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 2isd_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 0.000 176.673 176.600 0.121 0.000 1.382 200 E CA 0.000 56.447 56.400 0.079 0.000 0.976 200 E CB 0.000 29.742 29.700 0.071 0.000 0.812 201 I N 1.750 122.367 120.570 0.077 0.000 2.226 201 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 201 I C 2.048 178.248 176.117 0.138 0.000 1.100 201 I CA 1.658 63.001 61.300 0.071 0.000 1.374 201 I CB -0.253 37.755 38.000 0.013 0.000 1.057 201 I HN 0.145 nan 8.210 nan 0.000 0.413 202 E N 0.340 120.607 120.200 0.111 0.000 2.140 202 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 202 E C 2.129 178.837 176.600 0.179 0.000 0.973 202 E CA 1.181 57.660 56.400 0.132 0.000 0.829 202 E CB -0.066 29.676 29.700 0.070 0.000 0.781 202 E HN 0.379 nan 8.360 nan 0.000 0.466 203 T N 1.716 116.350 114.554 0.133 0.000 2.653 203 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 203 T C 1.480 176.257 174.700 0.128 0.000 1.035 203 T CA 1.500 63.663 62.100 0.106 0.000 1.154 203 T CB -0.487 68.429 68.868 0.080 0.000 0.862 203 T HN 0.159 nan 8.240 nan 0.000 0.441 204 F N 0.774 120.749 119.950 0.042 0.000 2.011 204 F HA -0.231 4.296 4.527 -0.000 0.000 0.296 204 F C 2.260 178.088 175.800 0.047 0.000 1.144 204 F CA 1.679 59.697 58.000 0.029 0.000 1.185 204 F CB -0.786 38.231 39.000 0.028 0.000 0.961 204 F HN 0.172 nan 8.300 nan 0.000 0.485 205 Y N 1.514 121.967 120.300 0.256 0.000 2.081 205 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 205 Y C 2.392 178.293 175.900 0.002 0.000 1.163 205 Y CA 2.344 60.519 58.100 0.125 0.000 1.135 205 Y CB -0.447 38.105 38.460 0.154 0.000 0.970 205 Y HN -0.037 nan 8.280 nan 0.000 0.498 206 K N -0.579 119.944 120.400 0.204 0.000 2.063 206 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 206 K C 1.923 178.494 176.600 -0.048 0.000 1.048 206 K CA 1.560 57.895 56.287 0.081 0.000 0.928 206 K CB -0.480 32.086 32.500 0.111 0.000 0.713 206 K HN 0.413 nan 8.250 nan 0.000 0.442 207 M N 0.428 119.986 119.600 -0.070 0.000 2.236 207 M HA 0.013 4.493 4.480 -0.000 0.000 0.266 207 M C 2.261 178.464 176.300 -0.161 0.000 1.070 207 M CA 1.052 56.288 55.300 -0.106 0.000 1.137 207 M CB -0.830 31.712 32.600 -0.096 0.000 1.378 207 M HN 0.030 nan 8.290 nan 0.000 0.426 208 L N -0.257 120.798 121.223 -0.281 0.000 1.961 208 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 208 L C 1.887 178.724 176.870 -0.054 0.000 1.075 208 L CA 1.616 56.297 54.840 -0.265 0.000 0.749 208 L CB -1.319 40.384 42.059 -0.594 0.000 0.890 208 L HN 0.242 nan 8.230 nan 0.000 0.433 209 T N -0.362 114.067 114.554 -0.209 0.000 3.202 209 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 209 T C 0.820 175.411 174.700 -0.181 0.000 1.183 209 T CA 0.459 62.416 62.100 -0.239 0.000 1.055 209 T CB -0.532 67.989 68.868 -0.578 0.000 0.898 209 T HN 0.287 nan 8.240 nan 0.000 0.555 210 Q N 1.779 121.499 119.800 -0.133 0.000 2.267 210 Q HA 0.246 4.586 4.340 -0.000 0.000 0.255 210 Q C -0.666 175.259 176.000 -0.125 0.000 0.923 210 Q CA -0.528 55.205 55.803 -0.116 0.000 0.925 210 Q CB 0.555 29.240 28.738 -0.087 0.000 1.195 210 Q HN 0.335 nan 8.270 nan 0.000 0.417 211 R N 3.186 123.605 120.500 -0.136 0.000 2.422 211 R HA 0.354 4.694 4.340 -0.000 0.000 0.307 211 R C 0.266 176.501 176.300 -0.108 0.000 1.004 211 R CA -0.150 55.862 56.100 -0.147 0.000 0.882 211 R CB 1.393 31.565 30.300 -0.214 0.000 1.164 211 R HN 0.783 nan 8.270 nan 0.000 0.489 212 A N 3.210 125.985 122.820 -0.075 0.000 1.908 212 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 212 A C 1.998 179.571 177.584 -0.018 0.000 1.181 212 A CA 1.649 53.662 52.037 -0.040 0.000 0.627 212 A CB -0.197 18.788 19.000 -0.026 0.000 0.818 212 A HN 0.832 nan 8.150 nan 0.000 0.445 213 E N 0.248 120.442 120.200 -0.010 0.000 2.153 213 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 213 E C 1.811 178.423 176.600 0.019 0.000 0.988 213 E CA 1.355 57.792 56.400 0.061 0.000 0.811 213 E CB -0.540 29.262 29.700 0.170 0.000 0.746 213 E HN 0.496 nan 8.360 nan 0.000 0.466 214 I N 2.389 122.898 120.570 -0.102 0.000 2.252 214 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 214 I C 1.838 177.984 176.117 0.048 0.000 1.102 214 I CA 1.215 62.462 61.300 -0.088 0.000 1.385 214 I CB -1.093 36.799 38.000 -0.180 0.000 1.064 214 I HN 0.041 nan 8.210 nan 0.000 0.414 215 D N 0.669 121.067 120.400 -0.003 0.000 2.087 215 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 215 D C 2.303 178.632 176.300 0.048 0.000 0.993 215 D CA 1.141 55.148 54.000 0.012 0.000 0.828 215 D CB -0.310 40.480 40.800 -0.017 0.000 0.968 215 D HN 0.199 nan 8.370 nan 0.000 0.448 216 R N 0.341 120.862 120.500 0.035 0.000 2.112 216 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 216 R C 2.236 178.555 176.300 0.033 0.000 1.137 216 R CA 1.673 57.797 56.100 0.040 0.000 0.944 216 R CB -0.337 29.995 30.300 0.054 0.000 0.857 216 R HN 0.152 nan 8.270 nan 0.000 0.435 217 A N 0.137 122.973 122.820 0.028 0.000 1.902 217 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 217 A C 1.986 179.507 177.584 -0.105 0.000 1.181 217 A CA 1.360 53.383 52.037 -0.024 0.000 0.623 217 A CB -0.726 18.192 19.000 -0.137 0.000 0.818 217 A HN 0.448 nan 8.150 nan 0.000 0.443 218 F N 0.646 120.394 119.950 -0.337 0.000 2.102 218 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 218 F C 2.189 177.725 175.800 -0.440 0.000 1.105 218 F CA 2.167 59.696 58.000 -0.784 0.000 1.239 218 F CB -0.341 38.298 39.000 -0.602 0.000 0.991 218 F HN 0.361 nan 8.300 nan 0.000 0.474 219 E N 0.130 120.296 120.200 -0.057 0.000 2.021 219 E HA -0.344 4.006 4.350 -0.000 0.000 0.200 219 E C 2.215 178.733 176.600 -0.137 0.000 1.015 219 E CA 1.922 58.279 56.400 -0.071 0.000 0.824 219 E CB -0.501 29.201 29.700 0.004 0.000 0.762 219 E HN 0.645 nan 8.360 nan 0.000 0.454 220 E N 0.546 120.705 120.200 -0.069 0.000 2.147 220 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 220 E C 1.875 178.444 176.600 -0.052 0.000 1.005 220 E CA 1.386 57.777 56.400 -0.015 0.000 0.810 220 E CB -0.123 29.624 29.700 0.078 0.000 0.736 220 E HN 0.248 nan 8.360 nan 0.000 0.460 221 A N 1.078 123.783 122.820 -0.192 0.000 1.878 221 A HA 0.250 4.570 4.320 -0.000 0.000 0.213 221 A C 2.347 179.716 177.584 -0.358 0.000 1.192 221 A CA 1.244 53.139 52.037 -0.236 0.000 0.619 221 A CB -0.424 18.258 19.000 -0.531 0.000 0.837 221 A HN 0.416 nan 8.150 nan 0.000 0.446 222 A N -1.549 120.909 122.820 -0.602 0.000 2.178 222 A HA 0.449 4.769 4.320 -0.000 0.000 0.211 222 A C 1.852 179.268 177.584 -0.281 0.000 1.157 222 A CA 1.332 53.042 52.037 -0.545 0.000 0.780 222 A CB -1.029 17.409 19.000 -0.937 0.000 0.828 222 A HN 1.866 nan 8.150 nan 0.000 0.476 223 G N 0.119 108.794 108.800 -0.209 0.000 2.596 223 G HA2 -0.427 3.532 3.960 -0.000 0.000 0.304 223 G HA3 -0.427 3.532 3.960 -0.000 0.000 0.304 223 G C 1.643 176.495 174.900 -0.081 0.000 1.189 223 G CA 1.801 46.835 45.100 -0.109 0.000 0.986 223 G HN 1.516 nan 8.290 nan 0.000 0.548 224 S N 1.322 116.987 115.700 -0.057 0.000 2.345 224 S HA 0.346 4.816 4.470 -0.000 0.000 0.220 224 S C 1.936 176.520 174.600 -0.026 0.000 1.031 224 S CA 1.790 59.971 58.200 -0.033 0.000 0.996 224 S CB -0.956 62.229 63.200 -0.025 0.000 0.882 224 S HN 2.424 nan 8.310 nan 0.000 0.445 225 A N 1.602 124.397 122.820 -0.042 0.000 2.632 225 A HA 0.018 4.338 4.320 -0.000 0.000 0.229 225 A C 1.024 178.618 177.584 0.017 0.000 1.047 225 A CA 0.518 52.540 52.037 -0.026 0.000 0.754 225 A CB -0.194 18.773 19.000 -0.055 0.000 0.969 225 A HN 0.677 nan 8.150 nan 0.000 0.509 226 E N -0.240 119.993 120.200 0.054 0.000 2.489 226 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 226 E C -0.109 176.619 176.600 0.214 0.000 1.057 226 E CA 0.512 56.982 56.400 0.118 0.000 0.866 226 E CB 0.264 30.000 29.700 0.060 0.000 0.916 226 E HN 0.717 nan 8.360 nan 0.000 0.500 227 T N -0.190 114.441 114.554 0.129 0.000 2.901 227 T HA 0.451 4.801 4.350 -0.000 0.000 0.293 227 T C -0.934 173.742 174.700 -0.042 0.000 1.084 227 T CA -0.559 61.626 62.100 0.142 0.000 1.008 227 T CB 1.653 70.569 68.868 0.080 0.000 1.170 227 T HN -0.051 nan 8.240 nan 0.000 0.509 228 L N 2.714 123.905 121.223 -0.052 0.000 2.305 228 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 228 L C 0.462 177.300 176.870 -0.054 0.000 1.013 228 L CA -0.634 54.099 54.840 -0.178 0.000 0.819 228 L CB 1.666 43.563 42.059 -0.270 0.000 1.227 228 L HN 0.804 nan 8.230 nan 0.000 0.417 229 S N 2.117 117.783 115.700 -0.056 0.000 2.632 229 S HA 0.247 4.717 4.470 -0.000 0.000 0.271 229 S C 1.211 175.803 174.600 -0.013 0.000 1.260 229 S CA -0.910 57.278 58.200 -0.021 0.000 1.010 229 S CB 1.936 65.122 63.200 -0.023 0.000 0.965 229 S HN 0.335 nan 8.310 nan 0.000 0.534 230 V N 1.710 121.626 119.914 0.002 0.000 2.317 230 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 230 V C 2.653 178.753 176.094 0.011 0.000 1.065 230 V CA 2.305 64.611 62.300 0.010 0.000 1.049 230 V CB -0.954 30.876 31.823 0.011 0.000 0.651 230 V HN 0.872 nan 8.190 nan 0.000 0.450 231 E N -0.245 119.957 120.200 0.003 0.000 2.150 231 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 231 E C 2.364 178.969 176.600 0.008 0.000 0.985 231 E CA 0.829 57.232 56.400 0.005 0.000 0.814 231 E CB -0.290 29.409 29.700 -0.001 0.000 0.752 231 E HN 0.575 nan 8.360 nan 0.000 0.466 232 R N 0.286 120.781 120.500 -0.009 0.000 2.119 232 R HA -0.012 4.328 4.340 -0.000 0.000 0.222 232 R C 2.395 178.712 176.300 0.029 0.000 1.088 232 R CA 0.253 56.344 56.100 -0.016 0.000 0.984 232 R CB -0.523 29.728 30.300 -0.081 0.000 0.884 232 R HN 0.121 nan 8.270 nan 0.000 0.447 233 L N 1.146 122.384 121.223 0.025 0.000 1.994 233 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 233 L C 2.229 179.191 176.870 0.154 0.000 1.071 233 L CA 1.562 56.453 54.840 0.086 0.000 0.745 233 L CB -0.764 41.323 42.059 0.047 0.000 0.892 233 L HN -0.154 nan 8.230 nan 0.000 0.431 234 V N -0.361 119.605 119.914 0.086 0.000 2.278 234 V HA -0.386 3.733 4.120 -0.000 0.000 0.251 234 V C 2.483 178.635 176.094 0.096 0.000 1.062 234 V CA 2.404 64.749 62.300 0.075 0.000 1.038 234 V CB -1.278 30.570 31.823 0.042 0.000 0.646 234 V HN 0.582 nan 8.190 nan 0.000 0.447 235 T N -0.195 114.420 114.554 0.101 0.000 2.788 235 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 235 T C 1.617 176.431 174.700 0.190 0.000 1.044 235 T CA 1.896 64.063 62.100 0.112 0.000 1.139 235 T CB -0.386 68.530 68.868 0.081 0.000 0.867 235 T HN 0.485 nan 8.240 nan 0.000 0.454 236 F N 1.886 121.887 119.950 0.084 0.000 2.084 236 F HA 0.041 4.568 4.527 -0.000 0.000 0.296 236 F C 1.918 177.799 175.800 0.135 0.000 1.111 236 F CA 0.980 59.063 58.000 0.139 0.000 1.224 236 F CB -0.575 38.515 39.000 0.150 0.000 0.991 236 F HN 0.008 nan 8.300 nan 0.000 0.471 237 L N -0.159 121.130 121.223 0.111 0.000 2.129 237 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 237 L C 2.482 179.315 176.870 -0.062 0.000 1.087 237 L CA 1.810 56.648 54.840 -0.004 0.000 0.757 237 L CB -0.728 41.366 42.059 0.058 0.000 0.896 237 L HN 0.367 nan 8.230 nan 0.000 0.434 238 Q N -1.374 118.419 119.800 -0.012 0.000 2.084 238 Q HA -0.153 4.187 4.340 -0.000 0.000 0.194 238 Q C 2.338 178.335 176.000 -0.004 0.000 0.969 238 Q CA 0.698 56.500 55.803 -0.002 0.000 0.829 238 Q CB 0.045 28.806 28.738 0.039 0.000 0.904 238 Q HN 0.463 nan 8.270 nan 0.000 0.464 239 H N -0.734 118.293 119.070 -0.071 0.000 2.389 239 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 239 H C 1.615 176.866 175.328 -0.129 0.000 1.081 239 H CA 1.204 57.211 56.048 -0.069 0.000 1.345 239 H CB 0.715 30.467 29.762 -0.016 0.000 1.393 239 H HN 0.230 nan 8.280 nan 0.000 0.520 240 Q N -0.028 119.560 119.800 -0.354 0.000 2.159 240 Q HA -0.020 4.320 4.340 -0.000 0.000 0.194 240 Q C 2.269 177.989 176.000 -0.468 0.000 0.968 240 Q CA 0.536 56.033 55.803 -0.510 0.000 0.837 240 Q CB -0.009 28.335 28.738 -0.657 0.000 0.920 240 Q HN 0.521 nan 8.270 nan 0.000 0.485 241 Q N 0.786 120.297 119.800 -0.481 0.000 2.435 241 Q HA 0.048 4.388 4.340 -0.000 0.000 0.207 241 Q C -0.108 175.778 176.000 -0.188 0.000 0.956 241 Q CA 0.112 55.747 55.803 -0.282 0.000 0.917 241 Q CB 0.176 28.812 28.738 -0.169 0.000 0.997 241 Q HN 0.330 nan 8.270 nan 0.000 0.497 242 R N 1.492 121.883 120.500 -0.183 0.000 3.416 242 R HA -0.121 4.219 4.340 -0.000 0.000 0.263 242 R C -0.744 175.503 176.300 -0.088 0.000 1.053 242 R CA 0.510 56.534 56.100 -0.125 0.000 0.705 242 R CB -1.968 28.247 30.300 -0.141 0.000 1.124 242 R HN 0.312 nan 8.270 nan 0.000 0.444 243 E N 1.316 121.477 120.200 -0.066 0.000 2.338 243 E HA 0.046 4.396 4.350 -0.000 0.000 0.272 243 E C 1.198 177.780 176.600 -0.030 0.000 1.029 243 E CA -0.233 56.142 56.400 -0.041 0.000 0.872 243 E CB 0.745 30.437 29.700 -0.014 0.000 1.015 243 E HN 0.135 nan 8.360 nan 0.000 0.417 244 E N 2.007 122.189 120.200 -0.030 0.000 2.112 244 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 244 E C 0.636 177.231 176.600 -0.008 0.000 0.979 244 E CA 0.778 57.166 56.400 -0.019 0.000 0.814 244 E CB 0.218 29.906 29.700 -0.020 0.000 0.762 244 E HN 0.522 nan 8.360 nan 0.000 0.460 245 E N 1.007 121.203 120.200 -0.006 0.000 2.416 245 E HA 0.167 4.517 4.350 -0.000 0.000 0.189 245 E C -0.007 176.598 176.600 0.007 0.000 1.091 245 E CA -0.314 56.088 56.400 0.003 0.000 0.889 245 E CB 0.217 29.920 29.700 0.005 0.000 1.015 245 E HN 0.062 nan 8.360 nan 0.000 0.479 246 A N 1.464 124.287 122.820 0.005 0.000 2.548 246 A HA 0.407 4.727 4.320 -0.000 0.000 0.247 246 A C 0.665 178.257 177.584 0.014 0.000 1.067 246 A CA 0.931 52.975 52.037 0.011 0.000 0.757 246 A CB 0.200 19.205 19.000 0.009 0.000 0.996 246 A HN 0.283 nan 8.150 nan 0.000 0.504 247 G N 2.343 111.154 108.800 0.018 0.000 2.325 247 G HA2 0.439 4.399 3.960 -0.000 0.000 0.297 247 G HA3 0.439 4.399 3.960 -0.000 0.000 0.297 247 G C -2.502 172.408 174.900 0.017 0.000 1.448 247 G CA -0.100 45.010 45.100 0.016 0.000 0.838 247 G HN 0.230 nan 8.290 nan 0.000 0.579 248 P HA -0.121 nan 4.420 nan 0.000 0.217 248 P C 2.147 179.454 177.300 0.012 0.000 1.151 248 P CA 2.614 65.722 63.100 0.013 0.000 0.849 248 P CB 0.170 31.876 31.700 0.010 0.000 0.787 249 A N -0.837 121.990 122.820 0.011 0.000 1.877 249 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 249 A C 2.144 179.735 177.584 0.012 0.000 1.186 249 A CA 1.644 53.688 52.037 0.011 0.000 0.620 249 A CB -1.629 17.378 19.000 0.011 0.000 0.822 249 A HN 0.169 nan 8.150 nan 0.000 0.443 250 L N -0.180 121.052 121.223 0.015 0.000 1.976 250 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 250 L C 2.727 179.606 176.870 0.015 0.000 1.071 250 L CA 2.347 57.198 54.840 0.019 0.000 0.746 250 L CB -1.187 40.886 42.059 0.022 0.000 0.890 250 L HN 0.365 nan 8.230 nan 0.000 0.432 251 A N -0.487 122.341 122.820 0.012 0.000 1.884 251 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 251 A C 2.365 179.956 177.584 0.012 0.000 1.197 251 A CA 2.492 54.535 52.037 0.009 0.000 0.637 251 A CB -1.250 17.762 19.000 0.019 0.000 0.827 251 A HN 0.514 nan 8.150 nan 0.000 0.450 252 L N 0.434 121.664 121.223 0.012 0.000 2.046 252 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 252 L C 2.950 179.822 176.870 0.003 0.000 1.077 252 L CA 2.178 57.024 54.840 0.010 0.000 0.747 252 L CB -0.280 41.783 42.059 0.007 0.000 0.896 252 L HN 0.567 nan 8.230 nan 0.000 0.432 253 S N -0.888 114.812 115.700 0.000 0.000 2.382 253 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 253 S C 1.978 176.559 174.600 -0.031 0.000 1.027 253 S CA 1.266 59.456 58.200 -0.016 0.000 0.991 253 S CB -0.855 62.342 63.200 -0.006 0.000 0.823 253 S HN 0.403 nan 8.310 nan 0.000 0.469 254 L N 0.963 122.196 121.223 0.017 0.000 1.989 254 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 254 L C 2.647 179.569 176.870 0.086 0.000 1.071 254 L CA 1.536 56.431 54.840 0.091 0.000 0.749 254 L CB -0.705 41.383 42.059 0.049 0.000 0.890 254 L HN 0.288 nan 8.230 nan 0.000 0.431 255 I N -0.126 120.481 120.570 0.061 0.000 2.208 255 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 255 I C 2.467 178.600 176.117 0.027 0.000 1.097 255 I CA 1.476 62.818 61.300 0.070 0.000 1.363 255 I CB -0.334 37.699 38.000 0.054 0.000 1.051 255 I HN 0.311 nan 8.210 nan 0.000 0.413 256 E N 0.246 120.437 120.200 -0.015 0.000 2.110 256 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 256 E C 2.261 178.806 176.600 -0.092 0.000 0.988 256 E CA 0.987 57.364 56.400 -0.038 0.000 0.804 256 E CB -0.135 29.541 29.700 -0.041 0.000 0.745 256 E HN 0.371 nan 8.360 nan 0.000 0.458 257 R N -0.586 119.794 120.500 -0.200 0.000 2.100 257 R HA -0.056 4.284 4.340 -0.000 0.000 0.220 257 R C 1.103 177.117 176.300 -0.477 0.000 1.091 257 R CA 1.077 56.913 56.100 -0.440 0.000 0.986 257 R CB 0.226 30.064 30.300 -0.769 0.000 0.888 257 R HN 0.173 nan 8.270 nan 0.000 0.444 258 Y N -0.910 119.438 120.300 0.080 0.000 2.483 258 Y HA 0.261 4.810 4.550 -0.000 0.000 0.258 258 Y C -0.013 175.937 175.900 0.084 0.000 1.083 258 Y CA -0.621 57.536 58.100 0.095 0.000 1.283 258 Y CB 0.106 38.656 38.460 0.150 0.000 1.178 258 Y HN -0.059 nan 8.280 nan 0.000 0.515 259 E N 3.804 124.114 120.200 0.184 0.000 2.366 259 E HA 0.060 4.410 4.350 -0.000 0.000 0.266 259 E C -1.772 174.886 176.600 0.096 0.000 1.015 259 E CA -1.688 54.794 56.400 0.137 0.000 0.906 259 E CB 0.841 30.606 29.700 0.108 0.000 0.979 259 E HN 0.059 nan 8.360 nan 0.000 0.443 260 P HA -0.031 nan 4.420 nan 0.000 0.220 260 P C 0.071 177.398 177.300 0.044 0.000 1.154 260 P CA 0.198 63.335 63.100 0.062 0.000 0.830 260 P CB 0.210 31.945 31.700 0.058 0.000 0.803 261 S N 1.031 116.756 115.700 0.042 0.000 2.481 261 S HA 0.016 4.486 4.470 -0.000 0.000 0.282 261 S C 1.362 175.980 174.600 0.030 0.000 1.243 261 S CA -0.329 57.890 58.200 0.031 0.000 1.078 261 S CB -0.046 63.173 63.200 0.030 0.000 0.916 261 S HN -0.050 nan 8.310 nan 0.000 0.495 262 E N 3.917 124.130 120.200 0.022 0.000 2.118 262 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 262 E C 1.914 178.525 176.600 0.018 0.000 0.992 262 E CA 1.532 57.944 56.400 0.019 0.000 0.804 262 E CB -0.796 28.912 29.700 0.014 0.000 0.741 262 E HN 0.777 nan 8.360 nan 0.000 