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 2vqi_1_B DATA FIRST_RESID 146 DATA SEQUENCE LXLDYNLNGT VSRNYQGGDS HQFSYNGTVG GNLGPWRLRA DYQGSQEQSR DATA SEQUENCE YNGEKTTNRN FTWSRFYLFR AIPRWRANLT LGENNINSDI FRSWSYTGAS DATA SEQUENCE LESXXXXLPP RLRGYAPQIT GIAETNARVV VSQQGRVLYD SXVPAGPFSI DATA SEQUENCE QDLDSSVRGR LDVEVIEQNG RKKTFQVDTA SVPYLTRPGQ VRYKLVSGRS DATA SEQUENCE RGYGXXXXGP VFATGEASWG LSNQWSLYGG AVLAGDYNAL AAGAGWDLGV DATA SEQUENCE PGTLSADITQ SVARIEGERT FQGKSWRLSY SKRFXXXXAD ITFAGYRFSE DATA SEQUENCE RNYXTXEQYL NARYRNDYSS REKEXYTVTL NKNVADWNTS FNLQYSRQTY DATA SEQUENCE WDIRKTDYYT VSVNRYFNVF XXXGVAVGLS ASRSKYLGRD NDSAYLRISV DATA SEQUENCE PLGTGTASYS GSXSNDRYVN XAGYTDTFND GLDSYSLNAG LNSGGGLTSQ DATA SEQUENCE RQINAYYSHR SPLANLSANI ASLQKGYTSF GVSASGGATI T 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 146 L HA 0.000 nan 4.340 nan 0.000 0.249 146 L C 0.000 176.906 176.870 0.059 0.000 1.165 146 L CA 0.000 54.868 54.840 0.047 0.000 0.813 146 L CB 0.000 42.085 42.059 0.044 0.000 0.961 149 D N 4.209 124.704 120.400 0.159 0.000 2.540 149 D HA 0.332 4.975 4.640 0.005 0.000 0.251 149 D C -0.987 175.321 176.300 0.014 0.000 1.159 149 D CA 0.300 54.318 54.000 0.030 0.000 0.974 149 D CB 0.069 40.863 40.800 -0.010 0.000 0.996 149 D HN 0.358 nan 8.370 nan 0.000 0.512 150 Y N -0.501 119.835 120.300 0.060 0.000 2.376 150 Y HA 0.632 5.185 4.550 0.005 0.000 0.325 150 Y C -0.298 175.613 175.900 0.017 0.000 1.199 150 Y CA -1.170 56.981 58.100 0.085 0.000 1.206 150 Y CB 1.042 39.587 38.460 0.142 0.000 1.229 150 Y HN -0.041 nan 8.280 nan 0.000 0.480 151 N N 3.945 122.760 118.700 0.191 0.000 2.397 151 N HA 0.428 5.171 4.740 0.005 0.000 0.291 151 N C -2.287 173.296 175.510 0.122 0.000 1.065 151 N CA -0.416 52.676 53.050 0.069 0.000 0.884 151 N CB 1.543 39.957 38.487 -0.122 0.000 1.551 151 N HN 0.920 nan 8.380 nan 0.000 0.487 152 L N 2.357 123.671 121.223 0.151 0.000 2.408 152 L HA 0.597 4.940 4.340 0.005 0.000 0.268 152 L C -0.513 176.411 176.870 0.089 0.000 0.986 152 L CA -0.978 53.965 54.840 0.171 0.000 0.820 152 L CB 2.134 44.362 42.059 0.283 0.000 1.303 152 L HN 0.428 nan 8.230 nan 0.000 0.411 153 N N 1.335 120.073 118.700 0.063 0.000 2.262 153 N HA 0.797 5.539 4.740 0.005 0.000 0.295 153 N C -0.820 174.776 175.510 0.142 0.000 1.161 153 N CA -0.573 52.494 53.050 0.029 0.000 0.767 153 N CB 2.926 41.370 38.487 -0.071 0.000 1.499 153 N HN 0.798 nan 8.380 nan 0.000 0.476 154 G N -0.367 108.486 108.800 0.089 0.000 2.750 154 G HA2 0.508 4.471 3.960 0.005 0.000 0.298 154 G HA3 0.508 4.471 3.960 0.005 0.000 0.298 154 G C -1.161 173.737 174.900 -0.004 0.000 1.412 154 G CA -0.476 44.707 45.100 0.138 0.000 1.078 154 G HN 0.599 nan 8.290 nan 0.000 0.573 155 T N -1.799 112.763 114.554 0.013 0.000 2.883 155 T HA 0.795 5.148 4.350 0.005 0.000 0.301 155 T C -1.351 173.346 174.700 -0.005 0.000 1.158 155 T CA -0.844 61.229 62.100 -0.044 0.000 1.007 155 T CB 2.198 71.042 68.868 -0.039 0.000 1.186 155 T HN 0.974 nan 8.240 nan 0.000 0.499 156 V N 2.400 122.312 119.914 -0.004 0.000 2.686 156 V HA 0.824 4.947 4.120 0.005 0.000 0.306 156 V C -0.407 175.681 176.094 -0.010 0.000 1.065 156 V CA -0.555 61.692 62.300 -0.088 0.000 0.894 156 V CB 1.943 33.731 31.823 -0.059 0.000 1.004 156 V HN 1.363 nan 8.190 nan 0.000 0.424 157 S N 4.779 120.449 115.700 -0.051 0.000 2.564 157 S HA 0.857 5.330 4.470 0.005 0.000 0.274 157 S C -0.989 173.636 174.600 0.041 0.000 1.124 157 S CA -0.972 57.254 58.200 0.042 0.000 0.869 157 S CB 2.582 65.813 63.200 0.052 0.000 1.105 157 S HN 0.764 nan 8.310 nan 0.000 0.472 158 R N 1.057 121.618 120.500 0.103 0.000 2.670 158 R HA 0.563 4.906 4.340 0.005 0.000 0.289 158 R C -1.247 175.148 176.300 0.158 0.000 0.965 158 R CA -0.566 55.597 56.100 0.105 0.000 0.899 158 R CB 1.079 31.431 30.300 0.088 0.000 1.173 158 R HN 0.752 nan 8.270 nan 0.000 0.456 159 N N 1.576 120.368 118.700 0.153 0.000 2.489 159 N HA 0.073 4.816 4.740 0.005 0.000 0.284 159 N C -0.043 175.587 175.510 0.199 0.000 1.158 159 N CA -0.321 52.847 53.050 0.197 0.000 0.965 159 N CB 0.661 39.259 38.487 0.185 0.000 1.195 159 N HN 0.572 nan 8.380 nan 0.000 0.506 160 Y N 0.928 121.295 120.300 0.112 0.000 2.439 160 Y HA -0.042 4.511 4.550 0.004 0.000 0.292 160 Y C 1.179 177.130 175.900 0.085 0.000 1.130 160 Y CA 1.518 59.667 58.100 0.082 0.000 1.254 160 Y CB 0.300 38.803 38.460 0.071 0.000 1.000 160 Y HN 0.542 nan 8.280 nan 0.000 0.554 161 Q N -0.121 119.748 119.800 0.115 0.000 2.365 161 Q HA 0.233 4.576 4.340 0.005 0.000 0.203 161 Q C 1.403 177.425 176.000 0.037 0.000 0.929 161 Q CA 0.643 56.488 55.803 0.071 0.000 0.948 161 Q CB 0.296 29.182 28.738 0.246 0.000 1.043 161 Q HN 0.548 nan 8.270 nan 0.000 0.505 162 G N -0.499 108.315 108.800 0.023 0.000 2.141 162 G HA2 -0.222 3.741 3.960 0.005 0.000 0.242 162 G HA3 -0.222 3.741 3.960 0.005 0.000 0.242 162 G C 0.257 175.209 174.900 0.085 0.000 0.982 162 G CA -0.328 44.781 45.100 0.016 0.000 0.662 162 G HN 0.521 nan 8.290 nan 0.000 0.527 163 G N -0.193 108.710 108.800 0.172 0.000 2.370 163 G HA2 0.532 4.495 3.960 0.005 0.000 0.272 163 G HA3 0.532 4.495 3.960 0.005 0.000 0.272 163 G C -0.663 174.318 174.900 0.136 0.000 1.208 163 G CA -0.066 45.162 45.100 0.213 0.000 0.856 163 G HN 0.213 nan 8.290 nan 0.000 0.500 164 D N -0.238 120.238 120.400 0.126 0.000 2.198 164 D HA 0.610 5.253 4.640 0.005 0.000 0.247 164 D C -0.096 176.261 176.300 0.096 0.000 1.010 164 D CA -0.043 54.013 54.000 0.094 0.000 0.880 164 D CB 1.892 42.765 40.800 0.121 0.000 1.209 164 D HN 0.425 nan 8.370 nan 0.000 0.451 165 S N 1.491 117.200 115.700 0.015 0.000 2.546 165 S HA 0.435 4.908 4.470 0.005 0.000 0.272 165 S C -1.682 172.852 174.600 -0.111 0.000 1.140 165 S CA -0.739 57.480 58.200 0.031 0.000 0.920 165 S CB 0.803 64.015 63.200 0.020 0.000 1.083 165 S HN 0.455 nan 8.310 nan 0.000 0.476 166 H N 2.174 121.282 119.070 0.063 0.000 2.690 166 H HA 0.536 5.095 4.556 0.005 0.000 0.368 166 H C -0.933 174.440 175.328 0.074 0.000 1.150 166 H CA -0.677 55.414 56.048 0.073 0.000 1.174 166 H CB 2.092 31.899 29.762 0.074 0.000 1.684 166 H HN 0.658 nan 8.280 nan 0.000 0.538 167 Q N 2.111 122.026 119.800 0.192 0.000 2.296 167 Q HA 0.236 4.578 4.340 0.005 0.000 0.254 167 Q C -1.677 174.455 176.000 0.220 0.000 0.936 167 Q CA -0.570 55.322 55.803 0.148 0.000 0.834 167 Q CB 2.694 31.466 28.738 0.058 0.000 1.340 167 Q HN 0.384 nan 8.270 nan 0.000 0.428 168 F N 2.234 122.223 119.950 0.066 0.000 2.529 168 F HA 0.731 5.261 4.527 0.005 0.000 0.320 168 F C -1.062 174.793 175.800 0.092 0.000 1.118 168 F CA -0.593 57.456 58.000 0.082 0.000 0.915 168 F CB 1.702 40.766 39.000 0.107 0.000 1.161 168 F HN 0.440 nan 8.300 nan 0.000 0.445 169 S N 5.712 121.090 115.700 -0.538 0.000 2.548 169 S HA 0.793 5.265 4.470 0.005 0.000 0.276 169 S C -1.682 172.593 174.600 -0.542 0.000 1.129 169 S CA -0.602 57.245 58.200 -0.588 0.000 0.931 169 S CB 1.453 64.453 63.200 -0.334 0.000 1.068 169 S HN 0.929 nan 8.310 nan 0.000 0.480 170 Y N 0.396 120.355 120.300 -0.569 0.000 2.534 170 Y HA 0.826 5.379 4.550 0.005 0.000 0.345 170 Y C -0.904 174.855 175.900 -0.235 0.000 1.031 170 Y CA -0.956 56.956 58.100 -0.313 0.000 1.022 170 Y CB 1.501 39.836 38.460 -0.209 0.000 1.292 170 Y HN 0.933 nan 8.280 nan 0.000 0.459 171 N N 1.102 119.715 118.700 -0.145 0.000 2.591 171 N HA 0.758 5.501 4.740 0.005 0.000 0.263 171 N C -1.072 174.100 175.510 -0.563 0.000 1.308 171 N CA -0.189 52.600 53.050 -0.436 0.000 0.837 171 N CB 2.037 40.270 38.487 -0.423 0.000 1.548 171 N HN 1.377 nan 8.380 nan 0.000 0.493 172 G N -0.929 107.179 108.800 -1.154 0.000 2.320 172 G HA2 0.438 4.401 3.960 0.005 0.000 0.296 172 G HA3 0.438 4.401 3.960 0.005 0.000 0.296 172 G C -2.011 172.419 174.900 -0.784 0.000 1.306 172 G CA -0.251 44.337 45.100 -0.854 0.000 0.836 172 G HN 0.739 nan 8.290 nan 0.000 0.517 173 T N -0.714 113.733 114.554 -0.177 0.000 2.937 173 T HA 0.548 4.901 4.350 0.005 0.000 0.297 173 T C -0.738 174.092 174.700 0.216 0.000 0.991 173 T CA -0.349 61.773 62.100 0.036 0.000 0.990 173 T CB 1.280 70.129 68.868 -0.031 0.000 0.991 173 T HN 0.785 nan 8.240 nan 0.000 0.440 174 V N 5.180 125.295 119.914 0.335 0.000 2.498 174 V HA 0.751 4.873 4.120 0.005 0.000 0.279 174 V C 1.123 177.297 176.094 0.133 0.000 1.048 174 V CA 0.358 62.824 62.300 0.278 0.000 0.967 174 V CB 1.129 33.178 31.823 0.377 0.000 0.988 174 V HN 1.079 nan 8.190 nan 0.000 0.473 175 G N 2.352 111.205 108.800 0.089 0.000 3.105 175 G HA2 0.885 4.848 3.960 0.005 0.000 0.277 175 G HA3 0.885 4.848 3.960 0.005 0.000 0.277 175 G C -0.298 174.617 174.900 0.024 0.000 1.375 175 G CA -0.339 44.784 45.100 0.038 0.000 0.962 175 G HN 1.419 nan 8.290 nan 0.000 0.541 176 G N -0.999 107.808 108.800 0.011 0.000 2.357 176 G HA2 0.173 4.136 3.960 0.005 0.000 0.643 176 G HA3 0.173 4.136 3.960 0.005 0.000 0.643 176 G C -1.426 173.452 174.900 -0.037 0.000 1.358 176 G CA -0.844 44.255 45.100 -0.002 0.000 0.986 176 G HN 0.715 nan 8.290 nan 0.000 0.620 177 N N -0.378 118.304 118.700 -0.031 0.000 2.509 177 N HA 0.566 5.309 4.740 0.005 0.000 0.287 177 N C 0.815 176.316 175.510 -0.015 0.000 1.121 177 N CA -0.428 52.597 53.050 -0.042 0.000 0.977 177 N CB 1.562 40.025 38.487 -0.040 0.000 1.167 177 N HN 0.460 nan 8.380 nan 0.000 0.476 178 L N 0.545 121.773 121.223 0.008 0.000 3.066 178 L HA 0.421 4.764 4.340 0.005 0.000 0.265 178 L C 1.008 177.919 176.870 0.068 0.000 1.232 178 L CA -0.308 54.554 54.840 0.037 0.000 1.031 178 L CB 0.034 42.117 42.059 0.040 0.000 1.379 178 L HN 0.717 nan 8.230 nan 0.000 0.563 179 G N 0.032 108.853 108.800 0.035 0.000 2.403 179 G HA2 0.028 3.991 3.960 0.005 0.000 0.223 179 G HA3 0.028 3.991 3.960 0.005 0.000 0.223 179 G C -2.549 172.315 174.900 -0.059 0.000 1.287 179 G CA -0.338 44.769 45.100 0.011 0.000 0.982 179 G HN -0.146 nan 8.290 nan 0.000 0.471 180 P HA 0.217 nan 4.420 nan 0.000 0.252 180 P C 0.164 177.314 177.300 -0.249 0.000 1.218 180 P CA -0.043 62.930 63.100 -0.212 0.000 0.807 180 P CB 0.180 31.710 31.700 -0.282 0.000 1.072 181 W N 2.281 123.507 121.300 -0.123 0.000 2.314 181 W HA 0.013 4.676 4.660 0.005 0.000 0.339 181 W C 0.880 177.228 176.519 -0.284 0.000 1.293 181 W CA -0.548 56.689 57.345 -0.181 0.000 1.288 181 W CB 0.304 29.696 29.460 -0.114 0.000 1.186 181 W HN -0.153 nan 8.180 nan 0.000 0.566 182 R N 3.889 124.267 120.500 -0.202 0.000 2.740 182 R HA 0.737 5.080 4.340 0.005 0.000 0.282 182 R C -0.882 175.200 176.300 -0.363 0.000 0.969 182 R CA -1.257 54.578 56.100 -0.442 0.000 0.918 182 R CB 1.836 31.561 30.300 -0.959 0.000 1.175 182 R HN 0.583 nan 8.270 nan 0.000 0.464 183 L N 0.810 121.905 121.223 -0.212 0.000 2.319 183 L HA 0.712 5.055 4.340 0.005 0.000 0.267 183 L C -0.931 175.816 176.870 -0.205 0.000 1.011 183 L CA -0.966 53.731 54.840 -0.238 0.000 0.818 183 L CB 2.127 44.014 42.059 -0.287 0.000 1.316 183 L HN 0.736 nan 8.230 nan 0.000 0.432 184 R N 3.350 123.585 120.500 -0.441 0.000 2.549 184 R HA 0.702 5.044 4.340 0.005 0.000 0.291 184 R C -1.982 174.002 176.300 -0.526 0.000 1.164 184 R CA -0.207 55.645 56.100 -0.414 0.000 0.973 184 R CB 1.738 31.778 30.300 -0.434 0.000 1.210 184 R HN 0.868 nan 8.270 nan 0.000 0.422 185 A N 3.725 126.436 122.820 -0.182 0.000 2.319 185 A HA 0.480 4.802 4.320 0.005 0.000 0.310 185 A C -1.367 176.438 177.584 0.368 0.000 1.152 185 A CA -0.784 51.340 52.037 0.145 0.000 0.783 185 A CB 1.178 20.412 19.000 0.390 0.000 1.184 185 A HN 0.684 nan 8.150 nan 0.000 0.474 186 D N 2.022 122.599 120.400 0.295 0.000 2.233 186 D HA 0.526 5.169 4.640 0.005 0.000 0.240 186 D C -0.648 175.682 176.300 0.050 0.000 1.074 186 D CA 0.539 54.587 54.000 0.080 0.000 0.838 186 D CB 1.030 41.814 40.800 -0.028 0.000 1.124 186 D HN 0.518 nan 8.370 nan 0.000 0.475 187 Y N -0.405 119.749 120.300 -0.242 0.000 2.562 187 Y HA 0.697 5.249 4.550 0.005 0.000 0.343 187 Y C -0.824 174.739 175.900 -0.561 0.000 1.025 187 Y CA -1.237 56.471 58.100 -0.653 0.000 1.082 187 Y CB 1.317 39.102 38.460 -1.126 0.000 1.264 187 Y HN 0.279 nan 8.280 nan 0.000 0.478 188 Q N 1.070 120.475 119.800 -0.658 0.000 2.386 188 Q HA 0.790 5.133 4.340 0.005 0.000 0.274 188 Q C -1.312 174.145 176.000 -0.905 0.000 1.011 188 Q CA -0.956 54.445 55.803 -0.670 0.000 0.867 188 Q CB 2.200 30.622 28.738 -0.527 0.000 1.409 188 Q HN 1.250 nan 8.270 nan 0.000 0.395 189 G N 0.296 108.387 108.800 -1.182 0.000 2.684 189 G HA2 0.760 4.723 3.960 0.005 0.000 0.290 189 G HA3 0.760 4.723 3.960 0.005 0.000 0.290 189 G C -1.339 172.853 174.900 -1.180 0.000 1.425 189 G CA -0.212 44.189 45.100 -1.165 0.000 0.822 189 G HN 1.161 nan 8.290 nan 0.000 0.482 190 S N -1.004 114.372 115.700 -0.540 0.000 2.588 190 S HA 0.778 5.250 4.470 0.005 0.000 0.269 190 S C -1.391 173.176 174.600 -0.055 0.000 1.157 190 S CA -0.593 57.404 58.200 -0.340 0.000 0.824 190 S CB 2.147 65.168 63.200 -0.298 0.000 1.126 190 S HN 1.011 nan 8.310 nan 0.000 0.464 191 Q N 0.230 120.044 119.800 0.025 0.000 2.320 191 Q HA 0.515 4.858 4.340 0.005 0.000 0.272 191 Q C -2.060 174.012 176.000 0.119 0.000 1.023 191 Q CA -0.333 55.545 55.803 0.124 0.000 0.855 191 Q CB 1.969 30.865 28.738 0.263 0.000 1.367 191 Q HN 0.823 nan 8.270 nan 0.000 0.406 192 E N 2.300 122.554 120.200 0.089 0.000 2.331 192 E HA 0.371 4.724 4.350 0.005 0.000 0.275 192 E C -1.652 175.003 176.600 0.092 0.000 0.895 192 E CA -0.712 55.742 56.400 0.091 0.000 0.753 192 E CB 2.956 32.684 29.700 0.045 0.000 1.216 192 E HN 0.458 nan 8.360 nan 0.000 0.434 193 Q N 1.136 121.010 119.800 0.124 0.000 2.389 193 Q HA 0.563 4.906 4.340 0.005 0.000 0.277 193 Q C -1.706 174.376 176.000 0.137 0.000 1.082 193 Q CA -0.594 55.277 55.803 0.113 0.000 0.810 193 Q CB 2.182 30.976 28.738 0.093 0.000 1.374 193 Q HN 0.532 nan 8.270 nan 0.000 0.422 194 S N 2.144 117.910 115.700 0.110 0.000 2.572 194 S HA 0.536 5.009 4.470 0.005 0.000 0.274 194 S C -1.224 173.448 174.600 0.121 0.000 1.150 194 S CA -0.752 57.515 58.200 0.112 0.000 0.944 194 S CB 1.580 64.823 63.200 0.073 0.000 1.071 194 S HN 0.555 nan 8.310 nan 0.000 0.479 195 R N 1.599 122.186 120.500 0.145 0.000 2.343 195 R HA 0.576 4.918 4.340 0.005 0.000 0.320 195 R C -1.329 175.098 176.300 0.212 0.000 0.956 195 R CA -0.484 55.702 56.100 0.144 0.000 0.836 195 R CB 1.133 31.502 30.300 0.114 0.000 1.151 195 R HN 0.678 nan 8.270 nan 0.000 0.450 196 Y N 1.911 122.230 120.300 0.032 0.000 3.072 196 Y HA 0.148 4.701 4.550 0.004 0.000 0.314 196 Y C 1.315 177.226 175.900 0.019 0.000 1.446 196 Y CA -0.936 57.180 58.100 0.026 0.000 1.055 196 Y CB 0.663 39.138 38.460 0.026 0.000 1.365 196 Y HN 0.644 nan 8.280 nan 0.000 0.657 197 N N -0.556 117.676 118.700 -0.780 0.000 2.417 197 N HA -0.076 4.667 4.740 0.005 0.000 0.187 197 N C 0.829 176.236 175.510 -0.172 0.000 1.027 197 N CA 1.264 54.014 53.050 -0.499 0.000 0.891 197 N CB 0.132 38.276 38.487 -0.572 0.000 0.956 197 N HN 0.657 nan 8.380 nan 0.000 0.442 198 G N 0.348 109.115 108.800 -0.056 0.000 3.765 198 G HA2 -0.060 3.903 3.960 0.005 0.000 0.153 198 G HA3 -0.060 3.903 3.960 0.005 0.000 0.153 198 G C -0.515 174.405 174.900 0.033 0.000 1.286 198 G CA -0.352 44.743 45.100 -0.008 0.000 0.814 198 G HN 0.494 nan 8.290 nan 0.000 0.772 199 E N 1.739 121.985 120.200 0.077 0.000 2.156 199 E HA 0.605 4.957 4.350 0.005 0.000 0.279 199 E C -0.815 175.840 176.600 0.092 0.000 0.965 199 E CA -0.760 55.689 56.400 0.082 0.000 0.789 199 E CB 1.650 31.407 29.700 0.095 0.000 1.098 199 E HN 0.142 nan 8.360 nan 0.000 0.397 200 K N 1.798 122.237 120.400 0.066 0.000 2.144 200 K HA 0.348 4.671 4.320 0.005 0.000 0.270 200 K C -0.216 176.417 176.600 0.056 0.000 1.005 200 K CA -0.641 55.686 56.287 0.065 0.000 0.932 200 K CB 1.387 33.916 32.500 0.049 0.000 1.021 200 K HN 0.713 nan 8.250 nan 0.000 0.462 201 T N -1.454 113.135 114.554 0.058 0.000 2.916 201 T HA 0.420 4.773 4.350 0.005 0.000 0.298 201 T C -0.546 174.180 174.700 0.044 0.000 1.031 201 T CA -0.822 61.304 62.100 0.045 0.000 0.993 201 T CB 1.638 70.529 68.868 0.040 0.000 1.045 201 T HN 0.662 nan 8.240 nan 0.000 0.454 202 T N 0.945 115.520 114.554 0.035 0.000 2.900 202 T HA 0.731 5.084 4.350 0.005 0.000 0.295 202 T C -1.426 173.291 174.700 0.029 0.000 1.044 202 T CA -0.914 61.208 62.100 0.037 0.000 0.995 202 T CB 1.487 70.376 68.868 0.034 0.000 1.072 202 T HN 0.872 nan 8.240 nan 0.000 0.473 203 N N 2.278 120.996 118.700 0.029 0.000 2.336 203 N HA 0.501 5.244 4.740 0.005 0.000 0.290 203 N C -1.306 174.219 175.510 0.024 0.000 1.058 203 N CA -0.917 52.144 53.050 0.018 0.000 0.865 203 N CB 2.240 40.730 38.487 0.004 0.000 1.581 203 N HN 0.718 nan 8.380 nan 0.000 0.480 204 R N 0.891 121.406 120.500 0.025 0.000 2.673 204 R HA 0.518 4.861 4.340 0.005 0.000 0.281 204 R C -1.062 175.255 176.300 0.028 0.000 0.991 204 R CA -0.910 55.214 56.100 0.040 0.000 0.896 204 R CB 2.341 32.681 30.300 0.066 0.000 1.201 204 R HN 0.716 nan 8.270 nan 0.000 0.457 205 N N 2.592 121.304 118.700 0.019 0.000 2.308 205 N HA 0.419 5.162 4.740 0.005 0.000 0.283 205 N C -1.853 173.682 175.510 0.042 0.000 1.105 205 N CA -0.347 52.707 53.050 0.006 0.000 0.840 205 N CB 2.487 40.933 38.487 -0.068 0.000 1.633 205 N HN 0.451 nan 8.380 nan 0.000 0.476 206 F N 1.129 121.027 119.950 -0.088 0.000 2.650 206 F HA 0.622 5.151 4.527 0.005 0.000 0.310 206 F C -1.176 174.573 175.800 -0.085 0.000 1.112 206 F CA 0.011 57.952 58.000 -0.098 0.000 0.986 206 F CB 1.956 40.950 39.000 -0.010 0.000 1.285 206 F HN 0.593 nan 8.300 nan 0.000 0.440 207 T N 2.980 117.147 114.554 -0.647 0.000 2.831 207 T HA 0.283 4.635 4.350 0.005 0.000 0.333 207 T C -2.405 172.020 174.700 -0.459 0.000 1.684 207 T CA -0.423 61.529 62.100 -0.245 0.000 1.049 207 T CB 0.387 69.187 68.868 -0.113 0.000 1.518 207 T HN 0.559 nan 8.240 nan 0.000 0.491 208 W N 3.652 124.922 121.300 -0.051 0.000 2.317 208 W HA 0.379 5.042 4.660 0.005 0.000 0.327 208 W C 1.881 178.387 176.519 -0.021 0.000 1.036 208 W CA -0.101 57.249 57.345 0.009 0.000 1.419 208 W CB 0.953 30.471 29.460 0.096 0.000 1.253 208 W HN 0.910 nan 8.180 nan 0.000 0.392 209 S N 2.966 118.695 115.700 0.049 0.000 2.365 209 S HA -0.134 4.339 4.470 0.005 0.000 0.225 209 S C 0.540 175.189 174.600 0.082 0.000 1.039 209 S CA 0.901 59.103 58.200 0.004 0.000 1.033 209 S CB -0.186 62.964 63.200 -0.085 0.000 0.887 209 S HN 0.517 nan 8.310 nan 0.000 0.447 210 R N -0.588 120.015 120.500 0.172 0.000 2.584 210 R HA 0.649 4.991 4.340 0.005 0.000 0.276 210 R C -2.120 174.356 176.300 0.293 0.000 1.046 210 R CA -0.660 55.562 56.100 0.204 0.000 0.906 210 R CB 1.104 31.512 30.300 0.181 0.000 1.215 210 R HN 0.275 nan 8.270 nan 0.000 0.449 211 F N 4.246 124.264 119.950 0.114 0.000 2.671 211 F HA 0.503 5.033 4.527 0.005 0.000 0.332 211 F C -1.725 174.099 175.800 0.040 0.000 1.189 211 F CA -0.480 57.516 58.000 -0.007 0.000 0.988 211 F CB 1.405 40.348 39.000 -0.096 0.000 1.258 211 F HN 0.630 nan 8.300 nan 0.000 0.471 212 Y N 4.248 124.309 120.300 -0.398 0.000 2.677 212 Y HA 0.743 5.295 4.550 0.005 0.000 0.334 212 Y C -2.262 173.500 175.900 -0.230 0.000 1.196 212 Y CA -2.003 55.953 58.100 -0.239 0.000 1.059 212 Y CB 0.909 39.309 38.460 -0.101 0.000 1.315 212 Y HN 0.424 nan 8.280 nan 0.000 0.455 213 L N 3.100 124.353 121.223 0.050 0.000 2.334 213 L HA 0.780 5.123 4.340 0.005 0.000 0.272 213 L C -0.961 176.101 176.870 0.319 0.000 1.020 213 L CA -0.984 53.847 54.840 -0.015 0.000 0.812 213 L CB 1.726 43.599 42.059 -0.309 0.000 1.264 213 L HN 0.749 nan 8.230 nan 0.000 0.439 214 F N 0.187 120.262 119.950 0.209 0.000 2.628 214 F HA 0.773 5.303 4.527 0.005 0.000 0.309 214 F C -0.944 175.140 175.800 0.473 0.000 1.108 214 F CA -1.041 57.153 58.000 0.324 0.000 0.971 214 F CB 1.521 40.708 39.000 0.312 0.000 1.279 214 F HN 0.441 nan 8.300 nan 0.000 0.441 215 R N 3.095 123.943 120.500 0.581 0.000 2.564 215 R HA 0.853 5.196 4.340 0.005 0.000 0.284 215 R C -1.718 174.697 176.300 0.192 0.000 1.031 215 R CA -0.774 55.469 56.100 0.238 0.000 0.904 215 R CB 2.023 32.189 30.300 -0.223 0.000 1.199 215 R HN 1.201 nan 8.270 nan 0.000 0.443 216 A N 5.265 128.145 122.820 0.101 0.000 2.328 216 A HA 0.407 4.730 4.320 0.005 0.000 0.284 216 A C -0.067 177.547 177.584 0.050 0.000 1.160 216 A CA -0.613 51.487 52.037 0.105 0.000 0.818 216 A CB 0.249 19.310 19.000 0.102 0.000 1.087 216 A HN 0.761 nan 8.150 nan 0.000 0.504 217 I N 5.101 125.730 120.570 0.100 0.000 2.269 217 I HA 0.161 4.334 4.170 0.005 0.000 0.293 217 I C -1.540 174.652 176.117 0.125 0.000 1.106 217 I CA -1.642 59.732 61.300 0.124 0.000 1.248 217 I CB 1.360 39.516 38.000 0.261 0.000 1.444 217 I HN 0.537 nan 8.210 nan 0.000 0.497 218 P HA -0.181 nan 4.420 nan 0.000 0.214 218 P C 0.625 177.977 177.300 0.087 0.000 1.169 218 P CA 1.514 64.650 63.100 0.060 0.000 0.908 218 P CB 0.177 31.895 31.700 0.030 0.000 0.791 219 R N -2.697 117.865 120.500 0.105 0.000 2.816 219 R HA 0.150 4.493 4.340 0.005 0.000 0.382 219 R C 0.349 176.778 176.300 0.215 0.000 1.140 219 R CA -0.161 56.015 56.100 0.127 0.000 1.050 219 R CB -0.874 29.470 30.300 0.075 0.000 1.396 219 R HN 0.289 nan 8.270 nan 0.000 0.583 220 W N 1.319 122.636 121.300 0.028 0.000 3.220 220 W HA 0.207 4.870 4.660 0.005 0.000 0.328 220 W C 0.128 176.687 176.519 0.067 0.000 1.205 220 W CA -0.679 56.696 57.345 0.050 0.000 1.773 220 W CB 0.459 29.954 29.460 0.058 0.000 1.086 220 W HN 0.076 nan 8.180 nan 0.000 0.622 221 R N -0.354 120.264 120.500 0.195 0.000 3.531 221 R HA -0.178 4.165 4.340 0.005 0.000 0.280 221 R C -0.585 175.710 176.300 -0.008 0.000 1.130 221 R CA 1.096 57.242 56.100 0.077 0.000 0.757 221 R CB -2.297 28.047 30.300 0.073 0.000 1.218 221 R HN 0.150 nan 8.270 nan 0.000 0.454 222 A N -0.194 122.624 122.820 -0.003 0.000 2.606 222 A HA 0.743 5.066 4.320 0.005 0.000 0.293 222 A C -0.772 176.813 177.584 0.002 0.000 1.082 222 A CA -0.820 51.167 52.037 -0.083 0.000 0.685 222 A CB 1.434 20.323 19.000 -0.186 0.000 1.284 222 A HN 0.093 nan 8.150 nan 0.000 0.408 223 N N 0.406 119.097 118.700 -0.015 0.000 2.405 223 N HA 0.585 5.327 4.740 0.005 0.000 0.299 223 N C -1.277 174.296 175.510 0.106 0.000 1.075 223 N CA -0.287 52.811 53.050 0.079 0.000 0.884 223 N CB 2.048 40.579 38.487 0.073 0.000 1.194 223 N HN 0.677 nan 8.380 nan 0.000 0.491 224 L N 1.162 122.514 121.223 0.215 0.000 2.341 224 L HA 0.627 4.970 4.340 0.005 0.000 0.278 224 L C -0.634 176.408 176.870 0.287 0.000 1.005 224 L CA -0.415 54.567 54.840 0.238 0.000 0.818 224 L CB 1.415 43.666 42.059 0.320 0.000 1.259 224 L HN 0.677 nan 8.230 nan 0.000 0.418 225 T N 3.192 117.844 114.554 0.164 0.000 2.928 225 T HA 0.624 4.977 4.350 0.005 0.000 0.296 225 T C -0.889 173.835 174.700 0.040 0.000 1.000 225 T CA -0.710 61.465 62.100 0.124 0.000 0.989 225 T CB 1.426 70.255 68.868 -0.064 0.000 1.005 225 T HN 0.638 nan 8.240 nan 0.000 0.442 226 L N 0.622 121.863 121.223 0.030 0.000 2.431 226 L HA 1.017 5.360 4.340 0.005 0.000 0.266 226 L C -0.005 176.885 176.870 0.033 0.000 0.978 226 L CA -0.220 54.623 54.840 0.005 0.000 0.822 226 L CB 1.715 43.744 42.059 -0.049 0.000 1.310 226 L HN 1.324 nan 8.230 nan 0.000 0.409 227 G N 1.628 110.458 108.800 0.050 0.000 2.302 227 G HA2 0.048 4.011 3.960 0.005 0.000 0.276 227 G HA3 0.048 4.011 3.960 0.005 0.000 0.276 227 G C -1.505 173.418 174.900 0.038 0.000 1.316 227 G CA -0.731 44.424 45.100 0.091 0.000 0.988 227 G HN 0.831 nan 8.290 nan 0.000 0.479 228 E N 0.824 121.074 120.200 0.083 0.000 2.259 228 E HA 0.509 4.862 4.350 0.005 0.000 0.281 228 E C 0.076 176.597 176.600 -0.132 0.000 1.037 228 E CA -0.222 56.156 56.400 -0.035 0.000 0.854 228 E CB 1.135 30.875 29.700 0.066 0.000 1.051 228 E HN 0.420 nan 8.360 nan 0.000 0.409 229 N N 1.978 120.361 118.700 -0.528 0.000 3.439 229 N HA 0.361 5.104 4.740 0.005 0.000 0.313 229 N C -1.671 173.418 175.510 -0.703 0.000 1.598 229 N CA -0.746 51.940 53.050 -0.606 0.000 0.830 229 N CB 1.455 39.475 38.487 -0.779 0.000 1.849 229 N HN 0.285 nan 8.380 nan 0.000 0.598 230 N N -0.415 118.009 118.700 -0.461 0.000 2.225 230 N HA 0.485 5.228 4.740 0.005 0.000 0.298 230 N C -1.011 174.427 175.510 -0.120 0.000 1.076 230 N CA -0.602 52.298 53.050 -0.250 0.000 0.792 230 N CB 1.960 40.345 38.487 -0.170 0.000 1.498 230 N HN 0.487 nan 8.380 nan 0.000 0.474 231 I N -0.377 120.068 120.570 -0.209 0.000 2.529 231 I HA 0.399 4.571 4.170 0.005 0.000 0.284 231 I C -0.412 175.555 176.117 -0.250 0.000 1.082 231 I CA -0.344 60.768 61.300 -0.313 0.000 1.406 231 I CB 0.493 37.966 38.000 -0.877 0.000 1.405 231 I HN 0.536 nan 8.210 nan 0.000 0.548 232 N N 3.619 122.201 118.700 -0.197 0.000 2.851 232 N HA 0.366 5.109 4.740 0.005 0.000 0.248 232 N C -0.761 174.641 175.510 -0.180 0.000 1.221 232 N CA -0.580 52.366 53.050 -0.173 0.000 0.847 232 N CB 1.215 39.602 38.487 -0.167 0.000 1.150 232 N HN 0.716 nan 8.380 nan 0.000 0.507 233 S N 0.160 115.767 115.700 -0.155 0.000 2.617 233 S HA 0.231 4.704 4.470 0.005 0.000 0.283 233 S C 0.141 174.599 174.600 -0.236 0.000 1.189 233 S CA -0.659 57.450 58.200 -0.151 0.000 1.036 233 S CB 0.820 64.038 63.200 0.029 0.000 1.014 233 