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 1djg_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 0.000 176.662 176.600 0.103 0.000 1.382 200 E CA 0.000 56.432 56.400 0.053 0.000 0.976 200 E CB 0.000 29.708 29.700 0.014 0.000 0.812 201 I N 1.722 122.332 120.570 0.067 0.000 2.099 201 I HA 0.213 4.383 4.170 -0.000 0.000 0.239 201 I C 2.789 178.983 176.117 0.129 0.000 1.066 201 I CA 3.924 65.280 61.300 0.093 0.000 1.324 201 I CB -1.849 36.154 38.000 0.005 0.000 1.037 201 I HN 0.897 nan 8.210 nan 0.000 0.401 202 E N 0.441 120.671 120.200 0.049 0.000 2.058 202 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 202 E C 2.415 179.101 176.600 0.144 0.000 0.997 202 E CA 3.425 59.859 56.400 0.058 0.000 0.801 202 E CB -1.930 27.777 29.700 0.013 0.000 0.746 202 E HN 1.092 nan 8.360 nan 0.000 0.450 203 T N -0.008 114.619 114.554 0.122 0.000 2.505 203 T HA -0.138 4.212 4.350 -0.000 0.000 0.259 203 T C 1.891 176.699 174.700 0.180 0.000 1.158 203 T CA 2.540 64.717 62.100 0.129 0.000 1.190 203 T CB -0.682 68.257 68.868 0.117 0.000 0.864 203 T HN 0.350 nan 8.240 nan 0.000 0.413 204 F N 0.527 120.513 119.950 0.059 0.000 2.015 204 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 204 F C 2.322 178.181 175.800 0.098 0.000 1.141 204 F CA 2.184 60.219 58.000 0.059 0.000 1.192 204 F CB -1.058 37.969 39.000 0.046 0.000 0.957 204 F HN 0.428 nan 8.300 nan 0.000 0.491 205 Y N 1.040 121.372 120.300 0.054 0.000 2.002 205 Y HA -0.399 4.151 4.550 -0.000 0.000 0.268 205 Y C 2.488 178.338 175.900 -0.084 0.000 1.177 205 Y CA 2.871 60.949 58.100 -0.037 0.000 1.111 205 Y CB -0.533 37.953 38.460 0.043 0.000 0.952 205 Y HN 0.119 nan 8.280 nan 0.000 0.491 206 K N -0.537 119.998 120.400 0.224 0.000 2.097 206 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 206 K C 2.268 178.863 176.600 -0.008 0.000 1.050 206 K CA 1.659 58.002 56.287 0.093 0.000 0.938 206 K CB -0.258 32.322 32.500 0.135 0.000 0.718 206 K HN 0.445 nan 8.250 nan 0.000 0.442 207 M N 1.031 120.621 119.600 -0.016 0.000 2.175 207 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 207 M C 1.782 178.034 176.300 -0.079 0.000 1.063 207 M CA 1.319 56.597 55.300 -0.036 0.000 1.119 207 M CB 0.106 32.700 32.600 -0.011 0.000 1.377 207 M HN 0.083 nan 8.290 nan 0.000 0.415 208 L N -0.554 120.550 121.223 -0.198 0.000 2.017 208 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 208 L C 2.172 179.087 176.870 0.075 0.000 1.073 208 L CA 2.001 56.740 54.840 -0.168 0.000 0.745 208 L CB -1.679 40.086 42.059 -0.489 0.000 0.894 208 L HN 0.362 nan 8.230 nan 0.000 0.432 209 T N -1.463 113.061 114.554 -0.049 0.000 3.051 209 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 209 T C 1.048 175.708 174.700 -0.067 0.000 1.127 209 T CA 0.474 62.544 62.100 -0.051 0.000 1.107 209 T CB -0.203 68.588 68.868 -0.128 0.000 0.898 209 T HN 0.286 nan 8.240 nan 0.000 0.517 210 Q N 1.668 121.437 119.800 -0.052 0.000 2.304 210 Q HA 0.220 4.560 4.340 -0.000 0.000 0.260 210 Q C -0.479 175.473 176.000 -0.079 0.000 0.965 210 Q CA 0.011 55.778 55.803 -0.059 0.000 0.898 210 Q CB 0.477 29.194 28.738 -0.036 0.000 1.196 210 Q HN 0.345 nan 8.270 nan 0.000 0.402 211 R N 2.688 123.132 120.500 -0.093 0.000 2.472 211 R HA 0.295 4.635 4.340 -0.000 0.000 0.294 211 R C 0.233 176.490 176.300 -0.072 0.000 1.243 211 R CA -0.201 55.835 56.100 -0.107 0.000 1.023 211 R CB 1.177 31.375 30.300 -0.170 0.000 1.157 211 R HN 0.721 nan 8.270 nan 0.000 0.530 212 A N 2.986 125.783 122.820 -0.038 0.000 1.940 212 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 212 A C 2.042 179.636 177.584 0.018 0.000 1.176 212 A CA 1.704 53.736 52.037 -0.007 0.000 0.631 212 A CB -0.166 18.837 19.000 0.004 0.000 0.814 212 A HN 0.795 nan 8.150 nan 0.000 0.446 213 E N 0.259 120.475 120.200 0.027 0.000 2.118 213 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 213 E C 1.805 178.454 176.600 0.081 0.000 0.992 213 E CA 1.460 57.924 56.400 0.107 0.000 0.804 213 E CB -0.601 29.219 29.700 0.201 0.000 0.741 213 E HN 0.490 nan 8.360 nan 0.000 0.458 214 I N 2.457 122.996 120.570 -0.052 0.000 2.233 214 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 214 I C 1.860 178.027 176.117 0.083 0.000 1.093 214 I CA 1.216 62.493 61.300 -0.039 0.000 1.380 214 I CB -1.226 36.693 38.000 -0.135 0.000 1.067 214 I HN 0.020 nan 8.210 nan 0.000 0.413 215 D N 0.658 121.073 120.400 0.025 0.000 2.103 215 D HA -0.202 4.438 4.640 -0.000 0.000 0.190 215 D C 2.353 178.696 176.300 0.072 0.000 0.997 215 D CA 1.217 55.239 54.000 0.036 0.000 0.833 215 D CB -0.294 40.511 40.800 0.009 0.000 0.961 215 D HN 0.199 nan 8.370 nan 0.000 0.447 216 R N 0.254 120.793 120.500 0.064 0.000 2.094 216 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 216 R C 2.263 178.597 176.300 0.057 0.000 1.137 216 R CA 1.502 57.642 56.100 0.066 0.000 0.943 216 R CB -0.419 29.933 30.300 0.086 0.000 0.850 216 R HN 0.154 nan 8.270 nan 0.000 0.433 217 A N 0.398 123.259 122.820 0.068 0.000 1.917 217 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 217 A C 1.988 179.523 177.584 -0.082 0.000 1.182 217 A CA 1.551 53.587 52.037 -0.001 0.000 0.633 217 A CB -0.753 18.216 19.000 -0.051 0.000 0.819 217 A HN 0.447 nan 8.150 nan 0.000 0.448 218 F N 0.617 120.372 119.950 -0.325 0.000 2.084 218 F HA -0.110 4.417 4.527 -0.000 0.000 0.296 218 F C 2.219 177.754 175.800 -0.441 0.000 1.111 218 F CA 2.079 59.608 58.000 -0.784 0.000 1.224 218 F CB -0.453 38.179 39.000 -0.614 0.000 0.991 218 F HN 0.369 nan 8.300 nan 0.000 0.471 219 E N -0.037 120.098 120.200 -0.110 0.000 2.065 219 E HA -0.268 4.082 4.350 -0.000 0.000 0.201 219 E C 2.100 178.598 176.600 -0.171 0.000 1.016 219 E CA 1.767 58.098 56.400 -0.115 0.000 0.818 219 E CB -0.238 29.458 29.700 -0.006 0.000 0.749 219 E HN 0.437 nan 8.360 nan 0.000 0.453 220 E N 0.522 120.661 120.200 -0.102 0.000 2.038 220 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 220 E C 2.110 178.654 176.600 -0.093 0.000 1.000 220 E CA 1.282 57.658 56.400 -0.039 0.000 0.803 220 E CB -0.633 29.108 29.700 0.069 0.000 0.750 220 E HN 0.306 nan 8.360 nan 0.000 0.448 221 A N 1.534 124.237 122.820 -0.195 0.000 1.883 221 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 221 A C 2.373 179.731 177.584 -0.376 0.000 1.186 221 A CA 2.570 54.457 52.037 -0.249 0.000 0.624 221 A CB -0.587 18.073 19.000 -0.568 0.000 0.822 221 A HN 0.298 nan 8.150 nan 0.000 0.444 222 A N -2.120 120.326 122.820 -0.624 0.000 2.095 222 A HA 0.449 4.769 4.320 -0.000 0.000 0.212 222 A C 1.928 179.333 177.584 -0.299 0.000 1.162 222 A CA 1.316 53.014 52.037 -0.566 0.000 0.753 222 A CB -1.010 17.409 19.000 -0.969 0.000 0.840 222 A HN 1.995 nan 8.150 nan 0.000 0.468 223 G N 0.073 108.736 108.800 -0.229 0.000 2.561 223 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.289 223 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.289 223 G C 1.497 176.340 174.900 -0.096 0.000 1.169 223 G CA 1.699 46.725 45.100 -0.122 0.000 0.980 223 G HN 1.432 nan 8.290 nan 0.000 0.550 224 S N 0.904 116.564 115.700 -0.067 0.000 2.368 224 S HA 0.346 4.816 4.470 -0.000 0.000 0.225 224 S C 1.810 176.387 174.600 -0.039 0.000 1.030 224 S CA 1.961 60.136 58.200 -0.042 0.000 0.999 224 S CB -0.768 62.413 63.200 -0.031 0.000 0.844 224 S HN 2.297 nan 8.310 nan 0.000 0.459 225 A N 1.530 124.315 122.820 -0.059 0.000 2.492 225 A HA 0.209 4.529 4.320 -0.000 0.000 0.236 225 A C 0.867 178.444 177.584 -0.012 0.000 1.078 225 A CA -0.052 51.959 52.037 -0.044 0.000 0.773 225 A CB 0.010 18.970 19.000 -0.068 0.000 1.023 225 A HN 0.528 nan 8.150 nan 0.000 0.504 226 E N -0.477 119.746 120.200 0.039 0.000 2.463 226 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 226 E C -0.559 176.164 176.600 0.205 0.000 1.041 226 E CA 0.248 56.723 56.400 0.125 0.000 0.879 226 E CB 0.364 30.105 29.700 0.068 0.000 0.997 226 E HN 0.677 nan 8.360 nan 0.000 0.478 227 T N 0.060 114.679 114.554 0.109 0.000 2.900 227 T HA 0.387 4.737 4.350 -0.000 0.000 0.303 227 T C -0.834 173.845 174.700 -0.034 0.000 1.142 227 T CA -0.595 61.581 62.100 0.127 0.000 1.007 227 T CB 1.720 70.628 68.868 0.066 0.000 1.156 227 T HN -0.031 nan 8.240 nan 0.000 0.490 228 L N 3.015 124.225 121.223 -0.022 0.000 2.265 228 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 228 L C 0.828 177.669 176.870 -0.048 0.000 1.033 228 L CA -0.618 54.136 54.840 -0.144 0.000 0.814 228 L CB 1.340 43.284 42.059 -0.191 0.000 1.203 228 L HN 0.812 nan 8.230 nan 0.000 0.423 229 S N 2.227 117.893 115.700 -0.057 0.000 2.632 229 S HA 0.217 4.687 4.470 -0.000 0.000 0.267 229 S C 1.236 175.826 174.600 -0.017 0.000 1.276 229 S CA -0.901 57.283 58.200 -0.026 0.000 0.998 229 S CB 1.796 64.979 63.200 -0.028 0.000 0.953 229 S HN 0.312 nan 8.310 nan 0.000 0.547 230 V N 1.614 121.526 119.914 -0.003 0.000 2.252 230 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 230 V C 2.860 178.958 176.094 0.007 0.000 1.056 230 V CA 2.566 64.869 62.300 0.005 0.000 1.022 230 V CB -1.207 30.620 31.823 0.006 0.000 0.641 230 V HN 1.093 nan 8.190 nan 0.000 0.445 231 E N 0.022 120.223 120.200 0.001 0.000 2.085 231 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 231 E C 2.404 179.010 176.600 0.008 0.000 0.994 231 E CA 1.448 57.850 56.400 0.004 0.000 0.801 231 E CB -0.172 29.526 29.700 -0.004 0.000 0.743 231 E HN 0.509 nan 8.360 nan 0.000 0.453 232 R N 0.038 120.531 120.500 -0.011 0.000 2.115 232 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 232 R C 2.528 178.843 176.300 0.025 0.000 1.111 232 R CA 0.880 56.969 56.100 -0.018 0.000 0.976 232 R CB -0.441 29.809 30.300 -0.084 0.000 0.870 232 R HN 0.271 nan 8.270 nan 0.000 0.445 233 L N 0.791 122.028 121.223 0.023 0.000 2.027 233 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 233 L C 2.162 179.117 176.870 0.142 0.000 1.074 233 L CA 1.483 56.372 54.840 0.081 0.000 0.745 233 L CB -0.512 41.572 42.059 0.041 0.000 0.898 233 L HN -0.152 nan 8.230 nan 0.000 0.433 234 V N -0.507 119.456 119.914 0.082 0.000 2.392 234 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 234 V C 2.459 178.611 176.094 0.098 0.000 1.059 234 V CA 2.185 64.530 62.300 0.074 0.000 1.051 234 V CB -0.998 30.850 31.823 0.041 0.000 0.658 234 V HN 0.559 nan 8.190 nan 0.000 0.455 235 T N -0.090 114.526 114.554 0.103 0.000 2.788 235 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 235 T C 1.654 176.472 174.700 0.197 0.000 1.044 235 T CA 1.817 63.985 62.100 0.114 0.000 1.139 235 T CB -0.378 68.538 68.868 0.080 0.000 0.867 235 T HN 0.463 nan 8.240 nan 0.000 0.454 236 F N 2.015 122.016 119.950 0.086 0.000 2.075 236 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 236 F C 1.945 177.832 175.800 0.145 0.000 1.113 236 F CA 1.069 59.154 58.000 0.141 0.000 1.218 236 F CB -0.633 38.461 39.000 0.156 0.000 0.984 236 F HN 0.022 nan 8.300 nan 0.000 0.472 237 L N -0.268 121.054 121.223 0.165 0.000 2.081 237 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 237 L C 2.478 179.332 176.870 -0.028 0.000 1.080 237 L CA 1.870 56.731 54.840 0.034 0.000 0.754 237 L CB -0.790 41.317 42.059 0.079 0.000 0.893 237 L HN 0.307 nan 8.230 nan 0.000 0.433 238 Q N -1.326 118.486 119.800 0.021 0.000 2.036 238 Q HA -0.155 4.185 4.340 -0.000 0.000 0.195 238 Q C 2.291 178.315 176.000 0.040 0.000 0.971 238 Q CA 1.079 56.897 55.803 0.025 0.000 0.826 238 Q CB -0.021 28.746 28.738 0.049 0.000 0.896 238 Q HN 0.453 nan 8.270 nan 0.000 0.449 239 H N -1.033 118.006 119.070 -0.052 0.000 2.299 239 H HA -0.087 4.469 4.556 -0.000 0.000 0.302 239 H C 1.610 176.875 175.328 -0.105 0.000 1.078 239 H CA 1.262 57.279 56.048 -0.053 0.000 1.323 239 H CB 0.618 30.377 29.762 -0.006 0.000 1.381 239 H HN 0.217 nan 8.280 nan 0.000 0.498 240 Q N 0.154 119.781 119.800 -0.289 0.000 2.063 240 Q HA -0.050 4.290 4.340 -0.000 0.000 0.194 240 Q C 2.283 178.045 176.000 -0.396 0.000 0.974 240 Q CA 0.700 56.238 55.803 -0.442 0.000 0.827 240 Q CB -0.256 28.139 28.738 -0.572 0.000 0.902 240 Q HN 0.523 nan 8.270 nan 0.000 0.462 241 Q N 1.003 120.545 119.800 -0.431 0.000 2.488 241 Q HA 0.000 4.340 4.340 -0.000 0.000 0.211 241 Q C -0.061 175.847 176.000 -0.154 0.000 0.967 241 Q CA 0.173 55.828 55.803 -0.248 0.000 0.926 241 Q CB -0.035 28.614 28.738 -0.148 0.000 0.992 241 Q HN 0.372 nan 8.270 nan 0.000 0.506 242 R N 1.179 121.593 120.500 -0.143 0.000 3.484 242 R HA -0.147 4.193 4.340 -0.000 0.000 0.260 242 R C -0.692 175.571 176.300 -0.062 0.000 1.053 242 R CA 0.582 56.628 56.100 -0.089 0.000 0.703 242 R CB -2.251 27.988 30.300 -0.103 0.000 1.089 242 R HN 0.295 nan 8.270 nan 0.000 0.459 243 E N 1.244 121.418 120.200 -0.043 0.000 2.360 243 E HA 0.047 4.397 4.350 -0.000 0.000 0.269 243 E C 0.835 177.423 176.600 -0.019 0.000 1.022 243 E CA -0.084 56.301 56.400 -0.025 0.000 0.887 243 E CB 0.736 30.437 29.700 0.003 0.000 0.990 243 E HN 0.295 nan 8.360 nan 0.000 0.426 244 E N 1.424 121.610 120.200 -0.023 0.000 2.299 244 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 244 E C 0.534 177.130 176.600 -0.008 0.000 0.998 244 E CA 0.422 56.812 56.400 -0.016 0.000 0.851 244 E CB 0.344 30.031 29.700 -0.021 0.000 0.795 244 E HN 0.426 nan 8.360 nan 0.000 0.492 245 E N 0.430 120.626 120.200 -0.007 0.000 2.444 245 E HA 0.159 4.509 4.350 -0.000 0.000 0.191 245 E C -0.295 176.309 176.600 0.007 0.000 1.041 245 E CA -0.409 55.991 56.400 -0.001 0.000 0.883 245 E CB 0.699 30.398 29.700 -0.002 0.000 1.024 245 E HN 0.088 nan 8.360 nan 0.000 0.470 246 A N 1.405 124.230 122.820 0.008 0.000 2.566 246 A HA 0.397 4.717 4.320 -0.000 0.000 0.245 246 A C 0.655 178.248 177.584 0.016 0.000 1.056 246 A CA 1.045 53.092 52.037 0.016 0.000 0.757 246 A CB 0.168 19.178 19.000 0.018 0.000 0.979 246 A HN 0.283 nan 8.150 nan 0.000 0.508 247 G N 2.157 110.968 108.800 0.018 0.000 2.328 247 G HA2 0.462 4.422 3.960 -0.000 0.000 0.295 247 G HA3 0.462 4.422 3.960 -0.000 0.000 0.295 247 G C -2.485 172.424 174.900 0.015 0.000 1.413 247 G CA -0.030 45.079 45.100 0.015 0.000 0.817 247 G HN 0.259 nan 8.290 nan 0.000 0.546 248 P HA -0.146 nan 4.420 nan 0.000 0.216 248 P C 2.211 179.516 177.300 0.008 0.000 1.157 248 P CA 2.828 65.933 63.100 0.010 0.000 0.880 248 P CB 0.094 31.798 31.700 0.007 0.000 0.791 249 A N -0.806 122.018 122.820 0.007 0.000 1.873 249 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 249 A C 2.198 179.785 177.584 0.006 0.000 1.193 249 A CA 1.960 54.000 52.037 0.005 0.000 0.629 249 A CB -1.718 17.286 19.000 0.006 0.000 0.826 249 A HN 0.178 nan 8.150 nan 0.000 0.447 250 L N -0.313 120.916 121.223 0.010 0.000 1.976 250 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 250 L C 2.794 179.668 176.870 0.006 0.000 1.071 250 L CA 2.399 57.248 54.840 0.013 0.000 0.746 250 L CB -1.158 40.913 42.059 0.019 0.000 0.890 250 L HN 0.400 nan 8.230 nan 0.000 0.432 251 A N -0.596 122.227 122.820 0.005 0.000 1.896 251 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 251 A C 2.344 179.928 177.584 0.001 0.000 1.206 251 A CA 2.542 54.580 52.037 0.001 0.000 0.647 251 A CB -1.266 17.742 19.000 0.013 0.000 0.828 251 A HN 0.498 nan 8.150 nan 0.000 0.455 252 L N 0.444 121.668 121.223 0.002 0.000 2.083 252 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 252 L C 2.992 179.855 176.870 -0.012 0.000 1.083 252 L CA 2.262 57.101 54.840 -0.001 0.000 0.752 252 L CB -0.306 41.752 42.059 -0.002 0.000 0.899 252 L HN 0.599 nan 8.230 nan 0.000 0.433 253 S N -1.189 114.503 115.700 -0.015 0.000 2.383 253 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 253 S C 1.993 176.557 174.600 -0.060 0.000 1.026 253 S CA 1.064 59.243 58.200 -0.035 0.000 0.981 253 S CB -0.823 62.364 63.200 -0.021 0.000 0.818 253 S HN 0.406 nan 8.310 nan 0.000 0.472 254 L N 0.709 121.926 121.223 -0.010 0.000 2.046 254 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 254 L C 2.574 179.476 176.870 0.054 0.000 1.077 254 L CA 1.336 56.210 54.840 0.056 0.000 0.747 254 L CB -0.659 41.404 42.059 0.006 0.000 0.896 254 L HN 0.303 nan 8.230 nan 0.000 0.432 255 I N -0.204 120.382 120.570 0.027 0.000 2.202 255 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 255 I C 2.437 178.555 176.117 0.003 0.000 1.091 255 I CA 1.304 62.630 61.300 0.042 0.000 1.368 255 I CB -0.269 37.751 38.000 0.033 0.000 1.058 255 I HN 0.235 nan 8.210 nan 0.000 0.410 256 E N 0.393 120.572 120.200 -0.035 0.000 2.077 256 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 256 E C 2.285 178.822 176.600 -0.105 0.000 0.989 256 E CA 1.097 57.465 56.400 -0.053 0.000 0.800 256 E CB -0.126 29.542 29.700 -0.053 0.000 0.746 256 E HN 0.320 nan 8.360 nan 0.000 0.452 257 R N -0.453 119.915 120.500 -0.220 0.000 2.062 257 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 257 R C 1.315 177.357 176.300 -0.431 0.000 1.128 257 R CA 1.338 57.168 56.100 -0.450 0.000 0.960 257 R CB 0.087 29.872 30.300 -0.858 0.000 0.855 257 R HN 0.203 nan 8.270 nan 0.000 0.432 258 Y N -0.858 119.484 120.300 0.070 0.000 2.442 258 Y HA 0.253 4.803 4.550 -0.000 0.000 0.250 258 Y C 0.023 175.964 175.900 0.068 0.000 1.113 258 Y CA -0.540 57.610 58.100 0.082 0.000 1.273 258 Y CB 0.097 38.640 38.460 0.139 0.000 1.138 258 Y HN -0.062 nan 8.280 nan 0.000 0.522 259 E N 3.731 124.030 120.200 0.166 0.000 2.299 259 E HA 0.078 4.428 4.350 -0.000 0.000 0.272 259 E C -1.792 174.855 176.600 0.080 0.000 1.043 259 E CA -2.057 54.415 56.400 0.119 0.000 0.895 259 E CB 0.853 30.607 29.700 0.090 0.000 1.011 259 E HN 0.057 nan 8.360 nan 0.000 0.432 260 P HA -0.029 nan 4.420 nan 0.000 0.222 260 P C 0.075 177.395 177.300 0.033 0.000 1.157 260 P CA 0.200 63.329 63.100 0.048 0.000 0.816 260 P CB 0.296 32.021 31.700 0.042 0.000 0.813 261 S N 0.949 116.668 115.700 0.031 0.000 2.465 261 S HA 0.045 4.515 4.470 -0.000 0.000 0.280 261 S C 1.341 175.954 174.600 0.022 0.000 1.232 261 S CA -0.363 57.851 58.200 0.023 0.000 1.066 261 S CB 0.064 63.277 63.200 0.020 0.000 0.929 261 S HN -0.089 nan 8.310 nan 0.000 0.494 262 E N 3.882 124.092 120.200 0.017 0.000 2.118 262 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 262 E C 1.907 178.515 176.600 0.013 0.000 0.992 262 E CA 1.510 57.918 56.400 0.014 0.000 0.804 262 E CB -0.770 28.937 29.700 0.011 0.000 