0.458 263 T N 1.523 116.088 114.554 0.018 0.000 2.569 263 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 263 T C 2.007 176.720 174.700 0.022 0.000 1.074 263 T CA 1.982 64.092 62.100 0.017 0.000 1.176 263 T CB -0.446 68.431 68.868 0.015 0.000 0.863 263 T HN 0.320 nan 8.240 nan 0.000 0.410 264 A N 1.308 124.145 122.820 0.028 0.000 1.948 264 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 264 A C 2.209 179.815 177.584 0.037 0.000 1.177 264 A CA 2.174 54.233 52.037 0.036 0.000 0.636 264 A CB -0.617 18.413 19.000 0.050 0.000 0.815 264 A HN 0.501 nan 8.150 nan 0.000 0.449 265 K N -0.552 119.869 120.400 0.036 0.000 1.973 265 K HA -0.102 4.218 4.320 -0.000 0.000 0.212 265 K C 2.292 178.906 176.600 0.023 0.000 1.047 265 K CA 1.301 57.608 56.287 0.032 0.000 0.937 265 K CB -0.411 32.106 32.500 0.029 0.000 0.721 265 K HN 0.364 nan 8.250 nan 0.000 0.440 266 A N 1.073 123.903 122.820 0.018 0.000 1.927 266 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 266 A C 1.746 179.338 177.584 0.013 0.000 1.185 266 A CA 1.749 53.794 52.037 0.013 0.000 0.639 266 A CB -0.550 18.457 19.000 0.012 0.000 0.820 266 A HN 0.526 nan 8.150 nan 0.000 0.451 267 Q N -1.716 118.094 119.800 0.016 0.000 2.329 267 Q HA 0.183 4.523 4.340 -0.000 0.000 0.208 267 Q C 0.094 176.103 176.000 0.016 0.000 0.934 267 Q CA 0.121 55.933 55.803 0.015 0.000 0.951 267 Q CB 0.129 28.876 28.738 0.015 0.000 1.017 267 Q HN 0.618 nan 8.270 nan 0.000 0.490 268 R N -0.789 119.721 120.500 0.018 0.000 3.977 268 R HA -0.207 4.133 4.340 -0.000 0.000 0.428 268 R C -0.285 176.031 176.300 0.027 0.000 1.079 268 R CA 1.130 57.242 56.100 0.020 0.000 1.269 268 R CB -1.295 29.013 30.300 0.014 0.000 1.856 268 R HN 0.415 nan 8.270 nan 0.000 0.551 269 Q N 0.326 120.146 119.800 0.033 0.000 2.199 269 Q HA 0.555 4.895 4.340 -0.000 0.000 0.232 269 Q C -0.100 175.942 176.000 0.071 0.000 0.969 269 Q CA -0.578 55.250 55.803 0.042 0.000 0.925 269 Q CB 1.340 30.101 28.738 0.039 0.000 1.198 269 Q HN 0.133 nan 8.270 nan 0.000 0.494 270 M N 1.503 121.160 119.600 0.096 0.000 2.253 270 M HA 0.307 4.787 4.480 -0.000 0.000 0.314 270 M C -0.771 175.678 176.300 0.248 0.000 1.019 270 M CA -0.421 54.976 55.300 0.162 0.000 0.932 270 M CB 1.878 34.589 32.600 0.185 0.000 1.606 270 M HN 0.850 nan 8.290 nan 0.000 0.430 271 T N 0.738 115.408 114.554 0.193 0.000 2.824 271 T HA 0.314 4.664 4.350 -0.000 0.000 0.277 271 T C 0.841 175.502 174.700 -0.065 0.000 0.975 271 T CA -0.609 61.558 62.100 0.111 0.000 0.966 271 T CB 1.305 70.180 68.868 0.011 0.000 1.054 271 T HN 0.895 nan 8.240 nan 0.000 0.533 272 K N -0.025 119.913 120.400 -0.770 0.000 2.152 272 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 272 K C 1.513 177.954 176.600 -0.265 0.000 1.048 272 K CA 1.667 57.247 56.287 -1.178 0.000 0.933 272 K CB -0.244 31.495 32.500 -1.268 0.000 0.721 272 K HN 0.574 nan 8.250 nan 0.000 0.447 273 D N -0.431 119.875 120.400 -0.156 0.000 2.117 273 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 273 D C 1.811 178.145 176.300 0.057 0.000 0.987 273 D CA 1.457 55.437 54.000 -0.035 0.000 0.829 273 D CB -0.390 40.399 40.800 -0.019 0.000 0.961 273 D HN 0.445 nan 8.370 nan 0.000 0.460 274 G N -0.027 108.841 108.800 0.113 0.000 2.422 274 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 274 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 274 G C 1.462 176.528 174.900 0.277 0.000 1.140 274 G CA 0.147 45.364 45.100 0.195 0.000 0.775 274 G HN 0.184 nan 8.290 nan 0.000 0.545 275 F N 1.014 121.041 119.950 0.128 0.000 2.069 275 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 275 F C 2.303 178.193 175.800 0.149 0.000 1.113 275 F CA 1.267 59.387 58.000 0.200 0.000 1.214 275 F CB -0.498 38.656 39.000 0.257 0.000 0.978 275 F HN 0.116 nan 8.300 nan 0.000 0.474 276 L N 0.215 121.469 121.223 0.050 0.000 2.017 276 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 276 L C 2.388 179.177 176.870 -0.134 0.000 1.073 276 L CA 1.962 56.732 54.840 -0.117 0.000 0.745 276 L CB -0.877 41.132 42.059 -0.084 0.000 0.894 276 L HN 0.277 nan 8.230 nan 0.000 0.432 277 M N -2.114 117.456 119.600 -0.049 0.000 2.149 277 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 277 M C 2.167 178.296 176.300 -0.285 0.000 1.064 277 M CA 1.979 57.229 55.300 -0.082 0.000 1.102 277 M CB -0.437 32.198 32.600 0.058 0.000 1.369 277 M HN 0.497 nan 8.290 nan 0.000 0.408 278 Y N 0.806 120.897 120.300 -0.349 0.000 2.114 278 Y HA -0.205 4.345 4.550 -0.000 0.000 0.284 278 Y C 1.705 177.365 175.900 -0.400 0.000 1.143 278 Y CA 1.631 59.375 58.100 -0.593 0.000 1.135 278 Y CB -0.699 37.667 38.460 -0.157 0.000 0.980 278 Y HN 0.100 nan 8.280 nan 0.000 0.499 279 L N -0.001 120.782 121.223 -0.734 0.000 2.261 279 L HA -0.211 4.129 4.340 -0.000 0.000 0.216 279 L C 2.101 178.903 176.870 -0.113 0.000 1.114 279 L CA 1.173 55.680 54.840 -0.556 0.000 0.777 279 L CB -0.394 41.475 42.059 -0.316 0.000 0.910 279 L HN 0.370 nan 8.230 nan 0.000 0.440 280 L N -1.336 119.752 121.223 -0.225 0.000 2.585 280 L HA 0.068 4.408 4.340 -0.000 0.000 0.226 280 L C 1.584 178.404 176.870 -0.084 0.000 1.113 280 L CA -0.294 54.428 54.840 -0.198 0.000 0.876 280 L CB 0.087 41.971 42.059 -0.292 0.000 1.072 280 L HN 0.251 nan 8.230 nan 0.000 0.468 281 S N -0.316 115.229 115.700 -0.259 0.000 2.641 281 S HA 0.304 4.774 4.470 -0.000 0.000 0.261 281 S C 1.456 175.987 174.600 -0.114 0.000 1.257 281 S CA 0.002 58.066 58.200 -0.228 0.000 0.983 281 S CB 1.378 64.212 63.200 -0.610 0.000 0.990 281 S HN 0.114 nan 8.310 nan 0.000 0.572 282 A N 0.057 122.858 122.820 -0.030 0.000 2.070 282 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 282 A C 1.769 179.378 177.584 0.042 0.000 1.159 282 A CA 1.497 53.528 52.037 -0.009 0.000 0.656 282 A CB -0.924 18.099 19.000 0.038 0.000 0.800 282 A HN 0.879 nan 8.150 nan 0.000 0.453 283 D N -0.787 119.663 120.400 0.083 0.000 2.249 283 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 283 D C 1.844 178.142 176.300 -0.005 0.000 0.962 283 D CA 1.187 55.279 54.000 0.152 0.000 0.860 283 D CB -0.044 41.009 40.800 0.421 0.000 0.955 283 D HN 0.492 nan 8.370 nan 0.000 0.505 284 G N 0.329 108.985 108.800 -0.240 0.000 2.838 284 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.210 284 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.210 284 G C 0.883 175.740 174.900 -0.072 0.000 1.153 284 G CA -0.264 44.617 45.100 -0.364 0.000 0.778 284 G HN 0.051 nan 8.290 nan 0.000 0.539 285 N N 1.148 119.862 118.700 0.024 0.000 2.412 285 N HA 0.133 4.873 4.740 -0.000 0.000 0.254 285 N C 1.548 177.093 175.510 0.059 0.000 1.232 285 N CA 0.499 53.618 53.050 0.117 0.000 0.880 285 N CB 1.381 39.922 38.487 0.090 0.000 1.076 285 N HN 0.041 nan 8.380 nan 0.000 0.458 286 A N 4.292 127.139 122.820 0.044 0.000 2.067 286 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 286 A C 0.726 178.316 177.584 0.009 0.000 1.158 286 A CA 0.569 52.584 52.037 -0.038 0.000 0.661 286 A CB -0.276 18.646 19.000 -0.131 0.000 0.801 286 A HN 0.610 nan 8.150 nan 0.000 0.452 287 F N 1.214 121.145 119.950 -0.031 0.000 2.390 287 F HA 0.418 4.945 4.527 -0.000 0.000 0.361 287 F C 0.927 176.700 175.800 -0.045 0.000 1.124 287 F CA -1.115 56.874 58.000 -0.018 0.000 1.149 287 F CB 0.692 39.704 39.000 0.019 0.000 1.160 287 F HN 0.001 nan 8.300 nan 0.000 0.501 288 S N 6.658 122.340 115.700 -0.030 0.000 2.998 288 S HA -0.102 4.368 4.470 -0.000 0.000 0.348 288 S C 1.397 176.064 174.600 0.111 0.000 1.210 288 S CA -0.453 57.697 58.200 -0.083 0.000 1.118 288 S CB -0.200 62.719 63.200 -0.467 0.000 0.832 288 S HN 0.817 nan 8.310 nan 0.000 0.516 289 L N 6.490 127.756 121.223 0.071 0.000 2.079 289 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 289 L C 2.412 179.321 176.870 0.064 0.000 1.081 289 L CA 2.538 57.431 54.840 0.088 0.000 0.752 289 L CB -1.342 40.759 42.059 0.071 0.000 0.896 289 L HN 0.847 nan 8.230 nan 0.000 0.433 290 A N -1.718 121.083 122.820 -0.032 0.000 2.019 290 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 290 A C 2.025 179.612 177.584 0.005 0.000 1.164 290 A CA 1.673 53.679 52.037 -0.052 0.000 0.644 290 A CB -1.012 17.889 19.000 -0.164 0.000 0.805 290 A HN 0.754 nan 8.150 nan 0.000 0.449 291 H N -1.467 117.538 119.070 -0.108 0.000 2.539 291 H HA 0.150 4.706 4.556 -0.000 0.000 0.267 291 H C 0.946 176.438 175.328 0.275 0.000 0.982 291 H CA -0.183 55.819 56.048 -0.076 0.000 1.146 291 H CB 0.217 29.954 29.762 -0.042 0.000 1.382 291 H HN 0.374 nan 8.280 nan 0.000 0.577 292 R N 1.165 121.859 120.500 0.322 0.000 2.555 292 R HA 0.181 4.521 4.340 -0.000 0.000 0.272 292 R C -0.148 176.266 176.300 0.191 0.000 1.089 292 R CA 0.100 56.334 56.100 0.224 0.000 1.126 292 R CB 0.272 30.635 30.300 0.105 0.000 1.250 292 R HN 0.189 nan 8.270 nan 0.000 0.551 293 R N -0.322 120.332 120.500 0.256 0.000 2.740 293 R HA 0.270 4.609 4.340 -0.000 0.000 0.273 293 R C -0.821 175.665 176.300 0.310 0.000 0.998 293 R CA -1.001 55.236 56.100 0.227 0.000 0.900 293 R CB 2.089 32.498 30.300 0.181 0.000 1.223 293 R HN -0.135 nan 8.270 nan 0.000 0.466 294 V N 3.530 123.583 119.914 0.231 0.000 2.493 294 V HA -0.076 4.044 4.120 -0.000 0.000 0.292 294 V C 0.216 176.439 176.094 0.214 0.000 1.016 294 V CA 0.827 63.239 62.300 0.186 0.000 1.097 294 V CB -0.547 31.383 31.823 0.179 0.000 0.947 294 V HN 0.901 nan 8.190 nan 0.000 0.479 295 Y N 2.086 122.424 120.300 0.065 0.000 2.610 295 Y HA 0.491 5.041 4.550 -0.000 0.000 0.254 295 Y C 0.508 176.423 175.900 0.025 0.000 1.110 295 Y CA -0.821 57.312 58.100 0.055 0.000 1.238 295 Y CB -0.169 38.337 38.460 0.077 0.000 1.322 295 Y HN 0.510 nan 8.280 nan 0.000 0.547 296 Q N 0.979 120.504 119.800 -0.459 0.000 2.169 296 Q HA 0.181 4.521 4.340 -0.000 0.000 0.234 296 Q C -1.040 174.893 176.000 -0.111 0.000 0.980 296 Q CA -1.066 54.537 55.803 -0.334 0.000 0.941 296 Q CB 0.949 29.422 28.738 -0.441 0.000 1.199 296 Q HN 0.126 nan 8.270 nan 0.000 0.496 297 D N 1.184 121.550 120.400 -0.057 0.000 2.346 297 D HA 0.027 4.667 4.640 -0.000 0.000 0.260 297 D C -0.240 176.107 176.300 0.078 0.000 1.252 297 D CA 0.117 54.118 54.000 0.002 0.000 0.895 297 D CB 0.641 41.438 40.800 -0.007 0.000 1.097 297 D HN 0.366 nan 8.370 nan 0.000 0.489 298 M N 2.712 122.322 119.600 0.017 0.000 2.637 298 M HA 0.140 4.620 4.480 -0.000 0.000 0.286 298 M C -0.101 176.169 176.300 -0.049 0.000 1.246 298 M CA -0.143 55.108 55.300 -0.081 0.000 0.978 298 M CB 0.130 32.569 32.600 -0.268 0.000 1.417 298 M HN 0.237 nan 8.290 nan 0.000 0.487 299 D N 0.348 120.774 120.400 0.044 0.000 2.431 299 D HA 0.148 4.788 4.640 -0.000 0.000 0.213 299 D C 0.533 176.830 176.300 -0.005 0.000 1.130 299 D CA 0.239 54.238 54.000 -0.001 0.000 0.834 299 D CB 0.909 41.703 40.800 -0.010 0.000 0.985 299 D HN 0.423 nan 8.370 nan 0.000 0.504 300 Q N 0.932 120.782 119.800 0.084 0.000 2.199 300 Q HA 0.382 4.722 4.340 -0.000 0.000 0.232 300 Q C -2.486 173.486 176.000 -0.048 0.000 0.969 300 Q CA -1.918 53.843 55.803 -0.070 0.000 0.925 300 Q CB 0.444 29.087 28.738 -0.158 0.000 1.198 300 Q HN -0.110 nan 8.270 nan 0.000 0.494 301 P HA -0.026 nan 4.420 nan 0.000 0.269 301 P C 0.518 177.822 177.300 0.007 0.000 1.209 301 P CA 0.200 63.150 63.100 -0.250 0.000 0.776 301 P CB 0.487 31.943 31.700 -0.406 0.000 0.876 302 L N 1.704 122.968 121.223 0.068 0.000 2.089 302 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 302 L C 2.253 179.330 176.870 0.346 0.000 1.079 302 L CA 2.451 57.428 54.840 0.228 0.000 0.758 302 L CB -1.151 40.995 42.059 0.145 0.000 0.891 302 L HN 0.480 nan 8.230 nan 0.000 0.433 303 S N -1.899 113.948 115.700 0.246 0.000 2.493 303 S HA -0.216 4.254 4.470 -0.000 0.000 0.243 303 S C 1.470 176.234 174.600 0.274 0.000 0.991 303 S CA 0.933 59.288 58.200 0.259 0.000 0.957 303 S CB -0.781 62.556 63.200 0.228 0.000 0.756 303 S HN 0.576 nan 8.310 nan 0.000 0.521 304 H N -0.672 118.398 119.070 0.000 0.000 2.539 304 H HA 0.252 4.808 4.556 -0.000 0.000 0.267 304 H C -0.518 174.528 175.328 -0.469 0.000 0.982 304 H CA 0.015 55.909 56.048 -0.257 0.000 1.146 304 H CB 0.172 29.696 29.762 -0.397 0.000 1.382 304 H HN 0.467 nan 8.280 nan 0.000 0.577 305 Y N 0.167 120.529 120.300 0.104 0.000 2.562 305 Y HA 0.339 4.889 4.550 -0.000 0.000 0.343 305 Y C -0.106 175.825 175.900 0.050 0.000 1.025 305 Y CA -1.001 57.137 58.100 0.063 0.000 1.082 305 Y CB 1.564 40.130 38.460 0.177 0.000 1.264 305 Y HN -0.134 nan 8.280 nan 0.000 0.478 306 L N 2.497 123.803 121.223 0.137 0.000 2.312 306 L HA 0.594 4.934 4.340 -0.000 0.000 0.281 306 L C -0.921 176.115 176.870 0.277 0.000 1.070 306 L CA -0.906 53.998 54.840 0.105 0.000 0.805 306 L CB 1.025 42.928 42.059 -0.261 0.000 1.174 306 L HN 0.312 nan 8.230 nan 0.000 0.434 307 V N 1.654 121.695 119.914 0.212 0.000 2.540 307 V HA 0.207 4.327 4.120 -0.000 0.000 0.302 307 V C 0.219 176.113 176.094 -0.332 0.000 1.035 307 V CA -0.640 61.563 62.300 -0.162 0.000 0.873 307 V CB 1.818 33.543 31.823 -0.163 0.000 0.992 307 V HN 0.790 nan 8.190 nan 0.000 0.428 308 S N 3.352 118.471 115.700 -0.967 0.000 2.481 308 S HA 0.335 4.805 4.470 -0.000 0.000 0.282 308 S C 0.142 174.618 174.600 -0.205 0.000 1.243 308 S CA -0.152 57.536 58.200 -0.854 0.000 1.078 308 S CB -0.114 62.563 63.200 -0.872 0.000 0.916 308 S HN 0.828 nan 8.310 nan 0.000 0.495 309 S N 3.551 119.326 115.700 0.125 0.000 2.526 309 S HA 0.590 5.060 4.470 -0.000 0.000 0.293 309 S C -0.644 173.897 174.600 -0.099 0.000 1.092 309 S CA -0.810 57.394 58.200 0.007 0.000 0.980 309 S CB 1.866 65.153 63.200 0.145 0.000 1.048 309 S HN 0.716 nan 8.310 nan 0.000 0.483 310 S N 1.458 116.982 115.700 -0.293 0.000 2.537 310 S HA 0.483 4.953 4.470 -0.000 0.000 0.301 310 S C -1.082 173.461 174.600 -0.094 0.000 1.092 310 S CA -0.649 57.330 58.200 -0.368 0.000 1.048 310 S CB 0.915 63.695 63.200 -0.699 0.000 1.053 310 S HN 0.824 nan 8.310 nan 0.000 0.501 311 H N 3.219 122.203 119.070 -0.144 0.000 2.481 311 H HA 0.346 4.902 4.556 -0.000 0.000 0.333 311 H C -0.250 174.932 175.328 -0.244 0.000 1.066 311 H CA -0.064 55.916 56.048 -0.113 0.000 1.209 311 H CB 0.238 29.979 29.762 -0.035 0.000 1.445 311 H HN 1.038 nan 8.280 nan 0.000 0.488 312 N N 3.738 121.985 118.700 -0.756 0.000 2.705 312 N HA -0.198 4.541 4.740 -0.000 0.000 0.255 312 N C 0.600 175.491 175.510 -1.031 0.000 1.008 312 N CA 0.557 53.020 53.050 -0.977 0.000 0.742 312 N CB -0.359 37.377 38.487 -1.251 0.000 0.906 312 N HN 0.705 nan 8.380 nan 0.000 0.541 313 T N -1.013 113.145 114.554 -0.659 0.000 2.751 313 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 313 T C 1.508 175.642 174.700 -0.943 0.000 1.045 313 T CA 2.012 63.675 62.100 -0.727 0.000 1.142 313 T CB -0.421 68.029 68.868 -0.697 0.000 0.851 313 T HN 0.688 nan 8.240 nan 0.000 0.474 314 Y N 1.021 120.907 120.300 -0.689 0.000 2.483 314 Y HA 0.275 4.825 4.550 -0.000 0.000 0.291 314 Y C 0.790 176.569 175.900 -0.200 0.000 1.143 314 Y CA -0.357 57.495 58.100 -0.414 0.000 1.289 314 Y CB -1.112 37.389 38.460 0.069 0.000 0.983 314 Y HN 0.135 nan 8.280 nan 0.000 0.556 315 L N 1.558 122.465 121.223 -0.528 0.000 2.349 315 L HA 0.184 4.524 4.340 -0.000 0.000 0.275 315 L C 0.756 177.514 176.870 -0.186 0.000 1.115 315 L CA -0.304 54.373 54.840 -0.272 0.000 0.820 315 L CB 1.471 43.312 42.059 -0.364 0.000 1.135 315 L HN 0.242 nan 8.230 nan 0.000 0.445 316 L N 1.645 122.818 121.223 -0.084 0.000 2.590 316 L HA 0.217 4.557 4.340 -0.000 0.000 0.227 316 L C 0.941 177.779 176.870 -0.053 0.000 1.099 316 L CA 0.422 55.224 54.840 -0.064 0.000 0.872 316 L CB 0.213 42.256 42.059 -0.026 0.000 1.088 316 L HN 0.758 nan 8.230 nan 0.000 0.479 317 E N -0.879 119.293 120.200 -0.046 0.000 4.559 317 E HA 0.095 4.445 4.350 -0.000 0.000 0.154 317 E C -0.789 175.792 176.600 -0.032 0.000 1.183 317 E CA -0.696 55.685 56.400 -0.031 0.000 0.787 317 E CB 0.262 29.958 29.700 -0.006 0.000 2.055 317 E HN 0.096 nan 8.360 nan 0.000 0.445 318 D N 0.893 121.292 120.400 -0.001 0.000 2.371 318 D HA -0.018 4.622 4.640 -0.000 0.000 0.242 318 D C 0.464 176.783 176.300 0.032 0.000 1.218 318 D CA -0.038 53.971 54.000 0.015 0.000 0.945 318 D CB 0.922 41.745 40.800 0.037 0.000 1.137 318 D HN 0.158 nan 8.370 nan 0.000 0.464 319 Q N -0.099 119.737 119.800 0.060 0.000 2.451 319 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 319 Q C 1.758 177.953 176.000 0.325 0.000 0.947 319 Q CA 0.432 56.308 55.803 0.122 0.000 0.937 319 Q CB 0.335 29.147 28.738 0.124 0.000 1.025 319 Q HN 0.567 nan 8.270 nan 0.000 0.511 320 L N -0.776 120.578 121.223 0.217 0.000 2.433 320 L HA 0.100 4.440 4.340 -0.000 0.000 0.200 320 L C 1.688 178.697 176.870 0.232 0.000 1.059 320 L CA 1.432 56.406 54.840 0.224 0.000 0.835 320 L CB 0.117 42.262 42.059 0.144 0.000 1.076 320 L HN 0.130 nan 8.230 nan 0.000 0.481 321 T N -3.707 110.944 114.554 0.162 0.000 3.130 321 T HA 0.263 4.613 4.350 -0.000 0.000 0.288 321 T C 0.764 175.537 174.700 0.121 0.000 0.936 321 T CA 0.171 62.366 62.100 0.159 0.000 0.897 321 T CB 0.154 69.063 68.868 0.069 0.000 1.178 321 T HN 0.110 nan 8.240 nan 0.000 0.543 322 G N 2.709 111.572 108.800 0.105 0.000 2.653 322 G HA2 0.576 4.536 3.960 -0.000 0.000 0.265 322 G HA3 0.576 4.536 3.960 -0.000 0.000 0.265 322 G C -2.722 172.234 174.900 0.093 0.000 1.237 322 G CA -1.323 43.823 45.100 0.076 0.000 0.946 322 G HN 0.243 nan 8.290 nan 0.000 0.522 323 P HA 0.329 nan 4.420 nan 0.000 0.279 323 P C -0.719 176.638 177.300 0.096 0.000 1.252 323 P CA -0.357 62.791 63.100 0.079 0.000 0.811 323 P CB 1.738 33.468 31.700 0.051 0.000 1.035 324 S N 0.143 115.923 115.700 0.133 0.000 2.607 324 S HA 0.697 5.167 4.470 -0.000 0.000 0.303 324 S C -0.429 174.251 174.600 0.134 0.000 1.086 324 S CA -0.449 57.861 58.200 0.183 0.000 0.995 324 S CB 1.327 64.711 63.200 0.307 0.000 1.084 324 S HN 0.600 nan 8.310 nan 0.000 0.507 325 S N -0.047 115.736 115.700 0.139 0.000 2.558 325 S HA 0.345 4.815 4.470 -0.000 0.000 0.277 325 S C 0.801 175.499 174.600 0.163 0.000 1.143 325 S CA -0.179 58.089 58.200 0.114 0.000 0.865 325 S CB 0.689 63.923 63.200 0.057 0.000 1.102 325 S HN 0.813 nan 8.310 nan 0.000 0.454 326 T N 0.872 115.513 114.554 0.145 0.000 2.881 326 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 