S HN 0.474 nan 8.310 nan 0.000 0.522 234 D N 2.913 123.048 120.400 -0.442 0.000 2.349 234 D HA 0.205 4.848 4.640 0.005 0.000 0.214 234 D C 0.865 176.874 176.300 -0.486 0.000 1.063 234 D CA 0.307 53.955 54.000 -0.587 0.000 0.847 234 D CB 0.480 40.563 40.800 -1.195 0.000 0.933 234 D HN 0.573 nan 8.370 nan 0.000 0.513 235 I N -1.495 118.863 120.570 -0.353 0.000 4.916 235 I HA 0.139 4.312 4.170 0.005 0.000 0.335 235 I C -0.822 175.060 176.117 -0.392 0.000 1.274 235 I CA 0.051 61.137 61.300 -0.357 0.000 1.365 235 I CB 0.877 38.634 38.000 -0.406 0.000 1.395 235 I HN -0.307 nan 8.210 nan 0.000 0.485 236 F N 1.349 121.316 119.950 0.028 0.000 2.546 236 F HA 0.513 5.043 4.527 0.005 0.000 0.320 236 F C 0.503 176.373 175.800 0.116 0.000 1.076 236 F CA -0.777 57.298 58.000 0.125 0.000 0.928 236 F CB 1.194 40.322 39.000 0.214 0.000 1.189 236 F HN -0.287 nan 8.300 nan 0.000 0.465 237 R N 1.122 121.847 120.500 0.376 0.000 2.543 237 R HA 0.209 4.552 4.340 0.005 0.000 0.277 237 R C 0.264 176.770 176.300 0.343 0.000 1.074 237 R CA -0.076 56.176 56.100 0.255 0.000 1.076 237 R CB 1.093 31.514 30.300 0.201 0.000 0.993 237 R HN 0.735 nan 8.270 nan 0.000 0.459 238 S N 2.412 118.226 115.700 0.190 0.000 2.608 238 S HA 0.347 4.820 4.470 0.005 0.000 0.261 238 S C -1.156 173.646 174.600 0.338 0.000 1.314 238 S CA -0.300 57.979 58.200 0.131 0.000 0.992 238 S CB 0.415 63.600 63.200 -0.026 0.000 0.935 238 S HN 0.549 nan 8.310 nan 0.000 0.564 239 W N 0.918 122.209 121.300 -0.016 0.000 3.161 239 W HA 0.562 5.225 4.660 0.005 0.000 0.314 239 W C -1.104 175.452 176.519 0.062 0.000 1.245 239 W CA -0.666 56.678 57.345 -0.002 0.000 1.191 239 W CB -0.013 29.412 29.460 -0.057 0.000 1.392 239 W HN 0.656 nan 8.180 nan 0.000 0.568 240 S N 1.601 117.414 115.700 0.189 0.000 2.578 240 S HA 0.831 5.304 4.470 0.005 0.000 0.283 240 S C -0.796 173.936 174.600 0.220 0.000 1.195 240 S CA -0.313 57.913 58.200 0.043 0.000 1.050 240 S CB 1.235 64.412 63.200 -0.038 0.000 1.012 240 S HN 1.191 nan 8.310 nan 0.000 0.511 241 Y N -1.250 119.088 120.300 0.064 0.000 2.829 241 Y HA 0.821 5.374 4.550 0.005 0.000 0.322 241 Y C -0.968 174.997 175.900 0.108 0.000 1.357 241 Y CA -1.224 56.993 58.100 0.195 0.000 1.081 241 Y CB 0.925 39.633 38.460 0.413 0.000 1.339 241 Y HN 0.524 nan 8.280 nan 0.000 0.469 242 T N 1.318 116.049 114.554 0.295 0.000 2.906 242 T HA 0.718 5.071 4.350 0.005 0.000 0.302 242 T C -0.331 174.559 174.700 0.317 0.000 1.002 242 T CA -0.055 62.137 62.100 0.152 0.000 0.988 242 T CB 0.736 69.664 68.868 0.099 0.000 0.972 242 T HN 1.282 nan 8.240 nan 0.000 0.447 243 G N 1.654 110.650 108.800 0.325 0.000 2.348 243 G HA2 0.698 4.661 3.960 0.005 0.000 0.296 243 G HA3 0.698 4.661 3.960 0.005 0.000 0.296 243 G C -1.927 173.084 174.900 0.185 0.000 1.258 243 G CA -0.116 45.110 45.100 0.209 0.000 0.868 243 G HN 0.865 nan 8.290 nan 0.000 0.488 244 A N -0.859 122.005 122.820 0.074 0.000 2.384 244 A HA 0.971 5.294 4.320 0.005 0.000 0.312 244 A C -0.095 177.504 177.584 0.026 0.000 1.113 244 A CA 0.157 52.228 52.037 0.057 0.000 0.779 244 A CB 1.742 20.762 19.000 0.033 0.000 1.307 244 A HN 2.279 nan 8.150 nan 0.000 0.436 245 S N 0.908 116.631 115.700 0.037 0.000 2.603 245 S HA 0.547 5.020 4.470 0.005 0.000 0.274 245 S C -1.611 173.008 174.600 0.031 0.000 1.168 245 S CA -0.467 57.740 58.200 0.011 0.000 0.963 245 S CB 1.013 64.206 63.200 -0.012 0.000 1.078 245 S HN 1.390 nan 8.310 nan 0.000 0.477 246 L N 3.471 124.723 121.223 0.049 0.000 2.287 246 L HA 0.676 5.019 4.340 0.005 0.000 0.287 246 L C -0.540 176.350 176.870 0.035 0.000 1.022 246 L CA 0.199 55.079 54.840 0.066 0.000 0.814 246 L CB 1.076 43.195 42.059 0.100 0.000 1.217 246 L HN 0.865 nan 8.230 nan 0.000 0.420 247 E N 2.487 122.615 120.200 -0.120 0.000 2.256 247 E HA 0.486 4.839 4.350 0.005 0.000 0.267 247 E C -0.383 175.829 176.600 -0.648 0.000 0.892 247 E CA -0.834 55.351 56.400 -0.359 0.000 0.775 247 E CB 1.536 31.096 29.700 -0.233 0.000 1.207 247 E HN 0.709 nan 8.360 nan 0.000 0.420 254 P HA 0.042 nan 4.420 nan 0.000 0.263 254 P C -2.218 175.042 177.300 -0.066 0.000 1.168 254 P CA -0.422 62.640 63.100 -0.063 0.000 0.759 254 P CB 0.142 31.801 31.700 -0.069 0.000 0.782 255 P HA -0.128 nan 4.420 nan 0.000 0.217 255 P C 1.026 178.279 177.300 -0.079 0.000 1.151 255 P CA 1.445 64.501 63.100 -0.073 0.000 0.828 255 P CB 0.078 31.729 31.700 -0.082 0.000 0.788 256 R N -0.853 119.571 120.500 -0.126 0.000 2.316 256 R HA 0.080 4.422 4.340 0.005 0.000 0.202 256 R C 2.005 178.269 176.300 -0.061 0.000 1.029 256 R CA 0.540 56.564 56.100 -0.127 0.000 1.018 256 R CB -1.644 28.523 30.300 -0.222 0.000 0.888 256 R HN 0.169 nan 8.270 nan 0.000 0.471 257 L N 0.705 121.897 121.223 -0.051 0.000 2.446 257 L HA 0.184 4.527 4.340 0.005 0.000 0.219 257 L C 0.490 177.360 176.870 -0.001 0.000 1.116 257 L CA 0.527 55.352 54.840 -0.026 0.000 0.844 257 L CB -0.020 42.015 42.059 -0.039 0.000 0.970 257 L HN 0.241 nan 8.230 nan 0.000 0.457 258 R N -1.729 118.774 120.500 0.004 0.000 2.919 258 R HA 0.638 4.981 4.340 0.005 0.000 0.260 258 R C 0.223 176.550 176.300 0.046 0.000 1.067 258 R CA -0.467 55.640 56.100 0.012 0.000 1.003 258 R CB 0.124 30.418 30.300 -0.010 0.000 1.192 258 R HN -0.054 nan 8.270 nan 0.000 0.488 259 G N 0.030 108.831 108.800 0.002 0.000 2.732 259 G HA2 0.249 4.212 3.960 0.005 0.000 0.244 259 G HA3 0.249 4.212 3.960 0.005 0.000 0.244 259 G C -0.871 174.072 174.900 0.071 0.000 1.226 259 G CA -0.141 44.942 45.100 -0.029 0.000 0.860 259 G HN 0.680 nan 8.290 nan 0.000 0.583 260 Y N -3.146 117.087 120.300 -0.112 0.000 2.689 260 Y HA 0.703 5.256 4.550 0.005 0.000 0.333 260 Y C 0.100 175.936 175.900 -0.107 0.000 1.190 260 Y CA -1.430 56.610 58.100 -0.100 0.000 1.063 260 Y CB 0.842 39.248 38.460 -0.089 0.000 1.294 260 Y HN 0.797 nan 8.280 nan 0.000 0.466 261 A N 2.220 125.103 122.820 0.104 0.000 2.505 261 A HA 0.402 4.725 4.320 0.005 0.000 0.271 261 A C -2.577 174.990 177.584 -0.028 0.000 1.112 261 A CA -1.230 50.806 52.037 -0.001 0.000 0.781 261 A CB -1.060 17.952 19.000 0.020 0.000 1.059 261 A HN 0.467 nan 8.150 nan 0.000 0.508 262 P HA 0.108 nan 4.420 nan 0.000 0.271 262 P C -0.281 176.967 177.300 -0.086 0.000 1.380 262 P CA -0.053 62.951 63.100 -0.160 0.000 0.992 262 P CB 0.359 31.936 31.700 -0.206 0.000 1.230 263 Q N 4.207 123.985 119.800 -0.037 0.000 2.304 263 Q HA 0.229 4.571 4.340 0.005 0.000 0.260 263 Q C -0.933 175.046 176.000 -0.035 0.000 0.965 263 Q CA -0.102 55.675 55.803 -0.043 0.000 0.898 263 Q CB 0.474 29.200 28.738 -0.021 0.000 1.196 263 Q HN 0.376 nan 8.270 nan 0.000 0.402 264 I N 4.032 124.580 120.570 -0.037 0.000 2.377 264 I HA 0.306 4.479 4.170 0.005 0.000 0.293 264 I C 0.065 176.225 176.117 0.072 0.000 0.987 264 I CA -0.644 60.675 61.300 0.032 0.000 1.185 264 I CB 1.921 39.939 38.000 0.030 0.000 1.341 264 I HN 0.761 nan 8.210 nan 0.000 0.455 265 T N 1.800 116.381 114.554 0.046 0.000 2.916 265 T HA 0.942 5.295 4.350 0.005 0.000 0.292 265 T C -0.256 174.263 174.700 -0.302 0.000 1.055 265 T CA -0.739 61.271 62.100 -0.149 0.000 1.009 265 T CB 2.490 71.230 68.868 -0.213 0.000 1.118 265 T HN 0.904 nan 8.240 nan 0.000 0.497 266 G N 0.218 108.471 108.800 -0.913 0.000 2.427 266 G HA2 0.554 4.517 3.960 0.005 0.000 0.306 266 G HA3 0.554 4.517 3.960 0.005 0.000 0.306 266 G C -2.091 172.152 174.900 -1.095 0.000 1.280 266 G CA -0.915 43.655 45.100 -0.882 0.000 0.837 266 G HN 0.918 nan 8.290 nan 0.000 0.482 267 I N 0.556 120.814 120.570 -0.520 0.000 2.582 267 I HA 0.627 4.800 4.170 0.005 0.000 0.292 267 I C 0.112 176.303 176.117 0.125 0.000 1.066 267 I CA -1.005 60.158 61.300 -0.228 0.000 1.053 267 I CB 2.274 40.203 38.000 -0.119 0.000 1.241 267 I HN 0.756 nan 8.210 nan 0.000 0.421 268 A N 4.469 127.423 122.820 0.223 0.000 2.304 268 A HA 0.486 4.809 4.320 0.005 0.000 0.323 268 A C 0.517 178.186 177.584 0.143 0.000 1.195 268 A CA -0.449 51.730 52.037 0.238 0.000 0.826 268 A CB 0.711 19.847 19.000 0.227 0.000 1.184 268 A HN 0.879 nan 8.150 nan 0.000 0.496 269 E N 0.696 120.977 120.200 0.135 0.000 2.152 269 E HA -0.027 4.326 4.350 0.005 0.000 0.192 269 E C 0.849 177.525 176.600 0.127 0.000 0.983 269 E CA 1.484 57.964 56.400 0.133 0.000 0.818 269 E CB 0.077 29.840 29.700 0.105 0.000 0.758 269 E HN 0.844 nan 8.360 nan 0.000 0.467 270 T N -1.711 112.904 114.554 0.101 0.000 2.831 270 T HA 0.287 4.640 4.350 0.005 0.000 0.287 270 T C -0.351 174.395 174.700 0.075 0.000 1.070 270 T CA -1.114 61.051 62.100 0.108 0.000 1.010 270 T CB 1.082 70.014 68.868 0.106 0.000 1.264 270 T HN -0.266 nan 8.240 nan 0.000 0.532 271 N N 1.462 120.220 118.700 0.096 0.000 2.406 271 N HA 0.514 5.257 4.740 0.005 0.000 0.274 271 N C -0.275 175.278 175.510 0.073 0.000 1.249 271 N CA 0.042 53.144 53.050 0.087 0.000 0.951 271 N CB 0.350 38.964 38.487 0.211 0.000 1.241 271 N HN 0.891 nan 8.380 nan 0.000 0.485 272 A N 2.441 125.272 122.820 0.017 0.000 2.346 272 A HA 0.653 4.976 4.320 0.005 0.000 0.313 272 A C 0.102 177.650 177.584 -0.060 0.000 1.140 272 A CA -0.822 51.202 52.037 -0.021 0.000 0.826 272 A CB 1.433 20.413 19.000 -0.034 0.000 1.332 272 A HN 0.606 nan 8.150 nan 0.000 0.457 273 R N 0.324 120.775 120.500 -0.081 0.000 2.312 273 R HA 0.582 4.925 4.340 0.005 0.000 0.311 273 R C -1.730 174.475 176.300 -0.158 0.000 1.004 273 R CA -0.204 55.830 56.100 -0.110 0.000 0.902 273 R CB 0.958 31.197 30.300 -0.103 0.000 1.073 273 R HN 0.432 nan 8.270 nan 0.000 0.457 274 V N 5.905 125.711 119.914 -0.180 0.000 2.376 274 V HA 0.264 4.387 4.120 0.005 0.000 0.287 274 V C -0.608 175.422 176.094 -0.106 0.000 1.015 274 V CA -0.820 61.352 62.300 -0.213 0.000 0.834 274 V CB 1.393 32.971 31.823 -0.408 0.000 1.001 274 V HN 0.593 nan 8.190 nan 0.000 0.428 275 V N 7.092 126.918 119.914 -0.145 0.000 2.370 275 V HA 0.639 4.762 4.120 0.005 0.000 0.283 275 V C -0.384 175.628 176.094 -0.137 0.000 1.023 275 V CA -0.143 62.079 62.300 -0.129 0.000 0.857 275 V CB 1.848 33.565 31.823 -0.175 0.000 0.985 275 V HN 0.606 nan 8.190 nan 0.000 0.443 276 V N 7.173 127.050 119.914 -0.062 0.000 2.370 276 V HA 0.673 4.796 4.120 0.005 0.000 0.279 276 V C 0.182 176.207 176.094 -0.115 0.000 1.029 276 V CA -0.061 62.174 62.300 -0.109 0.000 0.870 276 V CB 1.354 33.138 31.823 -0.065 0.000 0.984 276 V HN 1.080 nan 8.190 nan 0.000 0.451 277 S N 3.705 119.316 115.700 -0.148 0.000 2.536 277 S HA 0.746 5.219 4.470 0.005 0.000 0.287 277 S C -0.896 173.632 174.600 -0.121 0.000 1.101 277 S CA -0.908 57.211 58.200 -0.135 0.000 0.950 277 S CB 2.081 65.194 63.200 -0.144 0.000 1.056 277 S HN 0.732 nan 8.310 nan 0.000 0.481 278 Q N 1.540 121.277 119.800 -0.105 0.000 2.341 278 Q HA 0.520 4.863 4.340 0.005 0.000 0.268 278 Q C 0.257 176.215 176.000 -0.071 0.000 1.013 278 Q CA -0.229 55.522 55.803 -0.086 0.000 0.798 278 Q CB 0.952 29.639 28.738 -0.085 0.000 1.253 278 Q HN 0.855 nan 8.270 nan 0.000 0.457 279 Q N 1.731 121.501 119.800 -0.051 0.000 2.095 279 Q HA -0.354 3.989 4.340 0.005 0.000 0.396 279 Q C 0.816 176.777 176.000 -0.065 0.000 0.650 279 Q CA 2.087 57.866 55.803 -0.040 0.000 0.949 279 Q CB -1.601 27.123 28.738 -0.023 0.000 2.635 279 Q HN 0.889 nan 8.270 nan 0.000 0.845 280 G N 0.009 108.763 108.800 -0.077 0.000 2.595 280 G HA2 0.028 3.991 3.960 0.005 0.000 0.213 280 G HA3 0.028 3.991 3.960 0.005 0.000 0.213 280 G C 0.234 175.060 174.900 -0.123 0.000 1.141 280 G CA 0.315 45.355 45.100 -0.100 0.000 0.806 280 G HN 0.211 nan 8.290 nan 0.000 0.530 281 R N 0.765 121.196 120.500 -0.116 0.000 2.389 281 R HA 0.365 4.708 4.340 0.005 0.000 0.295 281 R C -0.631 175.580 176.300 -0.148 0.000 1.075 281 R CA -0.330 55.690 56.100 -0.133 0.000 1.005 281 R CB 0.877 31.110 30.300 -0.111 0.000 0.987 281 R HN -0.054 nan 8.270 nan 0.000 0.452 282 V N 7.587 127.390 119.914 -0.184 0.000 2.427 282 V HA 0.027 4.149 4.120 0.005 0.000 0.268 282 V C 1.121 177.117 176.094 -0.163 0.000 1.046 282 V CA 0.168 62.354 62.300 -0.190 0.000 0.970 282 V CB 1.111 32.784 31.823 -0.250 0.000 1.001 282 V HN 0.839 nan 8.190 nan 0.000 0.476 283 L N 4.770 125.923 121.223 -0.117 0.000 2.408 283 L HA 0.322 4.665 4.340 0.005 0.000 0.215 283 L C 0.072 176.945 176.870 0.005 0.000 1.081 283 L CA 0.492 55.288 54.840 -0.073 0.000 0.840 283 L CB 0.199 42.219 42.059 -0.065 0.000 1.002 283 L HN 0.618 nan 8.230 nan 0.000 0.468 284 Y N -0.229 119.970 120.300 -0.168 0.000 2.519 284 Y HA 0.433 4.985 4.550 0.005 0.000 0.336 284 Y C -1.853 173.941 175.900 -0.177 0.000 1.089 284 Y CA -1.447 56.557 58.100 -0.161 0.000 1.025 