0.741 262 E HN 0.778 nan 8.360 nan 0.000 0.458 263 T N 1.309 115.870 114.554 0.013 0.000 2.614 263 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 263 T C 1.970 176.679 174.700 0.015 0.000 1.055 263 T CA 1.864 63.971 62.100 0.012 0.000 1.162 263 T CB -0.376 68.499 68.868 0.011 0.000 0.863 263 T HN 0.306 nan 8.240 nan 0.000 0.414 264 A N 1.353 124.184 122.820 0.020 0.000 1.940 264 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 264 A C 2.212 179.811 177.584 0.026 0.000 1.176 264 A CA 2.127 54.180 52.037 0.026 0.000 0.631 264 A CB -0.593 18.429 19.000 0.036 0.000 0.814 264 A HN 0.487 nan 8.150 nan 0.000 0.446 265 K N -0.517 119.898 120.400 0.025 0.000 1.978 265 K HA -0.115 4.205 4.320 -0.000 0.000 0.214 265 K C 2.281 178.890 176.600 0.014 0.000 1.049 265 K CA 1.350 57.650 56.287 0.021 0.000 0.939 265 K CB -0.396 32.115 32.500 0.018 0.000 0.721 265 K HN 0.371 nan 8.250 nan 0.000 0.441 266 A N 1.015 123.841 122.820 0.011 0.000 1.892 266 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 266 A C 1.785 179.373 177.584 0.008 0.000 1.188 266 A CA 1.702 53.744 52.037 0.007 0.000 0.631 266 A CB -0.550 18.454 19.000 0.007 0.000 0.822 266 A HN 0.516 nan 8.150 nan 0.000 0.447 267 Q N -1.522 118.284 119.800 0.010 0.000 2.373 267 Q HA 0.169 4.509 4.340 -0.000 0.000 0.206 267 Q C -0.371 175.635 176.000 0.010 0.000 0.942 267 Q CA -0.060 55.749 55.803 0.009 0.000 0.953 267 Q CB 0.086 28.830 28.738 0.009 0.000 1.022 267 Q HN 0.545 nan 8.270 nan 0.000 0.502 268 R N 1.076 121.583 120.500 0.012 0.000 3.336 268 R HA -0.198 4.142 4.340 -0.000 0.000 0.260 268 R C -0.919 175.392 176.300 0.017 0.000 1.032 268 R CA 0.625 56.732 56.100 0.013 0.000 0.693 268 R CB -1.394 28.911 30.300 0.008 0.000 1.134 268 R HN 0.385 nan 8.270 nan 0.000 0.433 269 Q N -0.292 119.523 119.800 0.026 0.000 2.495 269 Q HA 0.595 4.935 4.340 -0.000 0.000 0.287 269 Q C -0.747 175.287 176.000 0.058 0.000 1.078 269 Q CA -1.065 54.758 55.803 0.033 0.000 0.793 269 Q CB 2.454 31.210 28.738 0.030 0.000 1.459 269 Q HN 0.199 nan 8.270 nan 0.000 0.422 270 M N 1.754 121.404 119.600 0.082 0.000 2.243 270 M HA 0.390 4.870 4.480 -0.000 0.000 0.324 270 M C -0.727 175.695 176.300 0.202 0.000 1.031 270 M CA -0.346 55.037 55.300 0.138 0.000 0.949 270 M CB 1.731 34.431 32.600 0.165 0.000 1.615 270 M HN 0.861 nan 8.290 nan 0.000 0.430 271 T N 0.748 115.381 114.554 0.132 0.000 2.824 271 T HA 0.316 4.666 4.350 -0.000 0.000 0.277 271 T C 0.867 175.437 174.700 -0.216 0.000 0.975 271 T CA -0.696 61.423 62.100 0.032 0.000 0.966 271 T CB 1.254 70.105 68.868 -0.028 0.000 1.054 271 T HN 0.858 nan 8.240 nan 0.000 0.533 272 K N 0.009 119.923 120.400 -0.810 0.000 2.103 272 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 272 K C 1.532 177.917 176.600 -0.358 0.000 1.048 272 K CA 1.749 57.310 56.287 -1.209 0.000 0.930 272 K CB -0.277 31.568 32.500 -1.091 0.000 0.716 272 K HN 0.561 nan 8.250 nan 0.000 0.444 273 D N -0.479 119.796 120.400 -0.208 0.000 2.097 273 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 273 D C 1.812 178.120 176.300 0.013 0.000 0.989 273 D CA 1.490 55.444 54.000 -0.077 0.000 0.827 273 D CB -0.522 40.247 40.800 -0.052 0.000 0.966 273 D HN 0.438 nan 8.370 nan 0.000 0.456 274 G N -0.156 108.682 108.800 0.063 0.000 2.432 274 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 274 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 274 G C 1.468 176.517 174.900 0.248 0.000 1.135 274 G CA 0.217 45.412 45.100 0.158 0.000 0.767 274 G HN 0.186 nan 8.290 nan 0.000 0.550 275 F N 1.011 120.999 119.950 0.063 0.000 2.046 275 F HA -0.052 4.475 4.527 0.000 0.000 0.297 275 F C 2.344 178.207 175.800 0.105 0.000 1.123 275 F CA 1.293 59.374 58.000 0.135 0.000 1.199 275 F CB -0.578 38.496 39.000 0.122 0.000 0.972 275 F HN 0.114 nan 8.300 nan 0.000 0.474 276 L N 0.345 121.608 121.223 0.067 0.000 2.013 276 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 276 L C 2.301 179.092 176.870 -0.132 0.000 1.073 276 L CA 2.002 56.780 54.840 -0.103 0.000 0.753 276 L CB -0.881 41.123 42.059 -0.090 0.000 0.890 276 L HN 0.221 nan 8.230 nan 0.000 0.432 277 M N -1.797 117.765 119.600 -0.063 0.000 2.108 277 M HA -0.251 4.229 4.480 -0.000 0.000 0.261 277 M C 2.373 178.495 176.300 -0.297 0.000 1.066 277 M CA 1.986 57.223 55.300 -0.106 0.000 1.107 277 M CB -1.028 31.589 32.600 0.029 0.000 1.356 277 M HN 0.481 nan 8.290 nan 0.000 0.406 278 Y N 1.418 121.502 120.300 -0.360 0.000 2.145 278 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 278 Y C 1.964 177.631 175.900 -0.389 0.000 1.145 278 Y CA 1.497 59.237 58.100 -0.600 0.000 1.148 278 Y CB -0.742 37.633 38.460 -0.141 0.000 0.981 278 Y HN 0.079 nan 8.280 nan 0.000 0.507 279 L N -0.058 120.796 121.223 -0.615 0.000 2.191 279 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 279 L C 1.926 178.720 176.870 -0.127 0.000 1.103 279 L CA 1.071 55.599 54.840 -0.519 0.000 0.769 279 L CB -0.344 41.529 42.059 -0.310 0.000 0.908 279 L HN 0.338 nan 8.230 nan 0.000 0.438 280 L N -1.273 119.824 121.223 -0.209 0.000 2.607 280 L HA 0.087 4.427 4.340 -0.000 0.000 0.228 280 L C 1.416 178.227 176.870 -0.097 0.000 1.123 280 L CA -0.308 54.425 54.840 -0.179 0.000 0.890 280 L CB 0.104 41.993 42.059 -0.283 0.000 1.103 280 L HN 0.224 nan 8.230 nan 0.000 0.468 281 S N -0.649 114.906 115.700 -0.240 0.000 2.686 281 S HA 0.434 4.904 4.470 -0.000 0.000 0.270 281 S C 1.447 176.030 174.600 -0.029 0.000 1.194 281 S CA -0.049 58.041 58.200 -0.183 0.000 0.990 281 S CB 1.562 64.449 63.200 -0.522 0.000 1.029 281 S HN 0.077 nan 8.310 nan 0.000 0.560 282 A N 0.173 123.027 122.820 0.057 0.000 2.024 282 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 282 A C 1.736 179.378 177.584 0.098 0.000 1.164 282 A CA 1.702 53.797 52.037 0.098 0.000 0.643 282 A CB -0.999 18.068 19.000 0.113 0.000 0.806 282 A HN 0.880 nan 8.150 nan 0.000 0.451 283 D N -0.964 119.501 120.400 0.108 0.000 2.249 283 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 283 D C 1.803 178.095 176.300 -0.013 0.000 0.962 283 D CA 1.169 55.266 54.000 0.161 0.000 0.860 283 D CB -0.050 41.009 40.800 0.431 0.000 0.955 283 D HN 0.490 nan 8.370 nan 0.000 0.505 284 G N 0.320 108.964 108.800 -0.259 0.000 3.042 284 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.212 284 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.212 284 G C 0.794 175.587 174.900 -0.178 0.000 1.166 284 G CA -0.271 44.574 45.100 -0.425 0.000 0.767 284 G HN 0.028 nan 8.290 nan 0.000 0.546 285 N N 1.150 119.815 118.700 -0.059 0.000 2.492 285 N HA 0.196 4.936 4.740 -0.000 0.000 0.262 285 N C 1.519 177.000 175.510 -0.048 0.000 1.202 285 N CA 0.426 53.464 53.050 -0.021 0.000 0.926 285 N CB 1.511 40.078 38.487 0.133 0.000 1.078 285 N HN 0.011 nan 8.380 nan 0.000 0.454 286 A N 4.122 126.875 122.820 -0.112 0.000 2.121 286 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 286 A C 0.684 178.245 177.584 -0.037 0.000 1.154 286 A CA 0.608 52.567 52.037 -0.130 0.000 0.679 286 A CB -0.328 18.529 19.000 -0.239 0.000 0.795 286 A HN 0.602 nan 8.150 nan 0.000 0.458 287 F N 1.184 121.091 119.950 -0.072 0.000 2.371 287 F HA 0.426 4.953 4.527 -0.000 0.000 0.363 287 F C 0.893 176.687 175.800 -0.011 0.000 1.122 287 F CA -1.205 56.784 58.000 -0.018 0.000 1.129 287 F CB 0.672 39.683 39.000 0.019 0.000 1.173 287 F HN -0.001 nan 8.300 nan 0.000 0.489 288 S N 6.527 122.289 115.700 0.103 0.000 2.998 288 S HA -0.102 4.368 4.470 -0.000 0.000 0.348 288 S C 1.422 176.134 174.600 0.186 0.000 1.210 288 S CA -0.421 57.812 58.200 0.055 0.000 1.118 288 S CB -0.162 62.938 63.200 -0.166 0.000 0.832 288 S HN 0.823 nan 8.310 nan 0.000 0.516 289 L N 6.599 127.884 121.223 0.102 0.000 2.079 289 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 289 L C 2.450 179.339 176.870 0.033 0.000 1.081 289 L CA 2.583 57.478 54.840 0.093 0.000 0.752 289 L CB -1.343 40.762 42.059 0.076 0.000 0.896 289 L HN 0.855 nan 8.230 nan 0.000 0.433 290 A N -1.515 121.245 122.820 -0.100 0.000 1.972 290 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 290 A C 2.009 179.472 177.584 -0.203 0.000 1.169 290 A CA 1.867 53.789 52.037 -0.193 0.000 0.635 290 A CB -1.082 17.703 19.000 -0.358 0.000 0.810 290 A HN 0.755 nan 8.150 nan 0.000 0.446 291 H N -1.543 117.453 119.070 -0.124 0.000 2.539 291 H HA 0.161 4.717 4.556 -0.000 0.000 0.267 291 H C 1.128 176.606 175.328 0.250 0.000 0.982 291 H CA -0.075 55.904 56.048 -0.113 0.000 1.146 291 H CB 0.181 29.902 29.762 -0.068 0.000 1.382 291 H HN 0.358 nan 8.280 nan 0.000 0.577 292 R N 1.422 122.097 120.500 0.291 0.000 2.555 292 R HA 0.113 4.452 4.340 -0.000 0.000 0.272 292 R C -0.149 176.261 176.300 0.183 0.000 1.089 292 R CA -0.060 56.163 56.100 0.206 0.000 1.126 292 R CB 0.096 30.450 30.300 0.090 0.000 1.250 292 R HN 0.350 nan 8.270 nan 0.000 0.551 293 R N -2.387 118.265 120.500 0.252 0.000 2.668 293 R HA 0.302 4.642 4.340 -0.000 0.000 0.272 293 R C -0.959 175.539 176.300 0.331 0.000 1.019 293 R CA -0.944 55.293 56.100 0.229 0.000 0.894 293 R CB 1.071 31.475 30.300 0.172 0.000 1.228 293 R HN -0.217 nan 8.270 nan 0.000 0.460 294 V N 3.826 123.892 119.914 0.252 0.000 2.475 294 V HA -0.041 4.079 4.120 -0.000 0.000 0.292 294 V C -0.108 176.130 176.094 0.241 0.000 1.003 294 V CA 0.606 63.033 62.300 0.210 0.000 1.120 294 V CB -0.793 31.145 31.823 0.191 0.000 0.937 294 V HN 0.907 nan 8.190 nan 0.000 0.476 295 Y N 1.855 122.225 120.300 0.118 0.000 2.610 295 Y HA 0.491 5.041 4.550 0.000 0.000 0.254 295 Y C 0.638 176.591 175.900 0.088 0.000 1.110 295 Y CA -0.766 57.400 58.100 0.111 0.000 1.238 295 Y CB -0.175 38.376 38.460 0.152 0.000 1.322 295 Y HN 0.473 nan 8.280 nan 0.000 0.547 296 Q N 1.253 120.739 119.800 -0.523 0.000 2.185 296 Q HA 0.128 4.468 4.340 -0.000 0.000 0.225 296 Q C -0.830 175.101 176.000 -0.115 0.000 0.983 296 Q CA -0.832 54.740 55.803 -0.384 0.000 0.950 296 Q CB 0.689 29.143 28.738 -0.473 0.000 1.176 296 Q HN 0.159 nan 8.270 nan 0.000 0.510 297 D N 1.256 121.627 120.400 -0.048 0.000 2.344 297 D HA 0.014 4.654 4.640 -0.000 0.000 0.253 297 D C -0.170 176.183 176.300 0.088 0.000 1.255 297 D CA 0.056 54.066 54.000 0.017 0.000 0.894 297 D CB 0.622 41.430 40.800 0.012 0.000 1.067 297 D HN 0.329 nan 8.370 nan 0.000 0.492 298 M N 2.565 122.176 119.600 0.018 0.000 2.631 298 M HA 0.109 4.589 4.480 -0.000 0.000 0.241 298 M C 0.058 176.339 176.300 -0.032 0.000 1.255 298 M CA -0.033 55.215 55.300 -0.087 0.000 0.983 298 M CB -0.155 32.323 32.600 -0.203 0.000 1.580 298 M HN 0.249 nan 8.290 nan 0.000 0.464 299 D N 0.265 120.703 120.400 0.063 0.000 2.462 299 D HA 0.166 4.806 4.640 -0.000 0.000 0.221 299 D C 0.278 176.591 176.300 0.023 0.000 1.173 299 D CA 0.181 54.194 54.000 0.022 0.000 0.831 299 D CB 0.912 41.717 40.800 0.007 0.000 1.001 299 D HN 0.412 nan 8.370 nan 0.000 0.499 300 Q N 0.792 120.666 119.800 0.124 0.000 2.241 300 Q HA 0.401 4.741 4.340 -0.000 0.000 0.262 300 Q C -2.565 173.435 176.000 0.000 0.000 1.014 300 Q CA -2.074 53.713 55.803 -0.026 0.000 0.885 300 Q CB 1.275 29.945 28.738 -0.114 0.000 1.311 300 Q HN -0.146 nan 8.270 nan 0.000 0.461 301 P HA -0.092 nan 4.420 nan 0.000 0.264 301 P C 0.480 177.813 177.300 0.056 0.000 1.183 301 P CA 0.425 63.400 63.100 -0.208 0.000 0.763 301 P CB 0.448 31.925 31.700 -0.370 0.000 0.807 302 L N 2.201 123.496 121.223 0.120 0.000 2.103 302 L HA -0.301 4.038 4.340 -0.000 0.000 0.215 302 L C 2.241 179.339 176.870 0.381 0.000 1.080 302 L CA 2.479 57.483 54.840 0.272 0.000 0.764 302 L CB -1.166 41.007 42.059 0.189 0.000 0.890 302 L HN 0.488 nan 8.230 nan 0.000 0.435 303 S N -1.992 113.873 115.700 0.275 0.000 2.493 303 S HA -0.207 4.263 4.470 -0.000 0.000 0.243 303 S C 1.491 176.278 174.600 0.310 0.000 0.991 303 S CA 0.941 59.312 58.200 0.285 0.000 0.957 303 S CB -0.726 62.629 63.200 0.259 0.000 0.756 303 S HN 0.588 nan 8.310 nan 0.000 0.521 304 H N -0.913 118.173 119.070 0.026 0.000 2.553 304 H HA 0.249 4.805 4.556 -0.000 0.000 0.265 304 H C -0.478 174.583 175.328 -0.445 0.000 0.964 304 H CA 0.005 55.903 56.048 -0.250 0.000 1.156 304 H CB 0.252 29.764 29.762 -0.417 0.000 1.411 304 H HN 0.467 nan 8.280 nan 0.000 0.558 305 Y N 0.420 120.806 120.300 0.143 0.000 2.509 305 Y HA 0.327 4.877 4.550 -0.000 0.000 0.341 305 Y C -0.031 175.918 175.900 0.081 0.000 1.038 305 Y CA -0.982 57.176 58.100 0.098 0.000 1.089 305 Y CB 1.496 40.085 38.460 0.215 0.000 1.241 305 Y HN -0.138 nan 8.280 nan 0.000 0.468 306 L N 2.651 123.966 121.223 0.154 0.000 2.350 306 L HA 0.546 4.886 4.340 -0.000 0.000 0.275 306 L C -0.762 176.261 176.870 0.255 0.000 1.099 306 L CA -0.861 54.051 54.840 0.120 0.000 0.808 306 L CB 0.877 42.806 42.059 -0.216 0.000 1.149 306 L HN 0.327 nan 8.230 nan 0.000 0.442 307 V N 1.562 121.591 119.914 0.192 0.000 2.555 307 V HA 0.205 4.325 4.120 -0.000 0.000 0.302 307 V C 0.180 176.094 176.094 -0.300 0.000 1.038 307 V CA -0.618 61.565 62.300 -0.194 0.000 0.887 307 V CB 1.877 33.582 31.823 -0.197 0.000 0.991 307 V HN 0.802 nan 8.190 nan 0.000 0.434 308 S N 3.465 118.602 115.700 -0.938 0.000 2.465 308 S HA 0.394 4.864 4.470 -0.000 0.000 0.280 308 S C 0.065 174.565 174.600 -0.167 0.000 1.232 308 S CA -0.281 57.394 58.200 -0.874 0.000 1.066 308 S CB -0.085 62.488 63.200 -1.045 0.000 0.929 308 S HN 0.831 nan 8.310 nan 0.000 0.494 309 S N 3.587 119.413 115.700 0.209 0.000 2.526 309 S HA 0.647 5.117 4.470 -0.000 0.000 0.293 309 S C -0.600 174.018 174.600 0.030 0.000 1.092 309 S CA -0.927 57.324 58.200 0.085 0.000 0.980 309 S CB 1.826 65.128 63.200 0.171 0.000 1.048 309 S HN 0.838 nan 8.310 nan 0.000 0.483 310 S N 1.254 116.829 115.700 -0.210 0.000 2.578 310 S HA 0.536 5.006 4.470 -0.000 0.000 0.301 310 S C -0.937 173.632 174.600 -0.052 0.000 1.091 310 S CA -0.717 57.317 58.200 -0.276 0.000 1.032 310 S CB 1.185 63.957 63.200 -0.712 0.000 1.064 310 S HN 0.845 nan 8.310 nan 0.000 0.508 311 H N 2.213 121.224 119.070 -0.099 0.000 2.459 311 H HA 0.308 4.864 4.556 -0.000 0.000 0.332 311 H C -0.474 174.750 175.328 -0.173 0.000 1.094 311 H CA -0.133 55.877 56.048 -0.063 0.000 1.224 311 H CB 0.412 30.179 29.762 0.007 0.000 1.449 311 H HN 0.872 nan 8.280 nan 0.000 0.484 312 N N 3.708 121.995 118.700 -0.688 0.000 2.705 312 N HA -0.171 4.569 4.740 -0.000 0.000 0.255 312 N C 0.936 175.942 175.510 -0.839 0.000 1.008 312 N CA 1.302 53.860 53.050 -0.820 0.000 0.742 312 N CB -1.271 36.557 38.487 -1.097 0.000 0.906 312 N HN 0.740 nan 8.380 nan 0.000 0.541 313 T N -1.586 112.647 114.554 -0.536 0.000 2.751 313 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 313 T C 1.564 175.748 174.700 -0.859 0.000 1.045 313 T CA 1.947 63.658 62.100 -0.647 0.000 1.142 313 T CB -0.440 68.030 68.868 -0.662 0.000 0.851 313 T HN 0.714 nan 8.240 nan 0.000 0.474 314 Y N 0.993 120.908 120.300 -0.642 0.000 2.483 314 Y HA 0.302 4.852 4.550 0.000 0.000 0.291 314 Y C 0.786 176.574 175.900 -0.187 0.000 1.143 314 Y CA -0.394 57.474 58.100 -0.387 0.000 1.289 314 Y CB -1.045 37.465 38.460 0.084 0.000 0.983 314 Y HN 0.138 nan 8.280 nan 0.000 0.556 315 L N 1.416 122.321 121.223 -0.531 0.000 2.371 315 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 315 L C 0.853 177.617 176.870 -0.177 0.000 1.124 315 L CA -0.309 54.362 54.840 -0.282 0.000 0.816 315 L CB 1.482 43.299 42.059 -0.402 0.000 1.129 315 L HN 0.256 nan 8.230 nan 0.000 0.448 316 L N 1.106 122.280 121.223 -0.082 0.000 2.575 316 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 316 L C 0.967 177.806 176.870 -0.052 0.000 1.075 316 L CA 0.382 55.185 54.840 -0.061 0.000 0.867 316 L CB 0.385 42.430 42.059 -0.023 0.000 1.097 316 L HN 0.749 nan 8.230 nan 0.000 0.485 317 E N -0.403 119.769 120.200 -0.047 0.000 4.551 317 E HA 0.098 4.448 4.350 -0.000 0.000 0.175 317 E C -0.876 175.698 176.600 -0.043 0.000 1.154 317 E CA -0.565 55.814 56.400 -0.035 0.000 0.860 317 E CB 0.171 29.864 29.700 -0.011 0.000 2.083 317 E HN 0.131 nan 8.360 nan 0.000 0.446 318 D N 0.207 120.596 120.400 -0.018 0.000 2.393 318 D HA -0.023 4.617 4.640 -0.000 0.000 0.246 318 D C 0.659 176.943 176.300 -0.028 0.000 1.275 318 D CA -0.085 53.906 54.000 -0.015 0.000 0.979 318 D CB 0.455 41.264 40.800 0.015 0.000 1.101 318 D HN 0.067 nan 8.370 nan 0.000 0.505 319 Q N -0.733 119.052 119.800 -0.025 0.000 2.356 319 Q HA 0.201 4.541 4.340 -0.000 0.000 0.205 319 Q C 1.566 177.656 176.000 0.150 0.000 0.901 319 Q CA 0.271 56.031 55.803 -0.071 0.000 0.938 319 Q CB 0.443 29.099 28.738 -0.138 0.000 1.081 319 Q HN 0.577 nan 8.270 nan 0.000 0.517 320 L N -0.345 120.976 121.223 0.163 0.000 2.349 320 L HA 0.099 4.439 4.340 -0.000 0.000 0.200 320 L C 1.613 178.645 176.870 0.270 0.000 1.064 320 L CA 1.562 56.545 54.840 0.239 0.000 0.821 320 L CB 0.181 42.347 42.059 0.179 0.000 1.027 320 L HN 0.156 nan 8.230 nan 0.000 0.476 321 T N -3.899 110.763 114.554 0.180 0.000 3.326 321 T HA 0.250 4.600 4.350 -0.000 0.000 0.302 321 T C 0.640 175.413 174.700 0.122 0.000 0.908 321 T CA 0.112 62.320 62.100 0.180 0.000 0.933 321 T CB 0.080 68.995 68.868 0.078 0.000 1.194 321 T HN 0.105 nan 8.240 nan 0.000 0.585 322 G N 2.577 111.437 108.800 0.099 0.000 2.621 322 G HA2 0.621 4.581 3.960 -0.000 0.000 0.271 322 G HA3 0.621 4.581 3.960 -0.000 0.000 0.271 322 G C -2.753 172.200 174.900 0.088 0.000 1.236 322 G CA -1.443 43.698 45.100 0.067 0.000 0.958 322 G HN 0.247 nan 8.290 nan 0.000 0.512 323 P HA 0.352 nan 4.420 nan 0.000 0.281 323 P C -0.724 176.635 177.300 0.098 0.000 1.264 323 P CA -0.376 62.772 63.100 0.080 0.000 0.824 323 P CB 1.793 33.525 31.700 0.053 0.000 1.092 324 S N -0.111 115.671 115.700 0.137 0.000 2.607 324 S HA 0.712 5.182 4.470 -0.000 0.000 0.303 324 S C -0.518 174.166 174.600 0.140 0.000 1.086 324 S CA -0.427 57.890 58.200 0.195 0.000 0.995 324 S CB 1.302 64.687 63.200 0.307 0.000 1.084 324 S HN 0.661 nan 8.310 nan 0.000 0.507 325 S N -0.004 115.785 115.700 0.149 0.000 2.580 325 S HA 0.296 4.766 4.470 -0.000 0.000 0.281 325 S C 0.773 175.475 174.600 0.170 0.000 1.129 325 S CA -0.046 58.227 58.200 0.121 0.000 0.862 325 S CB 0.500 63.738 63.200 0.063 0.000 1.090 325 S HN 0.832 nan 8.310 nan 0.000 0.451 326 T N 0.773 115.421 114.554 0.157 0.000 2.881 326 