326 T C 1.494 176.261 174.700 0.112 0.000 1.068 326 T CA 1.658 63.862 62.100 0.174 0.000 1.131 326 T CB -0.482 68.417 68.868 0.053 0.000 0.871 326 T HN 0.615 nan 8.240 nan 0.000 0.479 327 E N 2.531 122.755 120.200 0.040 0.000 2.097 327 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 327 E C 2.302 178.877 176.600 -0.042 0.000 1.000 327 E CA 1.627 58.013 56.400 -0.023 0.000 0.804 327 E CB -0.990 28.699 29.700 -0.018 0.000 0.740 327 E HN 0.604 nan 8.360 nan 0.000 0.454 328 A N -0.673 122.125 122.820 -0.036 0.000 1.940 328 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 328 A C 2.119 179.588 177.584 -0.191 0.000 1.176 328 A CA 1.697 53.656 52.037 -0.129 0.000 0.631 328 A CB -0.964 17.921 19.000 -0.192 0.000 0.814 328 A HN 0.449 nan 8.150 nan 0.000 0.446 329 Y N -0.370 119.873 120.300 -0.096 0.000 2.220 329 Y HA -0.059 4.491 4.550 -0.000 0.000 0.291 329 Y C 2.232 178.026 175.900 -0.176 0.000 1.129 329 Y CA 1.283 59.308 58.100 -0.125 0.000 1.161 329 Y CB -0.294 38.107 38.460 -0.098 0.000 0.997 329 Y HN 0.207 nan 8.280 nan 0.000 0.522 330 I N -0.241 120.281 120.570 -0.080 0.000 2.179 330 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 330 I C 2.381 178.346 176.117 -0.253 0.000 1.088 330 I CA 1.393 62.485 61.300 -0.347 0.000 1.357 330 I CB -0.367 37.306 38.000 -0.546 0.000 1.051 330 I HN 0.184 nan 8.210 nan 0.000 0.409 331 R N 0.826 121.234 120.500 -0.154 0.000 2.083 331 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 331 R C 2.431 178.719 176.300 -0.020 0.000 1.137 331 R CA 1.701 57.755 56.100 -0.077 0.000 0.951 331 R CB -0.701 29.572 30.300 -0.046 0.000 0.851 331 R HN 0.385 nan 8.270 nan 0.000 0.434 332 A N 1.370 124.159 122.820 -0.051 0.000 1.902 332 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 332 A C 2.267 179.809 177.584 -0.069 0.000 1.181 332 A CA 1.152 53.149 52.037 -0.067 0.000 0.623 332 A CB -0.523 18.272 19.000 -0.341 0.000 0.818 332 A HN 0.185 nan 8.150 nan 0.000 0.443 333 L N -1.010 120.168 121.223 -0.075 0.000 2.093 333 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 333 L C 2.548 179.436 176.870 0.030 0.000 1.085 333 L CA 1.093 55.912 54.840 -0.035 0.000 0.755 333 L CB -0.455 41.596 42.059 -0.013 0.000 0.904 333 L HN 0.481 nan 8.230 nan 0.000 0.435 334 C N -0.243 119.073 119.300 0.027 0.000 2.432 334 C HA -0.113 4.347 4.460 -0.000 0.000 0.282 334 C C 2.283 177.325 174.990 0.086 0.000 1.388 334 C CA 0.593 59.651 59.018 0.066 0.000 1.777 334 C CB -0.848 26.912 27.740 0.034 0.000 1.882 334 C HN 0.366 nan 8.230 nan 0.000 0.520 335 K N 0.132 120.601 120.400 0.116 0.000 2.437 335 K HA 0.239 4.559 4.320 -0.000 0.000 0.198 335 K C 1.344 178.064 176.600 0.201 0.000 1.024 335 K CA 0.646 57.036 56.287 0.173 0.000 1.148 335 K CB 0.074 32.726 32.500 0.255 0.000 0.860 335 K HN 0.479 nan 8.250 nan 0.000 0.515 336 G N 1.242 110.121 108.800 0.132 0.000 2.157 336 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 336 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 336 G C 0.320 175.234 174.900 0.024 0.000 0.979 336 G CA -0.162 44.999 45.100 0.101 0.000 0.650 336 G HN 0.410 nan 8.290 nan 0.000 0.529 337 C N 1.064 120.351 119.300 -0.023 0.000 2.611 337 C HA 0.485 4.945 4.460 -0.000 0.000 0.416 337 C C 2.024 176.899 174.990 -0.191 0.000 1.366 337 C CA 0.411 59.297 59.018 -0.219 0.000 1.761 337 C CB 0.152 27.553 27.740 -0.566 0.000 2.619 337 C HN 0.515 nan 8.230 nan 0.000 0.606 338 R N 2.626 122.989 120.500 -0.228 0.000 2.167 338 R HA 0.156 4.496 4.340 -0.000 0.000 0.201 338 R C 0.298 176.539 176.300 -0.099 0.000 1.024 338 R CA 0.596 56.605 56.100 -0.152 0.000 1.053 338 R CB -0.578 29.568 30.300 -0.257 0.000 0.987 338 R HN 0.714 nan 8.270 nan 0.000 0.493 339 C N 3.147 122.374 119.300 -0.120 0.000 2.281 339 C HA 0.628 5.088 4.460 -0.000 0.000 0.325 339 C C 0.380 175.321 174.990 -0.082 0.000 1.282 339 C CA -0.996 57.993 59.018 -0.047 0.000 1.640 339 C CB 0.069 27.816 27.740 0.011 0.000 2.288 339 C HN 0.190 nan 8.230 nan 0.000 0.507 340 L N 2.215 123.424 121.223 -0.025 0.000 2.322 340 L HA 0.675 5.015 4.340 -0.000 0.000 0.269 340 L C -0.092 176.828 176.870 0.085 0.000 1.012 340 L CA -0.521 54.323 54.840 0.007 0.000 0.815 340 L CB 1.252 43.379 42.059 0.113 0.000 1.295 340 L HN 0.591 nan 8.230 nan 0.000 0.438 341 E N 1.629 121.899 120.200 0.116 0.000 2.210 341 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 341 E C -1.633 175.174 176.600 0.346 0.000 0.883 341 E CA -0.719 55.779 56.400 0.163 0.000 0.761 341 E CB 2.508 32.246 29.700 0.063 0.000 1.156 341 E HN 0.216 nan 8.360 nan 0.000 0.412 342 L N 3.038 124.426 121.223 0.275 0.000 2.349 342 L HA 0.332 4.672 4.340 -0.000 0.000 0.278 342 L C -0.886 176.086 176.870 0.170 0.000 0.996 342 L CA -0.599 54.405 54.840 0.274 0.000 0.825 342 L CB 1.433 43.606 42.059 0.192 0.000 1.243 342 L HN 0.377 nan 8.230 nan 0.000 0.412 343 D N 2.239 122.695 120.400 0.093 0.000 2.467 343 D HA 0.301 4.941 4.640 -0.000 0.000 0.220 343 D C -0.692 175.638 176.300 0.050 0.000 1.103 343 D CA -0.169 53.877 54.000 0.078 0.000 0.886 343 D CB 0.878 41.789 40.800 0.186 0.000 1.025 343 D HN 0.400 nan 8.370 nan 0.000 0.514 344 C N 2.866 122.111 119.300 -0.093 0.000 2.347 344 C HA 0.586 5.046 4.460 -0.000 0.000 0.353 344 C C -0.068 174.706 174.990 -0.360 0.000 1.273 344 C CA -1.028 57.927 59.018 -0.105 0.000 1.861 344 C CB -0.925 26.734 27.740 -0.135 0.000 2.420 344 C HN 0.534 nan 8.230 nan 0.000 0.542 345 W N 0.463 121.796 121.300 0.055 0.000 3.033 345 W HA 0.391 5.051 4.660 -0.000 0.000 0.336 345 W C -0.549 175.985 176.519 0.025 0.000 1.173 345 W CA -0.555 56.829 57.345 0.065 0.000 1.185 345 W CB 0.585 30.131 29.460 0.144 0.000 1.425 345 W HN 0.467 nan 8.180 nan 0.000 0.536 346 D N 0.825 121.362 120.400 0.229 0.000 2.455 346 D HA 0.382 5.022 4.640 -0.000 0.000 0.241 346 D C 0.433 176.795 176.300 0.103 0.000 1.138 346 D CA 0.823 54.888 54.000 0.109 0.000 0.877 346 D CB 0.864 41.711 40.800 0.079 0.000 1.187 346 D HN 0.490 nan 8.370 nan 0.000 0.451 347 G N 1.168 110.003 108.800 0.059 0.000 2.685 347 G HA2 0.592 4.552 3.960 -0.000 0.000 0.298 347 G HA3 0.592 4.552 3.960 -0.000 0.000 0.298 347 G C -2.741 172.167 174.900 0.014 0.000 1.277 347 G CA -1.348 43.771 45.100 0.032 0.000 0.986 347 G HN 0.224 nan 8.290 nan 0.000 0.487 348 P HA 0.043 nan 4.420 nan 0.000 0.269 348 P C 0.471 177.776 177.300 0.008 0.000 1.217 348 P CA -0.059 63.038 63.100 -0.004 0.000 0.783 348 P CB 0.399 32.090 31.700 -0.015 0.000 0.898 349 N N 1.717 120.420 118.700 0.006 0.000 2.710 349 N HA -0.281 4.459 4.740 -0.000 0.000 0.249 349 N C -0.290 175.230 175.510 0.017 0.000 1.059 349 N CA 0.811 53.867 53.050 0.011 0.000 0.720 349 N CB -0.788 37.707 38.487 0.013 0.000 0.983 349 N HN 0.480 nan 8.380 nan 0.000 0.544 350 Q N -2.343 117.464 119.800 0.012 0.000 2.481 350 Q HA -0.203 4.137 4.340 -0.000 0.000 0.258 350 Q C -0.969 175.047 176.000 0.028 0.000 0.961 350 Q CA 1.336 57.143 55.803 0.008 0.000 1.121 350 Q CB -1.082 27.654 28.738 -0.003 0.000 1.503 350 Q HN 0.609 nan 8.270 nan 0.000 0.544 351 E N 0.972 121.202 120.200 0.050 0.000 2.092 351 E HA 0.354 4.704 4.350 -0.000 0.000 0.271 351 E C -2.326 174.327 176.600 0.088 0.000 0.919 351 E CA -2.078 54.381 56.400 0.099 0.000 0.760 351 E CB 1.298 31.060 29.700 0.105 0.000 1.106 351 E HN -0.005 nan 8.360 nan 0.000 0.408 352 P HA 0.051 nan 4.420 nan 0.000 0.265 352 P C 0.036 177.421 177.300 0.142 0.000 1.193 352 P CA 0.296 63.423 63.100 0.047 0.000 0.765 352 P CB 0.361 31.975 31.700 -0.143 0.000 0.823 353 I N -0.176 120.490 120.570 0.159 0.000 3.133 353 I HA 0.653 4.823 4.170 -0.000 0.000 0.311 353 I C -0.481 175.796 176.117 0.267 0.000 1.072 353 I CA -1.439 59.972 61.300 0.185 0.000 1.015 353 I CB 1.912 39.981 38.000 0.114 0.000 1.233 353 I HN 0.086 nan 8.210 nan 0.000 0.473 354 I N 2.261 122.966 120.570 0.224 0.000 2.533 354 I HA 0.547 4.717 4.170 -0.000 0.000 0.290 354 I C -1.211 174.974 176.117 0.113 0.000 1.056 354 I CA -0.564 60.827 61.300 0.151 0.000 1.057 354 I CB 2.108 40.129 38.000 0.035 0.000 1.240 354 I HN 0.803 nan 8.210 nan 0.000 0.423 355 Y N 3.454 123.586 120.300 -0.279 0.000 2.852 355 Y HA 0.328 4.878 4.550 -0.000 0.000 0.350 355 Y C -1.337 174.487 175.900 -0.125 0.000 1.272 355 Y CA -1.268 56.677 58.100 -0.259 0.000 1.086 355 Y CB 0.780 39.162 38.460 -0.129 0.000 1.408 355 Y HN 0.507 nan 8.280 nan 0.000 0.447 356 H N 1.435 120.357 119.070 -0.247 0.000 2.846 356 H HA 0.418 4.974 4.556 -0.000 0.000 0.278 356 H C 0.594 175.477 175.328 -0.741 0.000 1.117 356 H CA -0.207 55.724 56.048 -0.194 0.000 1.406 356 H CB 0.372 30.209 29.762 0.125 0.000 1.445 356 H HN 1.128 nan 8.280 nan 0.000 0.469 357 G N 3.703 112.005 108.800 -0.829 0.000 2.187 357 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 357 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 357 G C -0.538 173.796 174.900 -0.944 0.000 1.200 357 G CA 0.243 44.512 45.100 -1.385 0.000 0.888 357 G HN 0.946 nan 8.290 nan 0.000 0.482 358 Y N -0.871 118.998 120.300 -0.718 0.000 4.272 358 Y HA -0.276 4.274 4.550 -0.000 0.000 0.232 358 Y C 1.402 177.133 175.900 -0.281 0.000 1.149 358 Y CA 1.154 59.018 58.100 -0.394 0.000 1.961 358 Y CB -2.580 35.723 38.460 -0.262 0.000 1.611 358 Y HN 1.151 nan 8.280 nan 0.000 0.682 359 T N -5.338 109.113 114.554 -0.171 0.000 2.669 359 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 359 T C -0.155 174.571 174.700 0.043 0.000 1.019 359 T CA -0.696 61.433 62.100 0.049 0.000 1.039 359 T CB 0.925 69.837 68.868 0.074 0.000 1.374 359 T HN -0.125 nan 8.240 nan 0.000 0.523 360 F N 1.504 121.495 119.950 0.067 0.000 2.750 360 F HA 0.297 4.824 4.527 -0.000 0.000 0.297 360 F C 1.491 177.344 175.800 0.088 0.000 1.138 360 F CA -0.772 57.262 58.000 0.057 0.000 1.346 360 F CB -0.491 38.528 39.000 0.032 0.000 0.965 360 F HN 0.721 nan 8.300 nan 0.000 0.514 361 T N -1.743 112.993 114.554 0.304 0.000 2.919 361 T HA 0.293 4.643 4.350 -0.000 0.000 0.302 361 T C 0.699 175.524 174.700 0.208 0.000 1.031 361 T CA -0.648 61.613 62.100 0.269 0.000 1.127 361 T CB 1.282 70.349 68.868 0.332 0.000 0.952 361 T HN 0.268 nan 8.240 nan 0.000 0.540 362 S N 2.215 118.002 115.700 0.145 0.000 2.572 362 S HA 0.203 4.673 4.470 -0.000 0.000 0.267 362 S C -0.174 174.477 174.600 0.084 0.000 1.361 362 S CA -0.253 57.992 58.200 0.076 0.000 1.009 362 S CB -0.017 63.224 63.200 0.068 0.000 0.888 362 S HN 0.822 nan 8.310 nan 0.000 0.553 363 K N 0.799 121.199 120.400 0.001 0.000 2.295 363 K HA 0.810 5.130 4.320 -0.000 0.000 0.239 363 K C -0.315 176.306 176.600 0.036 0.000 0.991 363 K CA -0.781 55.502 56.287 -0.006 0.000 0.845 363 K CB 1.554 33.947 32.500 -0.179 0.000 1.197 363 K HN 0.794 nan 8.250 nan 0.000 0.441 364 I N -2.573 118.033 120.570 0.060 0.000 3.181 364 I HA 0.421 4.591 4.170 -0.000 0.000 0.311 364 I C -1.378 174.778 176.117 0.065 0.000 1.287 364 I CA -1.355 59.982 61.300 0.062 0.000 0.958 364 I CB 1.333 39.391 38.000 0.096 0.000 1.294 364 I HN 0.336 nan 8.210 nan 0.000 0.467 365 L N 2.040 123.290 121.223 0.044 0.000 2.326 365 L HA 0.281 4.621 4.340 -0.000 0.000 0.278 365 L C 0.726 177.627 176.870 0.052 0.000 1.092 365 L CA -0.290 54.583 54.840 0.055 0.000 0.810 365 L CB 1.262 43.329 42.059 0.014 0.000 1.153 365 L HN 0.698 nan 8.230 nan 0.000 0.439 366 F N 2.989 122.913 119.950 -0.042 0.000 2.134 366 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 366 F C 2.522 178.229 175.800 -0.154 0.000 1.097 366 F CA 1.933 59.893 58.000 -0.066 0.000 1.264 366 F CB -0.028 38.973 39.000 0.002 0.000 1.001 366 F HN 0.717 nan 8.300 nan 0.000 0.479 367 C N -0.047 119.168 119.300 -0.141 0.000 2.429 367 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 367 C C 2.435 177.238 174.990 -0.311 0.000 1.262 367 C CA 0.972 59.736 59.018 -0.423 0.000 1.733 367 C CB -1.424 25.906 27.740 -0.684 0.000 2.010 367 C HN 0.439 nan 8.230 nan 0.000 0.483 368 D N 1.269 121.548 120.400 -0.202 0.000 2.117 368 D HA -0.088 4.551 4.640 -0.000 0.000 0.197 368 D C 2.411 178.592 176.300 -0.198 0.000 0.987 368 D CA 1.403 55.314 54.000 -0.149 0.000 0.829 368 D CB -0.455 40.297 40.800 -0.080 0.000 0.961 368 D HN 0.446 nan 8.370 nan 0.000 0.460 369 V N 1.048 120.794 119.914 -0.280 0.000 2.295 369 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 369 V C 2.638 178.455 176.094 -0.462 0.000 1.049 369 V CA 1.096 63.139 62.300 -0.428 0.000 1.024 369 V CB -0.429 31.042 31.823 -0.587 0.000 0.648 369 V HN 0.245 nan 8.190 nan 0.000 0.447 370 L N -0.665 120.259 121.223 -0.498 0.000 2.079 370 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 370 L C 2.786 179.515 176.870 -0.235 0.000 1.081 370 L CA 1.768 56.365 54.840 -0.406 0.000 0.752 370 L CB -0.625 41.171 42.059 -0.437 0.000 0.896 370 L HN 0.299 nan 8.230 nan 0.000 0.433 371 R N -0.285 120.101 120.500 -0.191 0.000 2.075 371 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 371 R C 2.457 178.724 176.300 -0.055 0.000 1.126 371 R CA 1.306 57.344 56.100 -0.104 0.000 0.963 371 R CB -0.429 29.822 30.300 -0.081 0.000 0.858 371 R HN 0.340 nan 8.270 nan 0.000 0.435 372 A N 1.171 123.957 122.820 -0.057 0.000 1.902 372 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 372 A C 2.135 179.761 177.584 0.070 0.000 1.181 372 A CA 1.293 53.357 52.037 0.044 0.000 0.623 372 A CB -0.485 18.505 19.000 -0.015 0.000 0.818 372 A HN 0.195 nan 8.150 nan 0.000 0.443 373 I N -1.064 119.458 120.570 -0.080 0.000 2.252 373 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 373 I C 2.701 178.774 176.117 -0.074 0.000 1.102 373 I CA 1.499 62.744 61.300 -0.091 0.000 1.385 373 I CB -0.315 37.569 38.000 -0.193 0.000 1.064 373 I HN 0.390 nan 8.210 nan 0.000 0.414 374 R N 1.124 121.580 120.500 -0.072 0.000 2.091 374 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 374 R C 1.575 177.854 176.300 -0.035 0.000 1.136 374 R CA 2.138 58.209 56.100 -0.048 0.000 0.959 374 R CB -0.244 30.033 30.300 -0.039 0.000 0.856 374 R HN 0.294 nan 8.270 nan 0.000 0.437 375 D N -0.948 119.437 120.400 -0.024 0.000 2.312 375 D HA -0.121 4.519 4.640 -0.000 0.000 0.211 375 D C 0.658 176.789 176.300 -0.281 0.000 0.964 375 D CA 1.143 55.065 54.000 -0.129 0.000 0.877 375 D CB 0.099 40.822 40.800 -0.128 0.000 0.924 375 D HN 0.394 nan 8.370 nan 0.000 0.515 376 Y N -0.549 119.709 120.300 -0.070 0.000 2.471 376 Y HA 0.393 4.943 4.550 -0.000 0.000 0.249 376 Y C 2.003 177.817 175.900 -0.143 0.000 1.116 376 Y CA -0.233 57.826 58.100 -0.068 0.000 1.240 376 Y CB 0.132 38.565 38.460 -0.046 0.000 1.251 376 Y HN -0.137 nan 8.280 nan 0.000 0.527 377 A N 0.351 123.075 122.820 -0.160 0.000 1.940 377 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 377 A C 1.124 178.286 177.584 -0.704 0.000 1.190 377 A CA 2.211 53.914 52.037 -0.558 0.000 0.647 377 A CB -0.923 17.506 19.000 -0.953 0.000 0.821 377 A HN 0.422 nan 8.150 nan 0.000 0.457 378 F N -1.388 118.581 119.950 0.033 0.000 2.698 378 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 378 F C 1.450 177.260 175.800 0.018 0.000 1.108 378 F CA 0.013 58.024 58.000 0.018 0.000 1.263 378 F CB 0.146 39.134 39.000 -0.019 0.000 1.013 378 F HN 0.225 nan 8.300 nan 0.000 0.532 379 K N 1.619 122.095 120.400 0.126 0.000 2.103 379 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 379 K C 1.826 178.496 176.600 0.117 0.000 1.048 379 K CA 1.826 58.175 56.287 0.103 0.000 0.930 379 K CB -0.080 32.490 32.500 0.115 0.000 0.716 379 K HN 0.196 nan 8.250 nan 0.000 0.444 380 A N -0.419 122.478 122.820 0.128 0.000 2.252 380 A HA 0.238 4.558 4.320 -0.000 0.000 0.213 380 A C 0.518 178.192 177.584 0.150 0.000 1.188 380 A CA 0.262 52.375 52.037 0.125 0.000 0.863 380 A CB 0.289 19.359 19.000 0.116 0.000 0.893 380 A HN 0.288 nan 8.150 nan 0.000 0.495 381 S N -1.510 114.302 115.700 0.186 0.000 2.567 381 S HA 0.508 4.978 4.470 -0.000 0.000 0.270 381 S C -2.860 171.889 174.600 0.247 0.000 1.152 381 S CA -0.400 57.934 58.200 0.222 0.000 0.835 381 S CB 1.673 65.049 63.200 0.294 0.000 1.115 381 S HN -0.078 nan 8.310 nan 0.000 0.459 382 P HA 0.222 nan 4.420 nan 0.000 0.252 382 P C -0.254 176.874 177.300 -0.288 0.000 1.211 382 P CA 0.100 63.072 63.100 -0.214 0.000 0.824 382 P CB 0.012 31.419 31.700 -0.488 0.000 1.077 383 Y N 2.858 123.261 120.300 0.171 0.000 2.379 383 Y HA 0.188 4.738 4.550 -0.000 0.000 0.337 383 Y C -1.379 174.721 175.900 0.333 0.000 1.238 383 Y CA -2.519 55.645 58.100 0.106 0.000 1.405 383 Y CB -1.042 37.403 38.460 -0.024 0.000 1.310 383 Y HN -0.039 nan 8.280 nan 0.000 0.569 384 P HA -0.077 nan 4.420 nan 0.000 0.264 384 P C -0.623 176.919 177.300 0.404 0.000 1.179 384 P CA 0.297 63.620 63.100 0.372 0.000 0.763 384 P CB 0.649 32.458 31.700 0.181 0.000 0.806 385 V N 5.069 125.142 119.914 0.264 0.000 2.547 385 V HA 0.373 4.492 4.120 -0.000 0.000 0.299 385 V C 0.656 176.820 176.094 0.117 0.000 1.040 385 V CA -0.653 61.710 62.300 0.105 0.000 0.913 385 V CB 1.392 33.159 31.823 -0.094 0.000 0.992 385 V HN 0.368 nan 8.190 nan 0.000 0.449 386 I N 5.336 125.964 120.570 0.097 0.000 2.404 386 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 386 I C -0.723 175.437 176.117 0.072 0.000 0.992 386 I CA -0.479 60.885 61.300 0.106 0.000 1.149 386 I CB 1.660 39.738 38.000 0.131 0.000 1.315 386 I HN 0.281 nan 8.210 nan 0.000 0.446 387 L N 5.135 126.402 121.223 0.074 0.000 2.305 387 L HA 0.402 4.742 4.340 -0.000 0.000 0.284 387 L C -0.023 176.895 176.870 0.080 0.000 1.013 387 L CA -0.342 54.536 54.840 0.064 0.000 0.819 387 L CB 1.710 43.792 42.059 0.039 0.000 1.227 387 L HN 0.540 nan 8.230 nan 0.000 0.417 388 S N 4.474 120.226 115.700 0.086 0.000 2.430 388 S HA 0.542 5.012 4.470 -0.000 0.000 0.289 388 S C -0.195 174.451 174.600 0.077 0.000 1.143 388 S CA -0.495 57.753 58.200 0.081 0.000 1.067 388 S CB 0.368 63.618 63.200 0.084 0.000 0.964 388 S HN 0.337 nan 8.310 nan 0.000 0.485 389 L N 3.822 125.075 121.223 0.049 0.000 2.272 389 L HA 0.489 4.829 4.340 -0.000 0.000 0.289 389 L C 0.411 177.251 176.870 -0.050 0.000 1.032 389 L CA -0.317 54.540 54.840 0.029 0.000 0.810 389 L CB 1.125 43.203 42.059 0.031 0.000 1.205 389 L HN 0.539 nan 8.230 nan 0.000 0.422 390 E N 3.360 123.512 120.200 -0.080 0.000 2.063 390 E HA 