284 Y CB 1.800 40.173 38.460 -0.146 0.000 1.318 284 Y HN -0.130 nan 8.280 nan 0.000 0.452 285 D N 3.233 123.154 120.400 -0.798 0.000 2.474 285 D HA 0.404 5.047 4.640 0.005 0.000 0.234 285 D C -1.706 174.245 176.300 -0.581 0.000 1.323 285 D CA 0.100 53.768 54.000 -0.553 0.000 0.915 285 D CB 0.487 41.075 40.800 -0.353 0.000 1.487 285 D HN 0.626 nan 8.370 nan 0.000 0.524 289 P HA 0.354 nan 4.420 nan 0.000 0.280 289 P C -0.402 176.729 177.300 -0.281 0.000 1.244 289 P CA 0.009 62.653 63.100 -0.759 0.000 0.784 289 P CB 1.303 32.422 31.700 -0.969 0.000 0.913 290 A N 2.891 125.616 122.820 -0.158 0.000 2.561 290 A HA 0.444 4.766 4.320 0.005 0.000 0.234 290 A C 1.008 178.531 177.584 -0.103 0.000 1.055 290 A CA 1.306 53.319 52.037 -0.041 0.000 0.756 290 A CB -1.284 17.740 19.000 0.041 0.000 0.986 290 A HN 0.963 nan 8.150 nan 0.000 0.505 291 G N 1.627 110.332 108.800 -0.158 0.000 2.331 291 G HA2 0.168 4.130 3.960 0.005 0.000 0.479 291 G HA3 0.168 4.130 3.960 0.005 0.000 0.479 291 G C -3.365 171.262 174.900 -0.454 0.000 1.262 291 G CA -0.351 44.368 45.100 -0.633 0.000 1.029 291 G HN 0.876 nan 8.290 nan 0.000 0.487 292 P HA 0.499 nan 4.420 nan 0.000 0.276 292 P C -0.609 176.569 177.300 -0.203 0.000 1.243 292 P CA 0.048 62.915 63.100 -0.388 0.000 0.768 292 P CB 0.357 31.834 31.700 -0.373 0.000 0.856 293 F N 0.066 119.922 119.950 -0.156 0.000 2.572 293 F HA 0.803 5.333 4.527 0.004 0.000 0.342 293 F C 0.056 175.790 175.800 -0.109 0.000 1.064 293 F CA -1.526 56.400 58.000 -0.124 0.000 1.008 293 F CB 1.263 40.208 39.000 -0.092 0.000 1.303 293 F HN 0.256 nan 8.300 nan 0.000 0.492 294 S N 1.701 117.515 115.700 0.191 0.000 2.479 294 S HA 0.417 4.890 4.470 0.005 0.000 0.169 294 S C -1.098 173.502 174.600 0.002 0.000 1.181 294 S CA -0.583 57.648 58.200 0.052 0.000 1.169 294 S CB -0.583 62.588 63.200 -0.048 0.000 1.384 294 S HN 0.660 nan 8.310 nan 0.000 0.412 295 I N 3.937 124.486 120.570 -0.035 0.000 2.598 295 I HA 0.159 4.332 4.170 0.005 0.000 0.284 295 I C 1.359 177.337 176.117 -0.231 0.000 1.140 295 I CA 0.226 61.338 61.300 -0.314 0.000 1.420 295 I CB 0.722 38.304 38.000 -0.697 0.000 1.387 295 I HN 0.619 nan 8.210 nan 0.000 0.553 296 Q N 3.169 122.850 119.800 -0.199 0.000 2.214 296 Q HA 0.050 4.392 4.340 0.005 0.000 0.229 296 Q C 0.347 176.287 176.000 -0.099 0.000 0.835 296 Q CA 0.096 55.831 55.803 -0.113 0.000 0.953 296 Q CB 0.693 29.390 28.738 -0.069 0.000 1.131 296 Q HN 0.656 nan 8.270 nan 0.000 0.501 297 D N 0.701 121.027 120.400 -0.124 0.000 2.355 297 D HA 0.060 4.703 4.640 0.005 0.000 0.218 297 D C 0.522 176.804 176.300 -0.031 0.000 1.004 297 D CA 0.300 54.277 54.000 -0.037 0.000 0.880 297 D CB 0.325 41.163 40.800 0.064 0.000 0.911 297 D HN 0.178 nan 8.370 nan 0.000 0.528 298 L N 1.160 122.345 121.223 -0.063 0.000 2.456 298 L HA 0.055 4.398 4.340 0.005 0.000 0.272 298 L C 0.437 177.273 176.870 -0.057 0.000 1.189 298 L CA -0.380 54.426 54.840 -0.057 0.000 0.846 298 L CB 0.254 42.260 42.059 -0.089 0.000 1.111 298 L HN -0.194 nan 8.230 nan 0.000 0.475 299 D N 0.856 121.222 120.400 -0.058 0.000 2.752 299 D HA -0.093 4.550 4.640 0.005 0.000 0.225 299 D C 1.212 177.468 176.300 -0.073 0.000 1.104 299 D CA 0.547 54.508 54.000 -0.064 0.000 0.832 299 D CB 0.710 41.466 40.800 -0.073 0.000 1.161 299 D HN 0.618 nan 8.370 nan 0.000 0.505 300 S N 0.729 116.392 115.700 -0.063 0.000 2.440 300 S HA -0.216 4.257 4.470 0.005 0.000 0.238 300 S C 1.539 176.088 174.600 -0.085 0.000 1.010 300 S CA 0.969 59.134 58.200 -0.059 0.000 0.972 300 S CB -0.124 63.051 63.200 -0.041 0.000 0.774 300 S HN 0.473 nan 8.310 nan 0.000 0.501 301 S N 0.040 115.682 115.700 -0.097 0.000 2.572 301 S HA 0.360 4.833 4.470 0.005 0.000 0.228 301 S C 0.201 174.721 174.600 -0.132 0.000 0.963 301 S CA -0.610 57.521 58.200 -0.116 0.000 0.939 301 S CB -0.216 62.914 63.200 -0.116 0.000 0.804 301 S HN 0.211 nan 8.310 nan 0.000 0.480 302 V N 2.533 122.367 119.914 -0.134 0.000 2.521 302 V HA 0.398 4.521 4.120 0.005 0.000 0.286 302 V C 0.428 176.419 176.094 -0.172 0.000 1.034 302 V CA 0.088 62.303 62.300 -0.141 0.000 1.045 302 V CB 0.454 32.198 31.823 -0.132 0.000 0.974 302 V HN 0.412 nan 8.190 nan 0.000 0.480 303 R N 2.548 122.953 120.500 -0.157 0.000 2.892 303 R HA 0.786 5.129 4.340 0.005 0.000 0.265 303 R C 0.403 176.622 176.300 -0.136 0.000 1.025 303 R CA 0.684 56.683 56.100 -0.168 0.000 0.982 303 R CB 1.728 31.934 30.300 -0.157 0.000 1.185 303 R HN 1.019 nan 8.270 nan 0.000 0.484 304 G N 1.457 110.179 108.800 -0.131 0.000 2.553 304 G HA2 -0.285 3.678 3.960 0.005 0.000 0.242 304 G HA3 -0.285 3.678 3.960 0.005 0.000 0.242 304 G C -1.070 173.781 174.900 -0.082 0.000 1.277 304 G CA 0.015 45.065 45.100 -0.084 0.000 0.910 304 G HN 0.643 nan 8.290 nan 0.000 0.576 305 R N -0.113 120.359 120.500 -0.046 0.000 2.312 305 R HA 0.640 4.982 4.340 0.005 0.000 0.311 305 R C 0.021 176.289 176.300 -0.054 0.000 1.004 305 R CA -0.659 55.419 56.100 -0.037 0.000 0.902 305 R CB 0.249 30.549 30.300 0.001 0.000 1.073 305 R HN 0.504 nan 8.270 nan 0.000 0.457 306 L N 3.302 124.482 121.223 -0.071 0.000 2.331 306 L HA 0.443 4.786 4.340 0.005 0.000 0.275 306 L C -0.536 176.252 176.870 -0.138 0.000 1.022 306 L CA -1.071 53.706 54.840 -0.104 0.000 0.812 306 L CB 1.945 43.932 42.059 -0.119 0.000 1.257 306 L HN 0.519 nan 8.230 nan 0.000 0.435 307 D N 2.308 122.605 120.400 -0.171 0.000 2.280 307 D HA 0.422 5.065 4.640 0.005 0.000 0.236 307 D C -0.519 175.563 176.300 -0.362 0.000 1.082 307 D CA -0.169 53.686 54.000 -0.241 0.000 0.834 307 D CB 2.832 43.529 40.800 -0.171 0.000 1.100 307 D HN 0.044 nan 8.370 nan 0.000 0.486 308 V N 1.859 121.400 119.914 -0.621 0.000 2.667 308 V HA 0.395 4.518 4.120 0.005 0.000 0.308 308 V C 0.082 175.744 176.094 -0.721 0.000 1.048 308 V CA -0.678 61.166 62.300 -0.759 0.000 0.928 308 V CB 2.366 33.444 31.823 -1.242 0.000 1.004 308 V HN 0.468 nan 8.190 nan 0.000 0.444 309 E N 1.946 121.866 120.200 -0.468 0.000 2.274 309 E HA 0.511 4.863 4.350 0.005 0.000 0.269 309 E C -1.877 174.593 176.600 -0.218 0.000 0.891 309 E CA -0.436 55.772 56.400 -0.320 0.000 0.784 309 E CB 2.300 31.858 29.700 -0.238 0.000 1.225 309 E HN 0.468 nan 8.360 nan 0.000 0.412 310 V N 5.976 125.814 119.914 -0.127 0.000 2.294 310 V HA 0.300 4.422 4.120 0.005 0.000 0.272 310 V C -0.281 175.782 176.094 -0.052 0.000 1.027 310 V CA -0.573 61.692 62.300 -0.057 0.000 0.823 310 V CB 0.484 32.371 31.823 0.106 0.000 1.030 310 V HN 0.547 nan 8.190 nan 0.000 0.457 311 I N 4.788 125.309 120.570 -0.082 0.000 2.276 311 I HA 0.267 4.439 4.170 0.005 0.000 0.290 311 I C 0.814 176.891 176.117 -0.066 0.000 1.109 311 I CA 0.061 61.318 61.300 -0.072 0.000 1.229 311 I CB 0.288 38.238 38.000 -0.084 0.000 1.452 311 I HN 0.524 nan 8.210 nan 0.000 0.497 312 E N 4.990 125.157 120.200 -0.055 0.000 2.390 312 E HA 0.064 4.416 4.350 0.005 0.000 0.261 312 E C 0.564 177.086 176.600 -0.130 0.000 1.076 312 E CA -0.192 56.171 56.400 -0.062 0.000 0.905 312 E CB 0.752 30.430 29.700 -0.038 0.000 0.984 312 E HN 0.517 nan 8.360 nan 0.000 0.427 313 Q N 1.175 120.877 119.800 -0.164 0.000 2.181 313 Q HA -0.187 4.156 4.340 0.005 0.000 0.205 313 Q C 1.575 177.198 176.000 -0.628 0.000 0.980 313 Q CA 1.398 57.023 55.803 -0.295 0.000 0.862 313 Q CB -0.096 28.531 28.738 -0.185 0.000 0.905 313 Q HN 0.516 nan 8.270 nan 0.000 0.429 314 N N -0.959 117.318 118.700 -0.706 0.000 2.521 314 N HA -0.052 4.691 4.740 0.005 0.000 0.188 314 N C 1.107 176.452 175.510 -0.276 0.000 1.146 314 N CA 1.191 53.831 53.050 -0.682 0.000 0.893 314 N CB 0.833 39.094 38.487 -0.376 0.000 0.975 314 N HN 0.311 nan 8.380 nan 0.000 0.451 315 G N 0.633 109.311 108.800 -0.203 0.000 2.307 315 G HA2 -0.245 3.718 3.960 0.005 0.000 0.210 315 G HA3 -0.245 3.718 3.960 0.005 0.000 0.210 315 G C 0.095 174.949 174.900 -0.076 0.000 1.005 315 G CA -0.333 44.700 45.100 -0.113 0.000 0.634 315 G HN 0.393 nan 8.290 nan 0.000 0.496 316 R N 1.455 121.915 120.500 -0.068 0.000 2.522 316 R HA 0.388 4.730 4.340 0.005 0.000 0.284 316 R C 0.003 176.288 176.300 -0.024 0.000 1.032 316 R CA 0.517 56.598 56.100 -0.031 0.000 1.049 316 R CB 0.291 30.584 30.300 -0.012 0.000 0.956 316 R HN 0.186 nan 8.270 nan 0.000 0.422 317 K N 4.269 124.661 120.400 -0.013 0.000 2.414 317 K HA 0.169 4.492 4.320 0.005 0.000 0.251 317 K C -0.579 176.025 176.600 0.007 0.000 1.037 317 K CA -0.485 55.792 56.287 -0.016 0.000 0.980 317 K CB 1.504 33.986 32.500 -0.031 0.000 1.280 317 K HN 0.286 nan 8.250 nan 0.000 0.451 318 K N 1.436 121.857 120.400 0.034 0.000 2.326 318 K HA 0.113 4.436 4.320 0.005 0.000 0.275 318 K C 0.209 176.820 176.600 0.018 0.000 1.018 318 K CA 0.207 56.543 56.287 0.082 0.000 0.962 318 K CB 1.004 33.603 32.500 0.166 0.000 0.953 318 K HN 0.347 nan 8.250 nan 0.000 0.475 319 T N 3.724 118.259 114.554 -0.032 0.000 3.109 319 T HA 0.555 4.908 4.350 0.005 0.000 0.311 319 T C -1.247 173.176 174.700 -0.461 0.000 1.011 319 T CA -0.835 61.094 62.100 -0.285 0.000 1.026 319 T CB 0.205 68.886 68.868 -0.313 0.000 1.047 319 T HN 0.472 nan 8.240 nan 0.000 0.448 320 F N 1.664 121.276 119.950 -0.564 0.000 2.706 320 F HA 0.834 5.363 4.527 0.004 0.000 0.328 320 F C -0.721 174.774 175.800 -0.509 0.000 1.123 320 F CA -1.273 56.353 58.000 -0.622 0.000 0.978 320 F CB 1.329 39.920 39.000 -0.682 0.000 1.404 320 F HN 0.452 nan 8.300 nan 0.000 0.497 321 Q N 0.880 120.634 119.800 -0.077 0.000 2.377 321 Q HA 0.770 5.113 4.340 0.005 0.000 0.271 321 Q C -1.719 174.315 176.000 0.057 0.000 1.077 321 Q CA -1.280 54.501 55.803 -0.036 0.000 0.820 321 Q CB 3.240 32.035 28.738 0.095 0.000 1.347 321 Q HN 0.622 nan 8.270 nan 0.000 0.444 322 V N 1.349 121.277 119.914 0.023 0.000 2.733 322 V HA 0.242 4.365 4.120 0.005 0.000 0.306 322 V C -1.030 175.074 176.094 0.017 0.000 1.084 322 V CA -0.815 61.526 62.300 0.067 0.000 0.905 322 V CB 2.174 34.046 31.823 0.081 0.000 1.010 322 V HN 0.746 nan 8.190 nan 0.000 0.424 323 D N 2.794 123.209 120.400 0.024 0.000 2.198 323 D HA 0.430 5.073 4.640 0.005 0.000 0.245 323 D C -0.123 176.146 176.300 -0.052 0.000 1.079 323 D CA -0.005 53.991 54.000 -0.007 0.000 0.854 323 D CB 2.115 42.928 40.800 0.022 0.000 1.148 323 D HN 0.725 nan 8.370 nan 0.000 0.456 324 T N -0.265 114.212 114.554 -0.129 0.000 2.875 324 T HA 0.570 4.923 4.350 0.005 0.000 0.284 324 T C 0.342 174.768 174.700 -0.458 0.000 0.995 324 T CA -0.943 61.006 62.100 -0.252 0.000 1.060 324 T CB 1.547 70.258 68.868 -0.261 0.000 0.967 324 T HN 0.381 nan 8.240 nan 0.000 0.476 325 A N 3.245 125.610 122.820 -0.758 0.000 2.581 325 A HA 0.336 4.659 4.320 0.005 0.000 0.257 325 A C 1.006 177.994 177.584 -0.993 0.000 1.022 325 A CA 0.190 51.315 52.037 -1.521 0.000 0.812 325 A CB -0.865 17.365 19.000 -1.283 0.000 0.918 325 A HN 1.429 nan 8.150 nan 0.000 0.516 326 S N 2.921 118.178 115.700 -0.738 0.000 2.790 326 S HA 0.416 4.889 4.470 0.005 0.000 0.202 326 S C -0.138 174.464 174.600 0.003 0.000 1.383 326 S CA -0.717 57.348 58.200 -0.226 0.000 1.026 326 S CB 0.160 63.335 63.200 -0.043 0.000 1.253 326 S HN 0.640 nan 8.310 nan 0.000 0.489 327 V N 3.578 123.461 119.914 -0.051 0.000 2.644 327 V HA 0.070 4.192 4.120 0.005 0.000 0.305 327 V C -1.790 174.354 176.094 0.083 0.000 1.053 327 V CA -0.862 61.500 62.300 0.103 0.000 1.186 327 V CB -0.549 31.323 31.823 0.081 0.000 0.895 327 V HN 0.574 nan 8.190 nan 0.000 0.490 328 P HA -0.124 nan 4.420 nan 0.000 0.263 328 P C -0.312 177.018 177.300 0.050 0.000 1.168 328 P CA 0.528 63.689 63.100 0.101 0.000 0.759 328 P CB 0.080 31.861 31.700 0.135 0.000 0.782 329 Y N 4.170 124.299 120.300 -0.285 0.000 2.930 329 Y HA 0.156 4.709 4.550 0.005 0.000 0.386 329 Y C 0.190 175.947 175.900 -0.239 0.000 1.185 329 Y CA -0.760 57.099 58.100 -0.402 0.000 1.922 329 Y CB -0.358 37.601 38.460 -0.835 0.000 2.006 329 Y HN 0.172 nan 8.280 nan 0.000 0.431 330 L N 1.060 122.235 121.223 -0.079 0.000 2.454 330 L HA 0.486 4.829 4.340 0.005 0.000 0.256 330 L C 0.412 177.190 176.870 -0.152 0.000 1.136 330 L CA -0.435 54.353 54.840 -0.087 0.000 0.804 330 L CB 1.491 43.538 42.059 -0.021 0.000 1.181 330 L HN 0.217 nan 8.230 nan 0.000 0.469 331 T N -0.139 114.353 114.554 -0.104 0.000 2.821 331 T HA 0.386 4.739 4.350 0.005 0.000 0.306 331 T C -0.836 173.846 174.700 -0.031 0.000 1.313 331 T CA -0.782 61.258 62.100 -0.100 0.000 1.012 331 T CB 1.665 70.439 68.868 -0.158 0.000 1.298 331 T HN 0.557 nan 8.240 nan 0.000 0.502 332 R N 2.570 123.056 120.500 -0.023 0.000 2.410 332 R HA 0.343 4.686 4.340 0.005 0.000 0.288 332 R C -1.619 