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 326 T C 1.428 176.199 174.700 0.119 0.000 1.068 326 T CA 1.748 63.959 62.100 0.185 0.000 1.131 326 T CB -0.511 68.394 68.868 0.061 0.000 0.871 326 T HN 0.618 nan 8.240 nan 0.000 0.479 327 E N 2.280 122.508 120.200 0.045 0.000 2.118 327 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 327 E C 2.309 178.886 176.600 -0.038 0.000 0.992 327 E CA 1.421 57.810 56.400 -0.020 0.000 0.804 327 E CB -0.956 28.734 29.700 -0.017 0.000 0.741 327 E HN 0.635 nan 8.360 nan 0.000 0.458 328 A N -0.705 122.096 122.820 -0.031 0.000 1.978 328 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 328 A C 1.985 179.451 177.584 -0.196 0.000 1.170 328 A CA 1.608 53.568 52.037 -0.128 0.000 0.636 328 A CB -0.856 18.030 19.000 -0.191 0.000 0.810 328 A HN 0.434 nan 8.150 nan 0.000 0.448 329 Y N -0.603 119.643 120.300 -0.090 0.000 2.337 329 Y HA 0.032 4.582 4.550 0.000 0.000 0.293 329 Y C 2.148 177.949 175.900 -0.165 0.000 1.123 329 Y CA 1.010 59.040 58.100 -0.116 0.000 1.201 329 Y CB -0.215 38.192 38.460 -0.089 0.000 1.011 329 Y HN 0.209 nan 8.280 nan 0.000 0.545 330 I N -0.578 119.947 120.570 -0.076 0.000 2.202 330 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 330 I C 2.373 178.353 176.117 -0.228 0.000 1.091 330 I CA 1.176 62.278 61.300 -0.329 0.000 1.368 330 I CB -0.247 37.414 38.000 -0.565 0.000 1.058 330 I HN 0.028 nan 8.210 nan 0.000 0.410 331 R N 0.847 121.263 120.500 -0.140 0.000 2.080 331 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 331 R C 2.406 178.703 176.300 -0.005 0.000 1.137 331 R CA 1.918 57.981 56.100 -0.062 0.000 0.943 331 R CB -0.717 29.560 30.300 -0.037 0.000 0.846 331 R HN 0.409 nan 8.270 nan 0.000 0.431 332 A N 0.345 123.141 122.820 -0.040 0.000 1.908 332 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 332 A C 2.186 179.739 177.584 -0.053 0.000 1.181 332 A CA 1.408 53.405 52.037 -0.067 0.000 0.627 332 A CB -0.655 18.134 19.000 -0.353 0.000 0.818 332 A HN 0.273 nan 8.150 nan 0.000 0.445 333 L N -0.972 120.215 121.223 -0.059 0.000 2.056 333 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 333 L C 2.541 179.437 176.870 0.043 0.000 1.078 333 L CA 1.131 55.959 54.840 -0.020 0.000 0.749 333 L CB -0.468 41.595 42.059 0.005 0.000 0.901 333 L HN 0.483 nan 8.230 nan 0.000 0.433 334 C N -0.237 119.091 119.300 0.046 0.000 2.437 334 C HA -0.108 4.352 4.460 -0.000 0.000 0.283 334 C C 2.194 177.241 174.990 0.094 0.000 1.424 334 C CA 0.549 59.618 59.018 0.085 0.000 1.782 334 C CB -0.961 26.816 27.740 0.061 0.000 1.833 334 C HN 0.357 nan 8.230 nan 0.000 0.532 335 K N 0.192 120.665 120.400 0.121 0.000 2.437 335 K HA 0.247 4.567 4.320 -0.000 0.000 0.198 335 K C 1.373 178.089 176.600 0.192 0.000 1.024 335 K CA 0.625 57.014 56.287 0.171 0.000 1.148 335 K CB 0.086 32.742 32.500 0.260 0.000 0.860 335 K HN 0.470 nan 8.250 nan 0.000 0.515 336 G N 1.371 110.248 108.800 0.128 0.000 2.176 336 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.253 336 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.253 336 G C 0.348 175.256 174.900 0.014 0.000 0.979 336 G CA -0.050 45.102 45.100 0.087 0.000 0.641 336 G HN 0.441 nan 8.290 nan 0.000 0.530 337 C N 1.183 120.485 119.300 0.003 0.000 2.596 337 C HA 0.502 4.962 4.460 -0.000 0.000 0.414 337 C C 2.019 176.900 174.990 -0.181 0.000 1.396 337 C CA 0.326 59.240 59.018 -0.174 0.000 1.698 337 C CB 0.124 27.555 27.740 -0.515 0.000 2.572 337 C HN 0.491 nan 8.230 nan 0.000 0.604 338 R N 2.714 123.082 120.500 -0.220 0.000 2.167 338 R HA 0.141 4.481 4.340 -0.000 0.000 0.201 338 R C 0.617 176.854 176.300 -0.106 0.000 1.024 338 R CA 0.512 56.514 56.100 -0.164 0.000 1.053 338 R CB -0.597 29.529 30.300 -0.289 0.000 0.987 338 R HN 0.744 nan 8.270 nan 0.000 0.493 339 C N 2.933 122.163 119.300 -0.118 0.000 2.281 339 C HA 0.632 5.092 4.460 -0.000 0.000 0.323 339 C C -0.185 174.771 174.990 -0.057 0.000 1.270 339 C CA -0.760 58.235 59.018 -0.038 0.000 1.559 339 C CB -0.929 26.820 27.740 0.014 0.000 2.239 339 C HN 0.220 nan 8.230 nan 0.000 0.488 340 L N 4.946 126.164 121.223 -0.008 0.000 2.322 340 L HA 0.663 5.003 4.340 -0.000 0.000 0.269 340 L C -0.070 176.859 176.870 0.097 0.000 1.012 340 L CA -0.508 54.346 54.840 0.024 0.000 0.815 340 L CB 1.459 43.590 42.059 0.120 0.000 1.295 340 L HN 0.567 nan 8.230 nan 0.000 0.438 341 E N 1.914 122.187 120.200 0.121 0.000 2.187 341 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 341 E C -1.563 175.242 176.600 0.341 0.000 0.896 341 E CA -0.722 55.779 56.400 0.169 0.000 0.766 341 E CB 2.433 32.179 29.700 0.077 0.000 1.142 341 E HN 0.234 nan 8.360 nan 0.000 0.408 342 L N 3.160 124.563 121.223 0.300 0.000 2.372 342 L HA 0.308 4.648 4.340 -0.000 0.000 0.274 342 L C -0.943 176.080 176.870 0.256 0.000 0.988 342 L CA -0.561 54.477 54.840 0.330 0.000 0.833 342 L CB 1.525 43.736 42.059 0.252 0.000 1.236 342 L HN 0.361 nan 8.230 nan 0.000 0.410 343 D N 2.243 122.783 120.400 0.233 0.000 2.467 343 D HA 0.293 4.933 4.640 -0.000 0.000 0.220 343 D C -0.704 175.702 176.300 0.177 0.000 1.103 343 D CA -0.188 53.943 54.000 0.218 0.000 0.886 343 D CB 0.844 41.831 40.800 0.312 0.000 1.025 343 D HN 0.380 nan 8.370 nan 0.000 0.514 344 C N 2.835 122.153 119.300 0.029 0.000 2.415 344 C HA 0.540 5.000 4.460 -0.000 0.000 0.369 344 C C 0.016 174.810 174.990 -0.328 0.000 1.279 344 C CA -1.051 57.941 59.018 -0.043 0.000 1.886 344 C CB -1.106 26.549 27.740 -0.142 0.000 2.468 344 C HN 0.518 nan 8.230 nan 0.000 0.553 345 W N 0.502 121.829 121.300 0.045 0.000 2.882 345 W HA 0.402 5.062 4.660 -0.000 0.000 0.345 345 W C -0.389 176.141 176.519 0.018 0.000 1.125 345 W CA -0.565 56.810 57.345 0.050 0.000 1.167 345 W CB 0.561 30.091 29.460 0.117 0.000 1.431 345 W HN 0.444 nan 8.180 nan 0.000 0.543 346 D N 0.659 121.195 120.400 0.227 0.000 2.424 346 D HA 0.408 5.048 4.640 -0.000 0.000 0.244 346 D C 0.350 176.712 176.300 0.105 0.000 1.134 346 D CA 0.708 54.773 54.000 0.109 0.000 0.881 346 D CB 1.001 41.848 40.800 0.079 0.000 1.191 346 D HN 0.482 nan 8.370 nan 0.000 0.445 347 G N 1.493 110.328 108.800 0.059 0.000 2.714 347 G HA2 0.594 4.554 3.960 -0.000 0.000 0.292 347 G HA3 0.594 4.554 3.960 -0.000 0.000 0.292 347 G C -2.760 172.148 174.900 0.014 0.000 1.308 347 G CA -1.364 43.754 45.100 0.030 0.000 0.964 347 G HN 0.217 nan 8.290 nan 0.000 0.484 348 P HA 0.105 nan 4.420 nan 0.000 0.269 348 P C 0.300 177.606 177.300 0.010 0.000 1.217 348 P CA 0.222 63.321 63.100 -0.003 0.000 0.783 348 P CB 0.385 32.077 31.700 -0.013 0.000 0.898 349 N N 0.361 119.066 118.700 0.009 0.000 2.714 349 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 349 N C -0.256 175.268 175.510 0.023 0.000 1.117 349 N CA 0.977 54.036 53.050 0.015 0.000 0.719 349 N CB -1.314 37.184 38.487 0.019 0.000 1.081 349 N HN 0.348 nan 8.380 nan 0.000 0.557 350 Q N -1.931 117.880 119.800 0.019 0.000 2.481 350 Q HA -0.209 4.131 4.340 -0.000 0.000 0.272 350 Q C -1.382 174.645 176.000 0.045 0.000 1.157 350 Q CA 1.555 57.370 55.803 0.019 0.000 0.935 350 Q CB -0.948 27.795 28.738 0.008 0.000 1.338 350 Q HN 0.583 nan 8.270 nan 0.000 0.494 351 E N 0.403 120.639 120.200 0.060 0.000 2.145 351 E HA 0.370 4.720 4.350 -0.000 0.000 0.262 351 E C -2.433 174.216 176.600 0.082 0.000 0.883 351 E CA -2.144 54.319 56.400 0.105 0.000 0.748 351 E CB 1.215 30.972 29.700 0.096 0.000 1.140 351 E HN 0.005 nan 8.360 nan 0.000 0.417 352 P HA 0.116 nan 4.420 nan 0.000 0.269 352 P C 0.042 177.410 177.300 0.115 0.000 1.209 352 P CA 0.121 63.245 63.100 0.041 0.000 0.776 352 P CB 0.475 32.100 31.700 -0.124 0.000 0.876 353 I N -1.010 119.648 120.570 0.146 0.000 3.133 353 I HA 0.643 4.813 4.170 -0.000 0.000 0.311 353 I C -0.552 175.726 176.117 0.267 0.000 1.072 353 I CA -1.424 59.981 61.300 0.176 0.000 1.015 353 I CB 1.982 40.047 38.000 0.108 0.000 1.233 353 I HN 0.087 nan 8.210 nan 0.000 0.473 354 I N 2.602 123.308 120.570 0.227 0.000 2.498 354 I HA 0.532 4.702 4.170 -0.000 0.000 0.290 354 I C -1.174 174.992 176.117 0.081 0.000 1.032 354 I CA -0.587 60.807 61.300 0.157 0.000 1.073 354 I CB 1.993 40.043 38.000 0.084 0.000 1.251 354 I HN 0.783 nan 8.210 nan 0.000 0.426 355 Y N 4.073 124.183 120.300 -0.316 0.000 2.818 355 Y HA 0.345 4.895 4.550 -0.000 0.000 0.341 355 Y C -1.294 174.471 175.900 -0.225 0.000 1.283 355 Y CA -1.224 56.676 58.100 -0.334 0.000 1.075 355 Y CB 0.913 39.266 38.460 -0.178 0.000 1.370 355 Y HN 0.496 nan 8.280 nan 0.000 0.448 356 H N 1.535 120.431 119.070 -0.289 0.000 2.911 356 H HA 0.377 4.933 4.556 0.000 0.000 0.273 356 H C 0.415 175.315 175.328 -0.714 0.000 1.157 356 H CA -0.056 55.867 56.048 -0.209 0.000 1.402 356 H CB 0.420 30.270 29.762 0.148 0.000 1.463 356 H HN 1.128 nan 8.280 nan 0.000 0.475 357 G N 3.889 112.032 108.800 -1.095 0.000 2.109 357 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.249 357 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.249 357 G C -0.516 173.953 174.900 -0.719 0.000 1.126 357 G CA 0.323 44.584 45.100 -1.399 0.000 0.923 357 G HN 0.955 nan 8.290 nan 0.000 0.439 358 Y N -0.743 119.078 120.300 -0.799 0.000 4.644 358 Y HA -0.285 4.265 4.550 -0.000 0.000 0.241 358 Y C 1.415 177.117 175.900 -0.329 0.000 1.077 358 Y CA 1.181 59.015 58.100 -0.443 0.000 2.080 358 Y CB -2.434 35.849 38.460 -0.296 0.000 1.613 358 Y HN 1.138 nan 8.280 nan 0.000 0.686 359 T N -5.271 109.152 114.554 -0.218 0.000 2.669 359 T HA 0.709 5.059 4.350 -0.000 0.000 0.283 359 T C -0.140 174.494 174.700 -0.111 0.000 1.019 359 T CA -0.653 61.428 62.100 -0.031 0.000 1.039 359 T CB 0.834 69.806 68.868 0.174 0.000 1.374 359 T HN -0.113 nan 8.240 nan 0.000 0.523 360 F N 1.555 121.563 119.950 0.095 0.000 2.730 360 F HA 0.289 4.816 4.527 -0.000 0.000 0.295 360 F C 1.481 177.340 175.800 0.099 0.000 1.143 360 F CA -0.719 57.324 58.000 0.072 0.000 1.367 360 F CB -0.267 38.760 39.000 0.045 0.000 0.970 360 F HN 0.705 nan 8.300 nan 0.000 0.514 361 T N -1.447 113.289 114.554 0.303 0.000 2.901 361 T HA 0.252 4.602 4.350 -0.000 0.000 0.301 361 T C 0.684 175.516 174.700 0.220 0.000 1.012 361 T CA -0.642 61.622 62.100 0.274 0.000 1.135 361 T CB 1.124 70.189 68.868 0.328 0.000 0.936 361 T HN 0.279 nan 8.240 nan 0.000 0.539 362 S N 2.732 118.523 115.700 0.152 0.000 2.560 362 S HA 0.167 4.637 4.470 -0.000 0.000 0.276 362 S C -0.147 174.509 174.600 0.093 0.000 1.350 362 S CA -0.224 58.026 58.200 0.083 0.000 1.024 362 S CB -0.013 63.232 63.200 0.074 0.000 0.864 362 S HN 0.837 nan 8.310 nan 0.000 0.536 363 K N 0.913 121.317 120.400 0.006 0.000 2.238 363 K HA 0.808 5.128 4.320 -0.000 0.000 0.239 363 K C -0.276 176.347 176.600 0.038 0.000 0.987 363 K CA -0.761 55.526 56.287 -0.000 0.000 0.857 363 K CB 1.513 33.907 32.500 -0.177 0.000 1.154 363 K HN 0.789 nan 8.250 nan 0.000 0.439 364 I N -2.564 118.044 120.570 0.065 0.000 3.279 364 I HA 0.442 4.612 4.170 -0.000 0.000 0.315 364 I C -1.346 174.811 176.117 0.067 0.000 1.225 364 I CA -1.380 59.959 61.300 0.066 0.000 0.947 364 I CB 1.340 39.401 38.000 0.102 0.000 1.293 364 I HN 0.311 nan 8.210 nan 0.000 0.468 365 L N 1.908 123.158 121.223 0.044 0.000 2.312 365 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 365 L C 0.694 177.592 176.870 0.046 0.000 1.070 365 L CA -0.380 54.489 54.840 0.048 0.000 0.805 365 L CB 1.417 43.479 42.059 0.006 0.000 1.174 365 L HN 0.691 nan 8.230 nan 0.000 0.434 366 F N 3.076 122.983 119.950 -0.071 0.000 2.091 366 F HA -0.302 4.225 4.527 0.000 0.000 0.299 366 F C 2.512 178.192 175.800 -0.200 0.000 1.103 366 F CA 2.087 60.025 58.000 -0.103 0.000 1.228 366 F CB -0.033 38.936 39.000 -0.052 0.000 0.984 366 F HN 0.722 nan 8.300 nan 0.000 0.477 367 C N -0.107 119.054 119.300 -0.232 0.000 2.432 367 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 367 C C 2.444 177.261 174.990 -0.289 0.000 1.249 367 C CA 0.974 59.725 59.018 -0.445 0.000 1.725 367 C CB -1.472 25.886 27.740 -0.637 0.000 2.028 367 C HN 0.436 nan 8.230 nan 0.000 0.477 368 D N 1.220 121.508 120.400 -0.185 0.000 2.149 368 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 368 D C 2.342 178.537 176.300 -0.175 0.000 0.990 368 D CA 1.387 55.310 54.000 -0.127 0.000 0.839 368 D CB -0.438 40.323 40.800 -0.065 0.000 0.948 368 D HN 0.450 nan 8.370 nan 0.000 0.460 369 V N 0.727 120.484 119.914 -0.262 0.000 2.358 369 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 369 V C 2.540 178.366 176.094 -0.446 0.000 1.047 369 V CA 1.007 63.064 62.300 -0.406 0.000 1.035 369 V CB -0.332 31.156 31.823 -0.560 0.000 0.658 369 V HN 0.249 nan 8.190 nan 0.000 0.452 370 L N -0.682 120.265 121.223 -0.460 0.000 2.083 370 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 370 L C 2.757 179.508 176.870 -0.198 0.000 1.083 370 L CA 1.602 56.221 54.840 -0.368 0.000 0.752 370 L CB -0.570 41.254 42.059 -0.392 0.000 0.899 370 L HN 0.278 nan 8.230 nan 0.000 0.433 371 R N -0.072 120.336 120.500 -0.154 0.000 2.066 371 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 371 R C 2.490 178.779 176.300 -0.020 0.000 1.131 371 R CA 1.343 57.402 56.100 -0.068 0.000 0.955 371 R CB -0.513 29.757 30.300 -0.049 0.000 0.851 371 R HN 0.323 nan 8.270 nan 0.000 0.432 372 A N 1.178 123.981 122.820 -0.029 0.000 1.908 372 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 372 A C 2.172 179.808 177.584 0.087 0.000 1.181 372 A CA 1.405 53.479 52.037 0.061 0.000 0.627 372 A CB -0.552 18.445 19.000 -0.006 0.000 0.818 372 A HN 0.207 nan 8.150 nan 0.000 0.445 373 I N -0.919 119.617 120.570 -0.056 0.000 2.226 373 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 373 I C 2.704 178.820 176.117 -0.002 0.000 1.100 373 I CA 1.623 62.892 61.300 -0.051 0.000 1.374 373 I CB -0.274 37.634 38.000 -0.154 0.000 1.057 373 I HN 0.407 nan 8.210 nan 0.000 0.413 374 R N 1.012 121.505 120.500 -0.011 0.000 2.083 374 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 374 R C 1.673 177.997 176.300 0.041 0.000 1.137 374 R CA 2.210 58.323 56.100 0.021 0.000 0.951 374 R CB -0.316 29.986 30.300 0.003 0.000 0.851 374 R HN 0.311 nan 8.270 nan 0.000 0.434 375 D N -0.750 119.675 120.400 0.041 0.000 2.178 375 D HA -0.142 4.498 4.640 -0.000 0.000 0.202 375 D C 0.999 177.195 176.300 -0.174 0.000 0.974 375 D CA 1.283 55.249 54.000 -0.056 0.000 0.841 375 D CB -0.014 40.758 40.800 -0.048 0.000 0.953 375 D HN 0.397 nan 8.370 nan 0.000 0.478 376 Y N -0.092 120.204 120.300 -0.006 0.000 2.445 376 Y HA 0.395 4.945 4.550 -0.000 0.000 0.247 376 Y C 2.066 177.926 175.900 -0.067 0.000 1.129 376 Y CA -0.191 57.902 58.100 -0.012 0.000 1.251 376 Y CB 0.064 38.518 38.460 -0.009 0.000 1.176 376 Y HN -0.139 nan 8.280 nan 0.000 0.522 377 A N 0.244 123.051 122.820 -0.022 0.000 1.971 377 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 377 A C 1.142 178.332 177.584 -0.657 0.000 1.182 377 A CA 2.216 54.025 52.037 -0.381 0.000 0.649 377 A CB -0.955 17.732 19.000 -0.521 0.000 0.818 377 A HN 0.467 nan 8.150 nan 0.000 0.458 378 F N -1.846 118.129 119.950 0.041 0.000 2.724 378 F HA 0.271 4.798 4.527 -0.000 0.000 0.310 378 F C 1.416 177.229 175.800 0.022 0.000 1.107 378 F CA 0.007 58.022 58.000 0.025 0.000 1.218 378 F CB 0.245 39.238 39.000 -0.012 0.000 1.042 378 F HN 0.138 nan 8.300 nan 0.000 0.540 379 K N 1.568 122.046 120.400 0.129 0.000 2.103 379 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 379 K C 1.919 178.585 176.600 0.110 0.000 1.048 379 K CA 1.760 58.106 56.287 0.098 0.000 0.930 379 K CB -0.049 32.518 32.500 0.112 0.000 0.716 379 K HN 0.264 nan 8.250 nan 0.000 0.444 380 A N -0.345 122.545 122.820 0.117 0.000 2.220 380 A HA 0.178 4.498 4.320 -0.000 0.000 0.211 380 A C 0.513 178.180 177.584 0.137 0.000 1.176 380 A CA 0.313 52.419 52.037 0.115 0.000 0.834 380 A CB 0.325 19.389 19.000 0.106 0.000 0.868 380 A HN 0.261 nan 8.150 nan 0.000 0.488 381 S N -1.547 114.252 115.700 0.165 0.000 2.565 381 S HA 0.479 4.949 4.470 -0.000 0.000 0.274 381 S C -2.853 171.908 174.600 0.268 0.000 1.144 381 S CA -0.422 57.906 58.200 0.214 0.000 0.849 381 S CB 1.689 65.052 63.200 0.272 0.000 1.103 381 S HN -0.069 nan 8.310 nan 0.000 0.455 382 P HA 0.193 nan 4.420 nan 0.000 0.252 382 P C -0.138 177.110 177.300 -0.087 0.000 1.218 382 P CA 0.140 63.216 63.100 -0.039 0.000 0.807 382 P CB -0.023 31.460 31.700 -0.362 0.000 1.072 383 Y N 2.639 123.076 120.300 0.227 0.000 2.357 383 Y HA 0.187 4.737 4.550 -0.000 0.000 0.340 383 Y C -1.366 174.710 175.900 0.294 0.000 1.260 383 Y CA -2.434 55.741 58.100 0.125 0.000 1.425 383 Y CB -1.007 37.445 38.460 -0.013 0.000 1.326 383 Y HN -0.054 nan 8.280 nan 0.000 0.580 384 P HA -0.051 nan 4.420 nan 0.000 0.265 384 P C -0.743 176.747 177.300 0.316 0.000 1.187 384 P CA 0.261 63.552 63.100 0.319 0.000 0.766 384 P CB 0.653 32.459 31.700 0.176 0.000 0.820 385 V N 4.982 124.993 119.914 0.162 0.000 2.483 385 V HA 0.373 4.493 4.120 -0.000 0.000 0.295 385 V C 0.565 176.714 176.094 0.092 0.000 1.035 385 V CA -0.607 61.719 62.300 0.043 0.000 0.896 385 V CB 1.371 33.111 31.823 -0.138 0.000 0.986 385 V HN 0.363 nan 8.190 nan 0.000 0.447 386 I N 5.653 126.274 120.570 0.086 0.000 2.378 386 I HA 0.437 4.607 4.170 -0.000 0.000 0.291 386 I C -0.658 175.505 176.117 0.076 0.000 0.992 386 I CA -0.448 60.915 61.300 0.104 0.000 1.154 386 I CB 1.625 39.704 38.000 0.131 0.000 1.315 386 I HN 0.298 nan 8.210 nan 0.000 0.448 387 L N 5.198 126.469 121.223 0.080 0.000 2.272 387 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 387 L C 0.251 177.177 176.870 0.093 0.000 1.032 387 L CA -0.306 54.579 54.840 0.075 0.000 0.810 387 L CB 1.582 43.672 42.059 0.053 0.000 1.205 387 L HN 0.543 nan 8.230 nan 0.000 0.422 388 S N 4.913 120.673 115.700 0.100 0.000 2.411 388 S HA 0.508 4.978 4.470 -0.000 0.000 0.294 388 S C -0.324 174.337 174.600 0.101 0.000 1.115 388 S CA -0.604 57.653 58.200 0.095 0.000 1.071 388 S CB 0.084 63.340 63.200 0.094 0.000 0.967 388 S HN 0.410 nan 8.310 nan 0.000 0.488 389 L N 4.993 126.262 121.223 0.077 0.000 2.257 389 L HA 0.475 4.815 4.340 -0.000 0.000 0.290 389 L C 0.443 177.311 176.870 -0.004 0.000 1.044 389 L CA -0.338 54.542 54.840 0.067 0.000 0.810 389 L CB 1.156 43.250 42.059 0.059 0.000 1.193 389 L HN 0.649 nan 8.230 nan 0.000 0.425 390 E