0.127 4.477 4.350 -0.000 0.000 0.265 390 E C -0.830 175.521 176.600 -0.415 0.000 0.919 390 E CA -0.546 55.730 56.400 -0.208 0.000 0.756 390 E CB 0.867 30.517 29.700 -0.083 0.000 1.120 390 E HN 0.402 nan 8.360 nan 0.000 0.414 391 N N 2.763 121.162 118.700 -0.502 0.000 2.414 391 N HA 0.061 4.800 4.740 -0.000 0.000 0.256 391 N C -0.729 174.285 175.510 -0.826 0.000 1.029 391 N CA 0.018 52.746 53.050 -0.537 0.000 0.948 391 N CB 0.446 38.736 38.487 -0.329 0.000 1.102 391 N HN 0.525 nan 8.380 nan 0.000 0.496 392 H N 1.855 120.553 119.070 -0.619 0.000 2.510 392 H HA 0.247 4.803 4.556 -0.000 0.000 0.266 392 H C -0.235 174.869 175.328 -0.374 0.000 1.146 392 H CA -0.333 55.313 56.048 -0.670 0.000 0.993 392 H CB 0.052 28.868 29.762 -1.575 0.000 1.727 392 H HN 0.367 nan 8.280 nan 0.000 0.590 393 C N 2.301 121.475 119.300 -0.211 0.000 2.370 393 C HA 0.336 4.796 4.460 -0.000 0.000 0.354 393 C C 1.345 176.283 174.990 -0.087 0.000 1.218 393 C CA -0.448 58.497 59.018 -0.122 0.000 2.154 393 C CB 0.995 28.634 27.740 -0.169 0.000 2.391 393 C HN 0.672 nan 8.230 nan 0.000 0.540 394 S N 2.823 118.495 115.700 -0.046 0.000 2.587 394 S HA 0.124 4.594 4.470 -0.000 0.000 0.260 394 S C 1.067 175.631 174.600 -0.061 0.000 1.353 394 S CA -0.232 57.946 58.200 -0.037 0.000 0.995 394 S CB 0.216 63.404 63.200 -0.021 0.000 0.912 394 S HN 0.636 nan 8.310 nan 0.000 0.568 395 L N 0.087 121.279 121.223 -0.052 0.000 2.083 395 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 395 L C 2.978 179.809 176.870 -0.065 0.000 1.083 395 L CA 1.869 56.673 54.840 -0.060 0.000 0.752 395 L CB -0.841 41.190 42.059 -0.047 0.000 0.899 395 L HN 0.791 nan 8.230 nan 0.000 0.433 396 E N 0.848 121.016 120.200 -0.055 0.000 2.012 396 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 396 E C 2.139 178.692 176.600 -0.078 0.000 1.007 396 E CA 1.694 58.059 56.400 -0.058 0.000 0.816 396 E CB -0.245 29.429 29.700 -0.043 0.000 0.762 396 E HN 0.396 nan 8.360 nan 0.000 0.451 397 Q N -0.265 119.488 119.800 -0.078 0.000 2.291 397 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 397 Q C 2.306 178.211 176.000 -0.158 0.000 0.976 397 Q CA 1.204 56.945 55.803 -0.104 0.000 0.875 397 Q CB -0.099 28.593 28.738 -0.078 0.000 0.927 397 Q HN 0.484 nan 8.270 nan 0.000 0.450 398 Q N 0.320 120.033 119.800 -0.145 0.000 2.050 398 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 398 Q C 2.057 177.964 176.000 -0.155 0.000 0.980 398 Q CA 1.004 56.705 55.803 -0.170 0.000 0.840 398 Q CB -0.053 28.604 28.738 -0.134 0.000 0.898 398 Q HN 0.287 nan 8.270 nan 0.000 0.424 399 R N -0.137 120.290 120.500 -0.122 0.000 2.105 399 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 399 R C 2.307 178.523 176.300 -0.139 0.000 1.135 399 R CA 1.313 57.348 56.100 -0.108 0.000 0.967 399 R CB -0.309 29.939 30.300 -0.087 0.000 0.861 399 R HN 0.105 nan 8.270 nan 0.000 0.442 400 V N 1.097 120.907 119.914 -0.173 0.000 2.295 400 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 400 V C 2.318 178.235 176.094 -0.295 0.000 1.049 400 V CA 1.845 63.989 62.300 -0.260 0.000 1.024 400 V CB -0.382 31.308 31.823 -0.222 0.000 0.648 400 V HN 0.343 nan 8.190 nan 0.000 0.447 401 M N -0.080 119.366 119.600 -0.257 0.000 2.073 401 M HA -0.240 4.240 4.480 -0.000 0.000 0.258 401 M C 2.424 178.728 176.300 0.008 0.000 1.070 401 M CA 2.447 57.571 55.300 -0.293 0.000 1.103 401 M CB -0.701 31.538 32.600 -0.600 0.000 1.321 401 M HN 0.407 nan 8.290 nan 0.000 0.405 402 A N 0.170 122.957 122.820 -0.055 0.000 1.948 402 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 402 A C 2.119 179.716 177.584 0.022 0.000 1.177 402 A CA 1.841 53.880 52.037 0.003 0.000 0.636 402 A CB -0.687 18.293 19.000 -0.034 0.000 0.815 402 A HN 0.465 nan 8.150 nan 0.000 0.449 403 R N -1.736 118.739 120.500 -0.042 0.000 2.066 403 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 403 R C 2.221 178.551 176.300 0.049 0.000 1.131 403 R CA 1.352 57.424 56.100 -0.047 0.000 0.955 403 R CB -0.436 29.776 30.300 -0.147 0.000 0.851 403 R HN 0.610 nan 8.270 nan 0.000 0.432 404 H N 0.806 119.938 119.070 0.104 0.000 2.353 404 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 404 H C 2.186 177.579 175.328 0.109 0.000 1.090 404 H CA 1.288 57.417 56.048 0.135 0.000 1.327 404 H CB -0.329 29.601 29.762 0.280 0.000 1.383 404 H HN 0.133 nan 8.280 nan 0.000 0.508 405 L N -0.009 121.387 121.223 0.288 0.000 1.989 405 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 405 L C 2.876 179.806 176.870 0.100 0.000 1.071 405 L CA 1.462 56.403 54.840 0.168 0.000 0.749 405 L CB -0.311 41.850 42.059 0.170 0.000 0.890 405 L HN 0.122 nan 8.230 nan 0.000 0.431 406 R N -0.574 119.978 120.500 0.086 0.000 2.073 406 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 406 R C 2.353 178.686 176.300 0.054 0.000 1.134 406 R CA 1.470 57.603 56.100 0.056 0.000 0.952 406 R CB -0.355 29.967 30.300 0.038 0.000 0.850 406 R HN 0.397 nan 8.270 nan 0.000 0.433 407 A N 0.577 123.440 122.820 0.071 0.000 1.902 407 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 407 A C 2.065 179.682 177.584 0.055 0.000 1.181 407 A CA 1.291 53.367 52.037 0.066 0.000 0.623 407 A CB -0.403 18.653 19.000 0.094 0.000 0.818 407 A HN 0.260 nan 8.150 nan 0.000 0.443 408 I N -1.217 119.389 120.570 0.060 0.000 2.296 408 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 408 I C 2.040 178.163 176.117 0.011 0.000 1.087 408 I CA 0.661 61.973 61.300 0.020 0.000 1.393 408 I CB -0.367 37.624 38.000 -0.015 0.000 1.093 408 I HN 0.172 nan 8.210 nan 0.000 0.421 409 L N 0.793 122.026 121.223 0.018 0.000 2.156 409 L HA 0.106 4.446 4.340 -0.000 0.000 0.208 409 L C 1.733 178.625 176.870 0.036 0.000 1.095 409 L CA 1.437 56.291 54.840 0.024 0.000 0.770 409 L CB -1.686 40.391 42.059 0.031 0.000 0.914 409 L HN 0.463 nan 8.230 nan 0.000 0.439 410 G N 0.481 109.302 108.800 0.035 0.000 2.611 410 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.301 410 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.301 410 G C -1.212 173.707 174.900 0.033 0.000 1.233 410 G CA 0.374 45.492 45.100 0.031 0.000 0.993 410 G HN 0.258 nan 8.290 nan 0.000 0.553 411 P HA 0.069 nan 4.420 nan 0.000 0.226 411 P C 1.965 179.285 177.300 0.035 0.000 1.153 411 P CA 1.404 64.518 63.100 0.024 0.000 0.777 411 P CB -0.037 31.670 31.700 0.011 0.000 0.794 412 I N -0.726 119.877 120.570 0.055 0.000 2.493 412 I HA -0.135 4.035 4.170 -0.000 0.000 0.254 412 I C 1.425 177.603 176.117 0.101 0.000 1.160 412 I CA 0.354 61.710 61.300 0.094 0.000 1.445 412 I CB -0.547 37.549 38.000 0.160 0.000 1.086 412 I HN -0.049 nan 8.210 nan 0.000 0.433 413 L N 1.427 122.697 121.223 0.078 0.000 2.455 413 L HA 0.142 4.482 4.340 -0.000 0.000 0.272 413 L C -0.321 176.592 176.870 0.073 0.000 1.174 413 L CA 0.021 54.906 54.840 0.076 0.000 0.869 413 L CB 0.472 42.567 42.059 0.060 0.000 1.130 413 L HN 0.024 nan 8.230 nan 0.000 0.474 414 L N 5.574 126.851 121.223 0.089 0.000 2.268 414 L HA 0.376 4.716 4.340 -0.000 0.000 0.289 414 L C 0.149 177.061 176.870 0.070 0.000 1.064 414 L CA 0.306 55.202 54.840 0.094 0.000 0.824 414 L CB 0.334 42.479 42.059 0.142 0.000 1.202 414 L HN 0.834 nan 8.230 nan 0.000 0.433 415 D N 2.307 122.734 120.400 0.045 0.000 2.469 415 D HA 0.134 4.774 4.640 -0.000 0.000 0.213 415 D C -0.191 176.106 176.300 -0.005 0.000 1.135 415 D CA 0.014 54.025 54.000 0.018 0.000 0.834 415 D CB 0.407 41.216 40.800 0.016 0.000 1.009 415 D HN 0.397 nan 8.370 nan 0.000 0.507 416 Q N 0.432 120.233 119.800 0.002 0.000 2.377 416 Q HA 0.393 4.733 4.340 -0.000 0.000 0.279 416 Q C -2.827 173.165 176.000 -0.013 0.000 1.049 416 Q CA -1.542 54.248 55.803 -0.022 0.000 0.825 416 Q CB 2.528 31.262 28.738 -0.006 0.000 1.401 416 Q HN -0.024 nan 8.270 nan 0.000 0.404 417 P HA 0.100 nan 4.420 nan 0.000 0.270 417 P C -0.385 176.994 177.300 0.131 0.000 1.227 417 P CA -0.182 62.895 63.100 -0.039 0.000 0.788 417 P CB 0.533 32.182 31.700 -0.084 0.000 0.926 418 L N 1.614 123.012 121.223 0.290 0.000 2.349 418 L HA 0.145 4.485 4.340 -0.000 0.000 0.275 418 L C 0.807 177.751 176.870 0.123 0.000 1.115 418 L CA -0.421 54.529 54.840 0.183 0.000 0.820 418 L CB 0.261 42.421 42.059 0.169 0.000 1.135 418 L HN 0.347 nan 8.230 nan 0.000 0.445 419 D N 3.036 123.480 120.400 0.072 0.000 2.451 419 D HA 0.339 4.979 4.640 -0.000 0.000 0.254 419 D C 0.537 176.867 176.300 0.051 0.000 1.204 419 D CA 1.513 55.544 54.000 0.052 0.000 0.896 419 D CB 0.564 41.383 40.800 0.032 0.000 1.136 419 D HN 0.724 nan 8.370 nan 0.000 0.499 420 G N 1.918 110.753 108.800 0.058 0.000 2.464 420 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 420 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 420 G C -0.150 174.800 174.900 0.083 0.000 1.186 420 G CA -0.373 44.757 45.100 0.051 0.000 1.010 420 G HN 1.193 nan 8.290 nan 0.000 0.585 421 V N 0.323 120.269 119.914 0.053 0.000 5.898 421 V HA -0.211 3.909 4.120 -0.000 0.000 0.205 421 V C 1.689 177.877 176.094 0.158 0.000 0.697 421 V CA 3.096 65.431 62.300 0.058 0.000 0.666 421 V CB -1.861 30.021 31.823 0.099 0.000 0.661 421 V HN 2.172 nan 8.190 nan 0.000 0.417 422 T N -2.183 112.430 114.554 0.098 0.000 2.987 422 T HA 0.052 4.402 4.350 -0.000 0.000 0.248 422 T C 1.316 176.179 174.700 0.272 0.000 0.997 422 T CA 0.669 62.898 62.100 0.214 0.000 1.013 422 T CB 0.597 69.552 68.868 0.145 0.000 1.077 422 T HN 0.814 nan 8.240 nan 0.000 0.483 423 T N -1.052 113.513 114.554 0.019 0.000 3.023 423 T HA 0.486 4.836 4.350 -0.000 0.000 0.253 423 T C 0.535 174.948 174.700 -0.478 0.000 1.038 423 T CA -0.308 61.800 62.100 0.014 0.000 0.962 423 T CB 0.261 69.147 68.868 0.030 0.000 1.018 423 T HN 0.218 nan 8.240 nan 0.000 0.521 424 S N -0.139 114.981 115.700 -0.966 0.000 2.618 424 S HA 0.665 5.135 4.470 -0.000 0.000 0.277 424 S C -0.888 173.019 174.600 -1.156 0.000 1.138 424 S CA -0.858 56.700 58.200 -1.070 0.000 0.844 424 S CB 1.435 64.365 63.200 -0.450 0.000 1.127 424 S HN 0.341 nan 8.310 nan 0.000 0.474 425 L N 2.792 123.646 121.223 -0.615 0.000 2.439 425 L HA 0.297 4.637 4.340 -0.000 0.000 0.269 425 L C -2.016 174.653 176.870 -0.336 0.000 1.179 425 L CA -1.485 53.207 54.840 -0.246 0.000 0.828 425 L CB 0.328 42.387 42.059 -0.000 0.000 1.106 425 L HN 0.431 nan 8.230 nan 0.000 0.467 426 P HA 0.040 nan 4.420 nan 0.000 0.280 426 P C -0.961 176.193 177.300 -0.243 0.000 1.278 426 P CA -0.407 62.484 63.100 -0.348 0.000 0.787 426 P CB 0.475 31.914 31.700 -0.435 0.000 1.163 427 S N -1.629 113.951 115.700 -0.200 0.000 2.681 427 S HA 0.463 4.933 4.470 -0.000 0.000 0.299 427 S C -2.057 172.389 174.600 -0.257 0.000 1.113 427 S CA -1.446 56.642 58.200 -0.186 0.000 1.013 427 S CB 1.021 64.143 63.200 -0.129 0.000 1.076 427 S HN 0.131 nan 8.310 nan 0.000 0.534 428 P HA -0.071 nan 4.420 nan 0.000 0.216 428 P C 1.441 178.693 177.300 -0.081 0.000 1.150 428 P CA 1.045 63.839 63.100 -0.511 0.000 0.837 428 P CB 0.086 31.107 31.700 -1.131 0.000 0.786 429 E N -0.164 120.003 120.200 -0.054 0.000 2.051 429 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 429 E C 2.063 178.636 176.600 -0.045 0.000 0.991 429 E CA 1.316 57.743 56.400 0.046 0.000 0.799 429 E CB -0.575 29.134 29.700 0.016 0.000 0.748 429 E HN 0.402 nan 8.360 nan 0.000 0.449 430 Q N -0.280 119.472 119.800 -0.080 0.000 2.234 430 Q HA -0.077 4.263 4.340 -0.000 0.000 0.206 430 Q C 1.617 177.569 176.000 -0.080 0.000 0.980 430 Q CA 0.774 56.528 55.803 -0.082 0.000 0.869 430 Q CB 0.048 28.724 28.738 -0.103 0.000 0.912 430 Q HN 0.209 nan 8.270 nan 0.000 0.436 431 L N 0.042 121.210 121.223 -0.091 0.000 2.910 431 L HA 0.181 4.521 4.340 -0.000 0.000 0.252 431 L C 0.057 176.887 176.870 -0.066 0.000 1.195 431 L CA -0.321 54.482 54.840 -0.062 0.000 1.003 431 L CB 0.353 42.377 42.059 -0.058 0.000 1.328 431 L HN -0.074 nan 8.230 nan 0.000 0.540 432 K N 0.936 121.265 120.400 -0.119 0.000 2.524 432 K HA 0.100 4.420 4.320 -0.000 0.000 0.279 432 K C 1.239 177.651 176.600 -0.312 0.000 0.993 432 K CA 1.047 57.187 56.287 -0.244 0.000 1.030 432 K CB 0.480 32.796 32.500 -0.306 0.000 0.891 432 K HN 0.312 nan 8.250 nan 0.000 0.488 433 G N 2.320 110.786 108.800 -0.556 0.000 2.184 433 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.264 433 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.264 433 G C -0.045 174.614 174.900 -0.402 0.000 0.975 433 G CA 0.352 44.902 45.100 -0.917 0.000 0.642 433 G HN 0.455 nan 8.290 nan 0.000 0.536 434 K N -0.149 120.236 120.400 -0.026 0.000 2.123 434 K HA 0.778 5.097 4.320 -0.000 0.000 0.248 434 K C 0.106 176.906 176.600 0.333 0.000 0.969 434 K CA -0.844 55.539 56.287 0.160 0.000 0.882 434 K CB 1.754 34.308 32.500 0.089 0.000 1.080 434 K HN 0.232 nan 8.250 nan 0.000 0.441 435 I N 3.056 123.772 120.570 0.243 0.000 2.465 435 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 435 I C -0.424 175.779 176.117 0.144 0.000 1.014 435 I CA -0.952 60.456 61.300 0.180 0.000 1.093 435 I CB 1.266 39.334 38.000 0.113 0.000 1.267 435 I HN 0.290 nan 8.210 nan 0.000 0.431 436 L N 5.253 126.564 121.223 0.145 0.000 2.346 436 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 436 L C -1.029 175.916 176.870 0.125 0.000 1.007 436 L CA -0.939 53.991 54.840 0.149 0.000 0.818 436 L CB 1.665 43.845 42.059 0.201 0.000 1.284 436 L HN 0.404 nan 8.230 nan 0.000 0.424 437 L N 2.550 123.838 121.223 0.110 0.000 2.357 437 L HA 0.564 4.904 4.340 -0.000 0.000 0.273 437 L C 0.023 176.951 176.870 0.098 0.000 1.080 437 L CA -0.420 54.475 54.840 0.091 0.000 0.803 437 L CB 1.457 43.558 42.059 0.071 0.000 1.174 437 L HN 0.687 nan 8.230 nan 0.000 0.443 438 K N 1.559 122.012 120.400 0.088 0.000 2.378 438 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 438 K C -0.736 175.895 176.600 0.052 0.000 0.931 438 K CA -0.225 56.115 56.287 0.088 0.000 0.794 438 K CB 2.346 34.911 32.500 0.109 0.000 1.181 438 K HN 0.834 nan 8.250 nan 0.000 0.425 439 G N 2.372 111.191 108.800 0.032 0.000 2.323 439 G HA2 0.112 4.072 3.960 -0.000 0.000 0.291 439 G HA3 0.112 4.072 3.960 -0.000 0.000 0.291 439 G C -1.620 173.265 174.900 -0.026 0.000 1.278 439 G CA -0.866 44.228 45.100 -0.010 0.000 0.860 439 G HN 0.435 nan 8.290 nan 0.000 0.504 440 K N 0.500 120.864 120.400 -0.059 0.000 2.270 440 K HA 0.436 4.756 4.320 -0.000 0.000 0.276 440 K C -0.446 176.123 176.600 -0.052 0.000 1.023 440 K CA -0.172 56.075 56.287 -0.066 0.000 0.955 440 K CB 1.717 34.161 32.500 -0.092 0.000 0.975 440 K HN 0.432 nan 8.250 nan 0.000 0.471 441 K N 3.155 123.530 120.400 -0.043 0.000 2.378 441 K HA 0.293 4.613 4.320 -0.000 0.000 0.252 441 K C -0.091 176.485 176.600 -0.041 0.000 0.931 441 K CA -0.617 55.644 56.287 -0.042 0.000 0.794 441 K CB 1.177 33.654 32.500 -0.038 0.000 1.181 441 K HN 0.443 nan 8.250 nan 0.000 0.425 488 L N 2.070 123.259 121.223 -0.057 0.000 2.406 488 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 488 L C -0.693 176.141 176.870 -0.060 0.000 0.982 488 L CA -1.061 53.738 54.840 -0.068 0.000 0.843 488 L CB 1.492 43.510 42.059 -0.069 0.000 1.225 488 L HN 0.028 nan 8.230 nan 0.000 0.412 489 V N 4.093 123.968 119.914 -0.065 0.000 2.872 489 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 489 V C -1.822 174.240 176.094 -0.054 0.000 1.072 489 V CA -0.536 61.729 62.300 -0.057 0.000 1.148 489 V CB 0.438 32.224 31.823 -0.063 0.000 0.954 489 V HN 0.797 nan 8.190 nan 0.000 0.490 490 P HA -0.051 nan 4.420 nan 0.000 0.217 490 P C 1.476 178.751 177.300 -0.043 0.000 1.150 490 P CA 1.325 64.399 63.100 -0.044 0.000 0.832 490 P CB 0.203 31.879 31.700 -0.039 0.000 0.787 491 E N -0.632 119.542 120.200 -0.043 0.000 2.114 491 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 491 E C 1.930 178.509 176.600 -0.036 0.000 1.008 491 E CA 1.229 57.606 56.400 -0.039 0.000 0.810 491 E CB -0.856 28.817 29.700 -0.045 0.000 0.739 491 E HN 0.219 nan 8.360 nan 0.000 0.456 492 L N -0.735 120.461 121.223 -0.046 0.000 2.071 492 L HA -0.069 4.271 4.340 -0.000 0.000 0.201 492 L C 2.488 179.334 176.870 -0.039 0.000 1.076 492 L CA 0.911 55.726 54.840 -0.042 0.000 0.755 492 L CB -0.498 41.523 42.059 -0.063 0.000 0.915 492 L HN 0.126 nan 8.230 nan 0.000 0.445 493 S N -0.059 115.612 115.700 -0.048 0.000 2.392 493 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 493 S C 1.495 176.065 174.600 -0.050 0.000 1.041 493 S CA 1.891 60.062 58.200 -0.049 0.000 1.026 493 S CB -0.326 62.843 63.200 -0.052 0.000 0.845 493 S HN 0.388 nan 8.310 nan 0.000 0.465 494 D N 0.460 120.832 120.400 -0.047 0.000 2.310 494 D HA 0.011 4.650 4.640 -0.000 0.000 0.212 494 D C 1.627 177.898 176.300 -0.047 0.000 0.965 494 D CA 0.764 54.733 54.000 -0.051 0.000 0.879 494 D CB -0.206 40.568 40.800 -0.044 0.000 0.921 494 D HN 0.505 nan 8.370 nan 0.000 0.510 495 M N -0.074 119.507 119.600 -0.031 0.000 2.514 495 M HA 0.013 4.493 4.480 -0.000 0.000 0.258 495 M C 0.069 176.362 176.300 -0.013 0.000 1.119 495 M CA 0.239 55.531 55.300 -0.014 0.000 1.111 495 M CB 0.648 33.253 32.600 0.007 0.000 1.390 495 M HN -0.186 nan 8.290 nan 0.000 0.475 496 I N 1.704 122.259 120.570 -0.025 0.000 2.406 496 I HA -0.017 4.153 4.170 -0.000 0.000 0.293 496 I C 0.865 176.943 176.117 -0.065 0.000 1.101 496 I CA 0.199 61.489 61.300 -0.017 0.000 1.334 496 I CB -0.157 37.833 38.000 -0.017 0.000 1.421 496 I HN 0.172 nan 8.210 nan 0.000 0.513 497 I N 5.733 126.261 120.570 -0.069 0.000 2.962 497 I HA -0.054 4.116 4.170 -0.000 0.000 0.246 497 I C 1.353 177.288 176.117 -0.302 0.000 1.091 497 I CA 1.149 62.300 61.300 -0.249 0.000 1.469 497 I CB -0.852 36.958 38.000 -0.317 0.000 1.324 497 I HN 0.403 nan 8.210 nan 0.000 0.461 498 Y N 0.593 120.962 120.300 0.116 0.000 2.458 498 Y HA 0.210 4.760 4.550 -0.000 0.000 0.256 498 Y C 0.556 176.590 175.900 0.222 0.000 1.159 498 Y CA -0.421 57.803 58.100 0.207 0.000 1.261 498 Y CB 0.202 38.801 38.460 0.231 0.000 1.119 498 Y HN 0.139 nan 8.280 nan 0.000 0.524 499 C N 1.156 120.614 119.300 0.264 0.000 3.328 499 C HA 0.276 4.736 4.460 -0.000 0.000 0.230 499 C C -0.007 175.074 174.990 0.151 0.000 1.232 499 C CA -1.610 57.540 59.018 0.221 0.000 1.431 499 C CB -0.815 27.048 27.740 0.205 0.000 1.818 499 C HN 0.222 nan 8.230 nan 0.000 0.484 500 K N 1.810 122.306 120.400 0.160 0.000 2.297 500 