174.697 176.300 0.027 0.000 1.051 332 R CA -1.895 54.210 56.100 0.008 0.000 1.021 332 R CB 1.059 31.361 30.300 0.003 0.000 1.032 332 R HN 0.480 nan 8.270 nan 0.000 0.481 333 P HA -0.308 nan 4.420 nan 0.000 0.224 333 P C 1.050 178.387 177.300 0.060 0.000 1.153 333 P CA 1.999 65.137 63.100 0.063 0.000 0.947 333 P CB 0.123 31.861 31.700 0.063 0.000 0.790 334 G N -0.905 107.924 108.800 0.047 0.000 2.424 334 G HA2 -0.150 3.813 3.960 0.005 0.000 0.214 334 G HA3 -0.150 3.813 3.960 0.005 0.000 0.214 334 G C 0.570 175.498 174.900 0.047 0.000 1.202 334 G CA 0.229 45.357 45.100 0.048 0.000 0.793 334 G HN 0.284 nan 8.290 nan 0.000 0.534 335 Q N 0.007 119.824 119.800 0.028 0.000 2.428 335 Q HA 0.337 4.680 4.340 0.005 0.000 0.276 335 Q C -0.917 175.084 176.000 0.001 0.000 1.059 335 Q CA 0.320 56.130 55.803 0.013 0.000 0.923 335 Q CB 1.932 30.664 28.738 -0.010 0.000 1.283 335 Q HN 0.111 nan 8.270 nan 0.000 0.447 336 V N 2.694 122.604 119.914 -0.007 0.000 2.569 336 V HA 0.333 4.455 4.120 0.005 0.000 0.301 336 V C -0.355 175.702 176.094 -0.062 0.000 1.044 336 V CA -0.769 61.506 62.300 -0.041 0.000 0.874 336 V CB 1.921 33.757 31.823 0.021 0.000 1.002 336 V HN 0.665 nan 8.190 nan 0.000 0.424 337 R N 3.922 124.304 120.500 -0.198 0.000 2.486 337 R HA 0.798 5.140 4.340 0.005 0.000 0.286 337 R C -1.125 175.111 176.300 -0.106 0.000 0.999 337 R CA -0.569 55.401 56.100 -0.217 0.000 0.993 337 R CB 1.498 31.571 30.300 -0.377 0.000 1.084 337 R HN 0.801 nan 8.270 nan 0.000 0.487 338 Y N -2.097 118.141 120.300 -0.102 0.000 2.677 338 Y HA 0.548 5.101 4.550 0.005 0.000 0.334 338 Y C -1.742 174.143 175.900 -0.025 0.000 1.196 338 Y CA -1.370 56.689 58.100 -0.068 0.000 1.059 338 Y CB 1.690 40.078 38.460 -0.121 0.000 1.315 338 Y HN 0.376 nan 8.280 nan 0.000 0.455 339 K N 2.132 122.618 120.400 0.144 0.000 2.553 339 K HA 0.597 4.920 4.320 0.005 0.000 0.250 339 K C -2.378 174.305 176.600 0.139 0.000 0.953 339 K CA -0.789 55.522 56.287 0.040 0.000 0.800 339 K CB 2.509 34.986 32.500 -0.038 0.000 1.243 339 K HN 0.678 nan 8.250 nan 0.000 0.435 340 L N 4.372 125.673 121.223 0.130 0.000 2.372 340 L HA 0.474 4.817 4.340 0.005 0.000 0.273 340 L C -1.341 175.542 176.870 0.022 0.000 0.989 340 L CA -0.589 54.308 54.840 0.095 0.000 0.841 340 L CB 1.643 43.768 42.059 0.110 0.000 1.225 340 L HN 0.355 nan 8.230 nan 0.000 0.414 341 V N 2.717 122.625 119.914 -0.010 0.000 3.019 341 V HA 0.940 5.062 4.120 0.005 0.000 0.317 341 V C -0.270 175.725 176.094 -0.165 0.000 1.094 341 V CA -0.543 61.694 62.300 -0.105 0.000 1.000 341 V CB 2.004 33.712 31.823 -0.191 0.000 1.060 341 V HN 0.802 nan 8.190 nan 0.000 0.443 342 S N 0.583 116.070 115.700 -0.356 0.000 2.556 342 S HA 0.843 5.316 4.470 0.005 0.000 0.280 342 S C -0.513 173.718 174.600 -0.615 0.000 1.141 342 S CA 0.578 58.462 58.200 -0.526 0.000 0.883 342 S CB 1.492 64.540 63.200 -0.254 0.000 1.103 342 S HN 2.178 nan 8.310 nan 0.000 0.453 343 G N 3.268 111.540 108.800 -0.880 0.000 2.470 343 G HA2 0.342 4.305 3.960 0.005 0.000 0.145 343 G HA3 0.342 4.305 3.960 0.005 0.000 0.145 343 G C -1.948 172.709 174.900 -0.406 0.000 1.223 343 G CA -0.520 44.304 45.100 -0.459 0.000 1.058 343 G HN 0.993 nan 8.290 nan 0.000 0.469 344 R N -0.321 120.205 120.500 0.042 0.000 2.725 344 R HA 0.730 5.073 4.340 0.005 0.000 0.277 344 R C -0.806 175.802 176.300 0.513 0.000 0.987 344 R CA -0.731 55.539 56.100 0.283 0.000 0.901 344 R CB 1.980 32.374 30.300 0.157 0.000 1.207 344 R HN 0.457 nan 8.270 nan 0.000 0.463 345 S N 0.763 116.781 115.700 0.530 0.000 2.592 345 S HA 0.230 4.703 4.470 0.005 0.000 0.271 345 S C 0.657 175.411 174.600 0.256 0.000 1.326 345 S CA -0.614 57.863 58.200 0.463 0.000 1.024 345 S CB 1.472 64.882 63.200 0.350 0.000 0.921 345 S HN 0.631 nan 8.310 nan 0.000 0.527 346 R N 0.638 121.246 120.500 0.181 0.000 2.469 346 R HA 0.190 4.533 4.340 0.005 0.000 0.250 346 R C 1.541 177.721 176.300 -0.200 0.000 0.909 346 R CA 0.123 56.233 56.100 0.017 0.000 1.050 346 R CB 0.060 30.373 30.300 0.022 0.000 1.256 346 R HN 0.762 nan 8.270 nan 0.000 0.550 347 G N -0.398 108.055 108.800 -0.580 0.000 3.189 347 G HA2 0.076 4.039 3.960 0.005 0.000 0.225 347 G HA3 0.076 4.039 3.960 0.005 0.000 0.225 347 G C -0.615 173.506 174.900 -1.298 0.000 1.159 347 G CA 0.172 44.490 45.100 -1.304 0.000 0.763 347 G HN 0.177 nan 8.290 nan 0.000 0.549 348 Y N -0.948 119.274 120.300 -0.130 0.000 2.265 348 Y HA 0.543 5.096 4.550 0.005 0.000 0.325 348 Y C 0.372 176.184 175.900 -0.148 0.000 1.190 348 Y CA -1.198 56.807 58.100 -0.159 0.000 1.224 348 Y CB 0.940 39.228 38.460 -0.287 0.000 1.200 348 Y HN 0.156 nan 8.280 nan 0.000 0.421 355 P HA 0.303 nan 4.420 nan 0.000 0.269 355 P C 0.433 177.864 177.300 0.219 0.000 1.209 355 P CA -0.044 63.171 63.100 0.192 0.000 0.776 355 P CB 1.513 33.370 31.700 0.261 0.000 0.876 356 V N 3.712 123.723 119.914 0.161 0.000 2.881 356 V HA 0.424 4.547 4.120 0.005 0.000 0.303 356 V C 0.479 176.687 176.094 0.191 0.000 1.070 356 V CA 0.236 62.600 62.300 0.106 0.000 1.074 356 V CB -0.251 31.591 31.823 0.033 0.000 1.012 356 V HN 0.706 nan 8.190 nan 0.000 0.482 357 F N 0.518 120.505 119.950 0.061 0.000 2.745 357 F HA 0.951 5.481 4.527 0.005 0.000 0.316 357 F C -0.633 175.185 175.800 0.030 0.000 1.155 357 F CA -1.152 56.876 58.000 0.047 0.000 0.937 357 F CB 1.479 40.529 39.000 0.083 0.000 1.361 357 F HN 0.747 nan 8.300 nan 0.000 0.472 358 A N 1.037 124.035 122.820 0.297 0.000 2.488 358 A HA 0.684 5.007 4.320 0.005 0.000 0.295 358 A C -1.381 176.373 177.584 0.283 0.000 1.045 358 A CA -0.314 51.803 52.037 0.134 0.000 0.703 358 A CB 1.438 20.450 19.000 0.021 0.000 1.271 358 A HN 1.218 nan 8.150 nan 0.000 0.400 359 T N 0.770 115.476 114.554 0.254 0.000 2.921 359 T HA 0.726 5.078 4.350 0.005 0.000 0.297 359 T C -0.152 174.625 174.700 0.128 0.000 1.013 359 T CA 0.304 62.511 62.100 0.180 0.000 0.990 359 T CB 1.280 70.277 68.868 0.215 0.000 1.023 359 T HN 1.752 nan 8.240 nan 0.000 0.447 360 G N 2.373 111.257 108.800 0.140 0.000 2.563 360 G HA2 0.715 4.678 3.960 0.005 0.000 0.302 360 G HA3 0.715 4.678 3.960 0.005 0.000 0.302 360 G C -1.564 173.461 174.900 0.209 0.000 1.301 360 G CA -0.659 44.530 45.100 0.149 0.000 0.965 360 G HN 0.821 nan 8.290 nan 0.000 0.480 361 E N -0.196 120.118 120.200 0.189 0.000 2.363 361 E HA 0.640 4.993 4.350 0.005 0.000 0.281 361 E C -1.458 175.236 176.600 0.158 0.000 0.953 361 E CA -0.940 55.581 56.400 0.201 0.000 0.778 361 E CB 1.991 31.811 29.700 0.200 0.000 1.220 361 E HN 1.181 nan 8.360 nan 0.000 0.431 362 A N 1.951 124.807 122.820 0.060 0.000 2.610 362 A HA 0.712 5.035 4.320 0.005 0.000 0.291 362 A C -1.484 175.759 177.584 -0.568 0.000 1.086 362 A CA -0.366 51.554 52.037 -0.195 0.000 0.677 362 A CB 2.182 20.977 19.000 -0.342 0.000 1.278 362 A HN 0.387 nan 8.150 nan 0.000 0.414 363 S N 0.755 115.992 115.700 -0.771 0.000 2.647 363 S HA 0.625 5.097 4.470 0.005 0.000 0.300 363 S C -1.386 172.863 174.600 -0.585 0.000 1.129 363 S CA -0.388 57.374 58.200 -0.731 0.000 1.029 363 S CB 0.342 62.972 63.200 -0.950 0.000 1.007 363 S HN 0.521 nan 8.310 nan 0.000 0.484 364 W N 2.902 124.190 121.300 -0.020 0.000 2.365 364 W HA 0.458 5.121 4.660 0.005 0.000 0.316 364 W C 0.695 177.206 176.519 -0.013 0.000 1.164 364 W CA -1.185 56.154 57.345 -0.009 0.000 1.204 364 W CB 1.158 30.623 29.460 0.008 0.000 1.213 364 W HN 0.856 nan 8.180 nan 0.000 0.539 365 G N 4.064 112.974 108.800 0.184 0.000 2.571 365 G HA2 0.476 4.439 3.960 0.005 0.000 0.327 365 G HA3 0.476 4.439 3.960 0.005 0.000 0.327 365 G C -0.325 174.658 174.900 0.139 0.000 1.008 365 G CA -0.572 44.601 45.100 0.122 0.000 1.136 365 G HN 0.383 nan 8.290 nan 0.000 0.444 366 L N 1.676 122.989 121.223 0.149 0.000 2.472 366 L HA 0.105 4.448 4.340 0.005 0.000 0.260 366 L C 2.283 179.228 176.870 0.125 0.000 1.209 366 L CA -0.232 54.682 54.840 0.124 0.000 0.817 366 L CB 1.234 43.366 42.059 0.121 0.000 1.106 366 L HN 0.632 nan 8.230 nan 0.000 0.479 367 S N 0.414 116.167 115.700 0.088 0.000 2.484 367 S HA -0.121 4.352 4.470 0.005 0.000 0.250 367 S C 0.724 175.406 174.600 0.136 0.000 0.995 367 S CA 1.089 59.341 58.200 0.086 0.000 0.967 367 S CB -0.331 62.895 63.200 0.043 0.000 0.752 367 S HN 0.717 nan 8.310 nan 0.000 0.517 368 N N 0.167 119.004 118.700 0.229 0.000 3.184 368 N HA 0.375 5.118 4.740 0.005 0.000 0.353 368 N C 0.388 176.105 175.510 0.344 0.000 1.441 368 N CA -0.648 52.616 53.050 0.357 0.000 0.723 368 N CB 0.192 39.083 38.487 0.673 0.000 1.547 368 N HN 0.125 nan 8.380 nan 0.000 0.624 369 Q N -0.611 119.390 119.800 0.334 0.000 2.515 369 Q HA 0.081 4.424 4.340 0.005 0.000 0.212 369 Q C -0.181 175.888 176.000 0.114 0.000 0.970 369 Q CA 0.559 56.447 55.803 0.142 0.000 0.941 369 Q CB 0.264 29.020 28.738 0.029 0.000 0.998 369 Q HN 0.382 nan 8.270 nan 0.000 0.518 370 W N 0.941 122.299 121.300 0.096 0.000 2.161 370 W HA 0.221 4.884 4.660 0.005 0.000 0.344 370 W C 0.285 176.778 176.519 -0.044 0.000 1.262 370 W CA 0.020 57.373 57.345 0.013 0.000 1.270 370 W CB 1.118 30.618 29.460 0.066 0.000 1.126 370 W HN -0.100 nan 8.180 nan 0.000 0.598 371 S N 1.433 117.180 115.700 0.079 0.000 2.563 371 S HA 0.532 5.005 4.470 0.005 0.000 0.279 371 S C -1.366 173.256 174.600 0.038 0.000 1.155 371 S CA -0.964 57.282 58.200 0.076 0.000 0.928 371 S CB 1.244 64.466 63.200 0.036 0.000 1.107 371 S HN 0.385 nan 8.310 nan 0.000 0.462 372 L N 3.713 125.032 121.223 0.159 0.000 2.317 372 L HA 0.803 5.146 4.340 0.005 0.000 0.281 372 L C -0.985 176.143 176.870 0.429 0.000 1.024 372 L CA -0.730 54.215 54.840 0.176 0.000 0.810 372 L CB 1.282 43.453 42.059 0.187 0.000 1.240 372 L HN 0.929 nan 8.230 nan 0.000 0.427 373 Y N 1.956 122.415 120.300 0.265 0.000 2.677 373 Y HA 0.991 5.543 4.550 0.005 0.000 0.334 373 Y C -0.173 175.872 175.900 0.243 0.000 1.154 373 Y CA -0.693 57.475 58.100 0.113 0.000 1.070 373 Y CB 1.770 40.219 38.460 -0.018 0.000 1.294 373 Y HN 0.617 nan 8.280 nan 0.000 0.475 374 G N -1.178 107.874 108.800 0.420 0.000 2.342 374 G HA2 0.575 4.538 3.960 0.005 0.000 0.297 374 G HA3 0.575 4.538 3.960 0.005 0.000 0.297 374 G C -1.075 173.996 174.900 0.285 0.000 1.313 374 G CA -0.177 45.137 45.100 0.357 0.000 0.830 374 G HN 1.703 nan 8.290 nan 0.000 0.506 375 G N -1.933 107.043 108.800 0.293 0.000 2.349 375 G HA2 0.877 4.839 3.960 0.005 0.000 0.294 375 G HA3 0.877 4.839 3.960 0.005 0.000 0.294 375 G C -1.063 174.127 174.900 0.484 0.000 1.380 375 G CA 0.686 46.008 45.100 0.370 0.000 0.811 375 G HN 2.193 nan 8.290 nan 0.000 0.519 376 A N -1.231 121.850 122.820 0.436 0.000 2.594 376 A HA 0.898 5.221 4.320 0.005 0.000 0.291 376 A C -1.401 176.169 177.584 -0.023 0.000 1.105 376 A CA -0.619 51.577 52.037 0.265 0.000 0.694 376 A CB 1.966 21.057 19.000 0.153 0.000 1.291 376 A HN 1.718 nan 8.150 nan 0.000 0.410 377 V N 1.147 120.922 119.914 -0.232 0.000 2.483 377 V HA 0.467 4.589 4.120 0.005 0.000 0.297 377 V C -0.859 175.139 176.094 -0.160 0.000 1.027 377 V CA -0.171 61.961 62.300 -0.279 0.000 0.855 377 V CB 1.243 32.747 31.823 -0.531 0.000 0.995 377 V HN 0.670 nan 8.190 nan 0.000 0.424 378 L N 4.355 125.564 121.223 -0.024 0.000 2.324 378 L HA 0.723 5.066 4.340 0.005 0.000 0.274 378 L C 0.561 177.463 176.870 0.054 0.000 1.012 378 L CA -0.296 54.532 54.840 -0.020 0.000 0.859 378 L CB 1.509 43.577 42.059 0.014 0.000 1.224 378 L HN 0.738 nan 8.230 nan 0.000 0.429 379 A N 2.189 125.005 122.820 -0.006 0.000 2.676 379 A HA 0.660 4.982 4.320 0.005 0.000 0.297 379 A C 1.068 178.661 177.584 0.015 0.000 1.132 379 A CA 0.180 52.256 52.037 0.066 0.000 0.972 379 A CB 0.100 19.120 19.000 0.033 0.000 1.197 379 A HN 0.925 nan 8.150 nan 0.000 0.524 380 G N 0.758 109.552 108.800 -0.011 0.000 2.595 380 G HA2 -0.395 3.567 3.960 0.005 0.000 0.297 380 G HA3 -0.395 3.567 3.960 0.005 0.000 0.297 380 G C 0.813 175.680 174.900 -0.054 0.000 1.181 380 G CA 0.572 45.667 45.100 -0.008 0.000 0.963 380 G HN 0.307 nan 8.290 nan 0.000 0.541 381 D N -0.110 120.275 120.400 -0.026 0.000 2.228 381 D HA -0.044 4.599 4.640 0.005 0.000 0.203 381 D C 0.901 177.082 176.300 -0.199 0.000 0.988 381 D CA 1.656 55.630 54.000 -0.042 0.000 0.864 381 D CB 0.044 40.900 40.800 0.094 0.000 0.928 381 D HN 0.342 nan 8.370 nan 0.000 0.469 382 Y N 1.217 121.187 120.300 -0.549 0.000 2.335 382 Y HA 0.337 4.890 4.550 0.005 0.000 0.338 382 Y C -0.749 174.913 175.900 -0.397 0.000 0.977 382 Y CA -0.827 56.855 58.100 -0.696 0.000 1.114 382 Y CB 0.806 38.490 38.460 -1.293 0.000 1.182 382 Y HN -0.280 nan 8.280 nan 0.000 0.463 383 