N 3.845 124.041 120.200 -0.006 0.000 2.070 390 E HA 0.099 4.449 4.350 -0.000 0.000 0.261 390 E C -0.657 175.785 176.600 -0.265 0.000 0.926 390 E CA -0.627 55.709 56.400 -0.106 0.000 0.760 390 E CB 0.728 30.455 29.700 0.044 0.000 1.133 390 E HN 0.453 nan 8.360 nan 0.000 0.420 391 N N 3.132 121.609 118.700 -0.371 0.000 2.437 391 N HA 0.073 4.813 4.740 -0.000 0.000 0.243 391 N C -0.815 174.291 175.510 -0.673 0.000 1.041 391 N CA -0.060 52.739 53.050 -0.419 0.000 0.940 391 N CB 0.519 38.841 38.487 -0.275 0.000 1.133 391 N HN 0.494 nan 8.380 nan 0.000 0.506 392 H N 0.849 119.515 119.070 -0.673 0.000 2.542 392 H HA 0.341 4.897 4.556 -0.000 0.000 0.283 392 H C -0.007 175.029 175.328 -0.486 0.000 1.059 392 H CA -0.355 55.214 56.048 -0.797 0.000 1.162 392 H CB 0.177 28.785 29.762 -1.923 0.000 1.539 392 H HN 0.394 nan 8.280 nan 0.000 0.543 393 C N 1.722 120.860 119.300 -0.271 0.000 2.459 393 C HA 0.371 4.831 4.460 -0.000 0.000 0.374 393 C C 1.147 176.070 174.990 -0.112 0.000 1.241 393 C CA -0.635 58.291 59.018 -0.154 0.000 2.352 393 C CB 0.517 28.154 27.740 -0.172 0.000 2.490 393 C HN 0.682 nan 8.230 nan 0.000 0.583 394 S N 2.623 118.285 115.700 -0.063 0.000 2.572 394 S HA 0.100 4.570 4.470 -0.000 0.000 0.267 394 S C 1.072 175.632 174.600 -0.066 0.000 1.361 394 S CA -0.227 57.944 58.200 -0.050 0.000 1.009 394 S CB 0.206 63.391 63.200 -0.026 0.000 0.888 394 S HN 0.636 nan 8.310 nan 0.000 0.553 395 L N 0.286 121.476 121.223 -0.055 0.000 2.042 395 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 395 L C 3.000 179.835 176.870 -0.059 0.000 1.076 395 L CA 2.091 56.897 54.840 -0.058 0.000 0.749 395 L CB -0.844 41.188 42.059 -0.046 0.000 0.893 395 L HN 0.827 nan 8.230 nan 0.000 0.432 396 E N 0.613 120.784 120.200 -0.048 0.000 2.012 396 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 396 E C 2.137 178.702 176.600 -0.060 0.000 1.007 396 E CA 1.687 58.059 56.400 -0.047 0.000 0.816 396 E CB -0.266 29.413 29.700 -0.034 0.000 0.762 396 E HN 0.372 nan 8.360 nan 0.000 0.451 397 Q N -0.218 119.546 119.800 -0.060 0.000 2.234 397 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 397 Q C 2.292 178.217 176.000 -0.125 0.000 0.980 397 Q CA 1.461 57.218 55.803 -0.077 0.000 0.869 397 Q CB -0.165 28.536 28.738 -0.063 0.000 0.912 397 Q HN 0.520 nan 8.270 nan 0.000 0.436 398 Q N 0.202 119.928 119.800 -0.125 0.000 2.084 398 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 398 Q C 2.097 178.026 176.000 -0.117 0.000 0.978 398 Q CA 0.926 56.641 55.803 -0.146 0.000 0.844 398 Q CB -0.071 28.594 28.738 -0.122 0.000 0.898 398 Q HN 0.354 nan 8.270 nan 0.000 0.426 399 R N 0.104 120.550 120.500 -0.090 0.000 2.081 399 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 399 R C 2.349 178.596 176.300 -0.088 0.000 1.131 399 R CA 1.347 57.401 56.100 -0.076 0.000 0.960 399 R CB -0.615 29.646 30.300 -0.064 0.000 0.856 399 R HN 0.115 nan 8.270 nan 0.000 0.436 400 V N 1.813 121.666 119.914 -0.101 0.000 2.332 400 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 400 V C 2.463 178.508 176.094 -0.082 0.000 1.055 400 V CA 1.853 64.072 62.300 -0.135 0.000 1.038 400 V CB -0.465 31.310 31.823 -0.081 0.000 0.651 400 V HN 0.306 nan 8.190 nan 0.000 0.450 401 M N -0.102 119.440 119.600 -0.098 0.000 2.080 401 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 401 M C 2.418 178.792 176.300 0.123 0.000 1.068 401 M CA 2.343 57.570 55.300 -0.122 0.000 1.109 401 M CB -0.658 31.653 32.600 -0.482 0.000 1.342 401 M HN 0.410 nan 8.290 nan 0.000 0.405 402 A N 0.337 123.167 122.820 0.018 0.000 1.933 402 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 402 A C 2.139 179.752 177.584 0.048 0.000 1.175 402 A CA 1.647 53.709 52.037 0.042 0.000 0.628 402 A CB -0.631 18.367 19.000 -0.004 0.000 0.814 402 A HN 0.443 nan 8.150 nan 0.000 0.444 403 R N -1.467 119.025 120.500 -0.013 0.000 2.073 403 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 403 R C 2.224 178.532 176.300 0.013 0.000 1.134 403 R CA 1.468 57.537 56.100 -0.053 0.000 0.952 403 R CB -0.541 29.660 30.300 -0.164 0.000 0.850 403 R HN 0.614 nan 8.270 nan 0.000 0.433 404 H N 0.839 119.974 119.070 0.108 0.000 2.352 404 H HA -0.106 4.450 4.556 0.000 0.000 0.299 404 H C 2.252 177.640 175.328 0.099 0.000 1.097 404 H CA 1.331 57.455 56.048 0.127 0.000 1.311 404 H CB -0.296 29.615 29.762 0.249 0.000 1.377 404 H HN 0.151 nan 8.280 nan 0.000 0.504 405 L N 0.066 121.455 121.223 0.278 0.000 1.989 405 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 405 L C 2.915 179.843 176.870 0.097 0.000 1.071 405 L CA 1.438 56.376 54.840 0.163 0.000 0.749 405 L CB -0.306 41.858 42.059 0.175 0.000 0.890 405 L HN 0.133 nan 8.230 nan 0.000 0.431 406 R N -0.703 119.847 120.500 0.084 0.000 2.075 406 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 406 R C 2.362 178.691 176.300 0.049 0.000 1.126 406 R CA 1.339 57.471 56.100 0.053 0.000 0.963 406 R CB -0.337 29.983 30.300 0.034 0.000 0.858 406 R HN 0.388 nan 8.270 nan 0.000 0.435 407 A N 0.695 123.552 122.820 0.061 0.000 1.898 407 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 407 A C 2.057 179.675 177.584 0.057 0.000 1.181 407 A CA 1.270 53.341 52.037 0.056 0.000 0.620 407 A CB -0.383 18.658 19.000 0.068 0.000 0.819 407 A HN 0.222 nan 8.150 nan 0.000 0.442 408 I N -0.659 119.953 120.570 0.069 0.000 2.296 408 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 408 I C 2.277 178.408 176.117 0.023 0.000 1.087 408 I CA 0.792 62.115 61.300 0.038 0.000 1.393 408 I CB -0.389 37.620 38.000 0.015 0.000 1.093 408 I HN 0.212 nan 8.210 nan 0.000 0.421 409 L N 0.603 121.842 121.223 0.026 0.000 2.141 409 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 409 L C 1.741 178.632 176.870 0.036 0.000 1.094 409 L CA 0.852 55.710 54.840 0.030 0.000 0.763 409 L CB -1.286 40.795 42.059 0.036 0.000 0.908 409 L HN 0.547 nan 8.230 nan 0.000 0.437 410 G N 0.767 109.587 108.800 0.033 0.000 2.596 410 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.295 410 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.295 410 G C -1.452 173.463 174.900 0.026 0.000 1.240 410 G CA 0.274 45.390 45.100 0.026 0.000 0.985 410 G HN 0.247 nan 8.290 nan 0.000 0.555 411 P HA 0.020 nan 4.420 nan 0.000 0.221 411 P C 1.943 179.254 177.300 0.018 0.000 1.145 411 P CA 1.539 64.646 63.100 0.011 0.000 0.795 411 P CB -0.106 31.593 31.700 -0.003 0.000 0.775 412 I N -1.358 119.231 120.570 0.031 0.000 2.394 412 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 412 I C 1.287 177.453 176.117 0.082 0.000 1.136 412 I CA 0.137 61.472 61.300 0.058 0.000 1.425 412 I CB -0.494 37.573 38.000 0.111 0.000 1.079 412 I HN -0.021 nan 8.210 nan 0.000 0.425 413 L N 1.937 123.201 121.223 0.070 0.000 2.455 413 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 413 L C -0.303 176.610 176.870 0.070 0.000 1.174 413 L CA 0.116 55.001 54.840 0.074 0.000 0.869 413 L CB 0.479 42.574 42.059 0.059 0.000 1.130 413 L HN 0.026 nan 8.230 nan 0.000 0.474 414 L N 5.698 126.974 121.223 0.089 0.000 2.278 414 L HA 0.365 4.705 4.340 -0.000 0.000 0.287 414 L C 0.279 177.190 176.870 0.068 0.000 1.072 414 L CA 0.327 55.223 54.840 0.093 0.000 0.819 414 L CB 0.379 42.525 42.059 0.145 0.000 1.176 414 L HN 0.851 nan 8.230 nan 0.000 0.435 415 D N 2.616 123.041 120.400 0.043 0.000 2.500 415 D HA 0.113 4.753 4.640 -0.000 0.000 0.217 415 D C -0.196 176.099 176.300 -0.008 0.000 1.159 415 D CA 0.004 54.014 54.000 0.016 0.000 0.828 415 D CB 0.455 41.264 40.800 0.015 0.000 1.039 415 D HN 0.442 nan 8.370 nan 0.000 0.512 416 Q N 0.541 120.341 119.800 0.000 0.000 2.379 416 Q HA 0.394 4.734 4.340 -0.000 0.000 0.278 416 Q C -2.837 173.156 176.000 -0.012 0.000 1.068 416 Q CA -1.699 54.090 55.803 -0.023 0.000 0.816 416 Q CB 2.865 31.600 28.738 -0.005 0.000 1.387 416 Q HN -0.028 nan 8.270 nan 0.000 0.413 417 P HA 0.106 nan 4.420 nan 0.000 0.269 417 P C -0.287 177.091 177.300 0.130 0.000 1.209 417 P CA 0.132 63.221 63.100 -0.018 0.000 0.776 417 P CB 0.485 32.147 31.700 -0.064 0.000 0.876 418 L N 1.433 122.815 121.223 0.266 0.000 2.453 418 L HA 0.223 4.563 4.340 -0.000 0.000 0.261 418 L C 0.840 177.777 176.870 0.112 0.000 1.179 418 L CA -0.412 54.520 54.840 0.154 0.000 0.813 418 L CB -0.073 42.063 42.059 0.128 0.000 1.110 418 L HN 0.265 nan 8.230 nan 0.000 0.466 419 D N 0.762 121.200 120.400 0.064 0.000 2.455 419 D HA 0.296 4.936 4.640 -0.000 0.000 0.241 419 D C 0.949 177.276 176.300 0.045 0.000 1.138 419 D CA 1.555 55.583 54.000 0.047 0.000 0.877 419 D CB 0.863 41.680 40.800 0.027 0.000 1.187 419 D HN 0.756 nan 8.370 nan 0.000 0.451 420 G N 1.786 110.612 108.800 0.044 0.000 2.187 420 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.261 420 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.261 420 G C 0.298 175.220 174.900 0.036 0.000 1.000 420 G CA 0.232 45.352 45.100 0.033 0.000 0.718 420 G HN 0.475 nan 8.290 nan 0.000 0.519 421 V N 1.893 121.856 119.914 0.082 0.000 2.267 421 V HA 0.434 4.554 4.120 -0.000 0.000 0.254 421 V C 1.424 177.611 176.094 0.155 0.000 1.144 421 V CA 0.880 63.241 62.300 0.102 0.000 0.992 421 V CB 0.080 32.038 31.823 0.225 0.000 1.199 421 V HN 0.692 nan 8.190 nan 0.000 0.493 422 T N -0.450 114.128 114.554 0.041 0.000 3.205 422 T HA -0.053 4.297 4.350 -0.000 0.000 0.238 422 T C 1.794 176.500 174.700 0.010 0.000 0.974 422 T CA 0.890 63.047 62.100 0.095 0.000 1.246 422 T CB -0.035 68.879 68.868 0.076 0.000 1.007 422 T HN 0.536 nan 8.240 nan 0.000 0.414 423 T N -0.299 114.171 114.554 -0.140 0.000 3.035 423 T HA 0.354 4.704 4.350 -0.000 0.000 0.259 423 T C 0.994 175.340 174.700 -0.590 0.000 1.078 423 T CA 0.099 62.101 62.100 -0.163 0.000 1.132 423 T CB -0.112 68.730 68.868 -0.043 0.000 0.900 423 T HN 0.324 nan 8.240 nan 0.000 0.480 424 S N -0.314 114.896 115.700 -0.816 0.000 2.709 424 S HA 0.695 5.165 4.470 -0.000 0.000 0.302 424 S C -0.676 173.388 174.600 -0.894 0.000 1.127 424 S CA -0.886 56.831 58.200 -0.806 0.000 0.905 424 S CB 1.472 64.470 63.200 -0.336 0.000 1.151 424 S HN 0.330 nan 8.310 nan 0.000 0.510 425 L N 2.905 123.903 121.223 -0.376 0.000 2.439 425 L HA 0.320 4.660 4.340 -0.000 0.000 0.269 425 L C -2.047 174.667 176.870 -0.259 0.000 1.179 425 L CA -1.635 53.132 54.840 -0.123 0.000 0.828 425 L CB 0.347 42.461 42.059 0.092 0.000 1.106 425 L HN 0.411 nan 8.230 nan 0.000 0.467 426 P HA 0.062 nan 4.420 nan 0.000 0.271 426 P C -0.869 176.308 177.300 -0.206 0.000 1.244 426 P CA -0.514 62.403 63.100 -0.305 0.000 0.793 426 P CB 0.540 31.997 31.700 -0.405 0.000 0.984 427 S N -0.236 115.366 115.700 -0.164 0.000 2.693 427 S HA 0.407 4.877 4.470 -0.000 0.000 0.276 427 S C -1.913 172.548 174.600 -0.231 0.000 1.192 427 S CA -1.303 56.805 58.200 -0.155 0.000 0.994 427 S CB 0.480 63.619 63.200 -0.102 0.000 1.012 427 S HN 0.177 nan 8.310 nan 0.000 0.550 428 P HA -0.057 nan 4.420 nan 0.000 0.217 428 P C 1.439 178.717 177.300 -0.037 0.000 1.150 428 P CA 0.981 63.799 63.100 -0.470 0.000 0.832 428 P CB 0.079 31.130 31.700 -1.081 0.000 0.787 429 E N -0.176 120.013 120.200 -0.018 0.000 2.051 429 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 429 E C 2.067 178.652 176.600 -0.026 0.000 0.991 429 E CA 1.312 57.747 56.400 0.058 0.000 0.799 429 E CB -0.582 29.136 29.700 0.029 0.000 0.748 429 E HN 0.391 nan 8.360 nan 0.000 0.449 430 Q N -0.196 119.571 119.800 -0.056 0.000 2.234 430 Q HA -0.075 4.265 4.340 -0.000 0.000 0.206 430 Q C 1.745 177.713 176.000 -0.053 0.000 0.980 430 Q CA 0.808 56.576 55.803 -0.058 0.000 0.869 430 Q CB 0.042 28.734 28.738 -0.077 0.000 0.912 430 Q HN 0.209 nan 8.270 nan 0.000 0.436 431 L N 0.058 121.244 121.223 -0.061 0.000 2.769 431 L HA 0.166 4.506 4.340 -0.000 0.000 0.240 431 L C 0.199 177.054 176.870 -0.026 0.000 1.163 431 L CA -0.318 54.504 54.840 -0.030 0.000 0.962 431 L CB 0.258 42.300 42.059 -0.028 0.000 1.258 431 L HN -0.044 nan 8.230 nan 0.000 0.513 432 K N 0.882 121.234 120.400 -0.079 0.000 2.561 432 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 432 K C 1.274 177.748 176.600 -0.211 0.000 0.975 432 K CA 1.070 57.247 56.287 -0.184 0.000 1.024 432 K CB 0.351 32.691 32.500 -0.266 0.000 0.883 432 K HN 0.305 nan 8.250 nan 0.000 0.496 433 G N 2.145 110.730 108.800 -0.358 0.000 2.175 433 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.265 433 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.265 433 G C -0.088 174.606 174.900 -0.343 0.000 0.979 433 G CA 0.529 45.180 45.100 -0.748 0.000 0.663 433 G HN 0.432 nan 8.290 nan 0.000 0.533 434 K N -0.230 120.197 120.400 0.044 0.000 2.166 434 K HA 0.763 5.083 4.320 -0.000 0.000 0.245 434 K C 0.236 177.031 176.600 0.325 0.000 0.967 434 K CA -0.967 55.419 56.287 0.165 0.000 0.863 434 K CB 1.573 34.137 32.500 0.107 0.000 1.107 434 K HN 0.211 nan 8.250 nan 0.000 0.436 435 I N 3.565 124.275 120.570 0.234 0.000 2.406 435 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 435 I C -0.293 175.909 176.117 0.141 0.000 0.999 435 I CA -0.954 60.449 61.300 0.172 0.000 1.124 435 I CB 1.079 39.152 38.000 0.122 0.000 1.289 435 I HN 0.294 nan 8.210 nan 0.000 0.441 436 L N 5.182 126.492 121.223 0.144 0.000 2.342 436 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 436 L C -0.990 175.958 176.870 0.131 0.000 1.008 436 L CA -0.939 53.992 54.840 0.151 0.000 0.818 436 L CB 1.637 43.819 42.059 0.206 0.000 1.296 436 L HN 0.394 nan 8.230 nan 0.000 0.427 437 L N 2.504 123.799 121.223 0.119 0.000 2.334 437 L HA 0.540 4.880 4.340 -0.000 0.000 0.277 437 L C 0.002 176.935 176.870 0.106 0.000 1.075 437 L CA -0.382 54.518 54.840 0.101 0.000 0.804 437 L CB 1.463 43.571 42.059 0.081 0.000 1.174 437 L HN 0.698 nan 8.230 nan 0.000 0.438 438 K N 1.958 122.416 120.400 0.097 0.000 2.324 438 K HA 0.785 5.105 4.320 -0.000 0.000 0.253 438 K C -0.672 175.962 176.600 0.057 0.000 0.932 438 K CA -0.277 56.065 56.287 0.092 0.000 0.799 438 K CB 2.274 34.838 32.500 0.106 0.000 1.154 438 K HN 0.828 nan 8.250 nan 0.000 0.425 439 G N 2.359 111.179 108.800 0.034 0.000 2.320 439 G HA2 0.115 4.075 3.960 -0.000 0.000 0.296 439 G HA3 0.115 4.075 3.960 -0.000 0.000 0.296 439 G C -1.617 173.266 174.900 -0.028 0.000 1.306 439 G CA -0.854 44.242 45.100 -0.007 0.000 0.836 439 G HN 0.412 nan 8.290 nan 0.000 0.517 440 K N 0.458 120.820 120.400 -0.063 0.000 2.270 440 K HA 0.353 4.673 4.320 -0.000 0.000 0.276 440 K C -0.319 176.248 176.600 -0.056 0.000 1.023 440 K CA -0.134 56.108 56.287 -0.076 0.000 0.955 440 K CB 1.767 34.203 32.500 -0.107 0.000 0.975 440 K HN 0.515 nan 8.250 nan 0.000 0.471 441 K N 3.349 123.721 120.400 -0.047 0.000 2.378 441 K HA 0.290 4.610 4.320 -0.000 0.000 0.252 441 K C -0.006 176.570 176.600 -0.041 0.000 0.931 441 K CA -0.622 55.642 56.287 -0.039 0.000 0.794 441 K CB 1.119 33.605 32.500 -0.025 0.000 1.181 441 K HN 0.442 nan 8.250 nan 0.000 0.425 488 L N 3.257 124.442 121.223 -0.064 0.000 2.349 488 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 488 L C -0.377 176.457 176.870 -0.060 0.000 0.996 488 L CA -0.960 53.837 54.840 -0.071 0.000 0.825 488 L CB 1.493 43.509 42.059 -0.072 0.000 1.243 488 L HN 0.050 nan 8.230 nan 0.000 0.412 489 V N 4.377 124.254 119.914 -0.062 0.000 2.811 489 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 489 V C -1.884 174.181 176.094 -0.048 0.000 1.063 489 V CA -0.773 61.495 62.300 -0.053 0.000 1.088 489 V CB 0.570 32.361 31.823 -0.054 0.000 0.982 489 V HN 0.785 nan 8.190 nan 0.000 0.485 490 P HA -0.056 nan 4.420 nan 0.000 0.217 490 P C 1.451 178.729 177.300 -0.036 0.000 1.150 490 P CA 1.382 64.459 63.100 -0.038 0.000 0.832 490 P CB 0.213 31.893 31.700 -0.034 0.000 0.787 491 E N -0.649 119.530 120.200 -0.035 0.000 2.114 491 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 491 E C 1.971 178.557 176.600 -0.024 0.000 1.008 491 E CA 1.173 57.555 56.400 -0.029 0.000 0.810 491 E CB -0.894 28.787 29.700 -0.032 0.000 0.739 491 E HN 0.224 nan 8.360 nan 0.000 0.456 492 L N -0.455 120.749 121.223 -0.032 0.000 2.084 492 L HA -0.074 4.266 4.340 -0.000 0.000 0.202 492 L C 2.491 179.345 176.870 -0.027 0.000 1.074 492 L CA 1.015 55.839 54.840 -0.027 0.000 0.757 492 L CB -0.459 41.572 42.059 -0.047 0.000 0.918 492 L HN 0.153 nan 8.230 nan 0.000 0.444 493 S N -0.117 115.560 115.700 -0.039 0.000 2.402 493 S HA -0.224 4.246 4.470 -0.000 0.000 0.233 493 S C 1.437 176.012 174.600 -0.040 0.000 1.030 493 S CA 1.783 59.959 58.200 -0.041 0.000 1.003 493 S CB -0.292 62.881 63.200 -0.045 0.000 0.813 493 S HN 0.386 nan 8.310 nan 0.000 0.477 494 D N 0.557 120.934 120.400 -0.038 0.000 2.347 494 D HA 0.072 4.712 4.640 -0.000 0.000 0.215 494 D C 1.531 177.808 176.300 -0.039 0.000 0.976 494 D CA 0.711 54.685 54.000 -0.042 0.000 0.884 494 D CB -0.186 40.592 40.800 -0.037 0.000 0.915 494 D HN 0.514 nan 8.370 nan 0.000 0.526 495 M N -0.032 119.556 119.600 -0.022 0.000 2.541 495 M HA 0.050 4.530 4.480 -0.000 0.000 0.252 495 M C -0.027 176.270 176.300 -0.006 0.000 1.125 495 M CA 0.168 55.465 55.300 -0.006 0.000 1.091 495 M CB 0.749 33.359 32.600 0.018 0.000 1.420 495 M HN -0.194 nan 8.290 nan 0.000 0.486 496 I N 1.440 121.999 120.570 -0.018 0.000 2.347 496 I HA 0.056 4.226 4.170 -0.000 0.000 0.294 496 I C 0.920 176.999 176.117 -0.063 0.000 1.090 496 I CA 0.334 61.627 61.300 -0.012 0.000 1.314 496 I CB -0.524 37.471 38.000 -0.008 0.000 1.423 496 I HN 0.268 nan 8.210 nan 0.000 0.503 497 I N 4.632 125.153 120.570 -0.081 0.000 2.962 497 I HA -0.088 4.082 4.170 -0.000 0.000 0.246 497 I C 1.042 176.960 176.117 -0.331 0.000 1.091 497 I CA 0.743 61.876 61.300 -0.278 0.000 1.469 497 I CB -0.063 37.705 38.000 -0.387 0.000 1.324 497 I HN 0.362 nan 8.210 nan 0.000 0.461 498 Y N 0.452 120.819 120.300 0.112 0.000 2.458 498 Y HA 0.238 4.788 4.550 0.000 0.000 0.256 498 Y C 0.461 176.480 175.900 0.199 0.000 1.159 498 Y CA -0.537 57.678 58.100 0.192 0.000 1.261 498 Y CB 0.372 38.972 38.460 0.232 0.000 1.119 498 Y HN 0.134 nan 8.280 nan 0.000 0.524 499 C N 1.472 120.931 119.300 0.264 0.000 3.164 499 C HA 0.299 4.759 4.460 -0.000 0.000 0.250 499 C C -0.054 175.019 174.990 0.137 0.000 1.151 499 C CA -1.582 57.560 59.018 0.208 0.000 1.449 499 C CB -0.627 27.230 27.740 0.196 0.000 1.825 499 C HN 0.189 