K HA 0.358 4.678 4.320 -0.000 0.000 0.286 500 K C 0.096 176.739 176.600 0.072 0.000 1.053 500 K CA 0.183 56.532 56.287 0.102 0.000 0.940 500 K CB 0.597 33.180 32.500 0.138 0.000 1.019 500 K HN 0.586 nan 8.250 nan 0.000 0.475 501 S N 2.883 118.597 115.700 0.024 0.000 2.533 501 S HA 0.192 4.662 4.470 -0.000 0.000 0.282 501 S C -0.127 174.433 174.600 -0.066 0.000 1.304 501 S CA -0.795 57.397 58.200 -0.013 0.000 1.063 501 S CB 0.724 63.892 63.200 -0.054 0.000 0.881 501 S HN 0.524 nan 8.310 nan 0.000 0.493 502 V N 0.763 120.640 119.914 -0.062 0.000 3.078 502 V HA 0.586 4.706 4.120 -0.000 0.000 0.311 502 V C -0.768 175.257 176.094 -0.116 0.000 1.138 502 V CA -1.112 61.129 62.300 -0.099 0.000 1.007 502 V CB 1.517 33.343 31.823 0.004 0.000 1.045 502 V HN 0.817 nan 8.190 nan 0.000 0.432 503 H N 1.829 120.903 119.070 0.006 0.000 2.562 503 H HA 0.381 4.937 4.556 -0.000 0.000 0.352 503 H C -0.506 174.829 175.328 0.012 0.000 1.125 503 H CA -0.423 55.620 56.048 -0.009 0.000 1.379 503 H CB 1.324 31.073 29.762 -0.022 0.000 1.464 503 H HN 0.763 nan 8.280 nan 0.000 0.563 504 F N 2.394 122.302 119.950 -0.070 0.000 2.557 504 F HA 0.106 4.633 4.527 -0.000 0.000 0.384 504 F C 1.128 176.865 175.800 -0.104 0.000 1.057 504 F CA -0.236 57.674 58.000 -0.151 0.000 1.169 504 F CB 0.209 39.048 39.000 -0.269 0.000 1.070 504 F HN 0.610 nan 8.300 nan 0.000 0.554 505 G N 3.583 112.029 108.800 -0.591 0.000 2.499 505 G HA2 0.428 4.388 3.960 -0.000 0.000 0.213 505 G HA3 0.428 4.388 3.960 -0.000 0.000 0.213 505 G C 0.466 174.643 174.900 -1.205 0.000 1.230 505 G CA 0.550 45.271 45.100 -0.631 0.000 0.813 505 G HN 1.288 nan 8.290 nan 0.000 0.542 506 G N -1.957 105.934 108.800 -1.514 0.000 2.324 506 G HA2 0.384 4.344 3.960 -0.000 0.000 0.293 506 G HA3 0.384 4.344 3.960 -0.000 0.000 0.293 506 G C -1.560 173.011 174.900 -0.549 0.000 1.297 506 G CA -1.022 43.243 45.100 -1.391 0.000 0.853 506 G HN 0.198 nan 8.290 nan 0.000 0.535 507 F N 1.487 121.417 119.950 -0.033 0.000 2.420 507 F HA 0.450 4.977 4.527 -0.000 0.000 0.352 507 F C 1.785 177.618 175.800 0.055 0.000 1.108 507 F CA -0.447 57.597 58.000 0.074 0.000 1.162 507 F CB 1.695 40.762 39.000 0.113 0.000 1.118 507 F HN 0.403 nan 8.300 nan 0.000 0.510 508 S N -0.630 115.242 115.700 0.286 0.000 2.607 508 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 508 S C 2.071 176.753 174.600 0.138 0.000 0.969 508 S CA 0.632 58.934 58.200 0.169 0.000 0.927 508 S CB -0.294 63.001 63.200 0.159 0.000 0.772 508 S HN 0.628 nan 8.310 nan 0.000 0.533 509 S N 2.916 118.709 115.700 0.155 0.000 2.420 509 S HA -0.031 4.439 4.470 -0.000 0.000 0.237 509 S C -0.744 173.906 174.600 0.083 0.000 1.023 509 S CA 1.124 59.391 58.200 0.112 0.000 0.991 509 S CB -0.999 62.266 63.200 0.109 0.000 0.792 509 S HN 0.572 nan 8.310 nan 0.000 0.488 510 P HA 0.239 nan 4.420 nan 0.000 0.252 510 P C 0.492 177.819 177.300 0.044 0.000 1.265 510 P CA 0.441 63.572 63.100 0.052 0.000 0.775 510 P CB -0.191 31.534 31.700 0.041 0.000 1.128 511 G N -0.529 108.303 108.800 0.054 0.000 2.677 511 G HA2 0.340 4.300 3.960 -0.000 0.000 0.283 511 G HA3 0.340 4.300 3.960 -0.000 0.000 0.283 511 G C 0.457 175.393 174.900 0.060 0.000 1.221 511 G CA 0.380 45.509 45.100 0.049 0.000 0.851 511 G HN 0.041 nan 8.290 nan 0.000 0.504 512 T N -2.253 112.337 114.554 0.059 0.000 2.990 512 T HA 0.361 4.711 4.350 -0.000 0.000 0.237 512 T C 1.550 176.300 174.700 0.083 0.000 1.009 512 T CA 1.537 63.677 62.100 0.068 0.000 1.195 512 T CB -0.449 68.455 68.868 0.061 0.000 0.885 512 T HN 1.343 nan 8.240 nan 0.000 0.424 513 S N -0.221 115.525 115.700 0.076 0.000 2.786 513 S HA 0.844 5.314 4.470 -0.000 0.000 0.307 513 S C 0.315 174.964 174.600 0.081 0.000 1.121 513 S CA -0.033 58.218 58.200 0.085 0.000 0.975 513 S CB 1.557 64.800 63.200 0.071 0.000 1.220 513 S HN 0.903 nan 8.310 nan 0.000 0.550 514 G N 0.124 108.977 108.800 0.088 0.000 3.349 514 G HA2 0.301 4.261 3.960 -0.000 0.000 0.155 514 G HA3 0.301 4.261 3.960 -0.000 0.000 0.155 514 G C -1.258 173.682 174.900 0.067 0.000 1.219 514 G CA -0.343 44.805 45.100 0.079 0.000 1.356 514 G HN 0.984 nan 8.290 nan 0.000 0.687 515 Q N 0.746 120.625 119.800 0.132 0.000 2.327 515 Q HA 0.649 4.989 4.340 -0.000 0.000 0.254 515 Q C 0.126 176.097 176.000 -0.047 0.000 0.952 515 Q CA -0.114 55.729 55.803 0.066 0.000 0.884 515 Q CB 1.580 30.423 28.738 0.175 0.000 1.224 515 Q HN 0.654 nan 8.270 nan 0.000 0.422 516 A N 2.426 125.061 122.820 -0.308 0.000 2.425 516 A HA 0.231 4.551 4.320 -0.000 0.000 0.242 516 A C 0.524 177.802 177.584 -0.509 0.000 1.077 516 A CA -0.504 51.148 52.037 -0.641 0.000 0.781 516 A CB -0.221 17.762 19.000 -1.693 0.000 1.020 516 A HN 0.882 nan 8.150 nan 0.000 0.494 517 F N 0.364 120.173 119.950 -0.234 0.000 2.250 517 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 517 F C 1.295 177.112 175.800 0.029 0.000 1.077 517 F CA 1.430 59.408 58.000 -0.037 0.000 1.348 517 F CB -1.202 37.839 39.000 0.069 0.000 1.040 517 F HN 0.591 nan 8.300 nan 0.000 0.509 518 Y N 0.168 120.259 120.300 -0.348 0.000 2.470 518 Y HA 0.499 5.049 4.550 -0.000 0.000 0.302 518 Y C -0.457 175.447 175.900 0.006 0.000 1.194 518 Y CA -1.523 56.532 58.100 -0.075 0.000 1.271 518 Y CB -1.476 36.802 38.460 -0.305 0.000 1.092 518 Y HN 0.175 nan 8.280 nan 0.000 0.513 519 E N 1.857 121.976 120.200 -0.135 0.000 2.199 519 E HA 0.457 4.807 4.350 -0.000 0.000 0.269 519 E C -1.304 175.368 176.600 0.121 0.000 0.899 519 E CA -0.914 55.490 56.400 0.007 0.000 0.772 519 E CB 2.293 31.927 29.700 -0.110 0.000 1.155 519 E HN 0.344 nan 8.360 nan 0.000 0.408 520 M N 2.552 122.244 119.600 0.153 0.000 2.253 520 M HA 0.589 5.069 4.480 -0.000 0.000 0.314 520 M C -1.514 174.893 176.300 0.179 0.000 1.019 520 M CA -0.442 54.980 55.300 0.203 0.000 0.932 520 M CB 1.356 34.078 32.600 0.204 0.000 1.606 520 M HN 0.665 nan 8.290 nan 0.000 0.430 521 A N 3.119 126.087 122.820 0.246 0.000 2.281 521 A HA 0.900 5.220 4.320 -0.000 0.000 0.329 521 A C -0.821 176.796 177.584 0.055 0.000 1.122 521 A CA -0.573 51.522 52.037 0.097 0.000 0.850 521 A CB 1.245 20.300 19.000 0.092 0.000 1.207 521 A HN 0.794 nan 8.150 nan 0.000 0.495 522 S N -0.630 114.949 115.700 -0.202 0.000 2.568 522 S HA 0.836 5.306 4.470 -0.000 0.000 0.293 522 S C -1.436 172.965 174.600 -0.331 0.000 1.089 522 S CA -0.217 57.994 58.200 0.018 0.000 0.945 522 S CB 0.942 64.277 63.200 0.224 0.000 1.077 522 S HN 0.458 nan 8.310 nan 0.000 0.485 523 F N 0.977 121.041 119.950 0.190 0.000 2.569 523 F HA 0.525 5.052 4.527 -0.000 0.000 0.312 523 F C 0.686 176.171 175.800 -0.526 0.000 1.109 523 F CA -0.997 56.976 58.000 -0.046 0.000 0.919 523 F CB 1.428 40.394 39.000 -0.056 0.000 1.211 523 F HN 0.583 nan 8.300 nan 0.000 0.446 524 S N 0.373 115.751 115.700 -0.538 0.000 2.608 524 S HA 0.137 4.607 4.470 -0.000 0.000 0.261 524 S C 1.232 175.503 174.600 -0.549 0.000 1.314 524 S CA -0.006 57.557 58.200 -1.062 0.000 0.992 524 S CB 1.100 64.016 63.200 -0.473 0.000 0.935 524 S HN 0.884 nan 8.310 nan 0.000 0.564 525 E N 1.140 120.975 120.200 -0.609 0.000 2.049 525 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 525 E C 1.882 178.323 176.600 -0.266 0.000 1.007 525 E CA 1.976 58.048 56.400 -0.546 0.000 0.809 525 E CB -0.530 28.803 29.700 -0.611 0.000 0.749 525 E HN 0.801 nan 8.360 nan 0.000 0.450 526 S N 0.794 116.399 115.700 -0.157 0.000 2.348 526 S HA -0.214 4.256 4.470 -0.000 0.000 0.221 526 S C 2.042 176.622 174.600 -0.033 0.000 1.033 526 S CA 1.321 59.491 58.200 -0.050 0.000 1.010 526 S CB -0.530 62.678 63.200 0.013 0.000 0.891 526 S HN 0.290 nan 8.310 nan 0.000 0.442 527 R N 1.645 122.129 120.500 -0.027 0.000 2.091 527 R HA -0.080 4.260 4.340 -0.000 0.000 0.238 527 R C 2.450 178.766 176.300 0.027 0.000 1.136 527 R CA 1.287 57.403 56.100 0.027 0.000 0.959 527 R CB -0.622 29.726 30.300 0.081 0.000 0.856 527 R HN 0.443 nan 8.270 nan 0.000 0.437 528 A N 1.099 123.923 122.820 0.007 0.000 1.877 528 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 528 A C 2.198 179.802 177.584 0.032 0.000 1.186 528 A CA 1.328 53.378 52.037 0.022 0.000 0.620 528 A CB -0.593 18.383 19.000 -0.040 0.000 0.822 528 A HN 0.345 nan 8.150 nan 0.000 0.443 529 L N -0.970 120.242 121.223 -0.019 0.000 2.042 529 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 529 L C 2.796 179.676 176.870 0.016 0.000 1.076 529 L CA 1.917 56.752 54.840 -0.009 0.000 0.749 529 L CB -0.508 41.538 42.059 -0.022 0.000 0.893 529 L HN 0.535 nan 8.230 nan 0.000 0.432 530 R N 0.817 121.327 120.500 0.017 0.000 2.070 530 R HA -0.169 4.171 4.340 -0.000 0.000 0.233 530 R C 2.348 178.672 176.300 0.040 0.000 1.137 530 R CA 1.483 57.596 56.100 0.023 0.000 0.945 530 R CB -0.384 29.928 30.300 0.020 0.000 0.845 530 R HN 0.251 nan 8.270 nan 0.000 0.430 531 L N 0.759 122.007 121.223 0.042 0.000 2.127 531 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 531 L C 2.387 179.354 176.870 0.161 0.000 1.089 531 L CA 1.113 55.991 54.840 0.064 0.000 0.757 531 L CB -0.250 41.744 42.059 -0.109 0.000 0.899 531 L HN 0.341 nan 8.230 nan 0.000 0.434 532 L N -1.060 120.259 121.223 0.160 0.000 2.131 532 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 532 L C 2.603 179.498 176.870 0.042 0.000 1.087 532 L CA 0.871 55.783 54.840 0.120 0.000 0.767 532 L CB -0.287 41.802 42.059 0.049 0.000 0.917 532 L HN 0.285 nan 8.230 nan 0.000 0.441 533 Q N 0.614 120.433 119.800 0.031 0.000 2.079 533 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 533 Q C 1.873 177.881 176.000 0.013 0.000 0.974 533 Q CA 1.820 57.627 55.803 0.008 0.000 0.840 533 Q CB 0.106 28.849 28.738 0.007 0.000 0.898 533 Q HN 0.486 nan 8.270 nan 0.000 0.430 534 E N -0.546 119.676 120.200 0.036 0.000 2.102 534 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 534 E C 0.345 176.982 176.600 0.061 0.000 0.971 534 E CA 0.962 57.386 56.400 0.041 0.000 0.821 534 E CB 0.489 30.217 29.700 0.046 0.000 0.777 534 E HN 0.141 nan 8.360 nan 0.000 0.460 535 S N 0.452 116.216 115.700 0.106 0.000 2.558 535 S HA 0.245 4.715 4.470 -0.000 0.000 0.238 535 S C 1.061 175.720 174.600 0.099 0.000 1.183 535 S CA -0.163 58.123 58.200 0.143 0.000 1.185 535 S CB 1.097 64.485 63.200 0.314 0.000 1.003 535 S HN 0.340 nan 8.310 nan 0.000 0.478 536 G N 3.369 112.187 108.800 0.030 0.000 2.574 536 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.220 536 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.220 536 G C 1.333 176.191 174.900 -0.070 0.000 1.173 536 G CA 1.236 46.319 45.100 -0.029 0.000 0.772 536 G HN 0.607 nan 8.290 nan 0.000 0.585 537 N N 0.967 119.615 118.700 -0.087 0.000 2.396 537 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 537 N C 2.312 177.771 175.510 -0.085 0.000 1.028 537 N CA 1.141 54.139 53.050 -0.086 0.000 0.893 537 N CB -0.239 38.202 38.487 -0.076 0.000 0.967 537 N HN 0.309 nan 8.380 nan 0.000 0.440 538 G N 0.245 108.972 108.800 -0.122 0.000 2.395 538 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 538 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 538 G C 1.203 175.648 174.900 -0.758 0.000 1.177 538 G CA -0.028 44.910 45.100 -0.270 0.000 0.794 538 G HN 0.238 nan 8.290 nan 0.000 0.532 539 F N 1.624 120.942 119.950 -1.053 0.000 2.095 539 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 539 F C 2.829 178.389 175.800 -0.398 0.000 1.104 539 F CA 0.682 58.102 58.000 -0.966 0.000 1.232 539 F CB -0.683 38.044 39.000 -0.455 0.000 0.987 539 F HN 0.006 nan 8.300 nan 0.000 0.475 540 V N 0.759 120.636 119.914 -0.062 0.000 2.255 540 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 540 V C 2.608 178.690 176.094 -0.021 0.000 1.051 540 V CA 2.324 64.595 62.300 -0.048 0.000 1.018 540 V CB -0.651 31.178 31.823 0.009 0.000 0.641 540 V HN 0.248 nan 8.190 nan 0.000 0.445 541 R N -1.026 119.461 120.500 -0.021 0.000 2.091 541 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 541 R C 2.384 178.711 176.300 0.046 0.000 1.136 541 R CA 1.687 57.795 56.100 0.012 0.000 0.959 541 R CB -0.741 29.574 30.300 0.025 0.000 0.856 541 R HN 0.695 nan 8.270 nan 0.000 0.437 542 H N 1.242 120.279 119.070 -0.056 0.000 2.319 542 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 542 H C 1.116 176.528 175.328 0.140 0.000 1.092 542 H CA 1.512 57.605 56.048 0.075 0.000 1.302 542 H CB 0.079 29.873 29.762 0.053 0.000 1.373 542 H HN 0.119 nan 8.280 nan 0.000 0.497 543 N N 0.739 119.468 118.700 0.049 0.000 2.609 543 N HA -0.081 4.659 4.740 -0.000 0.000 0.190 543 N C 1.862 177.350 175.510 -0.037 0.000 1.157 543 N CA 0.360 53.408 53.050 -0.002 0.000 0.918 543 N CB 0.073 38.559 38.487 -0.001 0.000 0.978 543 N HN 0.238 nan 8.380 nan 0.000 0.448 544 V N 0.206 120.091 119.914 -0.049 0.000 2.488 544 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 544 V C 1.811 177.932 176.094 0.045 0.000 1.046 544 V CA 1.821 64.073 62.300 -0.080 0.000 1.053 544 V CB -0.168 31.610 31.823 -0.075 0.000 0.679 544 V HN 0.359 nan 8.190 nan 0.000 0.458 545 S N -3.136 112.595 115.700 0.053 0.000 2.526 545 S HA 0.185 4.655 4.470 -0.000 0.000 0.220 545 S C 0.411 175.074 174.600 0.104 0.000 1.017 545 S CA -0.406 57.862 58.200 0.113 0.000 0.930 545 S CB 0.040 63.306 63.200 0.110 0.000 0.856 545 S HN 0.420 nan 8.310 nan 0.000 0.497 546 C N 1.907 121.207 119.300 -0.001 0.000 2.561 546 C HA 0.627 5.086 4.460 -0.000 0.000 0.319 546 C C -0.051 174.994 174.990 0.091 0.000 1.198 546 C CA -1.098 57.924 59.018 0.007 0.000 1.665 546 C CB 1.033 28.629 27.740 -0.240 0.000 2.258 546 C HN 0.507 nan 8.230 nan 0.000 0.493 547 L N 2.489 123.826 121.223 0.191 0.000 2.305 547 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 547 L C 0.223 177.290 176.870 0.328 0.000 1.085 547 L CA 0.497 55.483 54.840 0.242 0.000 0.813 547 L CB 1.079 43.287 42.059 0.249 0.000 1.157 547 L HN 0.691 nan 8.230 nan 0.000 0.436 548 S N 3.211 119.131 115.700 0.366 0.000 2.473 548 S HA 0.535 5.005 4.470 -0.000 0.000 0.307 548 S C -0.546 174.316 174.600 0.436 0.000 1.094 548 S CA -0.665 57.852 58.200 0.528 0.000 1.070 548 S CB 1.876 65.418 63.200 0.571 0.000 1.019 548 S HN 0.529 nan 8.310 nan 0.000 0.480 549 R N 3.081 123.875 120.500 0.490 0.000 2.514 549 R HA 0.597 4.937 4.340 -0.000 0.000 0.301 549 R C -1.246 175.342 176.300 0.480 0.000 0.962 549 R CA -0.524 55.822 56.100 0.410 0.000 0.882 549 R CB 0.447 30.952 30.300 0.341 0.000 1.143 549 R HN 0.436 nan 8.270 nan 0.000 0.452 550 I N 4.981 125.773 120.570 0.369 0.000 2.646 550 I HA 0.419 4.589 4.170 -0.000 0.000 0.299 550 I C -0.641 175.619 176.117 0.239 0.000 1.036 550 I CA -1.012 60.429 61.300 0.234 0.000 1.074 550 I CB 1.274 39.342 38.000 0.112 0.000 1.258 550 I HN 0.709 nan 8.210 nan 0.000 0.430 551 Y N 3.125 123.438 120.300 0.022 0.000 2.588 551 Y HA 0.781 5.331 4.550 -0.000 0.000 0.343 551 Y C -3.084 172.659 175.900 -0.261 0.000 1.065 551 Y CA -3.286 54.773 58.100 -0.068 0.000 1.038 551 Y CB 0.755 39.199 38.460 -0.026 0.000 1.297 551 Y HN 0.273 nan 8.280 nan 0.000 0.467 552 P HA 0.175 nan 4.420 nan 0.000 0.268 552 P C -0.350 176.789 177.300 -0.268 0.000 1.205 552 P CA 0.202 63.151 63.100 -0.252 0.000 0.771 552 P CB 0.599 32.174 31.700 -0.209 0.000 0.858 553 A N 3.384 125.988 122.820 -0.360 0.000 2.587 553 A HA 0.226 4.546 4.320 -0.000 0.000 0.233 553 A C 1.983 179.398 177.584 -0.282 0.000 1.049 553 A CA 0.638 52.508 52.037 -0.279 0.000 0.754 553 A CB -0.784 18.065 19.000 -0.251 0.000 0.977 553 A HN 0.719 nan 8.150 nan 0.000 0.509 554 G N 1.627 110.420 108.800 -0.011 0.000 2.462 554 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 554 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 554 G C 1.201 176.139 174.900 0.063 0.000 1.121 554 G CA 1.115 46.263 45.100 0.080 0.000 0.758 554 G HN 1.054 nan 8.290 nan 0.000 0.559 555 W N 0.697 122.042 121.300 0.074 0.000 2.825 555 W HA 0.203 4.863 4.660 -0.000 0.000 0.243 555 W C 0.625 177.182 176.519 0.063 0.000 1.293 555 W CA -0.238 57.144 57.345 0.061 0.000 1.403 555 W CB -0.299 29.184 29.460 0.039 0.000 1.134 555 W HN 0.088 nan 8.180 nan 0.000 0.666 556 R N 2.431 122.600 120.500 -0.552 0.000 4.779 556 R HA 0.019 4.359 4.340 -0.000 0.000 0.217 556 R C 1.735 177.954 176.300 -0.135 0.000 1.934 556 R CA 0.674 56.467 56.100 -0.512 0.000 1.623 556 R CB -0.391 29.471 30.300 -0.730 0.000 1.364 556 R HN 0.126 nan 8.270 nan 0.000 0.799 557 T N -2.523 112.041 114.554 0.015 0.000 3.077 557 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 557 T C 1.118 175.847 174.700 0.047 0.000 1.146 557 T CA 1.095 63.238 62.100 0.071 0.000 1.091 557 T CB -0.068 68.870 68.868 0.116 0.000 0.892 557 T HN 0.338 nan 8.240 nan 0.000 0.533 558 D N 0.143 120.557 120.400 0.023 0.000 2.339 558 D HA 0.140 4.780 4.640 -0.000 0.000 0.217 558 D C 0.665 176.953 176.300 -0.020 0.000 1.050 558 D CA 0.096 54.106 54.000 0.016 0.000 0.856 558 D CB -0.437 40.385 40.800 0.036 0.000 0.922 558 D HN 0.322 nan 8.370 nan 0.000 0.518 559 S N -0.937 114.737 115.700 -0.044 0.000 3.482 559 S HA -0.193 4.277 4.470 -0.000 0.000 0.294 559 S C 0.465 175.015 174.600 -0.084 0.000 1.244 559 S CA 0.590 58.754 58.200 -0.059 0.000 0.911 559 S CB -2.328 60.839 63.200 -0.055 0.000 1.070 559 S HN 0.772 nan 8.310 nan 0.000 0.614 560 S N 1.368 117.007 115.700 -0.102 0.000 2.596 560 S HA 0.539 5.009 4.470 -0.000 0.000 0.260 560 S C -0.008 174.506 174.600 -0.142 0.000 1.336 560 S CA -0.480 57.658 58.200 -0.103 0.000 0.993 560 S CB 0.604 63.759 63.200 -0.075 0.000 0.923 560 S HN 0.399 nan 8.310 nan 0.000 0.567 561 N N 0.305 118.924 118.700 -0.136 0.000 2.292 561 N HA 0.439 5.179 4.740 -0.000 0.000 0.303 561 N C -0.987 174.446 175.510 -0.129 0.000 1.140 561 N CA -0.496 52.438 53.050 -0.193 0.000 0.788 561 N CB 1.556 39.870 38.487 -0.289 0.000 1.361 561 N HN 0.796 nan 8.380 nan 0.000 0.489 562 Y N -1.043 119.167 120.300 -0.150 0.000 2.408 562 Y HA 0.530 5.080 4.550 -0.000 0.000 0.324 562 Y C 0.860 176.693 175.900 -0.113 0.000 1.302 562 Y CA -1.202 56.834 58.100 -0.107 0.000 1.384 562 Y CB 0.026 38.417 38.460 -0.115 0.000 1.367 562 Y HN 0.309 nan 8.280 nan 0.000 0.525 563 S N 2.048 117.760 115.700 0.020 0.000 2.489 563 S HA 0.289 4.759 4.470 -0.000 0.000 0.277 563 S C -1.669 172.828 174.600 -0.171 0.000 