N N 4.570 122.719 118.700 -0.919 0.000 2.397 383 N HA 0.685 5.428 4.740 0.005 0.000 0.291 383 N C -1.772 173.284 175.510 -0.757 0.000 1.065 383 N CA -0.544 52.108 53.050 -0.664 0.000 0.884 383 N CB 2.096 40.392 38.487 -0.318 0.000 1.551 383 N HN 0.698 nan 8.380 nan 0.000 0.487 384 A N 1.424 123.891 122.820 -0.589 0.000 2.454 384 A HA 0.813 5.136 4.320 0.005 0.000 0.302 384 A C -1.538 176.043 177.584 -0.006 0.000 1.079 384 A CA -0.525 51.341 52.037 -0.284 0.000 0.731 384 A CB 1.677 20.550 19.000 -0.212 0.000 1.299 384 A HN 0.504 nan 8.150 nan 0.000 0.413 385 L N 0.781 122.101 121.223 0.161 0.000 2.422 385 L HA 0.924 5.267 4.340 0.005 0.000 0.264 385 L C -0.387 176.647 176.870 0.273 0.000 0.984 385 L CA 0.055 55.039 54.840 0.239 0.000 0.819 385 L CB 1.991 44.121 42.059 0.118 0.000 1.330 385 L HN 1.440 nan 8.230 nan 0.000 0.410 386 A N 3.317 126.300 122.820 0.272 0.000 2.520 386 A HA 1.006 5.329 4.320 0.005 0.000 0.298 386 A C -1.587 176.059 177.584 0.104 0.000 1.051 386 A CA 0.026 52.120 52.037 0.094 0.000 0.690 386 A CB 1.707 20.608 19.000 -0.166 0.000 1.281 386 A HN 1.391 nan 8.150 nan 0.000 0.402 387 A N 0.604 123.464 122.820 0.067 0.000 2.455 387 A HA 0.967 5.290 4.320 0.005 0.000 0.300 387 A C -0.134 177.417 177.584 -0.056 0.000 1.040 387 A CA 0.027 52.095 52.037 0.053 0.000 0.697 387 A CB 1.619 20.663 19.000 0.073 0.000 1.265 387 A HN 2.419 nan 8.150 nan 0.000 0.407 388 G N -0.663 107.945 108.800 -0.320 0.000 2.649 388 G HA2 0.849 4.812 3.960 0.005 0.000 0.290 388 G HA3 0.849 4.812 3.960 0.005 0.000 0.290 388 G C -0.930 173.438 174.900 -0.886 0.000 1.426 388 G CA 0.163 44.978 45.100 -0.475 0.000 0.794 388 G HN 1.862 nan 8.290 nan 0.000 0.483 389 A N -1.226 121.246 122.820 -0.581 0.000 2.413 389 A HA 1.000 5.323 4.320 0.005 0.000 0.307 389 A C 0.039 177.080 177.584 -0.906 0.000 1.087 389 A CA -0.100 51.543 52.037 -0.656 0.000 0.750 389 A CB 1.954 20.726 19.000 -0.379 0.000 1.296 389 A HN 1.993 nan 8.150 nan 0.000 0.423 390 G N 0.045 108.266 108.800 -0.966 0.000 2.612 390 G HA2 0.651 4.614 3.960 0.005 0.000 0.298 390 G HA3 0.651 4.614 3.960 0.005 0.000 0.298 390 G C -1.325 172.955 174.900 -1.034 0.000 1.336 390 G CA -0.479 44.133 45.100 -0.814 0.000 0.953 390 G HN 0.595 nan 8.290 nan 0.000 0.482 391 W N 0.864 122.159 121.300 -0.007 0.000 2.998 391 W HA 0.413 5.076 4.660 0.005 0.000 0.335 391 W C -1.406 175.059 176.519 -0.089 0.000 1.110 391 W CA -0.788 56.454 57.345 -0.173 0.000 1.230 391 W CB 2.629 31.897 29.460 -0.320 0.000 1.405 391 W HN 0.510 nan 8.180 nan 0.000 0.493 392 D N 2.508 122.948 120.400 0.067 0.000 2.192 392 D HA 0.686 5.329 4.640 0.005 0.000 0.246 392 D C -0.893 175.434 176.300 0.045 0.000 1.042 392 D CA -0.157 53.879 54.000 0.059 0.000 0.847 392 D CB 1.382 42.201 40.800 0.032 0.000 1.186 392 D HN 0.260 nan 8.370 nan 0.000 0.461 393 L N 1.397 122.661 121.223 0.068 0.000 2.333 393 L HA 0.598 4.941 4.340 0.005 0.000 0.263 393 L C 1.254 178.176 176.870 0.087 0.000 1.014 393 L CA -1.634 53.246 54.840 0.067 0.000 0.820 393 L CB 1.951 44.062 42.059 0.086 0.000 1.352 393 L HN 0.522 nan 8.230 nan 0.000 0.421 394 G N 0.504 109.355 108.800 0.086 0.000 2.991 394 G HA2 0.311 4.274 3.960 0.005 0.000 0.262 394 G HA3 0.311 4.274 3.960 0.005 0.000 0.262 394 G C 0.857 175.859 174.900 0.171 0.000 0.765 394 G CA 0.712 45.880 45.100 0.113 0.000 2.051 394 G HN 1.097 nan 8.290 nan 0.000 0.602 395 V N -1.612 118.448 119.914 0.243 0.000 1.924 395 V HA -0.166 3.957 4.120 0.005 0.000 0.124 395 V C -1.243 175.006 176.094 0.259 0.000 1.848 395 V CA 1.231 63.807 62.300 0.462 0.000 2.501 395 V CB -1.918 30.248 31.823 0.573 0.000 1.415 395 V HN 0.513 nan 8.190 nan 0.000 1.058 396 P HA 0.442 nan 4.420 nan 0.000 0.258 396 P C 0.858 178.334 177.300 0.293 0.000 1.319 396 P CA 1.805 65.005 63.100 0.167 0.000 0.785 396 P CB -0.596 31.170 31.700 0.110 0.000 1.252 397 G N -1.371 107.579 108.800 0.250 0.000 2.587 397 G HA2 -0.000 3.963 3.960 0.005 0.000 0.686 397 G HA3 -0.000 3.963 3.960 0.005 0.000 0.686 397 G C -1.108 173.859 174.900 0.112 0.000 1.236 397 G CA -0.520 44.664 45.100 0.141 0.000 0.820 397 G HN 0.304 nan 8.290 nan 0.000 0.645 398 T N -0.514 114.033 114.554 -0.012 0.000 2.940 398 T HA 0.853 5.205 4.350 0.005 0.000 0.288 398 T C -0.166 174.605 174.700 0.117 0.000 1.033 398 T CA 0.237 62.384 62.100 0.078 0.000 1.033 398 T CB 1.285 70.184 68.868 0.051 0.000 1.079 398 T HN 1.893 nan 8.240 nan 0.000 0.496 399 L N 2.006 123.394 121.223 0.276 0.000 2.479 399 L HA 0.905 5.247 4.340 0.005 0.000 0.255 399 L C -1.332 175.820 176.870 0.471 0.000 1.026 399 L CA -0.506 54.567 54.840 0.389 0.000 0.842 399 L CB 2.162 44.526 42.059 0.508 0.000 1.444 399 L HN 0.866 nan 8.230 nan 0.000 0.409 400 S N 1.548 117.526 115.700 0.463 0.000 2.565 400 S HA 0.972 5.445 4.470 0.005 0.000 0.269 400 S C -1.103 173.784 174.600 0.477 0.000 1.153 400 S CA -0.182 58.276 58.200 0.430 0.000 0.835 400 S CB 1.539 64.929 63.200 0.315 0.000 1.122 400 S HN 1.406 nan 8.310 nan 0.000 0.462 401 A N 1.184 124.274 122.820 0.451 0.000 2.498 401 A HA 0.935 5.258 4.320 0.005 0.000 0.298 401 A C -1.832 175.920 177.584 0.281 0.000 1.075 401 A CA -0.637 51.641 52.037 0.402 0.000 0.714 401 A CB 1.441 20.723 19.000 0.471 0.000 1.299 401 A HN 1.150 nan 8.150 nan 0.000 0.407 402 D N -0.322 120.238 120.400 0.267 0.000 2.623 402 D HA 0.613 5.256 4.640 0.005 0.000 0.241 402 D C -1.379 175.015 176.300 0.156 0.000 1.241 402 D CA -0.286 53.820 54.000 0.176 0.000 0.788 402 D CB 0.686 41.627 40.800 0.235 0.000 1.413 402 D HN 0.257 nan 8.370 nan 0.000 0.429 403 I N 0.049 120.664 120.570 0.074 0.000 2.569 403 I HA 0.666 4.839 4.170 0.005 0.000 0.296 403 I C -0.150 175.907 176.117 -0.101 0.000 1.028 403 I CA -0.359 60.913 61.300 -0.047 0.000 1.082 403 I CB 2.292 40.309 38.000 0.028 0.000 1.264 403 I HN 0.563 nan 8.210 nan 0.000 0.429 404 T N 4.775 119.196 114.554 -0.221 0.000 2.971 404 T HA 0.516 4.869 4.350 0.005 0.000 0.304 404 T C -1.358 173.270 174.700 -0.121 0.000 1.038 404 T CA -0.556 61.487 62.100 -0.096 0.000 1.007 404 T CB 1.355 70.206 68.868 -0.030 0.000 1.055 404 T HN 0.685 nan 8.240 nan 0.000 0.451 405 Q N 2.427 122.254 119.800 0.045 0.000 2.345 405 Q HA 0.737 5.080 4.340 0.005 0.000 0.268 405 Q C -1.142 174.969 176.000 0.185 0.000 1.054 405 Q CA -0.768 55.085 55.803 0.083 0.000 0.835 405 Q CB 1.829 30.579 28.738 0.019 0.000 1.339 405 Q HN 0.890 nan 8.270 nan 0.000 0.447 406 S N 0.734 116.558 115.700 0.207 0.000 2.548 406 S HA 0.762 5.235 4.470 0.005 0.000 0.286 406 S C -1.107 173.470 174.600 -0.037 0.000 1.098 406 S CA -0.684 57.516 58.200 0.000 0.000 0.930 406 S CB 1.875 65.054 63.200 -0.035 0.000 1.070 406 S HN 0.360 nan 8.310 nan 0.000 0.480 407 V N 1.173 120.980 119.914 -0.177 0.000 2.525 407 V HA 0.849 4.972 4.120 0.005 0.000 0.299 407 V C -0.245 175.792 176.094 -0.094 0.000 1.034 407 V CA -0.479 61.772 62.300 -0.081 0.000 0.863 407 V CB 1.311 33.085 31.823 -0.083 0.000 0.999 407 V HN 1.299 nan 8.190 nan 0.000 0.423 408 A N 4.819 127.689 122.820 0.084 0.000 2.343 408 A HA 0.819 5.142 4.320 0.005 0.000 0.308 408 A C -0.428 177.294 177.584 0.230 0.000 1.092 408 A CA -0.749 51.381 52.037 0.156 0.000 0.751 408 A CB 1.215 20.384 19.000 0.282 0.000 1.203 408 A HN 0.809 nan 8.150 nan 0.000 0.452 409 R N 3.766 124.364 120.500 0.164 0.000 2.239 409 R HA 0.514 4.857 4.340 0.005 0.000 0.332 409 R C -1.161 175.269 176.300 0.216 0.000 0.988 409 R CA -0.433 55.763 56.100 0.161 0.000 0.859 409 R CB 0.278 30.622 30.300 0.074 0.000 1.148 409 R HN 0.607 nan 8.270 nan 0.000 0.482 410 I N 4.054 124.767 120.570 0.238 0.000 2.493 410 I HA 0.128 4.300 4.170 0.005 0.000 0.298 410 I C 0.549 176.729 176.117 0.105 0.000 0.998 410 I CA -1.103 60.299 61.300 0.170 0.000 1.137 410 I CB 1.617 39.733 38.000 0.194 0.000 1.310 410 I HN 0.688 nan 8.210 nan 0.000 0.445 411 E N 4.154 124.377 120.200 0.038 0.000 2.672 411 E HA 0.012 4.365 4.350 0.005 0.000 0.234 411 E C 0.620 177.233 176.600 0.022 0.000 1.162 411 E CA 0.564 56.974 56.400 0.017 0.000 0.952 411 E CB -0.533 29.156 29.700 -0.018 0.000 0.987 411 E HN 0.920 nan 8.360 nan 0.000 0.507 412 G N 3.043 111.856 108.800 0.021 0.000 2.333 412 G HA2 -0.259 3.703 3.960 0.005 0.000 0.296 412 G HA3 -0.259 3.703 3.960 0.005 0.000 0.296 412 G C 0.218 175.125 174.900 0.012 0.000 1.059 412 G CA 0.343 45.447 45.100 0.008 0.000 1.050 412 G HN 0.598 nan 8.290 nan 0.000 0.508 413 E N -1.012 119.206 120.200 0.031 0.000 3.100 413 E HA 0.415 4.767 4.350 0.005 0.000 0.191 413 E C 1.157 177.731 176.600 -0.042 0.000 1.097 413 E CA 1.038 57.461 56.400 0.037 0.000 1.339 413 E CB 0.527 30.345 29.700 0.196 0.000 1.330 413 E HN 0.633 nan 8.360 nan 0.000 0.511 414 R N -1.557 118.912 120.500 -0.052 0.000 3.663 414 R HA 0.111 4.454 4.340 0.005 0.000 0.261 414 R C -1.766 174.417 176.300 -0.194 0.000 0.902 414 R CA 0.184 56.172 56.100 -0.188 0.000 0.789 414 R CB -0.454 29.628 30.300 -0.364 0.000 1.414 414 R HN 0.049 nan 8.270 nan 0.000 0.512 415 T N 1.974 116.379 114.554 -0.249 0.000 2.758 415 T HA 0.602 4.955 4.350 0.005 0.000 0.285 415 T C -0.871 173.694 174.700 -0.225 0.000 0.981 415 T CA -0.137 61.889 62.100 -0.123 0.000 0.965 415 T CB 0.152 68.986 68.868 -0.057 0.000 0.927 415 T HN 0.223 nan 8.240 nan 0.000 0.448 416 F N 3.005 122.975 119.950 0.033 0.000 2.350 416 F HA 0.362 4.892 4.527 0.004 0.000 0.365 416 F C 0.997 176.809 175.800 0.020 0.000 1.122 416 F CA -0.716 57.303 58.000 0.032 0.000 1.139 416 F CB 0.748 39.784 39.000 0.060 0.000 1.220 416 F HN 0.362 nan 8.300 nan 0.000 0.499 417 Q N 1.961 121.842 119.800 0.134 0.000 2.309 417 Q HA 0.815 5.158 4.340 0.005 0.000 0.264 417 Q C 0.027 176.104 176.000 0.128 0.000 1.008 417 Q CA -0.939 54.926 55.803 0.102 0.000 0.853 417 Q CB 2.676 31.443 28.738 0.048 0.000 1.314 417 Q HN 0.864 nan 8.270 nan 0.000 0.448 418 G N 1.106 110.003 108.800 0.161 0.000 2.550 418 G HA2 0.577 4.540 3.960 0.005 0.000 0.293 418 G HA3 0.577 4.540 3.960 0.005 0.000 0.293 418 G C -1.945 173.033 174.900 0.130 0.000 1.402 418 G CA -0.863 44.341 45.100 0.175 0.000 0.784 418 G HN 0.503 nan 8.290 nan 0.000 0.482 419 K N -0.953 119.349 120.400 -0.163 0.000 2.542 419 K HA 0.757 5.080 4.320 0.005 0.000 0.259 419 K C -1.419 174.535 176.600 -1.078 0.000 0.932 419 K CA -0.810 55.107 56.287 -0.617 0.000 0.820 419 K CB 2.093 34.217 32.500 -0.626 0.000 1.345 419 K HN 0.412 nan 8.250 nan 0.000 0.432 420 S N 1.403 116.345 115.700 -1.264 0.000 2.501 420 S HA 0.551 5.024 4.470 0.005 0.000 0.301 420 S C -1.357 172.857 174.600 -0.644 0.000 1.096 420 S CA -0.734 56.923 58.200 -0.906 0.000 1.063 420 S CB 0.495 63.159 63.200 -0.894 0.000 1.042 420 S HN 0.464 nan 8.310 nan 0.000 0.494 421 W N 3.736 125.055 121.300 0.032 0.000 2.532 421 W HA 0.496 5.158 4.660 0.004 0.000 0.321 421 W C 0.220 176.838 176.519 0.165 0.000 1.037 421 W CA -0.706 56.723 57.345 0.139 0.000 1.220 421 W CB 1.293 30.898 29.460 0.242 0.000 1.361 421 W HN 0.493 nan 8.180 nan 0.000 0.468 422 R N 4.116 124.820 120.500 0.340 0.000 2.532 422 R HA 0.628 4.971 4.340 0.005 0.000 0.297 422 R C -1.862 174.637 176.300 0.332 0.000 0.984 422 R CA -0.559 55.717 56.100 0.293 0.000 0.884 422 R CB 1.242 31.649 30.300 0.179 0.000 1.182 422 R HN 0.608 nan 8.270 nan 0.000 0.442 423 L N 3.380 124.819 121.223 0.360 0.000 2.356 423 L HA 0.503 4.846 4.340 0.005 0.000 0.277 423 L C -0.635 176.405 176.870 0.282 0.000 0.996 423 L CA -0.775 54.260 54.840 0.325 0.000 0.822 423 L CB 2.204 44.438 42.059 0.291 0.000 1.256 423 L HN 0.745 nan 8.230 nan 0.000 0.413 424 S N 1.586 117.446 115.700 0.267 0.000 2.557 424 S HA 0.624 5.096 4.470 0.005 0.000 0.291 424 S C -1.280 173.431 174.600 0.185 0.000 1.116 424 S CA -0.784 57.529 58.200 0.189 0.000 0.992 424 S CB 1.769 65.144 63.200 0.291 0.000 1.028 424 S HN 0.478 nan 8.310 nan 0.000 0.484 425 Y N 1.759 121.964 120.300 -0.159 0.000 2.409 425 Y HA 0.730 5.283 4.550 0.005 0.000 0.343 425 Y C -0.618 175.218 175.900 -0.105 0.000 0.973 425 Y CA -0.508 57.544 58.100 -0.079 0.000 1.064 425 Y CB 2.110 40.525 38.460 -0.075 0.000 1.207 425 Y HN 0.866 nan 8.280 nan 0.000 0.452 426 S N 5.889 121.144 115.700 -0.742 0.000 2.720 426 S HA 0.415 4.888 4.470 0.005 0.000 0.278 426 S C -1.887 172.432 174.600 -0.469 0.000 1.172 426 S CA -0.975 57.019 58.200 -0.343 0.000 1.019 426 S CB 0.231 63.565 63.200 0.222 0.000 1.049 426 S HN 0.692 nan 8.310 nan 0.000 0.483 427 K N 3.601 123.798 120.400 -0.338 0.000 2.423 427 K HA 0.494 4.817 4.320 0.005 