nan 8.230 nan 0.000 0.478 500 K N 1.905 122.385 120.400 0.135 0.000 2.262 500 K HA 0.346 4.666 4.320 -0.000 0.000 0.282 500 K C 0.152 176.777 176.600 0.043 0.000 1.066 500 K CA 0.151 56.486 56.287 0.081 0.000 0.901 500 K CB 0.643 33.211 32.500 0.113 0.000 1.089 500 K HN 0.566 nan 8.250 nan 0.000 0.476 501 S N 2.185 117.888 115.700 0.006 0.000 2.552 501 S HA 0.100 4.570 4.470 -0.000 0.000 0.289 501 S C -0.451 174.102 174.600 -0.078 0.000 1.304 501 S CA -0.383 57.797 58.200 -0.032 0.000 1.063 501 S CB 0.651 63.808 63.200 -0.073 0.000 0.848 501 S HN 0.435 nan 8.310 nan 0.000 0.499 502 V N 3.560 123.426 119.914 -0.082 0.000 3.147 502 V HA 0.319 4.439 4.120 -0.000 0.000 0.306 502 V C -0.888 175.142 176.094 -0.107 0.000 1.209 502 V CA -0.963 61.273 62.300 -0.107 0.000 1.023 502 V CB 2.188 33.998 31.823 -0.021 0.000 1.059 502 V HN 0.780 nan 8.190 nan 0.000 0.435 503 H N 1.690 120.734 119.070 -0.043 0.000 2.525 503 H HA 0.343 4.899 4.556 -0.000 0.000 0.339 503 H C -0.389 174.903 175.328 -0.061 0.000 1.109 503 H CA -0.532 55.477 56.048 -0.065 0.000 1.352 503 H CB 1.121 30.840 29.762 -0.072 0.000 1.461 503 H HN 0.511 nan 8.280 nan 0.000 0.533 504 F N 2.684 122.547 119.950 -0.145 0.000 2.557 504 F HA 0.131 4.658 4.527 0.000 0.000 0.384 504 F C 1.089 176.777 175.800 -0.188 0.000 1.057 504 F CA -0.148 57.703 58.000 -0.248 0.000 1.169 504 F CB 0.227 38.984 39.000 -0.405 0.000 1.070 504 F HN 0.604 nan 8.300 nan 0.000 0.554 505 G N 3.596 111.936 108.800 -0.766 0.000 2.518 505 G HA2 0.439 4.399 3.960 -0.000 0.000 0.213 505 G HA3 0.439 4.399 3.960 -0.000 0.000 0.213 505 G C 0.443 174.494 174.900 -1.414 0.000 1.226 505 G CA 0.521 45.152 45.100 -0.782 0.000 0.822 505 G HN 1.246 nan 8.290 nan 0.000 0.546 506 G N -1.909 105.884 108.800 -1.678 0.000 2.315 506 G HA2 0.427 4.387 3.960 -0.000 0.000 0.294 506 G HA3 0.427 4.387 3.960 -0.000 0.000 0.294 506 G C -1.766 172.678 174.900 -0.760 0.000 1.300 506 G CA -1.007 43.213 45.100 -1.467 0.000 0.843 506 G HN 0.273 nan 8.290 nan 0.000 0.527 507 F N 1.271 121.228 119.950 0.011 0.000 2.388 507 F HA 0.761 5.288 4.527 0.000 0.000 0.358 507 F C 0.593 176.431 175.800 0.063 0.000 1.122 507 F CA -0.774 57.273 58.000 0.079 0.000 1.056 507 F CB 2.265 41.343 39.000 0.130 0.000 1.155 507 F HN 0.574 nan 8.300 nan 0.000 0.461 508 S N 1.447 117.282 115.700 0.226 0.000 2.550 508 S HA 0.295 4.765 4.470 -0.000 0.000 0.274 508 S C -0.368 174.323 174.600 0.152 0.000 1.110 508 S CA -0.522 57.768 58.200 0.151 0.000 1.013 508 S CB 1.266 64.510 63.200 0.074 0.000 1.152 508 S HN 0.448 nan 8.310 nan 0.000 0.450 509 S N 2.977 118.771 115.700 0.157 0.000 2.503 509 S HA 0.249 4.719 4.470 -0.000 0.000 0.217 509 S C -1.930 172.740 174.600 0.115 0.000 0.999 509 S CA -0.064 58.227 58.200 0.151 0.000 0.914 509 S CB -0.343 62.965 63.200 0.179 0.000 0.782 509 S HN 0.787 nan 8.310 nan 0.000 0.520 510 P HA 0.146 nan 4.420 nan 0.000 0.248 510 P C 0.868 178.213 177.300 0.075 0.000 1.550 510 P CA 0.660 63.807 63.100 0.078 0.000 1.252 510 P CB -0.788 30.950 31.700 0.064 0.000 1.869 511 G N 2.363 111.215 108.800 0.087 0.000 2.230 511 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.270 511 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.270 511 G C 0.283 175.225 174.900 0.071 0.000 0.987 511 G CA 1.035 46.186 45.100 0.085 0.000 0.664 511 G HN 0.672 nan 8.290 nan 0.000 0.539 512 T N -3.564 111.027 114.554 0.062 0.000 2.893 512 T HA 0.772 5.122 4.350 -0.000 0.000 0.293 512 T C 0.317 175.039 174.700 0.036 0.000 1.027 512 T CA 0.405 62.530 62.100 0.042 0.000 0.988 512 T CB 2.338 71.224 68.868 0.030 0.000 1.043 512 T HN 1.562 nan 8.240 nan 0.000 0.461 513 S N 1.458 117.164 115.700 0.011 0.000 4.157 513 S HA -0.155 4.315 4.470 -0.000 0.000 0.287 513 S C 1.110 175.710 174.600 -0.001 0.000 1.865 513 S CA 1.274 59.462 58.200 -0.020 0.000 4.248 513 S CB -1.942 61.242 63.200 -0.028 0.000 0.203 513 S HN 2.180 nan 8.310 nan 0.000 0.454 514 G N 3.960 112.803 108.800 0.072 0.000 2.239 514 G HA2 0.329 4.289 3.960 -0.000 0.000 0.278 514 G HA3 0.329 4.289 3.960 -0.000 0.000 0.278 514 G C 0.173 175.186 174.900 0.187 0.000 1.071 514 G CA 0.879 46.092 45.100 0.190 0.000 1.198 514 G HN 0.857 nan 8.290 nan 0.000 0.410 515 Q N 0.453 120.344 119.800 0.152 0.000 2.445 515 Q HA 0.060 4.400 4.340 -0.000 0.000 0.356 515 Q C 0.971 176.965 176.000 -0.010 0.000 1.335 515 Q CA 0.778 56.617 55.803 0.059 0.000 1.049 515 Q CB 0.046 28.826 28.738 0.070 0.000 1.273 515 Q HN 0.765 nan 8.270 nan 0.000 0.450 516 A N 0.904 123.568 122.820 -0.260 0.000 2.332 516 A HA 0.293 4.613 4.320 -0.000 0.000 0.258 516 A C 0.590 177.906 177.584 -0.446 0.000 1.087 516 A CA -0.160 51.603 52.037 -0.457 0.000 0.802 516 A CB -0.129 18.210 19.000 -1.102 0.000 1.042 516 A HN 0.799 nan 8.150 nan 0.000 0.489 517 F N 0.215 120.095 119.950 -0.118 0.000 2.236 517 F HA -0.257 4.270 4.527 -0.000 0.000 0.302 517 F C 1.260 177.108 175.800 0.080 0.000 1.073 517 F CA 1.609 59.630 58.000 0.035 0.000 1.336 517 F CB -1.091 37.989 39.000 0.135 0.000 1.040 517 F HN 0.587 nan 8.300 nan 0.000 0.507 518 Y N -0.145 119.729 120.300 -0.709 0.000 2.495 518 Y HA 0.520 5.070 4.550 -0.000 0.000 0.293 518 Y C -0.391 175.444 175.900 -0.107 0.000 1.186 518 Y CA -1.398 56.511 58.100 -0.319 0.000 1.266 518 Y CB -1.276 36.852 38.460 -0.552 0.000 1.101 518 Y HN 0.149 nan 8.280 nan 0.000 0.517 519 E N 2.065 122.057 120.200 -0.347 0.000 2.171 519 E HA 0.431 4.781 4.350 -0.000 0.000 0.271 519 E C -1.330 175.303 176.600 0.054 0.000 0.916 519 E CA -0.897 55.423 56.400 -0.134 0.000 0.774 519 E CB 2.237 31.791 29.700 -0.243 0.000 1.128 519 E HN 0.375 nan 8.360 nan 0.000 0.403 520 M N 2.671 122.335 119.600 0.108 0.000 2.190 520 M HA 0.563 5.043 4.480 -0.000 0.000 0.312 520 M C -1.497 174.906 176.300 0.171 0.000 0.990 520 M CA -0.428 54.981 55.300 0.181 0.000 0.927 520 M CB 1.322 34.033 32.600 0.186 0.000 1.571 520 M HN 0.624 nan 8.290 nan 0.000 0.427 521 A N 3.229 126.205 122.820 0.261 0.000 2.294 521 A HA 0.876 5.196 4.320 -0.000 0.000 0.330 521 A C -0.768 176.896 177.584 0.133 0.000 1.133 521 A CA -0.575 51.540 52.037 0.130 0.000 0.836 521 A CB 1.187 20.258 19.000 0.118 0.000 1.190 521 A HN 0.795 nan 8.150 nan 0.000 0.492 522 S N -0.440 115.209 115.700 -0.084 0.000 2.566 522 S HA 0.845 5.315 4.470 -0.000 0.000 0.298 522 S C -1.378 173.167 174.600 -0.091 0.000 1.083 522 S CA -0.180 58.100 58.200 0.133 0.000 0.978 522 S CB 0.843 64.116 63.200 0.121 0.000 1.073 522 S HN 0.451 nan 8.310 nan 0.000 0.491 523 F N 0.985 121.153 119.950 0.363 0.000 2.581 523 F HA 0.453 4.980 4.527 0.000 0.000 0.311 523 F C 0.653 176.405 175.800 -0.080 0.000 1.113 523 F CA -0.941 57.168 58.000 0.183 0.000 0.935 523 F CB 1.483 40.537 39.000 0.089 0.000 1.232 523 F HN 0.579 nan 8.300 nan 0.000 0.445 524 S N 0.431 116.031 115.700 -0.167 0.000 2.600 524 S HA 0.117 4.587 4.470 -0.000 0.000 0.265 524 S C 1.233 175.579 174.600 -0.425 0.000 1.325 524 S CA -0.096 57.636 58.200 -0.780 0.000 1.002 524 S CB 1.101 64.037 63.200 -0.438 0.000 0.921 524 S HN 0.890 nan 8.310 nan 0.000 0.554 525 E N 1.186 121.044 120.200 -0.571 0.000 2.097 525 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 525 E C 1.719 178.159 176.600 -0.266 0.000 1.000 525 E CA 1.796 57.870 56.400 -0.544 0.000 0.804 525 E CB -0.444 28.831 29.700 -0.708 0.000 0.740 525 E HN 0.748 nan 8.360 nan 0.000 0.454 526 S N 0.721 116.319 115.700 -0.170 0.000 2.343 526 S HA -0.189 4.281 4.470 -0.000 0.000 0.219 526 S C 2.006 176.587 174.600 -0.031 0.000 1.033 526 S CA 1.339 59.504 58.200 -0.059 0.000 1.014 526 S CB -0.477 62.715 63.200 -0.013 0.000 0.915 526 S HN 0.290 nan 8.310 nan 0.000 0.435 527 R N 1.433 121.928 120.500 -0.009 0.000 2.105 527 R HA -0.078 4.262 4.340 -0.000 0.000 0.239 527 R C 2.360 178.694 176.300 0.056 0.000 1.135 527 R CA 1.210 57.341 56.100 0.053 0.000 0.967 527 R CB -0.522 29.852 30.300 0.123 0.000 0.861 527 R HN 0.417 nan 8.270 nan 0.000 0.442 528 A N 0.984 123.828 122.820 0.041 0.000 1.858 528 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 528 A C 2.159 179.764 177.584 0.034 0.000 1.190 528 A CA 1.349 53.414 52.037 0.046 0.000 0.617 528 A CB -0.643 18.352 19.000 -0.008 0.000 0.827 528 A HN 0.335 nan 8.150 nan 0.000 0.443 529 L N -0.894 120.317 121.223 -0.020 0.000 2.042 529 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 529 L C 2.810 179.680 176.870 0.000 0.000 1.076 529 L CA 2.021 56.851 54.840 -0.017 0.000 0.749 529 L CB -0.556 41.483 42.059 -0.034 0.000 0.893 529 L HN 0.542 nan 8.230 nan 0.000 0.432 530 R N 0.859 121.361 120.500 0.003 0.000 2.070 530 R HA -0.180 4.160 4.340 -0.000 0.000 0.233 530 R C 2.353 178.661 176.300 0.012 0.000 1.137 530 R CA 1.568 57.672 56.100 0.007 0.000 0.945 530 R CB -0.400 29.908 30.300 0.014 0.000 0.845 530 R HN 0.246 nan 8.270 nan 0.000 0.430 531 L N 0.723 121.947 121.223 0.002 0.000 2.127 531 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 531 L C 2.412 179.306 176.870 0.039 0.000 1.089 531 L CA 1.114 55.941 54.840 -0.022 0.000 0.757 531 L CB -0.297 41.603 42.059 -0.264 0.000 0.899 531 L HN 0.314 nan 8.230 nan 0.000 0.434 532 L N -1.322 119.952 121.223 0.084 0.000 2.179 532 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 532 L C 2.692 179.558 176.870 -0.008 0.000 1.096 532 L CA 0.434 55.313 54.840 0.066 0.000 0.779 532 L CB -0.371 41.708 42.059 0.033 0.000 0.922 532 L HN 0.273 nan 8.230 nan 0.000 0.443 533 Q N 0.767 120.562 119.800 -0.007 0.000 1.993 533 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 533 Q C 1.978 177.964 176.000 -0.023 0.000 0.984 533 Q CA 1.934 57.723 55.803 -0.023 0.000 0.837 533 Q CB 0.027 28.756 28.738 -0.014 0.000 0.902 533 Q HN 0.535 nan 8.270 nan 0.000 0.423 534 E N -1.066 119.132 120.200 -0.004 0.000 2.060 534 E HA 0.008 4.358 4.350 -0.000 0.000 0.189 534 E C 2.094 178.698 176.600 0.006 0.000 0.974 534 E CA 1.067 57.469 56.400 0.003 0.000 0.808 534 E CB 0.142 29.855 29.700 0.022 0.000 0.768 534 E HN 0.147 nan 8.360 nan 0.000 0.453 535 S N -0.721 114.992 115.700 0.021 0.000 2.398 535 S HA 0.135 4.605 4.470 -0.000 0.000 0.220 535 S C 1.670 176.236 174.600 -0.056 0.000 1.046 535 S CA 0.502 58.708 58.200 0.011 0.000 0.953 535 S CB -0.093 63.160 63.200 0.089 0.000 0.856 535 S HN 0.490 nan 8.310 nan 0.000 0.506 536 G N 3.073 111.843 108.800 -0.048 0.000 4.608 536 G HA2 -0.502 3.458 3.960 -0.000 0.000 0.352 536 G HA3 -0.502 3.458 3.960 -0.000 0.000 0.352 536 G C 1.083 175.900 174.900 -0.137 0.000 1.395 536 G CA 0.967 46.008 45.100 -0.099 0.000 1.148 536 G HN 0.482 nan 8.290 nan 0.000 0.804 537 N N 2.837 121.441 118.700 -0.159 0.000 2.289 537 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 537 N C 2.341 177.775 175.510 -0.126 0.000 1.016 537 N CA 2.320 55.285 53.050 -0.142 0.000 0.872 537 N CB -0.752 37.661 38.487 -0.124 0.000 0.973 537 N HN 0.672 nan 8.380 nan 0.000 0.433 538 G N 0.149 108.843 108.800 -0.176 0.000 2.404 538 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 538 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 538 G C 1.322 175.821 174.900 -0.668 0.000 1.174 538 G CA 0.123 45.045 45.100 -0.297 0.000 0.780 538 G HN 0.249 nan 8.290 nan 0.000 0.537 539 F N 1.497 120.837 119.950 -1.017 0.000 2.069 539 F HA -0.099 4.428 4.527 0.000 0.000 0.298 539 F C 2.875 178.470 175.800 -0.340 0.000 1.113 539 F CA 0.730 58.164 58.000 -0.943 0.000 1.214 539 F CB -0.767 37.901 39.000 -0.553 0.000 0.978 539 F HN 0.010 nan 8.300 nan 0.000 0.474 540 V N 0.690 120.574 119.914 -0.051 0.000 2.231 540 V HA -0.363 3.757 4.120 -0.000 0.000 0.248 540 V C 2.613 178.714 176.094 0.012 0.000 1.054 540 V CA 2.416 64.696 62.300 -0.033 0.000 1.015 540 V CB -0.710 31.117 31.823 0.007 0.000 0.638 540 V HN 0.244 nan 8.190 nan 0.000 0.444 541 R N -1.033 119.476 120.500 0.015 0.000 2.105 541 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 541 R C 2.321 178.695 176.300 0.122 0.000 1.135 541 R CA 1.964 58.099 56.100 0.059 0.000 0.967 541 R CB -0.576 29.760 30.300 0.060 0.000 0.861 541 R HN 0.743 nan 8.270 nan 0.000 0.442 542 H N 1.176 120.277 119.070 0.052 0.000 2.293 542 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 542 H C 1.527 176.995 175.328 0.233 0.000 1.082 542 H CA 1.831 58.016 56.048 0.228 0.000 1.308 542 H CB -0.233 29.760 29.762 0.386 0.000 1.375 542 H HN 0.066 nan 8.280 nan 0.000 0.495 543 N N 0.228 118.939 118.700 0.019 0.000 2.585 543 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 543 N C 1.816 177.306 175.510 -0.032 0.000 1.102 543 N CA 0.799 53.811 53.050 -0.063 0.000 0.920 543 N CB -0.065 38.388 38.487 -0.057 0.000 0.963 543 N HN 0.272 nan 8.380 nan 0.000 0.447 544 V N 0.434 120.339 119.914 -0.014 0.000 2.379 544 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 544 V C 1.937 178.089 176.094 0.095 0.000 1.044 544 V CA 2.031 64.315 62.300 -0.026 0.000 1.036 544 V CB -0.306 31.506 31.823 -0.018 0.000 0.664 544 V HN 0.399 nan 8.190 nan 0.000 0.453 545 S N -3.313 112.453 115.700 0.109 0.000 2.523 545 S HA 0.181 4.651 4.470 -0.000 0.000 0.217 545 S C 0.381 175.075 174.600 0.157 0.000 0.996 545 S CA -0.426 57.876 58.200 0.171 0.000 0.921 545 S CB -0.051 63.249 63.200 0.167 0.000 0.829 545 S HN 0.415 nan 8.310 nan 0.000 0.495 546 C N 1.817 121.146 119.300 0.048 0.000 2.507 546 C HA 0.617 5.077 4.460 -0.000 0.000 0.319 546 C C -0.028 174.999 174.990 0.062 0.000 1.208 546 C CA -1.083 57.948 59.018 0.022 0.000 1.619 546 C CB 1.077 28.708 27.740 -0.182 0.000 2.230 546 C HN 0.535 nan 8.230 nan 0.000 0.492 547 L N 2.727 124.050 121.223 0.166 0.000 2.305 547 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 547 L C 0.173 177.213 176.870 0.283 0.000 1.085 547 L CA 0.507 55.475 54.840 0.213 0.000 0.813 547 L CB 1.118 43.317 42.059 0.234 0.000 1.157 547 L HN 0.728 nan 8.230 nan 0.000 0.436 548 S N 3.030 118.915 115.700 0.309 0.000 2.513 548 S HA 0.604 5.074 4.470 -0.000 0.000 0.299 548 S C -0.642 174.196 174.600 0.398 0.000 1.087 548 S CA -0.730 57.750 58.200 0.466 0.000 1.012 548 S CB 2.221 65.724 63.200 0.506 0.000 1.044 548 S HN 0.539 nan 8.310 nan 0.000 0.485 549 R N 2.318 123.103 120.500 0.474 0.000 2.562 549 R HA 0.625 4.965 4.340 -0.000 0.000 0.298 549 R C -1.397 175.201 176.300 0.498 0.000 0.961 549 R CA -0.536 55.807 56.100 0.404 0.000 0.881 549 R CB 0.510 31.005 30.300 0.324 0.000 1.159 549 R HN 0.498 nan 8.270 nan 0.000 0.450 550 I N 5.199 126.017 120.570 0.414 0.000 2.569 550 I HA 0.392 4.562 4.170 -0.000 0.000 0.296 550 I C -0.809 175.518 176.117 0.349 0.000 1.028 550 I CA -0.965 60.538 61.300 0.338 0.000 1.082 550 I CB 1.265 39.371 38.000 0.176 0.000 1.264 550 I HN 0.688 nan 8.210 nan 0.000 0.429 551 Y N 3.724 124.055 120.300 0.051 0.000 2.605 551 Y HA 0.798 5.348 4.550 -0.000 0.000 0.343 551 Y C -3.071 172.696 175.900 -0.222 0.000 1.036 551 Y CA -3.799 54.283 58.100 -0.031 0.000 1.065 551 Y CB 0.150 38.613 38.460 0.005 0.000 1.288 551 Y HN 0.264 nan 8.280 nan 0.000 0.481 552 P HA 0.209 nan 4.420 nan 0.000 0.268 552 P C -0.385 176.656 177.300 -0.431 0.000 1.205 552 P CA 0.178 63.063 63.100 -0.359 0.000 0.771 552 P CB 0.529 32.032 31.700 -0.330 0.000 0.858 553 A N 3.353 125.890 122.820 -0.471 0.000 2.561 553 A HA 0.233 4.553 4.320 -0.000 0.000 0.234 553 A C 1.962 179.328 177.584 -0.363 0.000 1.055 553 A CA 0.623 52.434 52.037 -0.377 0.000 0.756 553 A CB -0.758 18.062 19.000 -0.300 0.000 0.986 553 A HN 0.718 nan 8.150 nan 0.000 0.505 554 G N 1.285 110.028 108.800 -0.096 0.000 2.479 554 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 554 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 554 G C 1.135 176.051 174.900 0.027 0.000 1.115 554 G CA 1.030 46.141 45.100 0.018 0.000 0.757 554 G HN 1.029 nan 8.290 nan 0.000 0.560 555 W N 0.478 121.794 121.300 0.026 0.000 2.937 555 W HA 0.257 4.917 4.660 -0.000 0.000 0.245 555 W C 0.670 177.206 176.519 0.028 0.000 1.306 555 W CA -0.432 56.929 57.345 0.027 0.000 1.470 555 W CB -0.236 29.230 29.460 0.010 0.000 1.132 555 W HN 0.080 nan 8.180 nan 0.000 0.675 556 R N 2.395 122.506 120.500 -0.648 0.000 4.464 556 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 556 R C 1.847 178.029 176.300 -0.196 0.000 1.916 556 R CA 0.753 56.483 56.100 -0.616 0.000 1.601 556 R CB -0.432 29.376 30.300 -0.820 0.000 1.315 556 R HN 0.144 nan 8.270 nan 0.000 0.725 557 T N -2.112 112.423 114.554 -0.031 0.000 2.946 557 T HA -0.160 4.190 4.350 -0.000 0.000 0.271 557 T C 1.239 175.944 174.700 0.009 0.000 1.104 557 T CA 1.368 63.484 62.100 0.025 0.000 1.114 557 T CB -0.102 68.822 68.868 0.093 0.000 0.867 557 T HN 0.346 nan 8.240 nan 0.000 0.513 558 D N 0.295 120.694 120.400 -0.002 0.000 2.340 558 D HA 0.119 4.759 4.640 -0.000 0.000 0.220 558 D C 0.773 177.049 176.300 -0.041 0.000 1.039 558 D CA 0.283 54.282 54.000 -0.002 0.000 0.866 558 D CB -0.503 40.314 40.800 0.027 0.000 0.913 558 D HN 0.349 nan 8.370 nan 0.000 0.523 559 S N -1.094 114.562 115.700 -0.073 0.000 3.361 559 S HA -0.206 4.264 4.470 -0.000 0.000 0.288 559 S C 0.495 175.035 174.600 -0.100 0.000 1.269 559 S CA 0.628 58.779 58.200 -0.081 0.000 0.976 559 S CB -2.271 60.888 63.200 -0.068 0.000 1.162 559 S HN 0.791 nan 8.310 nan 0.000 0.643 560 S N 1.478 117.105 115.700 -0.122 0.000 2.587 560 S HA 0.498 4.968 4.470 -0.000 0.000 0.260 560 S C 0.028 174.534 174.600 -0.157 0.000 1.353 560 S CA -0.395 57.733 58.200 -0.119 0.000 0.995 560 S CB 0.554 63.696 63.200 -0.097 0.000 0.912 560 S HN 0.406 nan 8.310 nan 0.000 0.568 561 N N 0.155 118.768 118.700 -0.145 0.000 2.328 561 N HA 0.478 5.218 4.740 -0.000 0.000 0.299 561 N C -0.963 174.468 175.510 -0.132 0.000 1.179 561 N CA -0.523 52.408 53.050 -0.198 0.000 0.793 561 N CB 1.492 39.802 38.487 -0.295 0.000 1.366 561 N HN 0.804 nan 8.380 nan 0.000 0.493 562 Y N -1.293 118.905 120.300 -0.169 0.000 2.496 562 Y HA 0.566 5.116 4.550 -0.000 0.000 0.325 562 Y C 0.825 176.648 175.900 -0.129 0.000 1.271 562 Y CA -1.281 56.744 58.100 -0.126 0.000 1.368 562 Y CB -0.035 38.344 38.460 -0.135 0.000 1.415 562 Y HN 0.328 nan 8.280 nan 0.000 0.527 563 S N 2.276 117.984 115.700 0.014 0.000 2.474 563 S HA 0.259 4.729 4.470 -0.000 0.000 0.276 