1.230 563 S CA -1.440 56.697 58.200 -0.105 0.000 1.053 563 S CB 0.576 63.770 63.200 -0.011 0.000 0.955 563 S HN 0.642 nan 8.310 nan 0.000 0.488 564 P HA -0.025 nan 4.420 nan 0.000 0.220 564 P C 1.633 178.343 177.300 -0.983 0.000 1.152 564 P CA 0.505 63.148 63.100 -0.763 0.000 0.812 564 P CB -0.136 30.921 31.700 -1.072 0.000 0.792 565 V N 1.288 120.808 119.914 -0.656 0.000 2.278 565 V HA -0.240 3.880 4.120 -0.000 0.000 0.251 565 V C 2.665 178.712 176.094 -0.080 0.000 1.062 565 V CA 2.066 64.234 62.300 -0.220 0.000 1.038 565 V CB -1.182 30.658 31.823 0.028 0.000 0.646 565 V HN 0.107 nan 8.190 nan 0.000 0.447 566 E N -0.584 119.566 120.200 -0.084 0.000 2.204 566 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 566 E C 2.121 178.683 176.600 -0.063 0.000 0.990 566 E CA 1.140 57.518 56.400 -0.037 0.000 0.821 566 E CB -0.198 29.490 29.700 -0.020 0.000 0.750 566 E HN 0.482 nan 8.360 nan 0.000 0.477 567 M N -1.511 118.015 119.600 -0.123 0.000 2.287 567 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 567 M C 1.951 178.240 176.300 -0.018 0.000 1.079 567 M CA 0.691 55.917 55.300 -0.124 0.000 1.146 567 M CB -1.048 31.491 32.600 -0.101 0.000 1.374 567 M HN 0.163 nan 8.290 nan 0.000 0.435 568 W N 2.129 123.411 121.300 -0.030 0.000 2.358 568 W HA -0.112 4.548 4.660 -0.000 0.000 0.303 568 W C 1.944 178.421 176.519 -0.071 0.000 1.208 568 W CA 0.870 58.179 57.345 -0.059 0.000 1.274 568 W CB -1.752 27.672 29.460 -0.060 0.000 1.138 568 W HN 0.351 nan 8.180 nan 0.000 0.515 569 N N -0.512 118.308 118.700 0.201 0.000 2.430 569 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 569 N C 1.813 177.397 175.510 0.123 0.000 1.032 569 N CA 1.603 54.756 53.050 0.172 0.000 0.893 569 N CB -0.831 37.740 38.487 0.141 0.000 0.957 569 N HN 0.199 nan 8.380 nan 0.000 0.442 570 G N -1.530 107.253 108.800 -0.028 0.000 3.126 570 G HA2 0.362 4.322 3.960 -0.000 0.000 0.224 570 G HA3 0.362 4.322 3.960 -0.000 0.000 0.224 570 G C 0.922 175.688 174.900 -0.224 0.000 1.142 570 G CA 0.258 45.251 45.100 -0.178 0.000 0.759 570 G HN 0.386 nan 8.290 nan 0.000 0.550 571 G N -0.951 107.785 108.800 -0.107 0.000 2.157 571 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 571 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 571 G C 0.465 175.315 174.900 -0.083 0.000 0.979 571 G CA 0.022 45.059 45.100 -0.105 0.000 0.650 571 G HN 0.578 nan 8.290 nan 0.000 0.529 572 C N 2.294 121.525 119.300 -0.115 0.000 2.648 572 C HA 0.417 4.877 4.460 -0.000 0.000 0.415 572 C C 1.845 176.948 174.990 0.189 0.000 1.366 572 C CA 0.428 59.421 59.018 -0.042 0.000 1.756 572 C CB 0.969 28.628 27.740 -0.134 0.000 2.549 572 C HN 0.660 nan 8.230 nan 0.000 0.597 573 Q N 2.996 122.918 119.800 0.203 0.000 2.390 573 Q HA 0.147 4.487 4.340 -0.000 0.000 0.216 573 Q C 0.513 176.702 176.000 0.314 0.000 0.916 573 Q CA 1.147 57.105 55.803 0.258 0.000 0.911 573 Q CB 0.023 28.884 28.738 0.205 0.000 1.035 573 Q HN 0.773 nan 8.270 nan 0.000 0.541 574 I N 3.530 124.275 120.570 0.292 0.000 2.261 574 I HA 0.191 4.361 4.170 -0.000 0.000 0.285 574 I C -0.443 175.873 176.117 0.332 0.000 1.113 574 I CA -0.522 60.950 61.300 0.288 0.000 1.377 574 I CB 0.629 38.779 38.000 0.250 0.000 1.530 574 I HN -0.172 nan 8.210 nan 0.000 0.607 575 V N 4.089 124.256 119.914 0.421 0.000 2.313 575 V HA 0.252 4.372 4.120 -0.000 0.000 0.252 575 V C 1.110 177.431 176.094 0.379 0.000 1.112 575 V CA -0.481 62.071 62.300 0.419 0.000 0.984 575 V CB 0.514 32.591 31.823 0.423 0.000 1.157 575 V HN 0.677 nan 8.190 nan 0.000 0.493 576 A N 7.079 130.081 122.820 0.303 0.000 2.409 576 A HA 0.676 4.996 4.320 -0.000 0.000 0.267 576 A C -0.248 177.387 177.584 0.085 0.000 1.127 576 A CA -0.088 52.070 52.037 0.201 0.000 0.795 576 A CB 0.198 19.351 19.000 0.256 0.000 1.061 576 A HN 0.753 nan 8.150 nan 0.000 0.502 577 L N 1.915 123.097 121.223 -0.067 0.000 2.301 577 L HA 0.391 4.731 4.340 -0.000 0.000 0.264 577 L C -0.327 176.550 176.870 0.011 0.000 1.016 577 L CA -1.154 53.566 54.840 -0.200 0.000 0.821 577 L CB 1.711 43.437 42.059 -0.555 0.000 1.346 577 L HN 0.624 nan 8.230 nan 0.000 0.429 578 N N 1.278 119.950 118.700 -0.046 0.000 2.448 578 N HA 0.093 4.833 4.740 -0.000 0.000 0.250 578 N C 0.520 176.025 175.510 -0.007 0.000 1.136 578 N CA -0.014 53.037 53.050 0.001 0.000 0.953 578 N CB 0.494 38.959 38.487 -0.036 0.000 1.251 578 N HN 0.418 nan 8.380 nan 0.000 0.502 579 F N 1.283 121.106 119.950 -0.212 0.000 2.449 579 F HA -0.138 4.388 4.527 -0.000 0.000 0.299 579 F C 1.964 177.672 175.800 -0.154 0.000 1.092 579 F CA 1.011 58.897 58.000 -0.190 0.000 1.446 579 F CB 0.018 38.910 39.000 -0.180 0.000 1.084 579 F HN 0.500 nan 8.300 nan 0.000 0.567 580 Q N -1.764 118.031 119.800 -0.010 0.000 2.424 580 Q HA 0.074 4.414 4.340 -0.000 0.000 0.204 580 Q C 0.350 176.303 176.000 -0.079 0.000 0.933 580 Q CA 0.607 56.379 55.803 -0.052 0.000 0.929 580 Q CB -0.236 28.459 28.738 -0.073 0.000 1.037 580 Q HN 0.056 nan 8.270 nan 0.000 0.511 581 T N 3.411 117.903 114.554 -0.103 0.000 2.753 581 T HA 0.347 4.697 4.350 -0.000 0.000 0.297 581 T C -2.481 172.131 174.700 -0.146 0.000 0.981 581 T CA -1.550 60.481 62.100 -0.114 0.000 0.956 581 T CB 1.114 69.916 68.868 -0.111 0.000 0.936 581 T HN -0.037 nan 8.240 nan 0.000 0.463 582 P HA 0.564 nan 4.420 nan 0.000 0.271 582 P C 0.229 177.417 177.300 -0.185 0.000 1.218 582 P CA 0.179 63.174 63.100 -0.175 0.000 0.780 582 P CB 0.862 32.453 31.700 -0.182 0.000 0.901 583 G N 2.160 110.836 108.800 -0.205 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 -2.794 172.025 174.900 -0.135 0.000 1.344 583 G CA -0.729 44.267 45.100 -0.174 0.000 0.851 583 G HN 0.086 nan 8.290 nan 0.000 0.567 584 P HA 0.069 nan 4.420 nan 0.000 0.221 584 P C 1.358 178.614 177.300 -0.074 0.000 1.150 584 P CA 1.190 64.269 63.100 -0.035 0.000 0.800 584 P CB 0.328 32.041 31.700 0.023 0.000 0.787 585 E N -1.108 119.032 120.200 -0.100 0.000 2.047 585 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 585 E C 2.000 178.524 176.600 -0.127 0.000 0.987 585 E CA 1.222 57.537 56.400 -0.141 0.000 0.799 585 E CB -0.738 28.844 29.700 -0.197 0.000 0.752 585 E HN 0.082 nan 8.360 nan 0.000 0.449 586 M N 0.781 120.286 119.600 -0.158 0.000 2.254 586 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 586 M C 1.105 177.373 176.300 -0.054 0.000 1.066 586 M CA 1.182 56.379 55.300 -0.172 0.000 1.123 586 M CB -0.602 31.834 32.600 -0.274 0.000 1.388 586 M HN 0.046 nan 8.290 nan 0.000 0.425 587 D N 0.056 120.426 120.400 -0.050 0.000 2.104 587 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 587 D C 2.196 178.516 176.300 0.033 0.000 0.994 587 D CA 1.179 55.183 54.000 0.006 0.000 0.830 587 D CB -0.230 40.582 40.800 0.021 0.000 0.959 587 D HN 0.145 nan 8.370 nan 0.000 0.452 588 V N 0.261 120.167 119.914 -0.015 0.000 2.358 588 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 588 V C 2.128 178.320 176.094 0.163 0.000 1.047 588 V CA 1.205 63.499 62.300 -0.010 0.000 1.035 588 V CB -0.598 31.124 31.823 -0.168 0.000 0.658 588 V HN 0.166 nan 8.190 nan 0.000 0.452 589 Y N 0.493 120.841 120.300 0.079 0.000 2.097 589 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 589 Y C 2.250 178.319 175.900 0.281 0.000 1.152 589 Y CA 1.889 60.148 58.100 0.266 0.000 1.136 589 Y CB -0.160 38.339 38.460 0.065 0.000 0.975 589 Y HN 0.118 nan 8.280 nan 0.000 0.498 590 L N -1.126 120.263 121.223 0.276 0.000 2.291 590 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 590 L C 2.536 179.498 176.870 0.152 0.000 1.120 590 L CA 0.820 55.786 54.840 0.210 0.000 0.799 590 L CB -1.047 41.073 42.059 0.101 0.000 0.925 590 L HN 0.366 nan 8.230 nan 0.000 0.446 591 G N -0.553 108.327 108.800 0.133 0.000 2.404 591 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 591 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 591 G C 1.821 176.792 174.900 0.119 0.000 1.174 591 G CA 0.758 45.959 45.100 0.168 0.000 0.780 591 G HN 0.440 nan 8.290 nan 0.000 0.537 592 C N 0.211 119.476 119.300 -0.058 0.000 2.413 592 C HA -0.008 4.452 4.460 -0.000 0.000 0.277 592 C C 2.459 177.170 174.990 -0.465 0.000 1.228 592 C CA 0.873 59.653 59.018 -0.396 0.000 1.731 592 C CB -1.218 26.006 27.740 -0.859 0.000 2.042 592 C HN 0.337 nan 8.230 nan 0.000 0.468 593 F N 0.902 120.801 119.950 -0.085 0.000 2.802 593 F HA 0.107 4.634 4.527 -0.000 0.000 0.300 593 F C 2.208 178.033 175.800 0.041 0.000 1.168 593 F CA 0.982 58.957 58.000 -0.043 0.000 1.433 593 F CB -0.647 38.334 39.000 -0.032 0.000 1.115 593 F HN 0.379 nan 8.300 nan 0.000 0.582 594 Q N 0.407 120.307 119.800 0.167 0.000 2.389 594 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 594 Q C 0.686 176.817 176.000 0.219 0.000 0.944 594 Q CA 0.404 56.266 55.803 0.098 0.000 0.908 594 Q CB -0.130 28.540 28.738 -0.113 0.000 1.002 594 Q HN 0.209 nan 8.270 nan 0.000 0.493 595 D N 0.118 120.708 120.400 0.316 0.000 2.369 595 D HA -0.024 4.616 4.640 -0.000 0.000 0.241 595 D C -0.115 176.325 176.300 0.233 0.000 1.271 595 D CA 0.294 54.502 54.000 0.347 0.000 0.942 595 D CB 0.393 41.277 40.800 0.141 0.000 1.129 595 D HN 0.242 nan 8.370 nan 0.000 0.476 596 N N 0.135 118.997 118.700 0.270 0.000 2.716 596 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 596 N C 0.656 176.277 175.510 0.185 0.000 1.033 596 N CA 1.813 54.916 53.050 0.090 0.000 0.727 596 N CB -1.301 37.097 38.487 -0.149 0.000 0.950 596 N HN 0.724 nan 8.380 nan 0.000 0.541 597 G N -1.345 107.618 108.800 0.271 0.000 2.187 597 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.261 597 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.261 597 G C 1.340 176.345 174.900 0.175 0.000 1.000 597 G CA 1.049 46.276 45.100 0.213 0.000 0.718 597 G HN 1.809 nan 8.290 nan 0.000 0.519 598 G N -1.675 107.233 108.800 0.179 0.000 2.225 598 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.267 598 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.267 598 G C 1.895 176.912 174.900 0.194 0.000 1.024 598 G CA 1.662 46.868 45.100 0.177 0.000 0.784 598 G HN 2.292 nan 8.290 nan 0.000 0.507 599 C N -1.863 117.567 119.300 0.218 0.000 2.500 599 C HA 0.534 4.994 4.460 -0.000 0.000 0.273 599 C C 2.473 177.626 174.990 0.272 0.000 1.428 599 C CA 0.827 60.018 59.018 0.289 0.000 1.766 599 C CB -0.852 27.113 27.740 0.374 0.000 1.817 599 C HN 2.349 nan 8.230 nan 0.000 0.543 600 G N -1.124 107.783 108.800 0.178 0.000 2.195 600 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 600 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 600 G C -0.360 174.385 174.900 -0.258 0.000 0.984 600 G CA 0.399 45.460 45.100 -0.064 0.000 0.633 600 G HN 0.653 nan 8.290 nan 0.000 0.525 601 Y N -0.170 120.159 120.300 0.048 0.000 2.326 601 Y HA 0.603 5.153 4.550 -0.000 0.000 0.331 601 Y C -0.022 175.921 175.900 0.070 0.000 0.962 601 Y CA -0.905 57.190 58.100 -0.009 0.000 1.167 601 Y CB 2.380 40.603 38.460 -0.395 0.000 1.148 601 Y HN 0.084 nan 8.280 nan 0.000 0.463 602 V N 5.421 125.487 119.914 0.254 0.000 2.407 602 V HA 0.236 4.356 4.120 -0.000 0.000 0.291 602 V C -0.446 175.662 176.094 0.023 0.000 1.018 602 V CA -0.952 61.370 62.300 0.036 0.000 0.842 602 V CB 1.614 33.295 31.823 -0.238 0.000 0.996 602 V HN 0.549 nan 8.190 nan 0.000 0.426 603 L N 5.994 127.196 121.223 -0.034 0.000 2.513 603 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 603 L C 0.587 177.263 176.870 -0.323 0.000 1.187 603 L CA 0.665 55.333 54.840 -0.287 0.000 0.895 603 L CB 0.079 41.960 42.059 -0.298 0.000 1.147 603 L HN 0.566 nan 8.230 nan 0.000 0.483 604 K N 6.068 126.241 120.400 -0.379 0.000 2.276 604 K HA 0.246 4.566 4.320 -0.000 0.000 0.259 604 K C -2.217 174.135 176.600 -0.415 0.000 1.001 604 K CA -1.250 54.806 56.287 -0.384 0.000 0.927 604 K CB 0.142 32.415 32.500 -0.379 0.000 0.969 604 K HN 0.473 nan 8.250 nan 0.000 0.490 605 P HA -0.063 nan 4.420 nan 0.000 0.269 605 P C -0.212 176.743 177.300 -0.575 0.000 1.209 605 P CA 0.134 62.904 63.100 -0.549 0.000 0.776 605 P CB 0.816 31.972 31.700 -0.907 0.000 0.876 606 A N 3.575 126.195 122.820 -0.333 0.000 1.927 606 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 606 A C 1.754 179.235 177.584 -0.172 0.000 1.185 606 A CA 2.236 54.153 52.037 -0.199 0.000 0.639 606 A CB -1.895 17.072 19.000 -0.055 0.000 0.820 606 A HN 0.719 nan 8.150 nan 0.000 0.451 607 F N -1.196 118.707 119.950 -0.079 0.000 2.494 607 F HA 0.127 4.654 4.527 -0.000 0.000 0.298 607 F C 1.164 176.889 175.800 -0.124 0.000 1.106 607 F CA 0.671 58.652 58.000 -0.032 0.000 1.452 607 F CB -0.470 38.601 39.000 0.118 0.000 1.085 607 F HN 0.071 nan 8.300 nan 0.000 0.569 608 L N 0.455 121.316 121.223 -0.604 0.000 2.685 608 L HA 0.301 4.641 4.340 -0.000 0.000 0.233 608 L C 1.031 177.692 176.870 -0.348 0.000 1.173 608 L CA 0.108 54.699 54.840 -0.416 0.000 0.961 608 L CB -0.161 41.569 42.059 -0.549 0.000 1.217 608 L HN 0.137 nan 8.230 nan 0.000 0.478 609 R N -0.757 119.545 120.500 -0.330 0.000 2.600 609 R HA 0.124 4.464 4.340 -0.000 0.000 0.392 609 R C -0.499 175.656 176.300 -0.241 0.000 1.032 609 R CA -0.172 55.664 56.100 -0.439 0.000 1.139 609 R CB 0.667 30.661 30.300 -0.510 0.000 1.400 609 R HN -0.005 nan 8.270 nan 0.000 0.566 610 D N 1.290 121.629 120.400 -0.101 0.000 2.441 610 D HA 0.171 4.811 4.640 -0.000 0.000 0.231 610 D C -1.520 174.790 176.300 0.018 0.000 1.073 610 D CA -2.521 51.475 54.000 -0.006 0.000 0.850 610 D CB 1.747 42.587 40.800 0.068 0.000 1.062 610 D HN -0.154 nan 8.370 nan 0.000 0.524 611 P HA -0.127 nan 4.420 nan 0.000 0.218 611 P C -0.041 177.293 177.300 0.057 0.000 1.146 611 P CA 0.816 63.939 63.100 0.038 0.000 0.813 611 P CB 0.282 32.012 31.700 0.049 0.000 0.778 612 N N -0.133 118.607 118.700 0.067 0.000 2.451 612 N HA 0.079 4.819 4.740 -0.000 0.000 0.264 612 N C -0.077 175.498 175.510 0.109 0.000 1.167 612 N CA 0.251 53.348 53.050 0.079 0.000 0.898 612 N CB 0.004 38.534 38.487 0.071 0.000 1.176 612 N HN 0.111 nan 8.380 nan 0.000 0.507 613 T N 0.221 114.849 114.554 0.123 0.000 2.909 613 T HA 0.221 4.571 4.350 -0.000 0.000 0.286 613 T C 1.457 176.251 174.700 0.156 0.000 1.002 613 T CA -0.329 61.885 62.100 0.190 0.000 1.074 613 T CB 1.486 70.488 68.868 0.223 0.000 0.984 613 T HN 0.241 nan 8.240 nan 0.000 0.495 614 T N -0.709 113.971 114.554 0.211 0.000 3.176 614 T HA 0.280 4.630 4.350 -0.000 0.000 0.263 614 T C 0.132 174.825 174.700 -0.012 0.000 1.021 614 T CA -0.603 61.575 62.100 0.129 0.000 0.905 614 T CB -0.542 68.441 68.868 0.191 0.000 1.057 614 T HN 0.427 nan 8.240 nan 0.000 0.558 615 F N 3.055 122.789 119.950 -0.360 0.000 2.459 615 F HA 0.555 5.082 4.527 -0.000 0.000 0.346 615 F C 0.076 175.610 175.800 -0.442 0.000 1.128 615 F CA -0.731 56.747 58.000 -0.871 0.000 1.268 615 F CB 0.596 38.981 39.000 -1.026 0.000 1.161 615 F HN 0.171 nan 8.300 nan 0.000 0.583 616 N N 2.759 120.539 118.700 -1.532 0.000 2.812 616 N HA 0.004 4.744 4.740 -0.000 0.000 0.262 616 N C 0.111 174.880 175.510 -1.235 0.000 1.241 616 N CA 0.352 52.760 53.050 -1.070 0.000 0.854 616 N CB 1.225 39.415 38.487 -0.494 0.000 1.506 616 N HN 0.652 nan 8.380 nan 0.000 0.576 617 S N 2.668 117.580 115.700 -1.315 0.000 2.488 617 S HA -0.094 4.376 4.470 -0.000 0.000 0.246 617 S C 1.290 175.713 174.600 -0.296 0.000 0.992 617 S CA 0.718 58.553 58.200 -0.608 0.000 0.963 617 S CB -0.002 63.131 63.200 -0.112 0.000 0.754 617 S HN 0.541 nan 8.310 nan 0.000 0.519 618 R N 0.867 121.186 120.500 -0.303 0.000 2.223 618 R HA 0.352 4.692 4.340 -0.000 0.000 0.198 618 R C 0.512 176.723 176.300 -0.147 0.000 0.984 618 R CA 0.872 56.871 56.100 -0.167 0.000 1.018 618 R CB -0.010 30.212 30.300 -0.131 0.000 0.945 618 R HN 0.464 nan 8.270 nan 0.000 0.479 619 A N 1.656 124.351 122.820 -0.207 0.000 2.893 619 A HA 0.397 4.717 4.320 -0.000 0.000 0.333 619 A C -0.416 177.068 177.584 -0.167 0.000 1.152 619 A CA -0.542 51.406 52.037 -0.148 0.000 0.782 619 A CB 0.235 19.156 19.000 -0.132 0.000 1.108 619 A HN 0.064 nan 8.150 nan 0.000 0.469 620 L N 2.356 123.516 121.223 -0.105 0.000 2.367 620 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 620 L C 1.091 177.963 176.870 0.004 0.000 1.129 620 L CA 0.147 54.976 54.840 -0.017 0.000 0.839 620 L CB 1.174 43.314 42.059 0.135 0.000 1.133 620 L HN 0.789 nan 8.230 nan 0.000 0.453 621 T N -0.355 114.287 114.554 0.147 0.000 2.773 621 T HA 0.395 4.745 4.350 -0.000 0.000 0.278 621 T C -0.434 174.317 174.700 0.085 0.000 1.011 621 T CA -0.926 61.210 62.100 0.061 0.000 1.014 621 T CB 1.568 70.505 68.868 0.115 0.000 1.293 621 T HN 0.407 nan 8.240 nan 0.000 0.554 622 Q N -0.325 119.389 119.800 -0.143 0.000 2.373 622 Q HA 0.569 4.909 4.340 -0.000 0.000 0.255 622 Q C 0.021 175.756 176.000 -0.443 0.000 0.980 622 Q CA 0.962 56.573 55.803 -0.320 0.000 0.882 622 Q CB 0.184 28.742 28.738 -0.300 0.000 1.249 622 Q HN 1.259 nan 8.270 nan 0.000 0.438 623 G N 2.584 110.843 108.800 -0.902 0.000 2.338 623 G HA2 0.230 4.190 3.960 -0.000 0.000 0.295 623 G HA3 0.230 4.190 3.960 -0.000 0.000 0.295 623 G C -2.575 171.507 174.900 -1.362 0.000 1.461 623 G CA -0.631 43.488 45.100 -1.636 0.000 0.817 623 G HN 0.450 nan 8.290 nan 0.000 0.556 624 P HA -0.078 nan 4.420 nan 0.000 0.220 624 P C 1.438 178.506 177.300 -0.387 0.000 1.144 624 P CA 1.884 64.719 63.100 -0.443 0.000 0.800 624 P CB -0.078 31.519 31.700 -0.172 0.000 0.772 625 W N -2.141 118.895 121.300 -0.440 0.000 2.467 625 W HA 0.066 4.726 4.660 -0.000 0.000 0.275 625 W C 0.867 177.244 176.519 -0.236 0.000 1.239 625 W CA -0.611 56.310 57.345 -0.706 0.000 1.266 625 W CB -1.509 26.992 29.460 -1.598 0.000 1.112 625 W HN -0.116 nan 8.180 nan 0.000 0.576 626 W N 4.531 125.543 121.300 -0.480 0.000 2.481 626 W HA 0.375 5.035 4.660 -0.000 0.000 0.320 626 W C -0.531 175.879 176.519 -0.182 0.000 1.209 626 W CA -0.485 56.743 57.345 -0.195 0.000 1.400 626 W CB 0.259 29.561 29.460 -0.264 0.000 1.361 626 W HN -0.061 nan 8.180 nan 0.000 0.456 627 R N 6.047 126.172 120.500 -0.625 0.000 2.924 627 R HA 0.172 4.512 4.340 -0.000 0.000 0.233 627 R C -2.685 173.305 176.300 -0.518 0.000 1.685 627 R CA -1.589 54.240 56.100 -0.452 0.000 1.462 627 R CB 0.946 31.107 30.300 -0.232 0.000 1.542 627 R HN 0.156 nan 8.270 nan 0.000 0.667 628 P HA -0.056 nan 4.420 nan 0.000 