0.000 0.234 427 K C -0.348 176.259 176.600 0.012 0.000 1.051 427 K CA -0.793 55.435 56.287 -0.098 0.000 1.021 427 K CB 1.036 33.567 32.500 0.051 0.000 1.474 427 K HN 0.427 nan 8.250 nan 0.000 0.474 428 R N 3.471 123.959 120.500 -0.019 0.000 2.439 428 R HA 0.402 4.745 4.340 0.005 0.000 0.310 428 R C -1.579 174.688 176.300 -0.054 0.000 0.955 428 R CA -0.483 55.571 56.100 -0.077 0.000 0.853 428 R CB 0.777 30.922 30.300 -0.259 0.000 1.171 428 R HN 0.509 nan 8.270 nan 0.000 0.449 435 D N 2.295 122.695 120.400 -0.000 0.000 2.485 435 D HA 0.428 5.071 4.640 0.005 0.000 0.256 435 D C -0.461 175.851 176.300 0.021 0.000 1.141 435 D CA -0.062 53.938 54.000 0.001 0.000 0.942 435 D CB 0.347 41.135 40.800 -0.020 0.000 1.003 435 D HN 0.508 nan 8.370 nan 0.000 0.507 436 I N -0.426 120.148 120.570 0.007 0.000 2.371 436 I HA 0.473 4.645 4.170 0.005 0.000 0.290 436 I C -0.113 176.053 176.117 0.082 0.000 1.028 436 I CA -0.138 61.165 61.300 0.005 0.000 1.345 436 I CB 0.693 38.649 38.000 -0.072 0.000 1.407 436 I HN -0.125 nan 8.210 nan 0.000 0.501 437 T N 7.328 121.954 114.554 0.121 0.000 2.952 437 T HA 0.627 4.980 4.350 0.005 0.000 0.305 437 T C -1.179 173.678 174.700 0.262 0.000 1.064 437 T CA -0.369 61.846 62.100 0.192 0.000 1.008 437 T CB 1.853 70.834 68.868 0.188 0.000 1.078 437 T HN 0.546 nan 8.240 nan 0.000 0.459 438 F N 2.122 122.155 119.950 0.137 0.000 2.588 438 F HA 0.718 5.248 4.527 0.005 0.000 0.314 438 F C -1.410 174.491 175.800 0.167 0.000 1.134 438 F CA -0.514 57.570 58.000 0.140 0.000 0.961 438 F CB 1.087 40.172 39.000 0.141 0.000 1.239 438 F HN 0.756 nan 8.300 nan 0.000 0.448 439 A N 3.454 125.842 122.820 -0.719 0.000 2.401 439 A HA 0.944 5.267 4.320 0.005 0.000 0.310 439 A C -0.848 176.299 177.584 -0.729 0.000 1.075 439 A CA -0.370 51.410 52.037 -0.428 0.000 0.746 439 A CB 1.552 20.546 19.000 -0.011 0.000 1.277 439 A HN 1.433 nan 8.150 nan 0.000 0.425 440 G N -0.394 108.295 108.800 -0.186 0.000 2.719 440 G HA2 0.552 4.515 3.960 0.005 0.000 0.298 440 G HA3 0.552 4.515 3.960 0.005 0.000 0.298 440 G C -1.932 173.148 174.900 0.299 0.000 1.411 440 G CA -0.316 44.822 45.100 0.064 0.000 0.991 440 G HN 0.969 nan 8.290 nan 0.000 0.509 441 Y N 1.373 121.795 120.300 0.204 0.000 2.477 441 Y HA 0.822 5.374 4.550 0.005 0.000 0.347 441 Y C -0.304 175.730 175.900 0.223 0.000 0.981 441 Y CA -1.238 57.007 58.100 0.241 0.000 1.033 441 Y CB 2.335 40.920 38.460 0.207 0.000 1.245 441 Y HN 0.685 nan 8.280 nan 0.000 0.455 442 R N 5.562 125.716 120.500 -0.577 0.000 2.522 442 R HA 0.478 4.821 4.340 0.005 0.000 0.283 442 R C -2.596 173.506 176.300 -0.329 0.000 1.074 442 R CA -0.559 55.390 56.100 -0.252 0.000 0.925 442 R CB 1.089 31.345 30.300 -0.073 0.000 1.205 442 R HN 0.633 nan 8.270 nan 0.000 0.436 443 F N 3.487 123.395 119.950 -0.071 0.000 2.493 443 F HA 0.612 5.142 4.527 0.004 0.000 0.329 443 F C -1.207 174.717 175.800 0.207 0.000 1.126 443 F CA -0.296 57.772 58.000 0.112 0.000 0.937 443 F CB 2.045 41.272 39.000 0.378 0.000 1.146 443 F HN 0.546 nan 8.300 nan 0.000 0.442 444 S N 3.704 119.029 115.700 -0.624 0.000 2.521 444 S HA 0.499 4.972 4.470 0.005 0.000 0.295 444 S C -0.918 173.537 174.600 -0.241 0.000 1.098 444 S CA -1.101 56.873 58.200 -0.376 0.000 0.999 444 S CB 1.684 64.833 63.200 -0.085 0.000 1.034 444 S HN 0.698 nan 8.310 nan 0.000 0.483 445 E N 1.196 121.349 120.200 -0.078 0.000 2.418 445 E HA 0.077 4.429 4.350 0.005 0.000 0.261 445 E C 1.231 177.831 176.600 0.002 0.000 1.070 445 E CA -0.387 56.062 56.400 0.082 0.000 0.931 445 E CB 0.563 30.319 29.700 0.094 0.000 0.954 445 E HN 0.698 nan 8.360 nan 0.000 0.439 446 R N 2.323 122.466 120.500 -0.594 0.000 2.154 446 R HA -0.234 4.109 4.340 0.005 0.000 0.248 446 R C 0.679 176.853 176.300 -0.210 0.000 1.155 446 R CA 1.709 57.235 56.100 -0.956 0.000 0.979 446 R CB 0.052 29.628 30.300 -1.206 0.000 0.869 446 R HN 0.473 nan 8.270 nan 0.000 0.452 447 N N -0.695 117.988 118.700 -0.028 0.000 2.205 447 N HA -0.055 4.688 4.740 0.005 0.000 0.201 447 N C -0.133 175.509 175.510 0.221 0.000 1.128 447 N CA -0.052 53.117 53.050 0.197 0.000 0.867 447 N CB 0.264 38.877 38.487 0.211 0.000 0.996 447 N HN 0.179 nan 8.380 nan 0.000 0.503 453 Q N -0.430 119.194 119.800 -0.293 0.000 2.152 453 Q HA -0.219 4.123 4.340 0.005 0.000 0.206 453 Q C 1.801 177.548 176.000 -0.421 0.000 0.985 453 Q CA 2.165 57.783 55.803 -0.309 0.000 0.863 453 Q CB -0.282 28.300 28.738 -0.261 0.000 0.904 453 Q HN 0.428 nan 8.270 nan 0.000 0.422 454 Y N 0.531 120.468 120.300 -0.606 0.000 2.163 454 Y HA -0.188 4.365 4.550 0.005 0.000 0.288 454 Y C 1.607 177.198 175.900 -0.516 0.000 1.136 454 Y CA 1.468 59.205 58.100 -0.604 0.000 1.147 454 Y CB -0.258 37.706 38.460 -0.827 0.000 0.987 454 Y HN 0.029 nan 8.280 nan 0.000 0.509 455 L N 0.306 121.036 121.223 -0.822 0.000 2.131 455 L HA -0.224 4.119 4.340 0.005 0.000 0.210 455 L C 2.008 178.409 176.870 -0.782 0.000 1.092 455 L CA 1.353 55.650 54.840 -0.906 0.000 0.759 455 L CB -0.700 40.691 42.059 -1.114 0.000 0.903 455 L HN 0.249 nan 8.230 nan 0.000 0.435 456 N N 0.327 118.652 118.700 -0.624 0.000 2.216 456 N HA -0.081 4.662 4.740 0.005 0.000 0.183 456 N C 1.912 177.115 175.510 -0.513 0.000 1.017 456 N CA 1.403 54.191 53.050 -0.438 0.000 0.861 456 N CB -0.210 38.092 38.487 -0.308 0.000 0.986 456 N HN 0.285 nan 8.380 nan 0.000 0.428 457 A N 0.977 123.365 122.820 -0.720 0.000 1.873 457 A HA -0.083 4.240 4.320 0.005 0.000 0.215 457 A C 2.285 179.449 177.584 -0.700 0.000 1.186 457 A CA 1.043 52.460 52.037 -1.034 0.000 0.616 457 A CB -0.286 17.947 19.000 -1.278 0.000 0.823 457 A HN 0.067 nan 8.150 nan 0.000 0.442 458 R N -1.084 118.986 120.500 -0.716 0.000 2.055 458 R HA -0.091 4.251 4.340 0.005 0.000 0.228 458 R C 1.879 177.796 176.300 -0.638 0.000 1.143 458 R CA 2.040 57.725 56.100 -0.690 0.000 0.945 458 R CB -0.715 28.964 30.300 -1.036 0.000 0.841 458 R HN 0.613 nan 8.270 nan 0.000 0.429 459 Y N -0.452 119.604 120.300 -0.407 0.000 2.397 459 Y HA 0.160 4.713 4.550 0.005 0.000 0.292 459 Y C 2.155 177.964 175.900 -0.152 0.000 1.115 459 Y CA 0.772 58.730 58.100 -0.236 0.000 1.208 459 Y CB 0.109 38.438 38.460 -0.218 0.000 1.046 459 Y HN -0.029 nan 8.280 nan 0.000 0.552 460 R N 0.035 120.498 120.500 -0.062 0.000 2.362 460 R HA 0.072 4.415 4.340 0.005 0.000 0.227 460 R C 0.264 176.523 176.300 -0.067 0.000 0.905 460 R CA 0.246 56.325 56.100 -0.035 0.000 1.067 460 R CB -0.023 30.264 30.300 -0.022 0.000 1.078 460 R HN 0.147 nan 8.270 nan 0.000 0.516 461 N N 1.444 120.073 118.700 -0.119 0.000 2.725 461 N HA -0.217 4.526 4.740 0.005 0.000 0.249 461 N C -1.405 174.115 175.510 0.016 0.000 1.103 461 N CA 0.987 54.023 53.050 -0.023 0.000 0.707 461 N CB -0.867 37.646 38.487 0.043 0.000 1.043 461 N HN 0.290 nan 8.380 nan 0.000 0.553 462 D N -1.070 119.225 120.400 -0.175 0.000 2.256 462 D HA 0.376 5.019 4.640 0.005 0.000 0.240 462 D C -0.035 176.077 176.300 -0.313 0.000 1.062 462 D CA -0.339 53.593 54.000 -0.113 0.000 0.832 462 D CB 0.372 41.103 40.800 -0.114 0.000 1.135 462 D HN 0.225 nan 8.370 nan 0.000 0.484 463 Y N 1.331 121.568 120.300 -0.105 0.000 2.588 463 Y HA 0.290 4.843 4.550 0.005 0.000 0.247 463 Y C 1.145 177.000 175.900 -0.076 0.000 1.157 463 Y CA -0.445 57.581 58.100 -0.122 0.000 1.215 463 Y CB 0.410 38.811 38.460 -0.097 0.000 1.245 463 Y HN 0.272 nan 8.280 nan 0.000 0.534 464 S N -0.079 115.646 115.700 0.041 0.000 2.606 464 S HA 0.201 4.674 4.470 0.005 0.000 0.257 464 S C 0.791 175.373 174.600 -0.031 0.000 1.327 464 S CA 0.170 58.370 58.200 -0.000 0.000 0.984 464 S CB 0.177 63.350 63.200 -0.046 0.000 0.941 464 S HN 0.340 nan 8.310 nan 0.000 0.576 465 S N 1.577 117.225 115.700 -0.088 0.000 3.477 465 S HA -0.113 4.359 4.470 0.005 0.000 0.426 465 S C -0.683 174.031 174.600 0.190 0.000 0.874 465 S CA 0.272 58.401 58.200 -0.118 0.000 1.341 465 S CB -0.891 62.196 63.200 -0.188 0.000 0.917 465 S HN 0.560 nan 8.310 nan 0.000 0.607 466 R N 2.386 123.073 120.500 0.312 0.000 2.235 466 R HA 0.254 4.597 4.340 0.005 0.000 0.338 466 R C 0.483 177.096 176.300 0.522 0.000 1.087 466 R CA -0.230 56.093 56.100 0.373 0.000 0.948 466 R CB 0.138 30.663 30.300 0.376 0.000 1.099 466 R HN 0.626 nan 8.270 nan 0.000 0.483 467 E N 1.699 122.121 120.200 0.370 0.000 2.415 467 E HA -0.035 4.318 4.350 0.005 0.000 0.262 467 E C 0.726 177.342 176.600 0.025 0.000 1.038 467 E CA 0.350 56.803 56.400 0.089 0.000 0.921 467 E CB 1.248 30.965 29.700 0.028 0.000 0.950 467 E HN 0.382 nan 8.360 nan 0.000 0.438 468 K N 1.599 121.809 120.400 -0.317 0.000 2.572 468 K HA 0.165 4.488 4.320 0.005 0.000 0.234 468 K C 0.087 176.483 176.600 -0.339 0.000 1.374 468 K CA -0.128 55.827 56.287 -0.554 0.000 0.771 468 K CB 0.644 32.534 32.500 -1.015 0.000 1.738 468 K HN 0.401 nan 8.250 nan 0.000 0.388 472 T N 5.845 120.290 114.554 -0.181 0.000 2.921 472 T HA 0.824 5.177 4.350 0.005 0.000 0.297 472 T C -2.150 172.452 174.700 -0.164 0.000 1.013 472 T CA -0.369 61.632 62.100 -0.165 0.000 0.990 472 T CB 1.007 69.922 68.868 0.078 0.000 1.023 472 T HN 0.522 nan 8.240 nan 0.000 0.447 473 V N 3.752 123.614 119.914 -0.088 0.000 2.876 473 V HA 0.805 4.927 4.120 0.005 0.000 0.312 473 V C -0.475 175.722 176.094 0.172 0.000 1.085 473 V CA -0.668 61.655 62.300 0.039 0.000 0.945 473 V CB 2.689 34.507 31.823 -0.009 0.000 1.017 473 V HN 1.070 nan 8.190 nan 0.000 0.428 474 T N 5.051 119.744 114.554 0.231 0.000 3.170 474 T HA 0.564 4.917 4.350 0.005 0.000 0.315 474 T C -0.995 173.823 174.700 0.197 0.000 0.967 474 T CA -0.276 61.947 62.100 0.205 0.000 1.024 474 T CB 0.773 69.784 68.868 0.238 0.000 1.018 474 T HN 0.352 nan 8.240 nan 0.000 0.449 475 L N 3.468 124.780 121.223 0.149 0.000 2.346 475 L HA 0.688 5.031 4.340 0.005 0.000 0.276 475 L C 0.055 176.990 176.870 0.108 0.000 1.006 475 L CA -0.792 54.153 54.840 0.175 0.000 0.817 475 L CB 1.573 43.806 42.059 0.289 0.000 1.272 475 L HN 0.499 nan 8.230 nan 0.000 0.421 476 N N 3.469 122.237 118.700 0.113 0.000 2.732 476 N HA 0.160 4.903 4.740 0.005 0.000 0.247 476 N C -1.701 173.853 175.510 0.073 0.000 1.305 476 N CA -0.456 52.629 53.050 0.058 0.000 0.762 476 N CB 1.111 39.606 38.487 0.014 0.000 1.361 476 N HN 0.677 nan 8.380 nan 0.000 0.545 477 K N 1.200 121.680 120.400 0.133 0.000 2.292 477 K HA 0.447 4.770 4.320 0.005 0.000 0.257 477 K C -0.685 175.943 176.600 0.047 0.000 0.940 477 K CA -0.895 55.435 56.287 0.072 0.000 0.811 477 K CB 1.242 33.780 32.500 0.063 0.000 1.120 477 K HN 0.195 nan 8.250 nan 0.000 0.428 478 N N 2.450 121.137 118.700 -0.022 0.000 2.621 478 N HA 0.100 4.842 4.740 0.005 0.000 0.237 478 N C -0.745 174.692 175.510 -0.122 0.000 0.997 478 N CA -0.688 52.329 53.050 -0.055 0.000 0.918 478 N CB 1.501 39.952 38.487 -0.060 0.000 1.122 478 N HN 0.285 nan 8.380 nan 0.000 0.510 479 V N 1.911 121.719 119.914 -0.177 0.000 2.381 479 V HA 0.158 4.281 4.120 0.005 0.000 0.257 479 V C 1.551 177.473 176.094 -0.286 0.000 1.057 479 V CA -0.227 61.869 62.300 -0.340 0.000 1.013 479 V CB 0.023 31.465 31.823 -0.635 0.000 1.069 479 V HN 0.835 nan 8.190 nan 0.000 0.484 480 A N 3.042 125.723 122.820 -0.231 0.000 2.235 480 A HA 0.019 4.342 4.320 0.005 0.000 0.208 480 A C 1.409 178.891 177.584 -0.169 0.000 1.172 480 A CA 0.385 52.329 52.037 -0.154 0.000 0.786 480 A CB -0.220 18.717 19.000 -0.105 0.000 0.804 480 A HN 0.749 nan 8.150 nan 0.000 0.479 481 D N -1.595 118.611 120.400 -0.324 0.000 2.340 481 D HA 0.009 4.652 4.640 0.005 0.000 0.220 481 D C 0.180 176.379 176.300 -0.169 0.000 1.039 481 D CA 0.422 54.239 54.000 -0.305 0.000 0.866 481 D CB 0.075 40.629 40.800 -0.410 0.000 0.913 481 D HN 0.758 nan 8.370 nan 0.000 0.523 482 W N 0.145 121.412 121.300 -0.054 0.000 1.479 482 W HA 0.148 4.811 4.660 0.005 0.000 0.224 482 W C -0.219 176.239 176.519 -0.102 0.000 0.799 482 W CA -0.635 56.665 57.345 -0.075 0.000 1.149 482 W CB -1.124 28.292 29.460 -0.073 0.000 0.935 482 W HN -0.195 nan 8.180 nan 0.000 0.454 483 N N 1.760 120.477 118.700 0.029 0.000 2.642 483 N HA -0.186 4.557 4.740 0.005 0.000 0.269 483 N C -0.256 175.210 175.510 -0.072 0.000 1.073 483 N CA 1.935 54.969 53.050 -0.026 0.000 0.748 483 N CB -1.167 37.334 38.487 0.023 0.000 0.894 483 N HN 0.130 nan 8.380 nan 0.000 0.548 484 T N -1.359 113.156 114.554 -0.066 0.000 2.894 484 T HA 0.662 5.015 4.350 0.005 0.000 0.309 484 T C -1.145 173.526 174.700 -0.048 0.000 1.208 484 T CA -0.383 61.685 62.100 -0.053 0.000 1.016 484 T CB 1.179 70.088 68.868 0.068 0.000 1.192 484 T HN 0.206 nan 8.240 nan 0.000 0.491 485 S N 