563 S C -1.713 172.769 174.600 -0.198 0.000 1.227 563 S CA -1.357 56.774 58.200 -0.115 0.000 1.050 563 S CB 0.580 63.759 63.200 -0.034 0.000 0.939 563 S HN 0.624 nan 8.310 nan 0.000 0.490 564 P HA -0.054 nan 4.420 nan 0.000 0.217 564 P C 1.665 178.385 177.300 -0.966 0.000 1.151 564 P CA 0.604 63.238 63.100 -0.778 0.000 0.828 564 P CB -0.152 30.918 31.700 -1.051 0.000 0.788 565 V N 2.477 121.966 119.914 -0.708 0.000 2.317 565 V HA -0.281 3.838 4.120 -0.000 0.000 0.251 565 V C 2.818 178.855 176.094 -0.095 0.000 1.065 565 V CA 2.540 64.688 62.300 -0.255 0.000 1.049 565 V CB -1.524 30.311 31.823 0.020 0.000 0.651 565 V HN 0.321 nan 8.190 nan 0.000 0.450 566 E N -0.415 119.724 120.200 -0.101 0.000 2.160 566 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 566 E C 2.064 178.631 176.600 -0.055 0.000 0.991 566 E CA 1.589 57.962 56.400 -0.046 0.000 0.810 566 E CB -0.280 29.402 29.700 -0.031 0.000 0.742 566 E HN 0.472 nan 8.360 nan 0.000 0.466 567 M N -0.160 119.375 119.600 -0.107 0.000 2.287 567 M HA -0.016 4.464 4.480 -0.000 0.000 0.266 567 M C 1.861 178.161 176.300 0.001 0.000 1.079 567 M CA 0.808 56.053 55.300 -0.092 0.000 1.146 567 M CB -1.061 31.503 32.600 -0.059 0.000 1.374 567 M HN 0.249 nan 8.290 nan 0.000 0.435 568 W N 1.963 123.268 121.300 0.007 0.000 2.363 568 W HA -0.114 4.546 4.660 -0.000 0.000 0.296 568 W C 1.837 178.341 176.519 -0.024 0.000 1.212 568 W CA 0.800 58.133 57.345 -0.020 0.000 1.260 568 W CB -1.783 27.661 29.460 -0.026 0.000 1.131 568 W HN 0.354 nan 8.180 nan 0.000 0.530 569 N N -0.414 118.417 118.700 0.219 0.000 2.430 569 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 569 N C 1.797 177.393 175.510 0.144 0.000 1.032 569 N CA 1.538 54.701 53.050 0.189 0.000 0.893 569 N CB -0.785 37.781 38.487 0.132 0.000 0.957 569 N HN 0.178 nan 8.380 nan 0.000 0.442 570 G N -1.416 107.385 108.800 0.002 0.000 3.277 570 G HA2 0.368 4.328 3.960 -0.000 0.000 0.243 570 G HA3 0.368 4.328 3.960 -0.000 0.000 0.243 570 G C 0.925 175.720 174.900 -0.176 0.000 1.107 570 G CA 0.176 45.193 45.100 -0.139 0.000 0.771 570 G HN 0.354 nan 8.290 nan 0.000 0.544 571 G N -0.801 107.974 108.800 -0.041 0.000 2.162 571 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 571 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 571 G C 0.497 175.360 174.900 -0.062 0.000 0.976 571 G CA 0.120 45.194 45.100 -0.043 0.000 0.655 571 G HN 0.597 nan 8.290 nan 0.000 0.533 572 C N 2.300 121.539 119.300 -0.101 0.000 2.651 572 C HA 0.389 4.849 4.460 -0.000 0.000 0.410 572 C C 1.918 177.016 174.990 0.181 0.000 1.372 572 C CA 0.285 59.272 59.018 -0.052 0.000 1.707 572 C CB 0.865 28.528 27.740 -0.129 0.000 2.501 572 C HN 0.664 nan 8.230 nan 0.000 0.598 573 Q N 3.054 122.965 119.800 0.185 0.000 2.259 573 Q HA 0.113 4.453 4.340 -0.000 0.000 0.201 573 Q C 0.524 176.708 176.000 0.307 0.000 0.938 573 Q CA 1.330 57.281 55.803 0.246 0.000 0.872 573 Q CB 0.007 28.867 28.738 0.203 0.000 0.971 573 Q HN 0.835 nan 8.270 nan 0.000 0.494 574 I N 3.167 123.909 120.570 0.286 0.000 2.234 574 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 574 I C -0.680 175.641 176.117 0.340 0.000 1.131 574 I CA -0.617 60.858 61.300 0.291 0.000 1.335 574 I CB 0.998 39.144 38.000 0.243 0.000 1.511 574 I HN -0.191 nan 8.210 nan 0.000 0.588 575 V N 4.458 124.632 119.914 0.433 0.000 2.338 575 V HA 0.311 4.431 4.120 -0.000 0.000 0.255 575 V C 0.967 177.290 176.094 0.382 0.000 1.082 575 V CA -0.467 62.089 62.300 0.428 0.000 0.951 575 V CB 0.581 32.664 31.823 0.434 0.000 1.102 575 V HN 0.661 nan 8.190 nan 0.000 0.489 576 A N 7.183 130.190 122.820 0.312 0.000 2.362 576 A HA 0.725 5.045 4.320 -0.000 0.000 0.276 576 A C -0.319 177.319 177.584 0.091 0.000 1.153 576 A CA -0.173 51.994 52.037 0.215 0.000 0.813 576 A CB 0.285 19.450 19.000 0.274 0.000 1.081 576 A HN 0.751 nan 8.150 nan 0.000 0.507 577 L N 1.851 123.043 121.223 -0.051 0.000 2.309 577 L HA 0.394 4.734 4.340 -0.000 0.000 0.261 577 L C -0.400 176.485 176.870 0.026 0.000 1.021 577 L CA -1.112 53.612 54.840 -0.193 0.000 0.823 577 L CB 1.824 43.541 42.059 -0.571 0.000 1.366 577 L HN 0.640 nan 8.230 nan 0.000 0.423 578 N N 1.393 120.078 118.700 -0.026 0.000 2.508 578 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 578 N C 0.579 176.104 175.510 0.026 0.000 1.145 578 N CA -0.035 53.031 53.050 0.027 0.000 0.973 578 N CB 0.506 38.984 38.487 -0.014 0.000 1.305 578 N HN 0.427 nan 8.380 nan 0.000 0.506 579 F N 1.488 121.332 119.950 -0.177 0.000 2.373 579 F HA -0.156 4.371 4.527 0.000 0.000 0.300 579 F C 2.484 178.207 175.800 -0.129 0.000 1.080 579 F CA 1.008 58.915 58.000 -0.155 0.000 1.417 579 F CB 0.044 38.962 39.000 -0.138 0.000 1.070 579 F HN 0.520 nan 8.300 nan 0.000 0.546 580 Q N -0.297 119.523 119.800 0.033 0.000 2.444 580 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 580 Q C -0.278 175.688 176.000 -0.055 0.000 0.948 580 Q CA 0.785 56.574 55.803 -0.024 0.000 0.946 580 Q CB -0.508 28.197 28.738 -0.056 0.000 1.027 580 Q HN 0.191 nan 8.270 nan 0.000 0.513 581 T N 4.138 118.643 114.554 -0.081 0.000 2.788 581 T HA 0.454 4.804 4.350 -0.000 0.000 0.296 581 T C -2.620 172.004 174.700 -0.127 0.000 1.009 581 T CA -1.440 60.601 62.100 -0.098 0.000 0.949 581 T CB 1.691 70.499 68.868 -0.100 0.000 0.946 581 T HN 0.130 nan 8.240 nan 0.000 0.453 582 P HA 0.546 nan 4.420 nan 0.000 0.271 582 P C 0.232 177.432 177.300 -0.167 0.000 1.216 582 P CA 0.272 63.282 63.100 -0.150 0.000 0.776 582 P CB 0.796 32.408 31.700 -0.146 0.000 0.881 583 G N 2.619 111.305 108.800 -0.190 0.000 2.320 583 G HA2 0.174 4.134 3.960 -0.000 0.000 0.297 583 G HA3 0.174 4.134 3.960 -0.000 0.000 0.297 583 G C -2.789 172.031 174.900 -0.133 0.000 1.344 583 G CA -0.739 44.259 45.100 -0.170 0.000 0.851 583 G HN 0.063 nan 8.290 nan 0.000 0.567 584 P HA 0.034 nan 4.420 nan 0.000 0.222 584 P C 1.337 178.618 177.300 -0.032 0.000 1.147 584 P CA 1.230 64.317 63.100 -0.022 0.000 0.790 584 P CB 0.326 32.048 31.700 0.036 0.000 0.780 585 E N -1.430 118.727 120.200 -0.073 0.000 2.072 585 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 585 E C 1.939 178.479 176.600 -0.100 0.000 0.982 585 E CA 1.149 57.483 56.400 -0.110 0.000 0.803 585 E CB -0.671 28.913 29.700 -0.192 0.000 0.755 585 E HN 0.120 nan 8.360 nan 0.000 0.453 586 M N 0.736 120.253 119.600 -0.138 0.000 2.288 586 M HA -0.066 4.414 4.480 -0.000 0.000 0.266 586 M C 1.024 177.306 176.300 -0.031 0.000 1.072 586 M CA 1.037 56.250 55.300 -0.146 0.000 1.132 586 M CB -0.510 31.936 32.600 -0.256 0.000 1.386 586 M HN 0.039 nan 8.290 nan 0.000 0.432 587 D N 0.383 120.763 120.400 -0.033 0.000 2.087 587 D HA -0.135 4.505 4.640 -0.000 0.000 0.192 587 D C 2.205 178.533 176.300 0.046 0.000 0.993 587 D CA 1.245 55.253 54.000 0.013 0.000 0.828 587 D CB -0.348 40.460 40.800 0.013 0.000 0.968 587 D HN 0.102 nan 8.370 nan 0.000 0.448 588 V N 0.318 120.246 119.914 0.024 0.000 2.332 588 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 588 V C 2.161 178.386 176.094 0.219 0.000 1.055 588 V CA 1.427 63.756 62.300 0.047 0.000 1.038 588 V CB -0.576 31.241 31.823 -0.011 0.000 0.651 588 V HN 0.196 nan 8.190 nan 0.000 0.450 589 Y N 0.251 120.621 120.300 0.117 0.000 2.114 589 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 589 Y C 2.255 178.316 175.900 0.269 0.000 1.143 589 Y CA 1.776 60.048 58.100 0.288 0.000 1.135 589 Y CB -0.191 38.332 38.460 0.106 0.000 0.980 589 Y HN 0.112 nan 8.280 nan 0.000 0.499 590 L N -1.067 120.325 121.223 0.281 0.000 2.362 590 L HA -0.108 4.232 4.340 -0.000 0.000 0.219 590 L C 2.478 179.435 176.870 0.146 0.000 1.134 590 L CA 0.913 55.873 54.840 0.200 0.000 0.807 590 L CB -1.062 41.054 42.059 0.095 0.000 0.927 590 L HN 0.368 nan 8.230 nan 0.000 0.447 591 G N -0.711 108.165 108.800 0.126 0.000 2.394 591 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 591 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 591 G C 1.810 176.769 174.900 0.098 0.000 1.165 591 G CA 0.683 45.874 45.100 0.152 0.000 0.784 591 G HN 0.436 nan 8.290 nan 0.000 0.535 592 C N 0.173 119.420 119.300 -0.087 0.000 2.413 592 C HA 0.022 4.482 4.460 -0.000 0.000 0.276 592 C C 2.421 177.117 174.990 -0.489 0.000 1.236 592 C CA 0.797 59.549 59.018 -0.443 0.000 1.735 592 C CB -1.151 26.019 27.740 -0.951 0.000 2.031 592 C HN 0.333 nan 8.230 nan 0.000 0.474 593 F N 0.919 120.798 119.950 -0.117 0.000 2.811 593 F HA 0.121 4.648 4.527 0.000 0.000 0.301 593 F C 2.213 178.027 175.800 0.023 0.000 1.151 593 F CA 0.950 58.906 58.000 -0.074 0.000 1.412 593 F CB -0.668 38.280 39.000 -0.087 0.000 1.113 593 F HN 0.360 nan 8.300 nan 0.000 0.579 594 Q N 0.581 120.483 119.800 0.169 0.000 2.311 594 Q HA -0.081 4.259 4.340 -0.000 0.000 0.203 594 Q C 0.754 176.882 176.000 0.213 0.000 0.954 594 Q CA 0.639 56.499 55.803 0.095 0.000 0.885 594 Q CB -0.231 28.457 28.738 -0.083 0.000 0.963 594 Q HN 0.216 nan 8.270 nan 0.000 0.471 595 D N 0.200 120.793 120.400 0.320 0.000 2.369 595 D HA -0.046 4.594 4.640 -0.000 0.000 0.241 595 D C -0.096 176.359 176.300 0.259 0.000 1.271 595 D CA 0.338 54.543 54.000 0.342 0.000 0.942 595 D CB 0.351 41.212 40.800 0.103 0.000 1.129 595 D HN 0.285 nan 8.370 nan 0.000 0.476 596 N N 0.060 118.968 118.700 0.347 0.000 2.716 596 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 596 N C 0.727 176.371 175.510 0.224 0.000 1.033 596 N CA 1.971 55.133 53.050 0.186 0.000 0.727 596 N CB -1.242 37.196 38.487 -0.080 0.000 0.950 596 N HN 0.714 nan 8.380 nan 0.000 0.541 597 G N -1.701 107.276 108.800 0.295 0.000 2.189 597 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.267 597 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.267 597 G C 1.417 176.425 174.900 0.180 0.000 0.975 597 G CA 0.984 46.217 45.100 0.223 0.000 0.644 597 G HN 1.796 nan 8.290 nan 0.000 0.537 598 G N -1.475 107.436 108.800 0.184 0.000 2.179 598 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.257 598 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.257 598 G C 1.934 176.943 174.900 0.182 0.000 1.010 598 G CA 1.718 46.922 45.100 0.173 0.000 0.736 598 G HN 2.309 nan 8.290 nan 0.000 0.513 599 C N -1.401 118.024 119.300 0.209 0.000 2.522 599 C HA 0.555 5.015 4.460 -0.000 0.000 0.271 599 C C 2.438 177.576 174.990 0.247 0.000 1.425 599 C CA 0.829 60.008 59.018 0.269 0.000 1.751 599 C CB -0.886 27.063 27.740 0.349 0.000 1.775 599 C HN 2.353 nan 8.230 nan 0.000 0.557 600 G N -1.078 107.806 108.800 0.140 0.000 2.195 600 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.246 600 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.246 600 G C -0.389 174.322 174.900 -0.315 0.000 0.984 600 G CA 0.420 45.435 45.100 -0.140 0.000 0.633 600 G HN 0.650 nan 8.290 nan 0.000 0.525 601 Y N -0.343 119.970 120.300 0.022 0.000 2.338 601 Y HA 0.611 5.161 4.550 -0.000 0.000 0.333 601 Y C -0.076 175.865 175.900 0.069 0.000 0.968 601 Y CA -0.937 57.159 58.100 -0.007 0.000 1.123 601 Y CB 2.443 40.677 38.460 -0.378 0.000 1.165 601 Y HN 0.100 nan 8.280 nan 0.000 0.452 602 V N 5.235 125.304 119.914 0.259 0.000 2.444 602 V HA 0.266 4.386 4.120 -0.000 0.000 0.294 602 V C -0.427 175.703 176.094 0.060 0.000 1.022 602 V CA -0.972 61.362 62.300 0.056 0.000 0.850 602 V CB 1.767 33.471 31.823 -0.198 0.000 0.992 602 V HN 0.592 nan 8.190 nan 0.000 0.426 603 L N 5.686 126.916 121.223 0.012 0.000 2.513 603 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 603 L C 0.641 177.341 176.870 -0.283 0.000 1.187 603 L CA 0.739 55.442 54.840 -0.228 0.000 0.895 603 L CB 0.104 42.013 42.059 -0.249 0.000 1.147 603 L HN 0.573 nan 8.230 nan 0.000 0.483 604 K N 6.035 126.237 120.400 -0.330 0.000 2.319 604 K HA 0.209 4.529 4.320 -0.000 0.000 0.265 604 K C -2.213 174.163 176.600 -0.374 0.000 1.000 604 K CA -1.223 54.871 56.287 -0.322 0.000 0.943 604 K CB 0.238 32.562 32.500 -0.292 0.000 0.950 604 K HN 0.459 nan 8.250 nan 0.000 0.485 605 P HA -0.067 nan 4.420 nan 0.000 0.269 605 P C -0.323 176.603 177.300 -0.623 0.000 1.215 605 P CA 0.125 62.853 63.100 -0.620 0.000 0.780 605 P CB 0.766 31.816 31.700 -1.082 0.000 0.898 606 A N 3.265 125.795 122.820 -0.483 0.000 1.917 606 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 606 A C 1.706 179.158 177.584 -0.220 0.000 1.182 606 A CA 2.069 53.926 52.037 -0.300 0.000 0.633 606 A CB -1.804 17.094 19.000 -0.170 0.000 0.819 606 A HN 0.690 nan 8.150 nan 0.000 0.448 607 F N -0.862 119.048 119.950 -0.066 0.000 2.408 607 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 607 F C 1.287 177.026 175.800 -0.101 0.000 1.090 607 F CA 0.547 58.542 58.000 -0.008 0.000 1.427 607 F CB -0.821 38.265 39.000 0.143 0.000 1.070 607 F HN 0.106 nan 8.300 nan 0.000 0.549 608 L N -0.044 121.135 121.223 -0.073 0.000 2.607 608 L HA 0.251 4.591 4.340 -0.000 0.000 0.228 608 L C 1.436 178.203 176.870 -0.172 0.000 1.123 608 L CA 0.167 54.983 54.840 -0.040 0.000 0.890 608 L CB -0.168 41.827 42.059 -0.105 0.000 1.103 608 L HN 0.102 nan 8.230 nan 0.000 0.468 609 R N -0.950 119.407 120.500 -0.238 0.000 2.472 609 R HA 0.099 4.439 4.340 -0.000 0.000 0.279 609 R C -0.262 175.911 176.300 -0.212 0.000 0.953 609 R CA -0.181 55.676 56.100 -0.404 0.000 1.088 609 R CB 0.446 30.439 30.300 -0.512 0.000 1.197 609 R HN -0.003 nan 8.270 nan 0.000 0.536 610 D N 1.756 122.116 120.400 -0.068 0.000 2.412 610 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 610 D C -1.542 174.780 176.300 0.037 0.000 1.093 610 D CA -2.629 51.378 54.000 0.013 0.000 0.850 610 D CB 1.617 42.464 40.800 0.079 0.000 1.046 610 D HN -0.128 nan 8.370 nan 0.000 0.507 611 P HA -0.101 nan 4.420 nan 0.000 0.223 611 P C 0.096 177.439 177.300 0.072 0.000 1.144 611 P CA 0.795 63.931 63.100 0.059 0.000 0.783 611 P CB 0.327 32.069 31.700 0.070 0.000 0.771 612 N N -1.177 117.568 118.700 0.076 0.000 2.234 612 N HA 0.056 4.796 4.740 -0.000 0.000 0.227 612 N C 0.122 175.696 175.510 0.105 0.000 1.151 612 N CA 0.160 53.260 53.050 0.083 0.000 0.865 612 N CB 0.106 38.638 38.487 0.076 0.000 1.066 612 N HN 0.053 nan 8.380 nan 0.000 0.515 613 T N 1.088 115.713 114.554 0.118 0.000 2.926 613 T HA 0.067 4.417 4.350 -0.000 0.000 0.307 613 T C 1.405 176.178 174.700 0.121 0.000 1.059 613 T CA 0.449 62.649 62.100 0.166 0.000 1.122 613 T CB 0.876 69.855 68.868 0.184 0.000 0.972 613 T HN 0.263 nan 8.240 nan 0.000 0.545 614 T N 0.585 115.239 114.554 0.166 0.000 3.248 614 T HA 0.307 4.657 4.350 -0.000 0.000 0.271 614 T C -0.027 174.629 174.700 -0.074 0.000 1.005 614 T CA -0.659 61.493 62.100 0.087 0.000 0.902 614 T CB -0.584 68.379 68.868 0.158 0.000 1.102 614 T HN 0.386 nan 8.240 nan 0.000 0.548 615 F N 2.726 122.407 119.950 -0.449 0.000 2.399 615 F HA 0.626 5.153 4.527 -0.000 0.000 0.342 615 F C -0.066 175.404 175.800 -0.550 0.000 1.106 615 F CA -1.002 56.420 58.000 -0.965 0.000 1.196 615 F CB 0.827 39.059 39.000 -1.280 0.000 1.163 615 F HN 0.212 nan 8.300 nan 0.000 0.547 616 N N 3.081 120.848 118.700 -1.555 0.000 2.699 616 N HA 0.008 4.748 4.740 -0.000 0.000 0.271 616 N C 0.264 174.994 175.510 -1.300 0.000 1.216 616 N CA 0.396 52.768 53.050 -1.130 0.000 0.844 616 N CB 1.302 39.465 38.487 -0.539 0.000 1.462 616 N HN 0.692 nan 8.380 nan 0.000 0.555 617 S N 2.904 117.710 115.700 -1.490 0.000 2.441 617 S HA -0.148 4.322 4.470 -0.000 0.000 0.242 617 S C 1.368 175.748 174.600 -0.366 0.000 1.018 617 S CA 0.930 58.686 58.200 -0.740 0.000 0.988 617 S CB -0.039 63.029 63.200 -0.220 0.000 0.778 617 S HN 0.618 nan 8.310 nan 0.000 0.498 618 R N 0.730 121.016 120.500 -0.356 0.000 2.246 618 R HA 0.334 4.674 4.340 -0.000 0.000 0.199 618 R C 0.515 176.707 176.300 -0.179 0.000 0.984 618 R CA 0.778 56.754 56.100 -0.207 0.000 1.015 618 R CB 0.103 30.299 30.300 -0.173 0.000 0.930 618 R HN 0.459 nan 8.270 nan 0.000 0.475 619 A N 1.453 124.128 122.820 -0.242 0.000 3.082 619 A HA 0.331 4.651 4.320 -0.000 0.000 0.328 619 A C -0.502 176.971 177.584 -0.185 0.000 1.089 619 A CA -0.569 51.365 52.037 -0.173 0.000 0.802 619 A CB 0.290 19.194 19.000 -0.161 0.000 1.138 619 A HN 0.081 nan 8.150 nan 0.000 0.474 620 L N 2.387 123.544 121.223 -0.110 0.000 2.418 620 L HA 0.343 4.683 4.340 -0.000 0.000 0.274 620 L C 1.104 177.991 176.870 0.027 0.000 1.135 620 L CA 0.210 55.050 54.840 0.001 0.000 0.870 620 L CB 0.889 43.052 42.059 0.173 0.000 1.154 620 L HN 0.743 nan 8.230 nan 0.000 0.462 621 T N 0.549 115.195 114.554 0.153 0.000 2.910 621 T HA 0.374 4.724 4.350 -0.000 0.000 0.287 621 T C -0.366 174.423 174.700 0.149 0.000 1.050 621 T CA -0.853 61.297 62.100 0.083 0.000 1.011 621 T CB 1.826 70.764 68.868 0.118 0.000 1.195 621 T HN 0.481 nan 8.240 nan 0.000 0.540 622 Q N -0.240 119.486 119.800 -0.124 0.000 2.392 622 Q HA 0.565 4.905 4.340 -0.000 0.000 0.262 622 Q C 0.092 175.869 176.000 -0.370 0.000 1.003 622 Q CA 1.003 56.621 55.803 -0.308 0.000 0.888 622 Q CB 0.182 28.723 28.738 -0.328 0.000 1.260 622 Q HN 1.242 nan 8.270 nan 0.000 0.435 623 G N 2.360 110.651 108.800 -0.848 0.000 2.325 623 G HA2 0.185 4.145 3.960 -0.000 0.000 0.297 623 G HA3 0.185 4.145 3.960 -0.000 0.000 0.297 623 G C -2.550 171.567 174.900 -1.305 0.000 1.448 623 G CA -0.433 43.790 45.100 -1.461 0.000 0.838 623 G HN 0.465 nan 8.290 nan 0.000 0.579 624 P HA -0.137 nan 4.420 nan 0.000 0.217 624 P C 1.533 178.755 177.300 -0.130 0.000 1.148 624 P CA 2.241 65.162 63.100 -0.299 0.000 0.834 624 P CB -0.171 31.501 31.700 -0.047 0.000 0.783 625 W N -1.918 119.444 121.300 0.103 0.000 2.525 625 W HA 0.056 4.716 4.660 -0.000 0.000 0.259 625 W C 0.972 177.526 176.519 0.057 0.000 1.253 625 W CA -0.758 56.587 57.345 0.001 0.000 1.262 625 W CB -1.569 27.388 29.460 -0.839 0.000 1.122 625 W HN -0.095 nan 8.180 nan 0.000 0.607 626 W N 4.274 125.332 121.300 -0.404 0.000 2.416 626 W HA 0.408 5.068 4.660 -0.000 0.000 0.318 626 W C -0.510 175.933 176.519 -0.126 0.000 1.150 626 W CA -0.665 56.589 57.345 -0.152 0.000 1.392 626 W CB 0.341 29.654 29.460 -0.245 0.000 1.311 626 W HN -0.093 nan 8.180 nan 0.000 0.436 627 R N 6.030 126.193 120.500 -0.561 0.000 2.924 627 R HA 0.171 4.511 4.340 -0.000 0.000 0.233 627 R C -2.692 173.322 176.300 -0.477 0.000 1.685 627 R CA -1.546 54.319 56.100 -0.391 0.000 1.462 627 R CB 1.009 31.198 30.300 -0.184 