0.264 628 P C -0.442 176.703 177.300 -0.259 0.000 1.183 628 P CA 0.572 63.362 63.100 -0.516 0.000 0.763 628 P CB 0.724 32.148 31.700 -0.460 0.000 0.807 629 E N 2.082 122.163 120.200 -0.198 0.000 2.343 629 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 629 E C -0.638 175.991 176.600 0.047 0.000 0.895 629 E CA -0.958 55.428 56.400 -0.023 0.000 0.767 629 E CB 2.589 32.359 29.700 0.118 0.000 1.248 629 E HN 0.345 nan 8.360 nan 0.000 0.440 630 R N 2.059 122.615 120.500 0.094 0.000 2.265 630 R HA 0.408 4.748 4.340 -0.000 0.000 0.328 630 R C -1.162 175.230 176.300 0.154 0.000 0.969 630 R CA -0.641 55.519 56.100 0.101 0.000 0.832 630 R CB 0.562 30.890 30.300 0.048 0.000 1.139 630 R HN 0.408 nan 8.270 nan 0.000 0.457 631 L N 4.401 125.758 121.223 0.223 0.000 2.322 631 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 631 L C -0.990 175.987 176.870 0.179 0.000 1.014 631 L CA -0.303 54.668 54.840 0.219 0.000 0.815 631 L CB 1.388 43.651 42.059 0.339 0.000 1.247 631 L HN 0.579 nan 8.230 nan 0.000 0.421 632 R N 5.011 125.563 120.500 0.086 0.000 2.451 632 R HA 0.606 4.946 4.340 -0.000 0.000 0.307 632 R C -1.613 174.705 176.300 0.030 0.000 0.965 632 R CA -0.780 55.347 56.100 0.045 0.000 0.865 632 R CB 1.935 32.223 30.300 -0.019 0.000 1.174 632 R HN 0.475 nan 8.270 nan 0.000 0.455 633 V N 3.588 123.555 119.914 0.090 0.000 2.448 633 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 633 V C 0.180 176.258 176.094 -0.027 0.000 1.025 633 V CA -0.843 61.505 62.300 0.081 0.000 0.859 633 V CB 2.084 34.053 31.823 0.243 0.000 0.988 633 V HN 0.569 nan 8.190 nan 0.000 0.431 634 R N 4.736 125.181 120.500 -0.090 0.000 2.265 634 R HA 0.492 4.832 4.340 -0.000 0.000 0.328 634 R C -1.047 175.182 176.300 -0.119 0.000 0.969 634 R CA -0.765 55.244 56.100 -0.152 0.000 0.832 634 R CB 0.963 31.180 30.300 -0.138 0.000 1.139 634 R HN 0.538 nan 8.270 nan 0.000 0.457 635 I N 7.423 127.911 120.570 -0.138 0.000 2.294 635 I HA 0.036 4.206 4.170 -0.000 0.000 0.295 635 I C 1.294 177.440 176.117 0.049 0.000 1.098 635 I CA 0.120 61.394 61.300 -0.044 0.000 1.277 635 I CB 0.395 38.335 38.000 -0.101 0.000 1.434 635 I HN 0.752 nan 8.210 nan 0.000 0.498 636 I N 3.921 124.530 120.570 0.065 0.000 2.272 636 I HA -0.075 4.095 4.170 -0.000 0.000 0.235 636 I C 1.075 177.367 176.117 0.292 0.000 1.071 636 I CA 0.855 62.250 61.300 0.157 0.000 1.374 636 I CB 0.076 38.160 38.000 0.141 0.000 1.121 636 I HN 0.679 nan 8.210 nan 0.000 0.420 637 S N -0.771 115.131 115.700 0.337 0.000 2.671 637 S HA 0.762 5.232 4.470 -0.000 0.000 0.277 637 S C -0.513 174.294 174.600 0.344 0.000 1.165 637 S CA -0.546 57.833 58.200 0.298 0.000 0.822 637 S CB 1.734 65.020 63.200 0.143 0.000 1.150 637 S HN 0.262 nan 8.310 nan 0.000 0.479 638 G N -0.302 108.641 108.800 0.239 0.000 2.519 638 G HA2 0.637 4.597 3.960 -0.000 0.000 0.307 638 G HA3 0.637 4.597 3.960 -0.000 0.000 0.307 638 G C -1.924 172.962 174.900 -0.024 0.000 1.266 638 G CA -0.767 44.458 45.100 0.208 0.000 0.970 638 G HN 0.567 nan 8.290 nan 0.000 0.481 639 Q N 0.273 120.031 119.800 -0.069 0.000 2.304 639 Q HA 0.437 4.777 4.340 -0.000 0.000 0.270 639 Q C -0.357 175.542 176.000 -0.170 0.000 1.035 639 Q CA -0.584 55.086 55.803 -0.222 0.000 0.781 639 Q CB 2.139 30.735 28.738 -0.238 0.000 1.261 639 Q HN 0.680 nan 8.270 nan 0.000 0.444 640 Q N 1.538 121.224 119.800 -0.190 0.000 2.439 640 Q HA -0.221 4.119 4.340 -0.000 0.000 0.325 640 Q C -0.796 175.178 176.000 -0.044 0.000 1.372 640 Q CA 0.250 56.031 55.803 -0.037 0.000 0.909 640 Q CB -1.463 27.269 28.738 -0.010 0.000 1.167 640 Q HN 0.583 nan 8.270 nan 0.000 0.418 641 L N 1.993 123.196 121.223 -0.034 0.000 2.462 641 L HA 0.199 4.538 4.340 -0.000 0.000 0.272 641 L C -1.089 175.737 176.870 -0.073 0.000 1.166 641 L CA -1.455 53.352 54.840 -0.055 0.000 0.880 641 L CB -0.362 41.703 42.059 0.011 0.000 1.142 641 L HN 0.095 nan 8.230 nan 0.000 0.473 642 P HA 0.093 nan 4.420 nan 0.000 0.272 642 P C -1.367 175.904 177.300 -0.048 0.000 1.240 642 P CA -0.505 62.507 63.100 -0.146 0.000 0.791 642 P CB 0.541 32.036 31.700 -0.342 0.000 0.978 643 K N 0.635 121.033 120.400 -0.003 0.000 2.268 643 K HA 0.397 4.717 4.320 -0.000 0.000 0.276 643 K C -0.408 176.221 176.600 0.048 0.000 1.080 643 K CA -0.771 55.532 56.287 0.027 0.000 0.910 643 K CB 0.805 33.324 32.500 0.031 0.000 1.163 643 K HN 0.047 nan 8.250 nan 0.000 0.465 644 V N 3.427 123.378 119.914 0.061 0.000 2.370 644 V HA 0.198 4.318 4.120 -0.000 0.000 0.279 644 V C -0.375 175.763 176.094 0.074 0.000 1.280 644 V CA -0.458 61.895 62.300 0.088 0.000 1.392 644 V CB -1.191 30.711 31.823 0.132 0.000 1.464 644 V HN 0.844 nan 8.190 nan 0.000 0.525 645 N N 0.915 119.649 118.700 0.058 0.000 0.000 645 N HA 0.199 4.939 4.740 -0.000 0.000 0.000 645 N C -0.977 174.556 175.510 0.038 0.000 0.000 645 N CA -0.835 52.243 53.050 0.047 0.000 0.000 645 N CB 1.194 39.707 38.487 0.043 0.000 0.000 645 N HN 0.185 nan 8.380 nan 0.000 0.000 646 K N 0.908 121.327 120.400 0.032 0.000 2.534 646 K HA -0.184 4.136 4.320 -0.000 0.000 0.260 646 K C 0.845 177.461 176.600 0.026 0.000 1.026 646 K CA 0.582 56.885 56.287 0.026 0.000 1.101 646 K CB 0.041 32.555 32.500 0.022 0.000 0.759 646 K HN 0.493 nan 8.250 nan 0.000 0.454 647 N N 1.816 120.530 118.700 0.023 0.000 2.122 647 N HA -0.229 4.511 4.740 -0.000 0.000 0.199 647 N C 0.207 175.730 175.510 0.021 0.000 1.007 647 N CA 1.692 54.755 53.050 0.022 0.000 0.892 647 N CB -0.102 38.396 38.487 0.018 0.000 1.050 647 N HN 0.467 nan 8.380 nan 0.000 0.468 648 K N 2.251 122.663 120.400 0.019 0.000 2.183 648 K HA 0.089 4.409 4.320 -0.000 0.000 0.274 648 K C -0.418 176.194 176.600 0.020 0.000 1.009 648 K CA -0.619 55.679 56.287 0.018 0.000 0.888 648 K CB 0.670 33.179 32.500 0.015 0.000 1.078 648 K HN 0.195 nan 8.250 nan 0.000 0.459 649 N N 1.909 120.621 118.700 0.020 0.000 2.360 649 N HA -0.081 4.659 4.740 -0.000 0.000 0.292 649 N C -0.235 175.289 175.510 0.022 0.000 1.330 649 N CA 0.525 53.589 53.050 0.022 0.000 1.009 649 N CB 0.364 38.864 38.487 0.020 0.000 1.419 649 N HN 0.223 nan 8.380 nan 0.000 0.487 650 S N 2.353 118.069 115.700 0.026 0.000 2.803 650 S HA 0.086 4.556 4.470 -0.000 0.000 0.226 650 S C 0.364 174.982 174.600 0.031 0.000 0.962 650 S CA -0.547 57.669 58.200 0.026 0.000 0.968 650 S CB -1.010 62.206 63.200 0.027 0.000 0.786 650 S HN 0.675 nan 8.310 nan 0.000 0.527 651 I N 1.054 121.642 120.570 0.031 0.000 7.576 651 I HA -0.198 3.972 4.170 -0.000 0.000 0.126 651 I C 0.287 176.431 176.117 0.045 0.000 1.681 651 I CA -0.544 60.777 61.300 0.034 0.000 2.287 651 I CB -2.016 35.999 38.000 0.026 0.000 3.377 651 I HN -0.055 nan 8.210 nan 0.000 0.239 652 V N 2.914 122.859 119.914 0.052 0.000 2.992 652 V HA -0.106 4.014 4.120 -0.000 0.000 0.294 652 V C 0.834 176.978 176.094 0.084 0.000 1.254 652 V CA 0.438 62.779 62.300 0.068 0.000 1.359 652 V CB 0.228 32.091 31.823 0.067 0.000 0.914 652 V HN 0.607 nan 8.190 nan 0.000 0.519 653 D N 3.690 124.161 120.400 0.120 0.000 2.456 653 D HA 0.330 4.970 4.640 -0.000 0.000 0.287 653 D C -2.507 173.919 176.300 0.210 0.000 1.186 653 D CA -1.105 52.984 54.000 0.149 0.000 0.916 653 D CB 1.149 42.062 40.800 0.190 0.000 1.029 653 D HN 0.498 nan 8.370 nan 0.000 0.498 654 P HA 0.131 nan 4.420 nan 0.000 0.275 654 P C -0.239 177.380 177.300 0.532 0.000 1.228 654 P CA -0.290 63.020 63.100 0.351 0.000 0.786 654 P CB 1.388 33.338 31.700 0.417 0.000 0.927 655 K N 0.447 121.055 120.400 0.347 0.000 2.512 655 K HA 0.642 4.962 4.320 -0.000 0.000 0.263 655 K C -1.777 174.751 176.600 -0.119 0.000 0.966 655 K CA -1.067 55.325 56.287 0.176 0.000 0.851 655 K CB 1.696 34.283 32.500 0.144 0.000 1.395 655 K HN 0.130 nan 8.250 nan 0.000 0.440 656 V N 2.773 122.458 119.914 -0.382 0.000 2.604 656 V HA 0.479 4.599 4.120 -0.000 0.000 0.305 656 V C -0.397 175.620 176.094 -0.128 0.000 1.043 656 V CA -0.922 61.193 62.300 -0.308 0.000 0.888 656 V CB 1.593 33.101 31.823 -0.525 0.000 0.995 656 V HN 0.658 nan 8.190 nan 0.000 0.429 657 I N 4.168 124.699 120.570 -0.065 0.000 2.493 657 I HA 0.613 4.783 4.170 -0.000 0.000 0.298 657 I C -0.624 175.437 176.117 -0.093 0.000 0.998 657 I CA -0.786 60.469 61.300 -0.074 0.000 1.137 657 I CB 2.016 39.992 38.000 -0.040 0.000 1.310 657 I HN 0.250 nan 8.210 nan 0.000 0.445 658 V N 5.203 125.013 119.914 -0.174 0.000 2.577 658 V HA 0.393 4.513 4.120 -0.000 0.000 0.303 658 V C -0.400 175.509 176.094 -0.309 0.000 1.042 658 V CA -0.619 61.518 62.300 -0.272 0.000 0.872 658 V CB 2.220 33.949 31.823 -0.157 0.000 0.998 658 V HN 0.758 nan 8.190 nan 0.000 0.423 659 E N 4.764 124.752 120.200 -0.352 0.000 2.256 659 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 659 E C -1.421 174.922 176.600 -0.428 0.000 0.892 659 E CA -0.943 55.238 56.400 -0.364 0.000 0.775 659 E CB 2.744 32.306 29.700 -0.231 0.000 1.207 659 E HN 0.338 nan 8.360 nan 0.000 0.420 660 I N 2.404 122.675 120.570 -0.499 0.000 2.378 660 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 660 I C -0.239 175.698 176.117 -0.302 0.000 0.992 660 I CA -0.493 60.596 61.300 -0.352 0.000 1.154 660 I CB 0.765 38.538 38.000 -0.379 0.000 1.315 660 I HN 0.478 nan 8.210 nan 0.000 0.448 661 H N 3.817 122.839 119.070 -0.079 0.000 2.524 661 H HA 0.771 5.327 4.556 -0.000 0.000 0.353 661 H C 0.292 175.620 175.328 -0.000 0.000 1.136 661 H CA -0.426 55.606 56.048 -0.027 0.000 1.193 661 H CB 2.680 32.446 29.762 0.006 0.000 1.558 661 H HN 0.854 nan 8.280 nan 0.000 0.515 662 G N 0.722 109.583 108.800 0.102 0.000 2.399 662 G HA2 0.153 4.113 3.960 -0.000 0.000 0.256 662 G HA3 0.153 4.113 3.960 -0.000 0.000 0.256 662 G C -0.573 174.366 174.900 0.065 0.000 1.236 662 G CA -0.213 44.934 45.100 0.080 0.000 0.914 662 G HN 0.570 nan 8.290 nan 0.000 0.482 663 V N 0.722 120.675 119.914 0.065 0.000 2.901 663 V HA 0.501 4.621 4.120 -0.000 0.000 0.307 663 V C 1.855 177.968 176.094 0.032 0.000 1.084 663 V CA 1.353 63.694 62.300 0.068 0.000 1.184 663 V CB 0.587 32.472 31.823 0.102 0.000 0.941 663 V HN 2.049 nan 8.190 nan 0.000 0.493 664 G N 2.684 111.496 108.800 0.021 0.000 2.505 664 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 664 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 664 G C 1.503 176.408 174.900 0.008 0.000 1.145 664 G CA 1.139 46.243 45.100 0.007 0.000 0.761 664 G HN 1.005 nan 8.290 nan 0.000 0.571 665 R N 0.279 120.794 120.500 0.026 0.000 2.117 665 R HA -0.121 4.218 4.340 -0.000 0.000 0.243 665 R C 1.670 177.982 176.300 0.020 0.000 1.143 665 R CA 1.931 58.054 56.100 0.039 0.000 0.968 665 R CB -0.218 30.133 30.300 0.085 0.000 0.863 665 R HN 0.251 nan 8.270 nan 0.000 0.444 666 D N 0.160 120.561 120.400 0.000 0.000 2.305 666 D HA -0.047 4.593 4.640 -0.000 0.000 0.206 666 D C 0.287 176.561 176.300 -0.043 0.000 0.974 666 D CA 0.940 54.923 54.000 -0.029 0.000 0.871 666 D CB -0.157 40.602 40.800 -0.068 0.000 0.947 666 D HN 0.359 nan 8.370 nan 0.000 0.516 667 T N -0.580 113.943 114.554 -0.051 0.000 2.866 667 T HA 0.419 4.769 4.350 -0.000 0.000 0.293 667 T C 0.516 175.163 174.700 -0.088 0.000 1.005 667 T CA -0.214 61.824 62.100 -0.105 0.000 1.162 667 T CB 1.288 70.096 68.868 -0.102 0.000 0.968 667 T HN 0.080 nan 8.240 nan 0.000 0.530 668 G N 0.657 109.375 108.800 -0.136 0.000 2.660 668 G HA2 0.607 4.567 3.960 -0.000 0.000 0.290 668 G HA3 0.607 4.567 3.960 -0.000 0.000 0.290 668 G C -1.297 173.535 174.900 -0.114 0.000 1.432 668 G CA -0.561 44.514 45.100 -0.042 0.000 0.807 668 G HN 1.103 nan 8.290 nan 0.000 0.485 669 S N -0.518 115.169 115.700 -0.021 0.000 2.537 669 S HA 0.834 5.304 4.470 -0.000 0.000 0.270 669 S C -1.292 173.260 174.600 -0.081 0.000 1.142 669 S CA -0.826 57.323 58.200 -0.086 0.000 0.870 669 S CB 1.687 64.819 63.200 -0.113 0.000 1.112 669 S HN 0.738 nan 8.310 nan 0.000 0.466 670 R N 1.954 122.321 120.500 -0.223 0.000 2.668 670 R HA 0.447 4.787 4.340 -0.000 0.000 0.272 670 R C -1.366 174.594 176.300 -0.566 0.000 1.019 670 R CA -0.677 55.114 56.100 -0.515 0.000 0.894 670 R CB 1.974 31.641 30.300 -1.056 0.000 1.228 670 R HN 0.914 nan 8.270 nan 0.000 0.460 671 Q N -0.375 119.187 119.800 -0.398 0.000 2.423 671 Q HA 0.563 4.903 4.340 -0.000 0.000 0.278 671 Q C -0.432 175.620 176.000 0.087 0.000 1.097 671 Q CA -0.899 54.814 55.803 -0.150 0.000 0.809 671 Q CB 2.202 30.900 28.738 -0.066 0.000 1.391 671 Q HN 0.632 nan 8.270 nan 0.000 0.428 672 T N -1.237 113.398 114.554 0.135 0.000 2.849 672 T HA 0.753 5.103 4.350 -0.000 0.000 0.276 672 T C 0.449 175.212 174.700 0.106 0.000 0.971 672 T CA -0.165 62.022 62.100 0.145 0.000 0.949 672 T CB 0.938 69.677 68.868 -0.215 0.000 1.093 672 T HN 0.801 nan 8.240 nan 0.000 0.545 673 A N 0.237 123.175 122.820 0.197 0.000 2.280 673 A HA 0.621 4.941 4.320 -0.000 0.000 0.268 673 A C 0.074 177.838 177.584 0.301 0.000 1.111 673 A CA -0.769 51.379 52.037 0.185 0.000 0.814 673 A CB 0.037 19.146 19.000 0.181 0.000 1.093 673 A HN 0.808 nan 8.150 nan 0.000 0.498 674 V N 1.202 121.213 119.914 0.161 0.000 2.481 674 V HA 0.287 4.407 4.120 -0.000 0.000 0.286 674 V C -0.349 175.830 176.094 0.141 0.000 1.042 674 V CA -0.440 61.971 62.300 0.185 0.000 0.928 674 V CB 1.282 33.085 31.823 -0.035 0.000 0.986 674 V HN 0.568 nan 8.190 nan 0.000 0.462 675 I N 3.819 124.464 120.570 0.126 0.000 2.339 675 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 675 I C 0.614 176.726 176.117 -0.009 0.000 0.994 675 I CA -0.093 61.161 61.300 -0.076 0.000 1.191 675 I CB 1.566 39.349 38.000 -0.362 0.000 1.343 675 I HN 0.761 nan 8.210 nan 0.000 0.458 676 T N 2.978 117.527 114.554 -0.008 0.000 2.869 676 T HA 0.251 4.600 4.350 -0.000 0.000 0.295 676 T C 0.579 175.285 174.700 0.009 0.000 0.987 676 T CA -0.174 61.942 62.100 0.027 0.000 1.109 676 T CB 0.161 69.052 68.868 0.037 0.000 0.932 676 T HN 0.624 nan 8.240 nan 0.000 0.518 677 N N 1.607 120.326 118.700 0.032 0.000 2.738 677 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 677 N C -1.249 174.265 175.510 0.006 0.000 1.047 677 N CA 0.800 53.863 53.050 0.022 0.000 0.707 677 N CB -1.161 37.334 38.487 0.015 0.000 0.937 677 N HN 0.870 nan 8.380 nan 0.000 0.545 678 N N -1.053 117.649 118.700 0.003 0.000 2.697 678 N HA 0.449 5.189 4.740 -0.000 0.000 0.271 678 N C 0.380 175.890 175.510 -0.001 0.000 1.149 678 N CA 0.212 53.257 53.050 -0.007 0.000 0.939 678 N CB 0.853 39.302 38.487 -0.064 0.000 1.534 678 N HN 0.150 nan 8.380 nan 0.000 0.556 679 G N 1.164 109.993 108.800 0.048 0.000 2.833 679 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.214 679 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.214 679 G C 0.769 175.706 174.900 0.063 0.000 1.075 679 G CA -0.084 45.047 45.100 0.052 0.000 0.799 679 G HN 0.467 nan 8.290 nan 0.000 0.541 680 F N 2.970 122.883 119.950 -0.062 0.000 2.206 680 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 680 F C 0.923 176.669 175.800 -0.090 0.000 1.090 680 F CA 1.371 59.326 58.000 -0.075 0.000 1.323 680 F CB 0.460 39.408 39.000 -0.086 0.000 1.028 680 F HN 0.298 nan 8.300 nan 0.000 0.492 681 N N -1.465 117.109 118.700 -0.210 0.000 2.657 681 N HA 0.144 4.884 4.740 -0.000 0.000 0.234 681 N C -3.296 172.068 175.510 -0.244 0.000 1.433 681 N CA -1.362 51.490 53.050 -0.330 0.000 1.078 681 N CB -0.939 37.270 38.487 -0.463 0.000 1.508 681 N HN 0.007 nan 8.380 nan 0.000 0.547 682 P HA 0.124 nan 4.420 nan 0.000 0.269 682 P C -0.496 176.459 177.300 -0.575 0.000 1.217 682 P CA 0.057 62.822 63.100 -0.558 0.000 0.783 682 P CB 0.880 32.039 31.700 -0.902 0.000 0.898 683 R N 1.522 121.648 120.500 -0.623 0.000 2.502 683 R HA 0.318 4.658 4.340 -0.000 0.000 0.298 683 R C 0.038 176.139 176.300 -0.332 0.000 1.018 683 R CA -0.438 55.472 56.100 -0.317 0.000 0.899 683 R CB 0.642 30.841 30.300 -0.168 0.000 1.181 683 R HN 0.492 nan 8.270 nan 0.000 0.444 684 W N 1.676 122.975 121.300 -0.001 0.000 2.798 684 W HA 0.180 4.840 4.660 -0.000 0.000 0.260 684 W C -0.151 176.349 176.519 -0.033 0.000 1.165 684 W CA 0.075 57.412 57.345 -0.012 0.000 1.501 684 W CB 0.413 29.869 29.460 -0.007 0.000 1.023 684 W HN 0.600 nan 8.180 nan 0.000 0.615 685 D N 1.004 121.540 120.400 0.225 0.000 2.697 685 D HA -0.202 4.438 4.640 -0.000 0.000 0.238 685 D C -0.420 175.887 176.300 0.012 0.000 1.152 685 D CA 1.089 55.143 54.000 0.090 0.000 0.666 685 D CB -1.104 39.733 40.800 0.062 0.000 1.037 685 D HN 0.032 nan 8.370 nan 0.000 0.423 686 M N 0.832 120.397 119.600 -0.060 0.000 2.456 686 M HA 0.429 4.909 4.480 -0.000 0.000 0.324 686 M C -0.645 175.349 176.300 -0.508 0.000 1.124 686 M CA -0.358 54.792 55.300 -0.251 0.000 0.959 686 M CB 1.941 34.385 32.600 -0.259 0.000 1.692 686 M HN 0.043 nan 8.290 nan 0.000 0.444 687 E N 2.676 122.559 120.200 -0.528 0.000 2.256 687 E HA 0.628 4.978 4.350 -0.000 0.000 0.267 687 E C -1.860 174.395 176.600 -0.575 0.000 0.892 687 E CA -0.569 55.524 56.400 -0.511 0.000 0.775 687 E CB 1.259 30.822 29.700 -0.228 0.000 1.207 687 E HN 0.610 nan 8.360 nan 0.000 0.420 688 F N 0.973 120.865 119.950 -0.096 0.000 2.603 688 F HA 0.437 4.964 4.527 -0.000 0.000 0.317 688 F C -0.130 175.485 175.800 -0.308 0.000 1.066 688 F CA -0.908 56.942 58.000 -0.250 0.000 0.941 688 F CB 1.963 40.808 39.000 -0.258 0.000 1.291 688 F HN 0.423 nan 8.300 nan 0.000 0.472 689 E N 1.165 121.170 120.200 -0.325 0.000 2.293 689 E HA 0.690 5.040 4.350 -0.000 0.000 0.270 689 E C -2.122 174.171 176.600 -0.512 0.000 0.879 689 E CA -0.467 55.783 56.400 -0.250 0.000 0.756 689 E CB 1.698 31.326 29.700 -0.119 0.000 1.208 689 E HN 0.421 nan 8.360 nan 0.000 0.428 690 F N 1.271 121.254 119.950 0.054 0.000 2.578 690 F HA 0.330 4.857 4.527 -0.000 0.000 0.311 690 F C -0.167 175.651 175.800 0.031 0.000 1.094 690 F CA -0.863 57.156 58.000 0.033 0.000 0.923 690 F CB 2.122 41.146 39.000 0.041 0.000 1.230 690 F HN 0.375 nan 8.300 nan 0.000 0.450 691 E N 2.033 122.333 120.200 0.166 0.000 2.175 691 E HA 0.647 4.997 4.350 -0.000 0.000 0.278 691 E C -1.756 174.846 176.600 0.004 0.000 0.969 691 E CA -0.511 55.925 56.400 0.060 0.000 0.796 691 E CB 1.774 31.485 29.700 0.018 0.000 1.104 691 E HN 0.481 nan 8.360 nan 0.000 0.395 692 V N 4.360 124.208 119.914 -0.111 0.000 2.443 692 V HA 0.106 4.226 4.120 -0.000 0.000 0.293 692 V C 1.044 176.898 176.094 -0.400 0.000 1.021 692 V CA -0.316 61.824 62.300 -0.266 0.000 0.848 692 V CB 1.452 32.992 31.823 -0.472 0.000 0.998 692 V HN 0.954 nan 8.190 nan 0.000 0.424 693 T N 1.483 115.794 114.554 -0.404 0.000 3.009 693 T HA 0.044 4.394 4.350 -0.000 0.000 0.258 693 T C 0.598 174.958 174.700 -0.567 0.000 1.063 693 T CA 0.551 62.241 62.100 -0.683 0.000 1.139 693 T CB 0.193 68.619 68.868 -0.737 0.000 0.890 693 T HN 0.349 nan 8.240 nan 0.000 0.471 694 V N 3.708 123.426 119.914 -0.327 0.000 2.446 694 V HA 0.294 4.414 4.120 -0.000 0.000 0.257 694 V C -1.572 174.344 176.094 -0.296 0.000 1.036 694 V CA -1.649 60.539 62.300 -0.187 0.000 1.196 694 V CB 0.763 32.614 31.823 0.047 0.000 1.446 694 V HN 0.237 nan 8.190 nan 0.000 0.558 695 P HA -0.200 nan 4.420 nan 0.000 0.217 695 P C 0.971 177.958 177.300 -0.521 0.000 1.148 695 P CA 1.389 63.879 63.100 -1.017 0.000 0.834 695 P CB 0.413 31.242 31.700 -1.451 0.000 0.783 696 D N -0.552 119.718 120.400 -0.217 0.000 2.311 696 D HA -0.058 4.582 4.640 -0.000 0.000 0.212 696 D C 1.637 177.913 176.300 -0.040 0.000 0.972 696 D CA 0.854 54.827 54.000 -0.046 0.000 0.887 696 D CB -0.064 40.782 40.800 0.075 0.000 0.915 696 D HN 0.324 nan 8.370 nan 0.000 0.497 697 L N -0.340 120.864 121.223 -0.032 0.000 2.808 697 L HA 0.305 4.645 4.340 -0.000 0.000 0.246 697 L C 0.683 177.572 176.870 0.032 0.000 1.153 697 L CA -0.302 54.546 54.840 0.014 0.000 0.956 697 L CB 0.582 42.694 42.059 0.089 0.000 1.270 697 L HN -0.177 nan 8.230 nan 0.000 0.528 698 A N 0.634 123.448 122.820 -0.010 0.000 2.282 698 A HA 0.805 5.125 4.320 -0.000 0.000 0.319 698 A C -0.783 176.906 177.584 0.175 0.000 1.121 698 A CA -0.194 51.876 52.037 0.054 0.000 0.836 698 A CB 0.968 19.920 19.000 -0.080 0.000 1.146 698 A HN 0.130 nan 8.150 nan 0.000 0.494 699 L N 0.492 121.825 121.223 0.183 0.000 2.445 699 L HA 0.525 4.865 4.340 -0.000 0.000 0.262 699 L C -0.843 176.112 176.870 0.141 0.000 0.974 699 L CA -0.427 54.508 54.840 0.159 0.000 0.822 699 L CB 2.340 44.467 42.059 0.112 0.000 1.339 699 L HN 0.408 nan 8.230 nan 0.000 0.409 700 V N 2.209 122.167 119.914 0.074 0.000 2.417 700 V HA 0.601 4.721 4.120 -0.000 0.000 0.291 700 V C -0.302 175.751 176.094 -0.068 0.000 1.024 700 V CA -0.599 61.664 62.300 -0.061 0.000 0.861 700 V CB 1.712 33.462 31.823 -0.122 0.000 0.985 700 V HN 0.707 nan 8.190 nan 0.000 0.436 701 R N 3.834 124.245 120.500 -0.149 0.000 2.534 701 R HA 0.630 4.970 4.340 -0.000 0.000 0.301 701 R C -1.788 174.357 176.300 -0.258 0.000 0.961 701 R CA -0.491 55.576 56.100 -0.055 0.000 0.871 701 R CB 1.263 31.618 30.300 0.090 0.000 1.170 701 R HN 0.507 nan 8.270 nan 0.000 0.446 702 F N 4.554 124.534 119.950 0.050 0.000 2.427 702 F HA 0.473 5.000 4.527 -0.000 0.000 0.346 702 F C 0.237 176.053 175.800 0.026 0.000 1.120 702 F CA -0.601 57.413 58.000 0.024 0.000 1.033 702 F CB 1.917 40.925 39.000 0.013 0.000 1.126 702 F HN 0.305 nan 8.300 nan 0.000 0.462 703 M N 4.392 124.070 119.600 0.130 0.000 2.327 703 M HA 0.683 5.163 4.480 -0.000 0.000 0.298 703 M C -2.024 174.266 176.300 -0.017 0.000 1.065 703 M CA -0.697 54.644 55.300 0.068 0.000 0.916 703 M CB 1.694 34.362 32.600 0.113 0.000 1.630 703 M HN 0.287 nan 8.290 nan 0.000 0.442 704 V N 4.038 123.879 119.914 -0.121 0.000 2.384 704 V HA 0.496 4.616 4.120 -0.000 0.000 0.287 704 V C -0.402 175.614 176.094 -0.130 0.000 1.020 704 V CA -0.596 61.635 62.300 -0.115 0.000 0.850 704 V CB 1.368 33.133 31.823 -0.096 0.000 0.987 704 V HN 0.871 nan 8.190 nan 0.000 0.436 705 E N 2.156 122.350 120.200 -0.010 0.000 2.235 705 E HA 0.406 4.756 4.350 -0.000 0.000 0.265 705 E C -1.216 175.446 176.600 0.103 0.000 0.940 705 E CA -0.805 55.626 56.400 0.052 0.000 0.819 705 E CB 2.034 31.798 29.700 0.106 0.000 1.206 705 E HN 0.674 nan 8.360 nan 0.000 0.409 706 D N 1.529 121.995 120.400 0.111 0.000 2.427 706 D HA 0.064 4.704 4.640 -0.000 0.000 0.226 706 D C -1.335 175.057 176.300 0.153 0.000 1.076 706 D CA -0.483 53.596 54.000 0.131 0.000 0.849 706 D CB 0.076 40.931 40.800 0.091 0.000 1.052 706 D HN 0.307 nan 8.370 nan 0.000 0.515 707 Y N 3.315 123.664 120.300 0.082 0.000 2.620 707 Y HA 0.238 4.788 4.550 -0.000 0.000 0.330 707 Y C -0.399 175.538 175.900 0.062 0.000 1.186 707 Y CA 0.468 58.612 58.100 0.074 0.000 1.467 707 Y CB 0.581 39.090 38.460 0.082 0.000 1.262 707 Y HN 0.244 nan 8.280 nan 0.000 0.550 708 D N 3.662 123.599 120.400 -0.772 0.000 2.620 708 D HA 0.166 4.806 4.640 -0.000 0.000 0.252 708 D C 0.507 176.276 176.300 -0.885 0.000 1.207 708 D CA 0.017 53.643 54.000 -0.622 0.000 0.884 708 D CB 1.738 42.386 40.800 -0.253 0.000 1.262 708 D HN 0.696 nan 8.370 nan 0.000 0.552 709 S N 2.200 117.513 115.700 -0.645 0.000 2.351 709 S HA -0.238 4.232 4.470 -0.000 0.000 0.220 709 S C 1.993 176.499 174.600 -0.157 0.000 1.035 709 S CA 1.679 59.711 58.200 -0.280 0.000 1.031 709 S CB -0.539 62.659 63.200 -0.003 0.000 0.928 709 S HN 0.519 nan 8.310 nan 0.000 0.433 710 S N 2.712 118.344 115.700 -0.113 0.000 2.344 710 S HA -0.052 4.418 4.470 -0.000 0.000 0.217 710 S C 1.413 175.972 174.600 -0.068 0.000 1.033 710 S CA 0.949 59.112 58.200 -0.063 0.000 1.017 710 S CB -1.129 62.047 63.200 -0.040 0.000 0.941 710 S HN 0.868 nan 8.310 nan 0.000 0.430 711 S N 0.972 116.620 115.700 -0.086 0.000 2.690 711 S HA 0.441 4.911 4.470 -0.000 0.000 0.285 711 S C -0.217 174.335 174.600 -0.079 0.000 1.135 711 S CA -0.923 57.239 58.200 -0.063 0.000 1.020 711 S CB 0.519 63.694 63.200 -0.041 0.000 1.159 711 S HN 0.594 nan 8.310 nan 0.000 0.534 712 K N 0.826 121.203 120.400 -0.037 0.000 2.298 712 K HA 0.124 4.444 4.320 -0.000 0.000 0.280 712 K C -0.640 175.949 176.600 -0.019 0.000 1.032 712 K CA -0.413 55.865 56.287 -0.016 0.000 0.958 712 K CB 0.091 32.598 32.500 0.011 0.000 0.978 712 K HN 0.594 nan 8.250 nan 0.000 0.472 713 N N 3.243 121.940 118.700 -0.004 0.000 2.492 713 N HA 0.025 4.765 4.740 -0.000 0.000 0.262 713 N C -0.767 174.788 175.510 0.075 0.000 1.202 713 N CA 0.098 53.160 53.050 0.021 0.000 0.926 713 N CB 0.484 39.015 38.487 0.073 0.000 1.078 713 N HN 0.478 nan 8.380 nan 0.000 0.454 714 D N 0.810 121.259 120.400 0.081 0.000 2.345 714 D HA 0.059 4.699 4.640 -0.000 0.000 0.247 714 D C 0.002 176.412 176.300 0.184 0.000 1.108 714 D CA -0.124 53.952 54.000 0.127 0.000 0.894 714 D CB 0.576 41.439 40.800 0.104 0.000 1.203 714 D HN 0.353 nan 8.370 nan 0.000 0.430 715 F N 1.491 121.477 119.950 0.059 0.000 2.412 715 F HA 0.225 4.752 4.527 -0.000 0.000 0.348 715 F C 0.595 176.446 175.800 0.085 0.000 1.102 715 F CA -0.172 57.871 58.000 0.071 0.000 1.196 715 F CB 0.488 39.526 39.000 0.064 0.000 1.144 715 F HN 0.276 nan 8.300 nan 0.000 0.541 716 I N 3.126 123.429 120.570 -0.445 0.000 3.194 716 I HA 0.401 4.571 4.170 -0.000 0.000 0.271 716 I C 1.063 176.899 176.117 -0.468 0.000 1.150 716 I CA 0.507 61.639 61.300 -0.280 0.000 1.440 716 I CB 0.137 38.041 38.000 -0.159 0.000 1.276 716 I HN 0.746 nan 8.210 nan 0.000 0.457 717 G N -0.464 107.786 108.800 -0.917 0.000 2.559 717 G HA2 0.533 4.493 3.960 -0.000 0.000 0.291 717 G HA3 0.533 4.493 3.960 -0.000 0.000 0.291 717 G C -2.055 172.559 174.900 -0.476 0.000 1.424 717 G CA -0.215 44.581 45.100 -0.507 0.000 0.786 717 G HN -0.079 nan 8.290 nan 0.000 0.485 718 Q N -0.938 118.872 119.800 0.016 0.000 2.630 718 Q HA 0.692 5.032 4.340 -0.000 0.000 0.295 718 Q C -1.926 174.199 176.000 0.208 0.000 0.944 718 Q CA -0.615 55.289 55.803 0.168 0.000 0.766 718 Q CB 1.905 30.897 28.738 0.423 0.000 1.471 718 Q HN 1.311 nan 8.270 nan 0.000 0.416 719 S N 0.431 116.278 115.700 0.245 0.000 2.570 719 S HA 0.563 5.033 4.470 -0.000 0.000 0.286 719 S C -1.847 172.939 174.600 0.310 0.000 1.143 719 S CA -0.192 58.159 58.200 0.250 0.000 0.921 719 S CB 1.550 64.876 63.200 0.211 0.000 1.108 719 S HN 0.513 nan 8.310 nan 0.000 0.456 720 T N 5.202 119.910 114.554 0.256 0.000 2.812 720 T HA 0.614 4.963 4.350 -0.000 0.000 0.282 720 T C -0.667 174.191 174.700 0.264 0.000 0.990 720 T CA -0.377 61.852 62.100 0.216 0.000 0.960 720 T CB 0.665 69.603 68.868 0.117 0.000 0.948 720 T HN 0.573 nan 8.240 nan 0.000 0.438 721 I N 4.788 125.477 120.570 0.199 0.000 2.418 721 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 721 I C -2.523 173.578 176.117 -0.026 0.000 1.008 721 I CA -2.829 58.514 61.300 0.072 0.000 1.104 721 I CB 2.324 40.340 38.000 0.027 0.000 1.264 721 I HN 0.281 nan 8.210 nan 0.000 0.438 722 P HA -0.088 nan 4.420 nan 0.000 0.267 722 P C 0.655 177.938 177.300 -0.029 0.000 1.205 722 P CA -0.028 63.047 63.100 -0.041 0.000 0.765 722 P CB 0.622 32.266 31.700 -0.094 0.000 0.828 723 W N 4.680 125.922 121.300 -0.097 0.000 2.280 723 W HA -0.316 4.344 4.660 -0.000 0.000 0.332 723 W C 0.820 177.291 176.519 -0.079 0.000 1.300 723 W CA 1.983 59.279 57.345 -0.081 0.000 1.274 723 W CB -0.875 28.548 29.460 -0.062 0.000 1.141 723 W HN 0.370 nan 8.180 nan 0.000 0.474 724 N N 0.242 119.056 118.700 0.189 0.000 2.609 724 N HA -0.083 4.657 4.740 -0.000 0.000 0.190 724 N C 1.146 176.686 175.510 0.050 0.000 1.157 724 N CA 1.221 54.346 53.050 0.124 0.000 0.918 724 N CB -0.191 38.418 38.487 0.203 0.000 0.978 724 N HN 0.026 nan 8.380 nan 0.000 0.448 725 S N -0.032 115.601 115.700 -0.111 0.000 2.559 725 S HA 0.174 4.644 4.470 -0.000 0.000 0.226 725 S C 0.216 174.554 174.600 -0.435 0.000 1.000 725 S CA -0.532 57.525 58.200 -0.239 0.000 0.948 725 S CB 0.614 63.575 63.200 -0.399 0.000 0.870 725 S HN 0.114 nan 8.310 nan 0.000 0.497 726 L N 3.674 124.658 121.223 -0.398 0.000 2.361 726 L HA 0.282 4.622 4.340 -0.000 0.000 0.278 726 L C -0.043 176.626 176.870 -0.334 0.000 1.113 726 L CA 0.347 54.958 54.840 -0.382 0.000 0.849 726 L CB 0.149 41.907 42.059 -0.502 0.000 1.155 726 L HN -0.092 nan 8.230 nan 0.000 0.452 727 K N 4.953 125.200 120.400 -0.255 0.000 2.143 727 K HA 0.330 4.650 4.320 -0.000 0.000 0.272 727 K C -0.435 176.040 176.600 -0.209 0.000 1.001 727 K CA -0.575 55.584 56.287 -0.213 0.000 0.915 727 K CB 1.394 33.802 32.500 -0.153 0.000 1.047 727 K HN 0.652 nan 8.250 nan 0.000 0.458 728 Q N -0.053 119.623 119.800 -0.205 0.000 2.199 728 Q HA 0.502 4.842 4.340 -0.000 0.000 0.232 728 Q C 0.505 176.362 176.000 -0.238 0.000 0.969 728 Q CA -0.426 55.242 55.803 -0.224 0.000 0.925 728 Q CB 1.290 29.896 28.738 -0.218 0.000 1.198 728 Q HN 0.859 nan 8.270 nan 0.000 0.494 729 G N -0.326 108.285 108.800 -0.314 0.000 2.484 729 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.225 729 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.225 729 G C -1.434 173.191 174.900 -0.458 0.000 1.250 729 G CA -0.719 44.130 45.100 -0.418 0.000 0.926 729 G HN 0.459 nan 8.290 nan 0.000 0.581 730 Y N 2.386 122.596 120.300 -0.150 0.000 2.336 730 Y HA 0.730 5.280 4.550 -0.000 0.000 0.335 730 Y C 1.327 177.098 175.900 -0.215 0.000 1.046 730 Y CA -0.049 57.925 58.100 -0.209 0.000 1.198 730 Y CB 1.140 39.650 38.460 0.083 0.000 1.182 730 Y HN 0.560 nan 8.280 nan 0.000 0.502 731 R N 1.198 121.551 120.500 -0.245 0.000 2.781 731 R HA 0.400 4.740 4.340 -0.000 0.000 0.269 731 R C -1.627 174.499 176.300 -0.291 0.000 1.025 731 R CA -1.336 54.649 56.100 -0.191 0.000 0.914 731 R CB 1.639 31.838 30.300 -0.167 0.000 1.236 731 R HN 0.704 nan 8.270 nan 0.000 0.465 732 H N -0.616 118.428 119.070 -0.043 0.000 2.469 732 H HA 0.420 4.976 4.556 -0.000 0.000 0.342 732 H C -0.547 174.661 175.328 -0.200 0.000 1.115 732 H CA -0.565 55.418 56.048 -0.107 0.000 1.204 732 H CB 2.048 31.692 29.762 -0.196 0.000 1.492 732 H HN 0.039 nan 8.280 nan 0.000 0.499 733 V N 4.064 123.875 119.914 -0.171 0.000 2.364 733 V HA 0.076 4.196 4.120 -0.000 0.000 0.272 733 V C -0.353 175.647 176.094 -0.157 0.000 1.036 733 V CA -0.620 61.553 62.300 -0.211 0.000 0.880 733 V CB 0.149 31.670 31.823 -0.504 0.000 0.991 733 V HN 0.809 nan 8.190 nan 0.000 0.460 734 H N 4.881 123.944 119.070 -0.011 0.000 2.846 734 H HA 0.404 4.960 4.556 -0.000 0.000 0.278 734 H C 0.010 175.365 175.328 0.046 0.000 1.117 734 H CA -0.319 55.739 56.048 0.016 0.000 1.406 734 H CB 0.284 30.052 29.762 0.010 0.000 1.445 734 H HN 0.516 nan 8.280 nan 0.000 0.469 735 L N 4.396 125.695 121.223 0.128 0.000 2.453 735 L HA 0.097 4.436 4.340 -0.000 0.000 0.272 735 L C 0.094 177.099 176.870 0.226 0.000 1.182 735 L CA 0.091 55.027 54.840 0.160 0.000 0.858 735 L CB 0.288 42.422 42.059 0.125 0.000 1.120 735 L HN 0.419 nan 8.230 nan 0.000 0.474 736 L N 1.951 123.288 121.223 0.189 0.000 2.334 736 L HA 0.450 4.790 4.340 -0.000 0.000 0.272 736 L C 0.601 177.573 176.870 0.171 0.000 1.020 736 L CA -0.543 54.366 54.840 0.115 0.000 0.812 736 L CB 1.925 44.050 42.059 0.109 0.000 1.264 736 L HN 0.761 nan 8.230 nan 0.000 0.439 737 S N 0.323 116.006 115.700 -0.027 0.000 2.661 737 S HA 0.212 4.682 4.470 -0.000 0.000 0.265 737 S C 0.873 175.603 174.600 0.216 0.000 1.225 737 S CA -0.547 57.736 58.200 0.138 0.000 0.986 737 S CB 1.047 64.177 63.200 -0.117 0.000 1.008 737 S HN 0.623 nan 8.310 nan 0.000 0.565 738 K N 0.684 121.173 120.400 0.148 0.000 2.113 738 K HA -0.103 4.216 4.320 -0.000 0.000 0.208 738 K C 1.181 177.708 176.600 -0.121 0.000 1.047 738 K CA 1.664 57.830 56.287 -0.202 0.000 0.928 738 K CB -0.381 31.995 32.500 -0.206 0.000 0.716 738 K HN 0.578 nan 8.250 nan 0.000 0.446 739 N N -0.487 118.178 118.700 -0.057 0.000 2.449 739 N HA -0.002 4.738 4.740 -0.000 0.000 0.191 739 N C 0.889 176.371 175.510 -0.047 0.000 1.161 739 N CA 1.002 54.018 53.050 -0.058 0.000 0.863 739 N CB 1.108 39.570 38.487 -0.042 0.000 0.980 739 N HN 0.382 nan 8.380 nan 0.000 0.458 740 G N 0.888 109.669 108.800 -0.030 0.000 2.176 740 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 740 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 740 G C -0.379 174.506 174.900 -0.025 0.000 0.979 740 G CA -0.165 44.925 45.100 -0.016 0.000 0.641 740 G HN 0.296 nan 8.290 nan 0.000 0.530 741 D N 0.966 121.334 120.400 -0.054 0.000 2.382 741 D HA 0.292 4.932 4.640 -0.000 0.000 0.245 741 D C 0.573 176.803 176.300 -0.115 0.000 1.120 741 D CA 0.152 54.105 54.000 -0.077 0.000 0.890 741 D CB 0.700 41.443 40.800 -0.095 0.000 1.201 741 D HN 0.150 nan 8.370 nan 0.000 0.433 742 Q N 1.170 120.929 119.800 -0.068 0.000 2.296 742 Q HA 0.059 4.399 4.340 -0.000 0.000 0.262 742 Q C -0.597 175.387 176.000 -0.026 0.000 0.981 742 Q CA 0.125 55.911 55.803 -0.029 0.000 0.905 742 Q CB 0.438 29.173 28.738 -0.004 0.000 1.186 742 Q HN 0.381 nan 8.270 nan 0.000 0.399 743 H N 4.960 124.071 119.070 0.069 0.000 2.782 743 H HA 0.049 4.604 4.556 -0.000 0.000 0.285 743 H C -1.101 174.266 175.328 0.065 0.000 1.093 743 H CA -1.591 54.495 56.048 0.063 0.000 1.410 743 H CB 0.969 30.766 29.762 0.059 0.000 1.439 743 H HN 0.498 nan 8.280 nan 0.000 0.469 744 P HA -0.236 nan 4.420 nan 0.000 0.219 744 P C 0.613 177.982 177.300 0.115 0.000 1.158 744 P CA 1.528 64.701 63.100 0.122 0.000 0.895 744 P CB 0.411 32.171 31.700 0.099 0.000 0.792 745 S N -2.034 113.722 115.700 0.094 0.000 2.603 745 S HA 0.446 4.916 4.470 -0.000 0.000 0.232 745 S C 0.758 175.349 174.600 -0.015 0.000 1.016 745 S CA -0.123 58.097 58.200 0.032 0.000 0.976 745 S CB 0.314 63.527 63.200 0.021 0.000 0.921 745 S HN 0.300 nan 8.310 nan 0.000 0.516 746 A N 2.612 125.438 122.820 0.009 0.000 2.276 746 A HA 0.635 4.955 4.320 -0.000 0.000 0.300 746 A C 0.467 178.020 177.584 -0.052 0.000 1.235 746 A CA -0.270 51.736 52.037 -0.051 0.000 0.867 746 A CB 0.056 18.980 19.000 -0.125 0.000 1.137 746 A HN 0.304 nan 8.150 nan 0.000 0.527 747 T N 0.035 114.529 114.554 -0.101 0.000 2.841 747 T HA 0.736 5.085 4.350 -0.000 0.000 0.296 747 T C -0.677 174.006 174.700 -0.028 0.000 1.166 747 T CA -0.773 61.242 62.100 -0.141 0.000 1.007 747 T CB 1.026 69.718 68.868 -0.294 0.000 1.253 747 T HN 0.423 nan 8.240 nan 0.000 0.511 748 L N 1.141 122.354 121.223 -0.017 0.000 2.362 748 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 748 L C -1.351 175.576 176.870 0.095 0.000 1.002 748 L CA -1.060 53.807 54.840 0.045 0.000 0.818 748 L CB 2.092 44.112 42.059 -0.065 0.000 1.298 748 L HN 0.687 nan 8.230 nan 0.000 0.420 749 F N 4.335 124.257 119.950 -0.045 0.000 2.411 749 F HA 0.649 5.176 4.527 -0.000 0.000 0.352 749 F C -0.320 175.396 175.800 -0.140 0.000 1.123 749 F CA -0.694 57.175 58.000 -0.218 0.000 1.044 749 F CB 1.262 40.151 39.000 -0.184 0.000 1.135 749 F HN 0.131 nan 8.300 nan 0.000 0.461 750 V N 2.942 122.406 119.914 -0.749 0.000 3.167 750 V HA 0.670 4.790 4.120 -0.000 0.000 0.310 750 V C -1.607 174.119 176.094 -0.613 0.000 1.207 750 V CA -1.168 60.807 62.300 -0.541 0.000 1.059 750 V CB 2.005 33.649 31.823 -0.299 0.000 1.079 750 V HN 0.763 nan 8.190 nan 0.000 0.446 751 K N 1.435 121.591 120.400 -0.406 0.000 2.463 751 K HA 0.736 5.056 4.320 -0.000 0.000 0.255 751 K C -1.708 174.712 176.600 -0.299 0.000 0.942 751 K CA -0.635 55.382 56.287 -0.449 0.000 0.814 751 K CB 1.716 33.898 32.500 -0.530 0.000 1.122 751 K HN 0.817 nan 8.250 nan 0.000 0.425 752 I N 2.593 122.989 120.570 -0.290 0.000 2.441 752 I HA 0.298 4.467 4.170 -0.000 0.000 0.295 752 I C -0.526 175.460 176.117 -0.219 0.000 0.994 752 I CA -0.589 60.592 61.300 -0.199 0.000 1.144 752 I CB 2.075 39.966 38.000 -0.182 0.000 1.314 752 I HN 0.608 nan 8.210 nan 0.000 0.445 753 S N 7.312 122.914 115.700 -0.164 0.000 2.619 753 S HA 0.699 5.169 4.470 -0.000 0.000 0.280 753 S C -1.093 173.447 174.600 -0.100 0.000 1.150 753 S CA -0.623 57.486 58.200 -0.152 0.000 0.978 753 S CB 1.177 64.288 63.200 -0.149 0.000 1.041 753 S HN 0.475 nan 8.310 nan 0.000 0.485 754 I N 3.762 124.272 120.570 -0.100 0.000 2.436 754 I HA 0.525 4.695 4.170 -0.000 0.000 0.289 754 I C -0.308 175.810 176.117 0.001 0.000 1.010 754 I CA -0.426 60.856 61.300 -0.030 0.000 1.098 754 I CB 1.936 39.891 38.000 -0.074 0.000 1.266 754 I HN 0.741 nan 8.210 nan 0.000 0.434 755 Q N 5.094 124.918 119.800 0.038 0.000 2.389 755 Q HA 0.410 4.750 4.340 -0.000 0.000 0.277 755 Q C -1.820 174.201 176.000 0.035 0.000 1.082 755 Q CA -0.699 55.117 55.803 0.022 0.000 0.810 755 Q CB 2.861 31.601 28.738 0.004 0.000 1.374 755 Q HN 0.622 nan 8.270 nan 0.000 0.422 756 D N 0.000 120.412 120.400 0.019 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.003 54.000 0.005 0.000 0.868 756 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683