0.000 1.542 627 R HN 0.166 nan 8.270 nan 0.000 0.667 628 P HA -0.044 nan 4.420 nan 0.000 0.266 628 P C -0.376 176.782 177.300 -0.237 0.000 1.195 628 P CA 0.547 63.358 63.100 -0.482 0.000 0.768 628 P CB 0.740 32.185 31.700 -0.425 0.000 0.838 629 E N 1.982 122.072 120.200 -0.184 0.000 2.369 629 E HA 0.361 4.711 4.350 -0.000 0.000 0.270 629 E C -0.562 176.072 176.600 0.058 0.000 0.909 629 E CA -0.912 55.482 56.400 -0.009 0.000 0.775 629 E CB 2.429 32.205 29.700 0.127 0.000 1.270 629 E HN 0.332 nan 8.360 nan 0.000 0.445 630 R N 2.259 122.823 120.500 0.107 0.000 2.288 630 R HA 0.344 4.684 4.340 -0.000 0.000 0.326 630 R C -1.150 175.249 176.300 0.165 0.000 0.959 630 R CA -0.647 55.519 56.100 0.109 0.000 0.834 630 R CB 0.371 30.703 30.300 0.053 0.000 1.157 630 R HN 0.376 nan 8.270 nan 0.000 0.470 631 L N 4.871 126.244 121.223 0.250 0.000 2.282 631 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 631 L C -0.829 176.148 176.870 0.178 0.000 1.033 631 L CA -0.180 54.801 54.840 0.235 0.000 0.807 631 L CB 1.063 43.346 42.059 0.372 0.000 1.209 631 L HN 0.565 nan 8.230 nan 0.000 0.423 632 R N 4.986 125.530 120.500 0.073 0.000 2.480 632 R HA 0.668 5.008 4.340 -0.000 0.000 0.306 632 R C -1.552 174.758 176.300 0.016 0.000 0.958 632 R CA -0.873 55.244 56.100 0.029 0.000 0.861 632 R CB 1.994 32.275 30.300 -0.033 0.000 1.171 632 R HN 0.467 nan 8.270 nan 0.000 0.445 633 V N 3.292 123.244 119.914 0.063 0.000 2.487 633 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 633 V C 0.022 176.084 176.094 -0.054 0.000 1.028 633 V CA -0.893 61.443 62.300 0.060 0.000 0.860 633 V CB 2.087 34.050 31.823 0.234 0.000 0.991 633 V HN 0.623 nan 8.190 nan 0.000 0.427 634 R N 4.742 125.171 120.500 -0.118 0.000 2.310 634 R HA 0.529 4.869 4.340 -0.000 0.000 0.324 634 R C -1.150 175.067 176.300 -0.138 0.000 0.955 634 R CA -0.728 55.265 56.100 -0.179 0.000 0.830 634 R CB 1.002 31.198 30.300 -0.173 0.000 1.154 634 R HN 0.569 nan 8.270 nan 0.000 0.458 635 I N 7.535 128.017 120.570 -0.147 0.000 2.281 635 I HA 0.070 4.240 4.170 -0.000 0.000 0.293 635 I C 1.223 177.386 176.117 0.077 0.000 1.085 635 I CA 0.012 61.290 61.300 -0.037 0.000 1.257 635 I CB 0.603 38.549 38.000 -0.090 0.000 1.430 635 I HN 0.774 nan 8.210 nan 0.000 0.489 636 I N 3.856 124.485 120.570 0.099 0.000 2.260 636 I HA -0.086 4.084 4.170 -0.000 0.000 0.237 636 I C 1.066 177.367 176.117 0.307 0.000 1.075 636 I CA 0.906 62.315 61.300 0.182 0.000 1.376 636 I CB 0.115 38.230 38.000 0.191 0.000 1.107 636 I HN 0.699 nan 8.210 nan 0.000 0.420 637 S N -0.976 114.939 115.700 0.358 0.000 2.656 637 S HA 0.743 5.213 4.470 -0.000 0.000 0.273 637 S C -0.555 174.274 174.600 0.382 0.000 1.168 637 S CA -0.515 57.874 58.200 0.314 0.000 0.817 637 S CB 1.569 64.855 63.200 0.143 0.000 1.146 637 S HN 0.247 nan 8.310 nan 0.000 0.475 638 G N -0.216 108.736 108.800 0.255 0.000 2.524 638 G HA2 0.625 4.585 3.960 -0.000 0.000 0.310 638 G HA3 0.625 4.585 3.960 -0.000 0.000 0.310 638 G C -1.952 172.953 174.900 0.008 0.000 1.279 638 G CA -0.739 44.506 45.100 0.241 0.000 0.974 638 G HN 0.539 nan 8.290 nan 0.000 0.484 639 Q N 0.526 120.313 119.800 -0.021 0.000 2.330 639 Q HA 0.450 4.790 4.340 -0.000 0.000 0.269 639 Q C -0.218 175.703 176.000 -0.130 0.000 1.022 639 Q CA -0.557 55.140 55.803 -0.177 0.000 0.796 639 Q CB 1.973 30.600 28.738 -0.185 0.000 1.271 639 Q HN 0.677 nan 8.270 nan 0.000 0.450 640 Q N 1.487 121.189 119.800 -0.164 0.000 2.439 640 Q HA -0.223 4.117 4.340 -0.000 0.000 0.325 640 Q C -0.783 175.205 176.000 -0.020 0.000 1.372 640 Q CA 0.181 55.974 55.803 -0.017 0.000 0.909 640 Q CB -1.571 27.165 28.738 -0.003 0.000 1.167 640 Q HN 0.599 nan 8.270 nan 0.000 0.418 641 L N 1.630 122.848 121.223 -0.007 0.000 2.499 641 L HA 0.115 4.455 4.340 -0.000 0.000 0.273 641 L C -1.425 175.402 176.870 -0.071 0.000 1.195 641 L CA -1.613 53.211 54.840 -0.027 0.000 0.882 641 L CB -0.294 41.784 42.059 0.031 0.000 1.133 641 L HN 0.038 nan 8.230 nan 0.000 0.483 642 P HA 0.012 nan 4.420 nan 0.000 0.262 642 P C -0.844 176.399 177.300 -0.095 0.000 1.199 642 P CA 0.080 63.039 63.100 -0.235 0.000 0.763 642 P CB 0.196 31.552 31.700 -0.572 0.000 0.790 643 K N 2.291 122.667 120.400 -0.040 0.000 2.368 643 K HA 0.166 4.486 4.320 -0.000 0.000 0.282 643 K C 0.894 177.499 176.600 0.008 0.000 1.035 643 K CA -0.557 55.731 56.287 0.000 0.000 0.973 643 K CB 0.764 33.272 32.500 0.013 0.000 0.957 643 K HN 0.166 nan 8.250 nan 0.000 0.474 644 V N 1.992 121.922 119.914 0.026 0.000 2.785 644 V HA -0.113 4.007 4.120 -0.000 0.000 0.226 644 V C 1.673 177.798 176.094 0.052 0.000 1.127 644 V CA 0.633 62.962 62.300 0.049 0.000 1.193 644 V CB -0.497 31.369 31.823 0.071 0.000 0.926 644 V HN 0.747 nan 8.190 nan 0.000 0.507 645 N N 0.706 119.436 118.700 0.050 0.000 2.124 645 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 645 N C 0.821 176.352 175.510 0.034 0.000 1.045 645 N CA 1.067 54.144 53.050 0.044 0.000 0.846 645 N CB -0.255 38.258 38.487 0.044 0.000 1.020 645 N HN 0.359 nan 8.380 nan 0.000 0.432 646 K N 1.286 121.704 120.400 0.030 0.000 2.436 646 K HA 0.043 4.363 4.320 -0.000 0.000 0.275 646 K C 0.920 177.534 176.600 0.024 0.000 0.999 646 K CA -0.080 56.222 56.287 0.025 0.000 0.980 646 K CB 0.428 32.942 32.500 0.023 0.000 0.919 646 K HN 0.334 nan 8.250 nan 0.000 0.484 647 N N 2.432 121.145 118.700 0.021 0.000 2.188 647 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 647 N C 0.264 175.785 175.510 0.018 0.000 1.018 647 N CA 1.373 54.435 53.050 0.020 0.000 0.858 647 N CB 0.171 38.670 38.487 0.019 0.000 0.989 647 N HN 0.495 nan 8.380 nan 0.000 0.426 648 K N -1.633 118.776 120.400 0.016 0.000 2.582 648 K HA 0.130 4.450 4.320 -0.000 0.000 0.191 648 K C 0.531 177.139 176.600 0.013 0.000 1.593 648 K CA -0.137 56.158 56.287 0.014 0.000 1.040 648 K CB 0.065 32.571 32.500 0.011 0.000 1.374 648 K HN -0.147 nan 8.250 nan 0.000 0.608 649 N N 1.436 120.145 118.700 0.015 0.000 2.409 649 N HA 0.032 4.772 4.740 -0.000 0.000 0.179 649 N C -0.158 175.362 175.510 0.017 0.000 1.032 649 N CA 0.699 53.758 53.050 0.015 0.000 0.898 649 N CB 0.538 39.033 38.487 0.014 0.000 0.971 649 N HN 0.135 nan 8.380 nan 0.000 0.441 650 S N -1.257 114.455 115.700 0.020 0.000 2.651 650 S HA 0.619 5.089 4.470 -0.000 0.000 0.279 650 S C -1.225 173.392 174.600 0.028 0.000 1.148 650 S CA -0.779 57.435 58.200 0.025 0.000 0.837 650 S CB 0.713 63.929 63.200 0.027 0.000 1.138 650 S HN 0.019 nan 8.310 nan 0.000 0.478 651 I N 2.422 123.012 120.570 0.034 0.000 2.460 651 I HA 0.406 4.576 4.170 -0.000 0.000 0.298 651 I C -0.132 176.016 176.117 0.051 0.000 0.989 651 I CA -1.004 60.319 61.300 0.039 0.000 1.173 651 I CB 1.950 39.972 38.000 0.036 0.000 1.338 651 I HN 0.430 nan 8.210 nan 0.000 0.456 652 V N 3.446 123.394 119.914 0.056 0.000 3.032 652 V HA -0.033 4.087 4.120 -0.000 0.000 0.307 652 V C -0.241 175.910 176.094 0.094 0.000 1.097 652 V CA 0.013 62.357 62.300 0.074 0.000 1.191 652 V CB 0.031 31.899 31.823 0.074 0.000 0.964 652 V HN 0.661 nan 8.190 nan 0.000 0.494 653 D N 2.937 123.415 120.400 0.131 0.000 2.502 653 D HA 0.288 4.928 4.640 -0.000 0.000 0.301 653 D C -2.654 173.780 176.300 0.224 0.000 1.202 653 D CA -0.997 53.103 54.000 0.167 0.000 0.878 653 D CB 1.206 42.131 40.800 0.208 0.000 1.062 653 D HN 0.418 nan 8.370 nan 0.000 0.499 654 P HA 0.111 nan 4.420 nan 0.000 0.275 654 P C -0.159 177.453 177.300 0.519 0.000 1.227 654 P CA -0.235 63.075 63.100 0.349 0.000 0.781 654 P CB 1.609 33.554 31.700 0.409 0.000 0.906 655 K N 1.394 121.992 120.400 0.330 0.000 2.480 655 K HA 0.639 4.959 4.320 -0.000 0.000 0.258 655 K C -1.855 174.670 176.600 -0.126 0.000 0.990 655 K CA -1.030 55.360 56.287 0.173 0.000 0.857 655 K CB 1.833 34.419 32.500 0.143 0.000 1.384 655 K HN 0.184 nan 8.250 nan 0.000 0.446 656 V N 2.337 122.038 119.914 -0.355 0.000 2.709 656 V HA 0.486 4.606 4.120 -0.000 0.000 0.308 656 V C -0.466 175.550 176.094 -0.130 0.000 1.062 656 V CA -0.900 61.219 62.300 -0.301 0.000 0.901 656 V CB 1.710 33.208 31.823 -0.541 0.000 1.003 656 V HN 0.658 nan 8.190 nan 0.000 0.425 657 I N 3.897 124.424 120.570 -0.072 0.000 2.474 657 I HA 0.588 4.758 4.170 -0.000 0.000 0.294 657 I C -0.835 175.220 176.117 -0.104 0.000 1.005 657 I CA -0.867 60.379 61.300 -0.089 0.000 1.113 657 I CB 2.118 40.091 38.000 -0.046 0.000 1.289 657 I HN 0.250 nan 8.210 nan 0.000 0.436 658 V N 5.708 125.513 119.914 -0.182 0.000 2.444 658 V HA 0.366 4.486 4.120 -0.000 0.000 0.294 658 V C -0.362 175.562 176.094 -0.282 0.000 1.022 658 V CA -0.563 61.581 62.300 -0.261 0.000 0.850 658 V CB 2.000 33.754 31.823 -0.116 0.000 0.992 658 V HN 0.756 nan 8.190 nan 0.000 0.426 659 E N 5.108 125.125 120.200 -0.305 0.000 2.256 659 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 659 E C -1.380 175.067 176.600 -0.256 0.000 0.892 659 E CA -0.930 55.335 56.400 -0.224 0.000 0.775 659 E CB 2.713 32.440 29.700 0.045 0.000 1.207 659 E HN 0.336 nan 8.360 nan 0.000 0.420 660 I N 2.344 122.735 120.570 -0.298 0.000 2.404 660 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 660 I C -0.622 175.476 176.117 -0.032 0.000 0.992 660 I CA -0.690 60.490 61.300 -0.200 0.000 1.149 660 I CB 0.786 38.578 38.000 -0.347 0.000 1.315 660 I HN 0.546 nan 8.210 nan 0.000 0.446 661 H N 3.345 122.355 119.070 -0.100 0.000 2.529 661 H HA 0.826 5.382 4.556 -0.000 0.000 0.348 661 H C 0.458 175.777 175.328 -0.014 0.000 1.079 661 H CA -0.379 55.643 56.048 -0.044 0.000 1.198 661 H CB 2.094 31.852 29.762 -0.008 0.000 1.521 661 H HN 0.859 nan 8.280 nan 0.000 0.514 662 G N 0.258 109.104 108.800 0.076 0.000 2.498 662 G HA2 0.255 4.215 3.960 -0.000 0.000 0.181 662 G HA3 0.255 4.215 3.960 -0.000 0.000 0.181 662 G C -0.807 174.116 174.900 0.038 0.000 1.169 662 G CA -0.239 44.898 45.100 0.062 0.000 0.992 662 G HN 0.725 nan 8.290 nan 0.000 0.490 663 V N 0.734 120.669 119.914 0.035 0.000 2.999 663 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 663 V C 1.879 177.973 176.094 -0.000 0.000 1.084 663 V CA 1.174 63.495 62.300 0.036 0.000 1.155 663 V CB 0.570 32.434 31.823 0.067 0.000 0.975 663 V HN 1.901 nan 8.190 nan 0.000 0.490 664 G N 3.132 111.925 108.800 -0.011 0.000 2.505 664 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 664 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 664 G C 1.474 176.364 174.900 -0.017 0.000 1.145 664 G CA 1.144 46.230 45.100 -0.024 0.000 0.761 664 G HN 1.102 nan 8.290 nan 0.000 0.571 665 R N 0.080 120.582 120.500 0.003 0.000 2.189 665 R HA 0.002 4.342 4.340 -0.000 0.000 0.223 665 R C 1.227 177.530 176.300 0.004 0.000 1.092 665 R CA 1.646 57.757 56.100 0.018 0.000 0.989 665 R CB -0.242 30.093 30.300 0.059 0.000 0.876 665 R HN 0.152 nan 8.270 nan 0.000 0.457 666 D N 1.225 121.615 120.400 -0.017 0.000 2.305 666 D HA -0.049 4.591 4.640 -0.000 0.000 0.206 666 D C 0.335 176.606 176.300 -0.049 0.000 0.974 666 D CA 1.137 55.112 54.000 -0.042 0.000 0.871 666 D CB 0.076 40.825 40.800 -0.084 0.000 0.947 666 D HN 0.389 nan 8.370 nan 0.000 0.516 667 T N -0.800 113.717 114.554 -0.060 0.000 2.902 667 T HA 0.458 4.808 4.350 -0.000 0.000 0.301 667 T C 0.479 175.132 174.700 -0.079 0.000 1.012 667 T CA -0.218 61.818 62.100 -0.106 0.000 1.151 667 T CB 1.408 70.194 68.868 -0.137 0.000 0.946 667 T HN 0.066 nan 8.240 nan 0.000 0.542 668 G N 0.704 109.441 108.800 -0.106 0.000 2.660 668 G HA2 0.587 4.547 3.960 -0.000 0.000 0.290 668 G HA3 0.587 4.547 3.960 -0.000 0.000 0.290 668 G C -1.309 173.547 174.900 -0.073 0.000 1.432 668 G CA -0.514 44.573 45.100 -0.021 0.000 0.807 668 G HN 1.096 nan 8.290 nan 0.000 0.485 669 S N -0.621 115.080 115.700 0.003 0.000 2.537 669 S HA 0.859 5.329 4.470 -0.000 0.000 0.270 669 S C -1.233 173.337 174.600 -0.051 0.000 1.142 669 S CA -0.814 57.355 58.200 -0.052 0.000 0.870 669 S CB 1.663 64.814 63.200 -0.082 0.000 1.112 669 S HN 0.765 nan 8.310 nan 0.000 0.466 670 R N 1.737 122.116 120.500 -0.203 0.000 2.710 670 R HA 0.484 4.824 4.340 -0.000 0.000 0.270 670 R C -1.413 174.522 176.300 -0.609 0.000 1.021 670 R CA -0.717 55.093 56.100 -0.483 0.000 0.889 670 R CB 1.796 31.542 30.300 -0.925 0.000 1.243 670 R HN 0.915 nan 8.270 nan 0.000 0.464 671 Q N -0.515 118.994 119.800 -0.484 0.000 2.456 671 Q HA 0.541 4.881 4.340 -0.000 0.000 0.284 671 Q C -0.720 175.327 176.000 0.078 0.000 1.061 671 Q CA -0.837 54.838 55.803 -0.212 0.000 0.799 671 Q CB 2.282 30.965 28.738 -0.090 0.000 1.445 671 Q HN 0.651 nan 8.270 nan 0.000 0.411 672 T N -1.348 113.300 114.554 0.157 0.000 2.849 672 T HA 0.777 5.127 4.350 -0.000 0.000 0.276 672 T C 0.490 175.266 174.700 0.127 0.000 0.971 672 T CA -0.093 62.114 62.100 0.178 0.000 0.949 672 T CB 1.003 69.768 68.868 -0.171 0.000 1.093 672 T HN 0.803 nan 8.240 nan 0.000 0.545 673 A N 0.263 123.212 122.820 0.215 0.000 2.267 673 A HA 0.629 4.949 4.320 -0.000 0.000 0.271 673 A C 0.042 177.795 177.584 0.281 0.000 1.131 673 A CA -0.775 51.371 52.037 0.182 0.000 0.818 673 A CB 0.017 19.119 19.000 0.171 0.000 1.118 673 A HN 0.812 nan 8.150 nan 0.000 0.501 674 V N 0.969 120.972 119.914 0.149 0.000 2.481 674 V HA 0.294 4.414 4.120 -0.000 0.000 0.286 674 V C -0.475 175.703 176.094 0.140 0.000 1.042 674 V CA -0.454 61.950 62.300 0.173 0.000 0.928 674 V CB 1.188 32.985 31.823 -0.044 0.000 0.986 674 V HN 0.575 nan 8.190 nan 0.000 0.462 675 I N 3.500 124.155 120.570 0.142 0.000 2.359 675 I HA 0.379 4.549 4.170 -0.000 0.000 0.294 675 I C 0.609 176.739 176.117 0.022 0.000 0.987 675 I CA -0.236 61.042 61.300 -0.037 0.000 1.225 675 I CB 1.660 39.493 38.000 -0.278 0.000 1.366 675 I HN 0.615 nan 8.210 nan 0.000 0.466 676 T N 5.842 120.404 114.554 0.013 0.000 2.845 676 T HA 0.243 4.593 4.350 -0.000 0.000 0.288 676 T C 0.374 175.092 174.700 0.030 0.000 0.980 676 T CA -0.453 61.674 62.100 0.046 0.000 1.071 676 T CB 0.220 69.116 68.868 0.047 0.000 0.941 676 T HN 0.497 nan 8.240 nan 0.000 0.487 677 N N 2.689 121.419 118.700 0.049 0.000 2.688 677 N HA -0.183 4.557 4.740 -0.000 0.000 0.258 677 N C -0.770 174.755 175.510 0.024 0.000 1.016 677 N CA 0.671 53.744 53.050 0.038 0.000 0.747 677 N CB -1.019 37.488 38.487 0.033 0.000 0.895 677 N HN 0.690 nan 8.380 nan 0.000 0.543 678 N N -0.955 117.759 118.700 0.023 0.000 2.812 678 N HA 0.381 5.121 4.740 -0.000 0.000 0.262 678 N C 0.510 176.031 175.510 0.018 0.000 1.241 678 N CA 0.209 53.266 53.050 0.011 0.000 0.854 678 N CB 0.656 39.115 38.487 -0.046 0.000 1.506 678 N HN 0.176 nan 8.380 nan 0.000 0.576 679 G N 0.964 109.802 108.800 0.063 0.000 3.079 679 G HA2 0.009 3.969 3.960 -0.000 0.000 0.233 679 G HA3 0.009 3.969 3.960 -0.000 0.000 0.233 679 G C 0.718 175.670 174.900 0.087 0.000 1.062 679 G CA -0.088 45.052 45.100 0.067 0.000 0.809 679 G HN 0.461 nan 8.290 nan 0.000 0.535 680 F N 2.845 122.764 119.950 -0.050 0.000 2.234 680 F HA 0.137 4.664 4.527 -0.000 0.000 0.296 680 F C 0.844 176.602 175.800 -0.071 0.000 1.089 680 F CA 1.184 59.146 58.000 -0.063 0.000 1.343 680 F CB 0.492 39.447 39.000 -0.075 0.000 1.040 680 F HN 0.263 nan 8.300 nan 0.000 0.498 681 N N -1.057 117.529 118.700 -0.190 0.000 2.609 681 N HA 0.162 4.902 4.740 -0.000 0.000 0.251 681 N C -3.317 172.056 175.510 -0.229 0.000 1.526 681 N CA -1.485 51.377 53.050 -0.313 0.000 0.931 681 N CB -0.843 37.391 38.487 -0.422 0.000 1.460 681 N HN 0.013 nan 8.380 nan 0.000 0.526 682 P HA 0.104 nan 4.420 nan 0.000 0.266 682 P C -0.481 176.428 177.300 -0.651 0.000 1.195 682 P CA 0.080 62.849 63.100 -0.552 0.000 0.768 682 P CB 0.981 32.195 31.700 -0.810 0.000 0.838 683 R N 2.921 123.045 120.500 -0.627 0.000 2.451 683 R HA 0.319 4.659 4.340 -0.000 0.000 0.307 683 R C 0.234 176.320 176.300 -0.356 0.000 0.965 683 R CA -0.446 55.445 56.100 -0.349 0.000 0.865 683 R CB 0.576 30.776 30.300 -0.167 0.000 1.174 683 R HN 0.495 nan 8.270 nan 0.000 0.455 684 W N 1.754 123.063 121.300 0.014 0.000 2.798 684 W HA 0.154 4.814 4.660 0.000 0.000 0.260 684 W C -0.094 176.411 176.519 -0.023 0.000 1.165 684 W CA 0.074 57.419 57.345 0.000 0.000 1.501 684 W CB 0.344 29.807 29.460 0.005 0.000 1.023 684 W HN 0.609 nan 8.180 nan 0.000 0.615 685 D N 0.927 121.461 120.400 0.223 0.000 2.686 685 D HA -0.212 4.428 4.640 -0.000 0.000 0.235 685 D C -0.303 176.008 176.300 0.018 0.000 1.160 685 D CA 1.121 55.177 54.000 0.093 0.000 0.645 685 D CB -1.115 39.723 40.800 0.065 0.000 1.039 685 D HN 0.074 nan 8.370 nan 0.000 0.423 686 M N 0.826 120.401 119.600 -0.042 0.000 2.436 686 M HA 0.382 4.862 4.480 -0.000 0.000 0.331 686 M C -0.609 175.387 176.300 -0.507 0.000 1.135 686 M CA -0.315 54.843 55.300 -0.238 0.000 0.987 686 M CB 1.868 34.313 32.600 -0.258 0.000 1.687 686 M HN 0.028 nan 8.290 nan 0.000 0.445 687 E N 3.265 123.156 120.200 -0.514 0.000 2.222 687 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 687 E C -1.886 174.391 176.600 -0.539 0.000 0.884 687 E CA -0.574 55.519 56.400 -0.510 0.000 0.764 687 E CB 1.115 30.670 29.700 -0.241 0.000 1.169 687 E HN 0.618 nan 8.360 nan 0.000 0.413 688 F N 1.491 121.368 119.950 -0.122 0.000 2.556 688 F HA 0.476 5.003 4.527 0.000 0.000 0.327 688 F C 0.032 175.605 175.800 -0.379 0.000 1.059 688 F CA -0.966 56.860 58.000 -0.290 0.000 0.953 688 F CB 1.807 40.611 39.000 -0.327 0.000 1.227 688 F HN 0.438 nan 8.300 nan 0.000 0.478 689 E N 1.121 121.078 120.200 -0.404 0.000 2.272 689 E HA 0.639 4.989 4.350 -0.000 0.000 0.269 689 E C -2.071 174.182 176.600 -0.579 0.000 0.877 689 E CA -0.449 55.752 56.400 -0.331 0.000 0.755 689 E CB 1.432 31.042 29.700 -0.149 0.000 1.192 689 E HN 0.418 nan 8.360 nan 0.000 0.422 690 F N 1.461 121.449 119.950 0.063 0.000 2.576 690 F HA 0.372 4.899 4.527 0.000 0.000 0.313 690 F C -0.178 175.646 175.800 0.039 0.000 1.078 690 F CA -0.929 57.098 58.000 0.044 0.000 0.921 690 F CB 2.079 41.112 39.000 0.054 0.000 1.232 690 F HN 0.398 nan 8.300 nan 0.000 0.459 691 E N 1.709 122.021 120.200 0.187 0.000 2.158 691 E HA 0.657 5.007 4.350 -0.000 0.000 0.271 691 E C -1.879 174.722 176.600 0.002 0.000 0.911 691 E CA -0.577 55.865 56.400 0.070 0.000 0.767 691 E CB 1.579 31.293 29.700 0.023 0.000 1.120 691 E HN 0.474 nan 8.360 nan 0.000 0.405 692 V N 4.742 124.589 119.914 -0.112 0.000 2.407 692 V HA 0.158 4.278 4.120 -0.000 0.000 0.291 692 V C 1.016 176.866 176.094 -0.408 0.000 1.018 692 V CA -0.200 61.930 62.300 -0.283 0.000 0.842 692 V CB 1.287 32.797 31.823 -0.523 0.000 0.996 692 V HN 0.976 nan 8.190 nan 0.000 0.426 693 T N 1.283 115.596 114.554 -0.402 0.000 3.054 693 T HA 0.076 4.426 4.350 -0.000 0.000 0.259 693 T C 0.470 174.850 174.700 -0.534 0.000 1.092 693 T CA 0.353 62.062 62.100 -0.652 0.000 1.121 693 T CB 0.248 68.671 68.868 -0.741 0.000 0.912 693 T HN 0.357 nan 8.240 nan 0.000 0.489 694 V N 3.242 122.964 119.914 -0.320 0.000 2.405 694 V HA 0.318 4.438 4.120 -0.000 0.000 0.253 694 V C -1.843 174.080 176.094 -0.286 0.000 0.963 694 V CA -1.558 60.644 62.300 -0.164 0.000 1.003 694 V CB 1.170 33.019 31.823 0.042 0.000 1.251 694 V HN 0.153 nan 8.190 nan 0.000 0.520 695 P HA -0.115 nan 4.420 nan 0.000 0.219 695 P C 0.844 177.865 177.300 -0.464 0.000 1.146 695 P CA 1.113 63.642 63.100 -0.952 0.000 0.808 695 P CB 0.477 31.295 31.700 -1.470 0.000 0.779 696 D N -0.729 119.541 120.400 -0.216 0.000 2.384 696 D HA -0.023 4.617 4.640 -0.000 0.000 0.222 696 D C 1.523 177.777 176.300 -0.078 0.000 0.976 696 D CA 0.768 54.707 54.000 -0.102 0.000 0.915 696 D CB -0.205 40.551 40.800 -0.073 0.000 0.896 696 D HN 0.285 nan 8.370 nan 0.000 0.523 697 L N -0.857 120.334 121.223 -0.053 0.000 2.966 697 L HA 0.361 4.701 4.340 -0.000 0.000 0.262 697 L C 0.671 177.553 176.870 0.020 0.000 1.165 697 L CA -0.277 54.567 54.840 0.007 0.000 0.978 697 L CB 0.547 42.656 42.059 0.084 0.000 1.337 697 L HN -0.154 nan 8.230 nan 0.000 0.563 698 A N 0.736 123.536 122.820 -0.034 0.000 2.279 698 A HA 0.787 5.107 4.320 -0.000 0.000 0.303 698 A C -0.753 176.907 177.584 0.127 0.000 1.108 698 A CA -0.144 51.908 52.037 0.025 0.000 0.830 698 A CB 0.883 19.827 19.000 -0.093 0.000 1.106 698 A HN 0.127 nan 8.150 nan 0.000 0.493 699 L N 0.447 121.748 121.223 0.131 0.000 2.409 699 L HA 0.549 4.889 4.340 -0.000 0.000 0.262 699 L C -0.830 176.064 176.870 0.040 0.000 0.992 699 L CA -0.468 54.419 54.840 0.078 0.000 0.817 699 L CB 2.352 44.425 42.059 0.022 0.000 1.350 699 L HN 0.404 nan 8.230 nan 0.000 0.411 700 V N 2.072 121.974 119.914 -0.020 0.000 2.448 700 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 700 V C -0.307 175.670 176.094 -0.195 0.000 1.025 700 V CA -0.613 61.599 62.300 -0.147 0.000 0.859 700 V CB 1.685 33.405 31.823 -0.172 0.000 0.988 700 V HN 0.685 nan 8.190 nan 0.000 0.431 701 R N 3.633 123.952 120.500 -0.302 0.000 2.562 701 R HA 0.640 4.980 4.340 -0.000 0.000 0.298 701 R C -1.800 174.289 176.300 -0.351 0.000 0.961 701 R CA -0.539 55.436 56.100 -0.209 0.000 0.881 701 R CB 1.333 31.519 30.300 -0.189 0.000 1.159 701 R HN 0.527 nan 8.270 nan 0.000 0.450 702 F N 4.556 124.501 119.950 -0.009 0.000 2.426 702 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 702 F C 0.229 176.031 175.800 0.004 0.000 1.124 702 F CA -0.622 57.373 58.000 -0.009 0.000 1.008 702 F CB 1.814 40.804 39.000 -0.017 0.000 1.139 702 F HN 0.305 nan 8.300 nan 0.000 0.452 703 M N 4.516 124.184 119.600 0.114 0.000 2.326 703 M HA 0.720 5.200 4.480 -0.000 0.000 0.306 703 M C -1.974 174.327 176.300 0.001 0.000 1.054 703 M CA -0.622 54.727 55.300 0.081 0.000 0.922 703 M CB 1.544 34.218 32.600 0.123 0.000 1.632 703 M HN 0.284 nan 8.290 nan 0.000 0.436 704 V N 4.301 124.164 119.914 -0.085 0.000 2.417 704 V HA 0.519 4.639 4.120 -0.000 0.000 0.291 704 V C -0.472 175.557 176.094 -0.109 0.000 1.024 704 V CA -0.543 61.702 62.300 -0.090 0.000 0.861 704 V CB 1.506 33.284 31.823 -0.075 0.000 0.985 704 V HN 0.888 nan 8.190 nan 0.000 0.436 705 E N 2.026 122.226 120.200 0.001 0.000 2.299 705 E HA 0.414 4.764 4.350 -0.000 0.000 0.265 705 E C -1.361 175.305 176.600 0.109 0.000 0.911 705 E CA -0.846 55.588 56.400 0.056 0.000 0.789 705 E CB 2.292 32.056 29.700 0.106 0.000 1.246 705 E HN 0.677 nan 8.360 nan 0.000 0.427 706 D N 1.470 121.937 120.400 0.111 0.000 2.373 706 D HA 0.069 4.709 4.640 -0.000 0.000 0.227 706 D C -1.325 175.067 176.300 0.155 0.000 1.091 706 D CA -0.429 53.650 54.000 0.133 0.000 0.840 706 D CB 0.116 40.969 40.800 0.089 0.000 1.060 706 D HN 0.285 nan 8.370 nan 0.000 0.502 707 Y N 3.377 123.726 120.300 0.081 0.000 2.511 707 Y HA 0.258 4.808 4.550 0.000 0.000 0.332 707 Y C -0.618 175.318 175.900 0.061 0.000 1.177 707 Y CA 0.405 58.548 58.100 0.073 0.000 1.422 707 Y CB 0.584 39.093 38.460 0.082 0.000 1.271 707 Y HN 0.277 nan 8.280 nan 0.000 0.550 708 D N 3.407 123.317 120.400 -0.816 0.000 2.863 708 D HA 0.134 4.774 4.640 -0.000 0.000 0.245 708 D C 0.360 176.143 176.300 -0.862 0.000 1.211 708 D CA -0.170 53.470 54.000 -0.599 0.000 0.888 708 D CB 2.011 42.661 40.800 -0.250 0.000 1.483 708 D HN 0.659 nan 8.370 nan 0.000 0.533 709 S N 0.654 116.000 115.700 -0.590 0.000 2.371 709 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 709 S C 1.831 176.343 174.600 -0.148 0.000 1.029 709 S CA 1.147 59.175 58.200 -0.286 0.000 0.978 709 S CB -0.165 63.030 63.200 -0.009 0.000 0.833 709 S HN 0.456 nan 8.310 nan 0.000 0.466 710 S N 1.764 117.391 115.700 -0.121 0.000 2.414 710 S HA 0.115 4.585 4.470 -0.000 0.000 0.227 710 S C 1.094 175.655 174.600 -0.066 0.000 1.022 710 S CA 0.338 58.498 58.200 -0.065 0.000 0.958 710 S CB -0.515 62.659 63.200 -0.043 0.000 0.797 710 S HN 0.754 nan 8.310 nan 0.000 0.493 711 S N 0.091 115.733 115.700 -0.097 0.000 2.811 711 S HA 0.659 5.129 4.470 -0.000 0.000 0.311 711 S C -0.819 173.734 174.600 -0.078 0.000 1.152 711 S CA -1.048 57.112 58.200 -0.067 0.000 0.864 711 S CB 1.183 64.356 63.200 -0.046 0.000 1.226 711 S HN 0.216 nan 8.310 nan 0.000 0.541 712 K N 1.270 121.649 120.400 -0.035 0.000 2.401 712 K HA 0.210 4.530 4.320 -0.000 0.000 0.278 712 K C -0.490 176.101 176.600 -0.014 0.000 1.018 712 K CA -0.016 56.263 56.287 -0.013 0.000 0.981 712 K CB -0.030 32.476 32.500 0.010 0.000 0.933 712 K HN 0.524 nan 8.250 nan 0.000 0.477 713 N N 3.483 122.184 118.700 0.003 0.000 2.458 713 N HA -0.007 4.733 4.740 -0.000 0.000 0.258 713 N C -0.884 174.668 175.510 0.070 0.000 1.219 713 N CA 0.121 53.187 53.050 0.026 0.000 0.902 713 N CB 0.411 38.949 38.487 0.086 0.000 1.076 713 N HN 0.532 nan 8.380 nan 0.000 0.455 714 D N 0.859 121.303 120.400 0.072 0.000 2.345 714 D HA 0.063 4.703 4.640 -0.000 0.000 0.247 714 D C -0.032 176.363 176.300 0.160 0.000 1.108 714 D CA -0.130 53.935 54.000 0.109 0.000 0.894 714 D CB 0.423 41.275 40.800 0.086 0.000 1.203 714 D HN 0.320 nan 8.370 nan 0.000 0.430 715 F N 1.912 121.895 119.950 0.054 0.000 2.443 715 F HA 0.212 4.739 4.527 0.000 0.000 0.353 715 F C 0.738 176.582 175.800 0.074 0.000 1.101 715 F CA -0.013 58.025 58.000 0.064 0.000 1.226 715 F CB 0.452 39.486 39.000 0.057 0.000 1.140 715 F HN 0.319 nan 8.300 nan 0.000 0.557 716 I N 2.916 123.227 120.570 -0.433 0.000 3.443 716 I HA 0.366 4.536 4.170 -0.000 0.000 0.277 716 I C 0.984 176.831 176.117 -0.449 0.000 1.169 716 I CA 0.357 61.489 61.300 -0.280 0.000 1.419 716 I CB 0.340 38.252 38.000 -0.147 0.000 1.331 716 I HN 0.724 nan 8.210 nan 0.000 0.458 717 G N 0.038 108.331 108.800 -0.845 0.000 2.506 717 G HA2 0.464 4.424 3.960 -0.000 0.000 0.292 717 G HA3 0.464 4.424 3.960 -0.000 0.000 0.292 717 G C -2.062 172.597 174.900 -0.401 0.000 1.425 717 G CA -0.207 44.608 45.100 -0.475 0.000 0.788 717 G HN -0.065 nan 8.290 nan 0.000 0.490 718 Q N -0.812 119.015 119.800 0.045 0.000 2.630 718 Q HA 0.715 5.055 4.340 -0.000 0.000 0.295 718 Q C -1.948 174.168 176.000 0.193 0.000 0.944 718 Q CA -0.678 55.235 55.803 0.184 0.000 0.766 718 Q CB 1.959 30.956 28.738 0.432 0.000 1.471 718 Q HN 1.132 nan 8.270 nan 0.000 0.416 719 S N 0.341 116.171 115.700 0.216 0.000 2.563 719 S HA 0.603 5.073 4.470 -0.000 0.000 0.279 719 S C -1.816 172.942 174.600 0.264 0.000 1.155 719 S CA -0.162 58.167 58.200 0.215 0.000 0.928 719 S CB 1.581 64.880 63.200 0.164 0.000 1.107 719 S HN 0.513 nan 8.310 nan 0.000 0.462 720 T N 4.934 119.612 114.554 0.206 0.000 2.809 720 T HA 0.599 4.949 4.350 -0.000 0.000 0.284 720 T C -0.768 174.047 174.700 0.191 0.000 0.992 720 T CA -0.292 61.892 62.100 0.140 0.000 0.957 720 T CB 0.587 69.480 68.868 0.042 0.000 0.942 720 T HN 0.534 nan 8.240 nan 0.000 0.439 721 I N 5.195 125.839 120.570 0.123 0.000 2.418 721 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 721 I C -2.408 173.641 176.117 -0.114 0.000 1.008 721 I CA -2.735 58.558 61.300 -0.012 0.000 1.104 721 I CB 2.344 40.320 38.000 -0.041 0.000 1.264 721 I HN 0.303 nan 8.210 nan 0.000 0.438 722 P HA -0.112 nan 4.420 nan 0.000 0.266 722 P C 0.480 177.718 177.300 -0.103 0.000 1.195 722 P CA -0.036 62.983 63.100 -0.135 0.000 0.768 722 P CB 0.685 32.263 31.700 -0.203 0.000 0.838 723 W N 3.791 124.993 121.300 -0.163 0.000 2.317 723 W HA -0.228 4.432 4.660 -0.000 0.000 0.318 723 W C 0.733 177.172 176.519 -0.133 0.000 1.227 723 W CA 1.664 58.930 57.345 -0.132 0.000 1.269 723 W CB -0.664 28.734 29.460 -0.103 0.000 1.155 723 W HN 0.339 nan 8.180 nan 0.000 0.484 724 N N 0.336 119.092 118.700 0.093 0.000 2.571 724 N HA -0.070 4.670 4.740 -0.000 0.000 0.189 724 N C 0.922 176.398 175.510 -0.056 0.000 1.154 724 N CA 1.080 54.139 53.050 0.015 0.000 0.907 724 N CB -0.048 38.463 38.487 0.040 0.000 0.977 724 N HN 0.012 nan 8.380 nan 0.000 0.449 725 S N -0.128 115.451 115.700 -0.201 0.000 2.603 725 S HA 0.175 4.645 4.470 -0.000 0.000 0.232 725 S C 0.190 174.585 174.600 -0.342 0.000 1.016 725 S CA -0.526 57.560 58.200 -0.190 0.000 0.976 725 S CB 0.757 63.642 63.200 -0.526 0.000 0.921 725 S HN 0.116 nan 8.310 nan 0.000 0.516 726 L N 3.884 124.893 121.223 -0.357 0.000 2.369 726 L HA 0.300 4.640 4.340 -0.000 0.000 0.279 726 L C -0.053 176.639 176.870 -0.297 0.000 1.108 726 L CA 0.257 54.886 54.840 -0.351 0.000 0.852 726 L CB 0.118 41.895 42.059 -0.470 0.000 1.169 726 L HN -0.095 nan 8.230 nan 0.000 0.452 727 K N 4.679 124.945 120.400 -0.224 0.000 2.144 727 K HA 0.297 4.617 4.320 -0.000 0.000 0.270 727 K C -0.407 176.069 176.600 -0.207 0.000 1.005 727 K CA -0.542 55.632 56.287 -0.190 0.000 0.932 727 K CB 1.136 33.554 32.500 -0.136 0.000 1.021 727 K HN 0.652 nan 8.250 nan 0.000 0.462 728 Q N -0.156 119.527 119.800 -0.195 0.000 2.193 728 Q HA 0.497 4.837 4.340 -0.000 0.000 0.246 728 Q C 0.448 176.310 176.000 -0.229 0.000 0.959 728 Q CA -0.512 55.161 55.803 -0.216 0.000 0.904 728 Q CB 1.344 29.962 28.738 -0.199 0.000 1.238 728 Q HN 0.856 nan 8.270 nan 0.000 0.469 729 G N -0.277 108.343 108.800 -0.299 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 -1.392 173.243 174.900 -0.442 0.000 1.287 729 G CA -0.781 44.095 45.100 -0.374 0.000 0.916 729 G HN 0.476 nan 8.290 nan 0.000 0.574 730 Y N 2.054 122.232 120.300 -0.203 0.000 2.359 730 Y HA 0.692 5.242 4.550 -0.000 0.000 0.334 730 Y C 1.331 177.058 175.900 -0.289 0.000 1.058 730 Y CA 0.055 57.988 58.100 -0.278 0.000 1.244 730 Y CB 1.019 39.503 38.460 0.040 0.000 1.187 730 Y HN 0.530 nan 8.280 nan 0.000 0.510 731 R N 1.237 121.518 120.500 -0.365 0.000 2.764 731 R HA 0.372 4.712 4.340 -0.000 0.000 0.270 731 R C -1.655 174.396 176.300 -0.415 0.000 1.014 731 R CA -1.375 54.541 56.100 -0.307 0.000 0.904 731 R CB 1.563 31.696 30.300 -0.278 0.000 1.236 731 R HN 0.724 nan 8.270 nan 0.000 0.466 732 H N -0.592 118.361 119.070 -0.194 0.000 2.457 732 H HA 0.430 4.986 4.556 -0.000 0.000 0.335 732 H C -0.437 174.580 175.328 -0.518 0.000 1.115 732 H CA -0.542 55.350 56.048 -0.261 0.000 1.219 732 H CB 1.951 31.551 29.762 -0.270 0.000 1.471 732 H HN 0.034 nan 8.280 nan 0.000 0.491 733 V N 4.692 124.388 119.914 -0.362 0.000 2.383 733 V HA 0.061 4.181 4.120 -0.000 0.000 0.275 733 V C -0.122 175.786 176.094 -0.310 0.000 1.036 733 V CA -0.683 61.362 62.300 -0.426 0.000 0.889 733 V CB 0.461 31.917 31.823 -0.612 0.000 0.985 733 V HN 0.784 nan 8.190 nan 0.000 0.459 734 H N 5.662 124.714 119.070 -0.030 0.000 2.846 734 H HA 0.369 4.925 4.556 -0.000 0.000 0.278 734 H C -0.001 175.341 175.328 0.024 0.000 1.117 734 H CA -0.314 55.734 56.048 -0.000 0.000 1.406 734 H CB 0.785 30.544 29.762 -0.005 0.000 1.445 734 H HN 0.479 nan 8.280 nan 0.000 0.469 735 L N 4.537 125.858 121.223 0.163 0.000 2.456 735 L HA 0.142 4.482 4.340 -0.000 0.000 0.272 735 L C 0.463 177.451 176.870 0.197 0.000 1.189 735 L CA 0.053 54.984 54.840 0.153 0.000 0.846 735 L CB 0.443 42.575 42.059 0.122 0.000 1.111 735 L HN 0.305 nan 8.230 nan 0.000 0.475 736 L N 1.678 123.007 121.223 0.178 0.000 2.319 736 L HA 0.477 4.817 4.340 -0.000 0.000 0.267 736 L C 0.441 177.427 176.870 0.192 0.000 1.011 736 L CA -0.634 54.275 54.840 0.115 0.000 0.818 736 L CB 2.046 44.161 42.059 0.095 0.000 1.316 736 L HN 0.722 nan 8.230 nan 0.000 0.432 737 S N 0.007 115.709 115.700 0.004 0.000 2.634 737 S HA 0.162 4.632 4.470 -0.000 0.000 0.261 737 S C 0.891 175.626 174.600 0.225 0.000 1.271 737 S CA -0.471 57.820 58.200 0.153 0.000 0.985 737 S CB 1.095 64.239 63.200 -0.094 0.000 0.968 737 S HN 0.696 nan 8.310 nan 0.000 0.568 738 K N 0.550 121.091 120.400 0.235 0.000 2.173 738 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 738 K C 0.899 177.462 176.600 -0.062 0.000 1.046 738 K CA 1.612 57.868 56.287 -0.052 0.000 0.929 738 K CB -0.339 32.114 32.500 -0.077 0.000 0.720 738 K HN 0.597 nan 8.250 nan 0.000 0.453 739 N N -0.684 118.005 118.700 -0.018 0.000 2.322 739 N HA 0.022 4.762 4.740 -0.000 0.000 0.194 739 N C 0.707 176.197 175.510 -0.035 0.000 1.126 739 N CA 0.932 53.960 53.050 -0.036 0.000 0.845 739 N CB 1.223 39.694 38.487 -0.026 0.000 0.976 739 N HN 0.392 nan 8.380 nan 0.000 0.475 740 G N 0.998 109.786 108.800 -0.020 0.000 2.159 740 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 740 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 740 G C -0.381 174.499 174.900 -0.033 0.000 0.977 740 G CA -0.089 45.002 45.100 -0.015 0.000 0.652 740 G HN 0.280 nan 8.290 nan 0.000 0.531 741 D N 0.694 121.052 120.400 -0.071 0.000 2.313 741 D HA 0.374 5.014 4.640 -0.000 0.000 0.247 741 D C 0.632 176.833 176.300 -0.166 0.000 1.094 741 D CA -0.025 53.910 54.000 -0.109 0.000 0.925 741 D CB 0.629 41.349 40.800 -0.132 0.000 1.188 741 D HN 0.125 nan 8.370 nan 0.000 0.430 742 Q N 0.882 120.607 119.800 -0.124 0.000 2.314 742 Q HA 0.082 4.422 4.340 -0.000 0.000 0.258 742 Q C -0.398 175.530 176.000 -0.120 0.000 0.954 742 Q CA 0.142 55.888 55.803 -0.096 0.000 0.890 742 Q CB 0.699 29.401 28.738 -0.060 0.000 1.210 742 Q HN 0.343 nan 8.270 nan 0.000 0.410 743 H N 4.825 123.904 119.070 0.014 0.000 2.685 743 H HA 0.135 4.691 4.556 0.000 0.000 0.286 743 H C -1.330 173.991 175.328 -0.012 0.000 1.102 743 H CA -2.156 53.901 56.048 0.013 0.000 1.254 743 H CB 0.968 30.747 29.762 0.030 0.000 1.397 743 H HN 0.388 nan 8.280 nan 0.000 0.473 744 P HA -0.156 nan 4.420 nan 0.000 0.218 744 P C 0.813 178.105 177.300 -0.014 0.000 1.154 744 P CA 1.228 64.332 63.100 0.007 0.000 0.872 744 P CB 0.543 32.250 31.700 0.012 0.000 0.790 745 S N -1.716 113.996 115.700 0.020 0.000 2.559 745 S HA 0.389 4.859 4.470 -0.000 0.000 0.226 745 S C 0.818 175.419 174.600 0.000 0.000 1.000 745 S CA -0.233 57.961 58.200 -0.009 0.000 0.948 745 S CB 0.302 63.494 63.200 -0.013 0.000 0.870 745 S HN 0.224 nan 8.310 nan 0.000 0.497 746 A N 2.615 125.460 122.820 0.042 0.000 2.269 746 A HA 0.631 4.951 4.320 -0.000 0.000 0.302 746 A C 0.459 178.097 177.584 0.090 0.000 1.266 746 A CA -0.331 51.725 52.037 0.031 0.000 0.894 746 A CB 0.050 19.041 19.000 -0.015 0.000 1.147 746 A HN 0.300 nan 8.150 nan 0.000 0.537 747 T N 0.047 114.636 114.554 0.059 0.000 2.841 747 T HA 0.747 5.097 4.350 -0.000 0.000 0.296 747 T C -0.653 174.098 174.700 0.086 0.000 1.166 747 T CA -0.785 61.359 62.100 0.072 0.000 1.007 747 T CB 1.027 69.924 68.868 0.049 0.000 1.253 747 T HN 0.411 nan 8.240 nan 0.000 0.511 748 L N 1.084 122.346 121.223 0.065 0.000 2.362 748 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 748 L C -1.333 175.616 176.870 0.130 0.000 1.002 748 L CA -1.082 53.813 54.840 0.092 0.000 0.818 748 L CB 2.113 44.147 42.059 -0.042 0.000 1.298 748 L HN 0.691 nan 8.230 nan 0.000 0.420 749 F N 4.001 123.944 119.950 -0.011 0.000 2.411 749 F HA 0.644 5.171 4.527 -0.000 0.000 0.352 749 F C -0.329 175.380 175.800 -0.151 0.000 1.123 749 F CA -0.729 57.142 58.000 -0.214 0.000 1.044 749 F CB 1.269 40.170 39.000 -0.164 0.000 1.135 749 F HN 0.126 nan 8.300 nan 0.000 0.461 750 V N 2.813 122.289 119.914 -0.730 0.000 3.141 750 V HA 0.700 4.820 4.120 -0.000 0.000 0.312 750 V C -1.531 174.161 176.094 -0.669 0.000 1.157 750 V CA -1.215 60.755 62.300 -0.549 0.000 1.041 750 V CB 1.939 33.568 31.823 -0.323 0.000 1.071 750 V HN 0.765 nan 8.190 nan 0.000 0.441 751 K N 1.429 121.546 120.400 -0.471 0.000 2.502 751 K HA 0.751 5.071 4.320 -0.000 0.000 0.254 751 K C -1.639 174.753 176.600 -0.346 0.000 0.947 751 K CA -0.479 55.489 56.287 -0.532 0.000 0.834 751 K CB 1.534 33.675 32.500 -0.599 0.000 1.112 751 K HN 0.811 nan 8.250 nan 0.000 0.427 752 I N 2.388 122.765 120.570 -0.321 0.000 2.460 752 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 752 I C -0.559 175.422 176.117 -0.226 0.000 0.989 752 I CA -0.551 60.617 61.300 -0.219 0.000 1.173 752 I CB 2.110 39.988 38.000 -0.203 0.000 1.338 752 I HN 0.618 nan 8.210 nan 0.000 0.456 753 S N 6.951 122.550 115.700 -0.168 0.000 2.614 753 S HA 0.678 5.148 4.470 -0.000 0.000 0.275 753 S C -1.145 173.396 174.600 -0.098 0.000 1.161 753 S CA -0.556 57.555 58.200 -0.149 0.000 0.969 753 S CB 0.903 64.020 63.200 -0.138 0.000 1.059 753 S HN 0.458 nan 8.310 nan 0.000 0.482 754 I N 4.324 124.837 120.570 -0.094 0.000 2.410 754 I HA 0.475 4.645 4.170 -0.000 0.000 0.286 754 I C -0.276 175.848 176.117 0.011 0.000 1.009 754 I CA -0.445 60.840 61.300 -0.024 0.000 1.111 754 I CB 1.837 39.795 38.000 -0.071 0.000 1.262 754 I HN 0.646 nan 8.210 nan 0.000 0.443 755 Q N 5.189 125.015 119.800 0.044 0.000 2.394 755 Q HA 0.415 4.755 4.340 -0.000 0.000 0.273 755 Q C -1.669 174.358 176.000 0.045 0.000 1.089 755 Q CA -0.672 55.151 55.803 0.032 0.000 0.812 755 Q CB 2.838 31.584 28.738 0.013 0.000 1.353 755 Q HN 0.578 nan 8.270 nan 0.000 0.438 756 D N 0.000 120.418 120.400 0.030 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.010 54.000 0.016 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