2.829 118.504 115.700 -0.041 0.000 2.519 485 S HA 0.756 5.229 4.470 0.005 0.000 0.309 485 S C -1.103 173.537 174.600 0.067 0.000 1.100 485 S CA -0.797 57.395 58.200 -0.013 0.000 1.059 485 S CB 1.147 64.301 63.200 -0.077 0.000 1.008 485 S HN 0.630 nan 8.310 nan 0.000 0.478 486 F N 2.782 122.703 119.950 -0.049 0.000 2.443 486 F HA 0.717 5.247 4.527 0.005 0.000 0.335 486 F C -0.455 175.320 175.800 -0.042 0.000 1.104 486 F CA -0.566 57.414 58.000 -0.032 0.000 1.013 486 F CB 1.443 40.437 39.000 -0.009 0.000 1.136 486 F HN 0.665 nan 8.300 nan 0.000 0.470 487 N N 6.175 124.392 118.700 -0.804 0.000 2.425 487 N HA 0.467 5.209 4.740 0.005 0.000 0.289 487 N C -2.227 172.874 175.510 -0.682 0.000 1.074 487 N CA -0.382 52.346 53.050 -0.537 0.000 0.905 487 N CB 2.133 40.434 38.487 -0.310 0.000 1.586 487 N HN 0.889 nan 8.380 nan 0.000 0.490 488 L N 1.892 122.856 121.223 -0.431 0.000 2.482 488 L HA 0.534 4.877 4.340 0.005 0.000 0.263 488 L C -1.559 175.236 176.870 -0.125 0.000 0.957 488 L CA -0.429 54.212 54.840 -0.331 0.000 0.836 488 L CB 1.836 43.748 42.059 -0.245 0.000 1.324 488 L HN 0.484 nan 8.230 nan 0.000 0.406 489 Q N 4.091 123.809 119.800 -0.138 0.000 2.274 489 Q HA 0.372 4.715 4.340 0.005 0.000 0.268 489 Q C -2.015 174.033 176.000 0.080 0.000 1.015 489 Q CA -0.570 55.232 55.803 -0.001 0.000 0.775 489 Q CB 2.975 31.713 28.738 0.000 0.000 1.256 489 Q HN 0.528 nan 8.270 nan 0.000 0.442 490 Y N 0.837 121.158 120.300 0.035 0.000 2.409 490 Y HA 0.612 5.165 4.550 0.004 0.000 0.343 490 Y C -1.100 174.832 175.900 0.054 0.000 0.973 490 Y CA -0.777 57.382 58.100 0.098 0.000 1.064 490 Y CB 2.219 40.762 38.460 0.138 0.000 1.207 490 Y HN 0.540 nan 8.280 nan 0.000 0.452 491 S N 6.633 121.990 115.700 -0.571 0.000 2.721 491 S HA 0.445 4.917 4.470 0.005 0.000 0.264 491 S C -1.424 172.885 174.600 -0.485 0.000 1.161 491 S CA -0.710 57.256 58.200 -0.389 0.000 1.113 491 S CB 0.265 63.437 63.200 -0.046 0.000 1.079 491 S HN 0.813 nan 8.310 nan 0.000 0.479 492 R N 3.074 123.292 120.500 -0.470 0.000 2.338 492 R HA 0.498 4.841 4.340 0.005 0.000 0.317 492 R C -1.199 175.065 176.300 -0.061 0.000 0.968 492 R CA -0.518 55.458 56.100 -0.206 0.000 0.849 492 R CB 0.878 31.170 30.300 -0.013 0.000 1.128 492 R HN 0.446 nan 8.270 nan 0.000 0.448 493 Q N 2.346 122.110 119.800 -0.060 0.000 2.292 493 Q HA 0.271 4.614 4.340 0.005 0.000 0.270 493 Q C -1.480 174.346 176.000 -0.290 0.000 1.024 493 Q CA -0.280 55.420 55.803 -0.171 0.000 0.768 493 Q CB 2.438 31.095 28.738 -0.136 0.000 1.250 493 Q HN 0.740 nan 8.270 nan 0.000 0.447 494 T N 2.401 116.705 114.554 -0.415 0.000 2.908 494 T HA 0.777 5.130 4.350 0.005 0.000 0.290 494 T C -1.262 173.051 174.700 -0.646 0.000 1.034 494 T CA -0.097 61.778 62.100 -0.374 0.000 1.010 494 T CB 0.564 69.331 68.868 -0.168 0.000 1.068 494 T HN 0.369 nan 8.240 nan 0.000 0.481 495 Y N 0.522 120.774 120.300 -0.081 0.000 2.598 495 Y HA 0.466 5.019 4.550 0.005 0.000 0.340 495 Y C 0.345 176.202 175.900 -0.072 0.000 1.038 495 Y CA -1.139 56.923 58.100 -0.065 0.000 1.100 495 Y CB 1.021 39.501 38.460 0.034 0.000 1.281 495 Y HN 0.751 nan 8.280 nan 0.000 0.488 496 W N 0.471 121.899 121.300 0.213 0.000 2.523 496 W HA -0.064 4.598 4.660 0.004 0.000 0.278 496 W C 1.595 178.198 176.519 0.141 0.000 1.236 496 W CA 1.334 58.770 57.345 0.153 0.000 1.306 496 W CB 0.306 29.845 29.460 0.131 0.000 1.101 496 W HN 0.674 nan 8.180 nan 0.000 0.577 497 D N -0.175 120.450 120.400 0.376 0.000 2.380 497 D HA -0.007 4.636 4.640 0.005 0.000 0.212 497 D C 0.888 177.267 176.300 0.131 0.000 1.021 497 D CA 0.556 54.688 54.000 0.221 0.000 0.884 497 D CB -0.174 40.730 40.800 0.173 0.000 1.001 497 D HN 0.052 nan 8.370 nan 0.000 0.506 498 I N -0.578 120.059 120.570 0.112 0.000 3.002 498 I HA 0.482 4.655 4.170 0.005 0.000 0.310 498 I C -0.007 176.169 176.117 0.098 0.000 1.087 498 I CA -1.356 59.959 61.300 0.025 0.000 1.017 498 I CB 1.777 39.693 38.000 -0.141 0.000 1.226 498 I HN -0.181 nan 8.210 nan 0.000 0.443 499 R N 2.200 122.737 120.500 0.062 0.000 2.679 499 R HA 0.161 4.503 4.340 0.005 0.000 0.268 499 R C 0.122 176.521 176.300 0.166 0.000 1.044 499 R CA -0.596 55.563 56.100 0.098 0.000 1.105 499 R CB 0.496 30.831 30.300 0.059 0.000 0.989 499 R HN 0.741 nan 8.270 nan 0.000 0.447 500 K N 1.266 121.769 120.400 0.172 0.000 2.561 500 K HA -0.099 4.224 4.320 0.005 0.000 0.280 500 K C -0.746 175.975 176.600 0.202 0.000 0.975 500 K CA 0.645 57.046 56.287 0.189 0.000 1.024 500 K CB 0.579 33.146 32.500 0.112 0.000 0.883 500 K HN 0.662 nan 8.250 nan 0.000 0.496 501 T N 2.826 117.531 114.554 0.251 0.000 2.829 501 T HA 0.240 4.593 4.350 0.005 0.000 0.280 501 T C -1.807 173.004 174.700 0.186 0.000 0.999 501 T CA -0.738 61.512 62.100 0.251 0.000 0.983 501 T CB 0.877 69.947 68.868 0.337 0.000 0.968 501 T HN 0.794 nan 8.240 nan 0.000 0.446 502 D N 3.561 124.078 120.400 0.196 0.000 2.931 502 D HA 0.189 4.832 4.640 0.005 0.000 0.215 502 D C -1.949 174.470 176.300 0.198 0.000 1.297 502 D CA -0.348 53.725 54.000 0.122 0.000 0.892 502 D CB 1.552 42.421 40.800 0.114 0.000 1.642 502 D HN 0.450 nan 8.370 nan 0.000 0.560 503 Y N 3.454 123.742 120.300 -0.021 0.000 2.468 503 Y HA 0.642 5.195 4.550 0.004 0.000 0.342 503 Y C -1.939 174.026 175.900 0.108 0.000 1.021 503 Y CA -0.757 57.351 58.100 0.013 0.000 1.079 503 Y CB 1.581 40.033 38.460 -0.014 0.000 1.226 503 Y HN 0.436 nan 8.280 nan 0.000 0.460 504 Y N 3.010 122.752 120.300 -0.931 0.000 2.442 504 Y HA 0.512 5.064 4.550 0.005 0.000 0.330 504 Y C -1.493 173.903 175.900 -0.839 0.000 1.100 504 Y CA -0.645 57.122 58.100 -0.555 0.000 1.034 504 Y CB 1.914 40.313 38.460 -0.100 0.000 1.285 504 Y HN 0.682 nan 8.280 nan 0.000 0.440 505 T N 5.842 119.730 114.554 -1.109 0.000 3.071 505 T HA 0.718 5.071 4.350 0.005 0.000 0.311 505 T C -2.338 171.866 174.700 -0.827 0.000 1.042 505 T CA -0.393 61.174 62.100 -0.887 0.000 1.028 505 T CB 0.576 69.083 68.868 -0.602 0.000 1.068 505 T HN 0.505 nan 8.240 nan 0.000 0.451 506 V N 4.514 124.003 119.914 -0.709 0.000 2.760 506 V HA 0.882 5.005 4.120 0.005 0.000 0.309 506 V C -0.560 175.311 176.094 -0.372 0.000 1.077 506 V CA -0.757 61.211 62.300 -0.555 0.000 0.910 506 V CB 2.228 33.761 31.823 -0.483 0.000 1.008 506 V HN 1.114 nan 8.190 nan 0.000 0.424 507 S N 3.236 118.709 115.700 -0.379 0.000 2.546 507 S HA 0.871 5.344 4.470 0.005 0.000 0.272 507 S C -1.346 173.132 174.600 -0.204 0.000 1.140 507 S CA -0.701 57.355 58.200 -0.239 0.000 0.920 507 S CB 1.907 64.978 63.200 -0.214 0.000 1.083 507 S HN 0.587 nan 8.310 nan 0.000 0.476 508 V N 2.784 122.659 119.914 -0.065 0.000 2.604 508 V HA 0.682 4.804 4.120 0.005 0.000 0.305 508 V C -0.949 175.157 176.094 0.020 0.000 1.043 508 V CA -0.775 61.541 62.300 0.027 0.000 0.888 508 V CB 1.754 33.658 31.823 0.136 0.000 0.995 508 V HN 0.968 nan 8.190 nan 0.000 0.429 509 N N 3.307 122.009 118.700 0.002 0.000 2.336 509 N HA 0.542 5.285 4.740 0.005 0.000 0.290 509 N C -1.046 174.428 175.510 -0.060 0.000 1.058 509 N CA -0.709 52.330 53.050 -0.018 0.000 0.865 509 N CB 3.266 41.709 38.487 -0.072 0.000 1.581 509 N HN 0.715 nan 8.380 nan 0.000 0.480 510 R N 1.296 121.795 120.500 -0.003 0.000 2.854 510 R HA 0.480 4.822 4.340 0.005 0.000 0.271 510 R C -1.281 175.051 176.300 0.053 0.000 0.994 510 R CA -0.485 55.584 56.100 -0.052 0.000 0.945 510 R CB 1.416 31.708 30.300 -0.014 0.000 1.194 510 R HN 0.335 nan 8.270 nan 0.000 0.476 511 Y N 1.310 121.556 120.300 -0.090 0.000 2.420 511 Y HA 0.492 5.045 4.550 0.005 0.000 0.334 511 Y C -0.436 175.317 175.900 -0.245 0.000 1.094 511 Y CA -0.945 57.131 58.100 -0.039 0.000 1.126 511 Y CB 1.220 39.670 38.460 -0.018 0.000 1.217 511 Y HN 0.423 nan 8.280 nan 0.000 0.462 512 F N 0.965 121.043 119.950 0.213 0.000 2.611 512 F HA 0.379 4.909 4.527 0.005 0.000 0.324 512 F C -0.323 175.523 175.800 0.076 0.000 1.061 512 F CA -1.229 56.846 58.000 0.125 0.000 0.954 512 F CB 1.615 40.675 39.000 0.100 0.000 1.301 512 F HN 0.417 nan 8.300 nan 0.000 0.482 513 N N 1.090 119.947 118.700 0.262 0.000 2.898 513 N HA 0.351 5.094 4.740 0.005 0.000 0.245 513 N C -1.663 173.961 175.510 0.191 0.000 1.185 513 N CA -0.307 52.849 53.050 0.176 0.000 0.879 513 N CB 1.398 39.950 38.487 0.108 0.000 1.157 513 N HN 0.391 nan 8.380 nan 0.000 0.503 514 V N 4.405 124.440 119.914 0.202 0.000 2.350 514 V HA 0.678 4.801 4.120 0.005 0.000 0.285 514 V C -0.452 175.813 176.094 0.285 0.000 1.014 514 V CA -0.533 61.882 62.300 0.191 0.000 0.831 514 V CB -0.496 31.390 31.823 0.106 0.000 1.000 514 V HN 0.682 nan 8.190 nan 0.000 0.433 520 V N 0.880 120.834 119.914 0.066 0.000 2.673 520 V HA 0.500 4.623 4.120 0.005 0.000 0.303 520 V C 0.908 177.172 176.094 0.284 0.000 1.046 520 V CA 0.847 63.230 62.300 0.138 0.000 1.126 520 V CB 1.179 33.090 31.823 0.146 0.000 0.934 520 V HN 0.932 nan 8.190 nan 0.000 0.487 521 A N 5.187 128.171 122.820 0.273 0.000 2.355 521 A HA 0.807 5.130 4.320 0.005 0.000 0.317 521 A C -0.896 176.864 177.584 0.293 0.000 1.094 521 A CA -0.538 51.747 52.037 0.413 0.000 0.764 521 A CB 1.758 21.048 19.000 0.484 0.000 1.230 521 A HN 0.613 nan 8.150 nan 0.000 0.448 522 V N 1.873 121.974 119.914 0.312 0.000 2.409 522 V HA 0.663 4.786 4.120 0.005 0.000 0.291 522 V C 0.624 176.821 176.094 0.171 0.000 1.020 522 V CA -0.091 62.341 62.300 0.219 0.000 0.848 522 V CB 1.698 33.663 31.823 0.237 0.000 0.990 522 V HN 1.165 nan 8.190 nan 0.000 0.430 523 G N 4.324 113.207 108.800 0.139 0.000 2.417 523 G HA2 0.637 4.600 3.960 0.005 0.000 0.320 523 G HA3 0.637 4.600 3.960 0.005 0.000 0.320 523 G C -1.512 173.453 174.900 0.109 0.000 1.204 523 G CA -0.450 44.713 45.100 0.106 0.000 0.923 523 G HN 0.531 nan 8.290 nan 0.000 0.466 524 L N 2.231 123.498 121.223 0.073 0.000 2.372 524 L HA 0.748 5.091 4.340 0.005 0.000 0.273 524 L C -0.356 176.523 176.870 0.016 0.000 0.989 524 L CA -0.464 54.415 54.840 0.064 0.000 0.841 524 L CB 1.654 43.752 42.059 0.065 0.000 1.225 524 L HN 0.415 nan 8.230 nan 0.000 0.414 525 S N 3.037 118.751 115.700 0.024 0.000 2.599 525 S HA 1.025 5.498 4.470 0.005 0.000 0.287 525 S C -1.013 173.564 174.600 -0.038 0.000 1.105 525 S CA -0.350 57.817 58.200 -0.054 0.000 0.899 525 S CB 1.976 65.119 63.200 -0.096 0.000 1.100 525 S HN 0.946 nan 8.310 nan 0.000 0.482 526 A N 1.348 124.097 122.820 -0.119 0.000 2.589 526 A HA 0.876 5.199 4.320 0.005 0.000 0.296 526 A C -0.834 176.622 177.584 -0.212 0.000 1.062 526 A CA -0.693 51.287 52.037 -0.095 0.000 0.686 526 A CB 1.393 20.376 19.000 -0.028 0.000 1.282 526 A HN 1.301 nan 8.150 nan 0.000 0.404 527 S N 0.690 116.291 115.700 -0.165 0.000 2.550 527 S HA 0.907 5.379 4.470 0.005 0.000 0.270 527 S C -0.904 173.619 174.600 -0.129 0.000 1.145 527 S CA -0.734 57.297 58.200 -0.281 0.000 0.852 527 S CB 1.783 64.777 63.200 -0.343 0.000 1.119 527 S HN 1.727 nan 8.310 nan 0.000 0.465 528 R N -0.183 120.220 120.500 -0.162 0.000 2.566 528 R HA 0.753 5.096 4.340 0.005 0.000 0.271 528 R C -1.591 174.718 176.300 0.015 0.000 1.071 528 R CA -0.671 55.426 56.100 -0.006 0.000 0.915 528 R CB 1.583 31.931 30.300 0.080 0.000 1.228 528 R HN 0.928 nan 8.270 nan 0.000 0.449 529 S N 1.639 117.426 115.700 0.146 0.000 2.557 529 S HA 0.403 4.876 4.470 0.005 0.000 0.291 529 S C -0.797 173.947 174.600 0.240 0.000 1.116 529 S CA -1.059 57.310 58.200 0.281 0.000 0.992 529 S CB 2.025 65.444 63.200 0.366 0.000 1.028 529 S HN 0.714 nan 8.310 nan 0.000 0.484 530 K N 2.769 123.325 120.400 0.261 0.000 2.423 530 K HA 0.326 4.649 4.320 0.005 0.000 0.234 530 K C -1.495 175.287 176.600 0.304 0.000 1.051 530 K CA -0.552 55.872 56.287 0.229 0.000 1.021 530 K CB 0.365 32.972 32.500 0.179 0.000 1.474 530 K HN 0.688 nan 8.250 nan 0.000 0.474 531 Y N 2.553 122.929 120.300 0.127 0.000 2.480 531 Y HA 0.166 4.719 4.550 0.005 0.000 0.323 531 Y C 0.865 176.809 175.900 0.075 0.000 1.267 531 Y CA -1.421 56.743 58.100 0.106 0.000 1.336 531 Y CB 0.872 39.390 38.460 0.096 0.000 1.361 531 Y HN 0.402 nan 8.280 nan 0.000 0.518 532 L N 1.214 122.191 121.223 -0.410 0.000 3.566 532 L HA 0.314 4.656 4.340 0.005 0.000 0.256 532 L C 0.225 177.024 176.870 -0.117 0.000 1.404 532 L CA 0.920 55.586 54.840 -0.289 0.000 1.080 532 L CB -1.789 40.001 42.059 -0.450 0.000 1.522 532 L HN 0.708 nan 8.230 nan 0.000 0.430 533 G N 0.832 109.640 108.800 0.013 0.000 3.453 533 G HA2 0.287 4.250 3.960 0.005 0.000 0.165 533 G HA3 0.287 4.250 3.960 0.005 0.000 0.165 533 G C -0.708 174.236 174.900 0.073 0.000 1.220 533 G CA -0.627 44.503 45.100 0.050 0.000 1.305 533 G HN 0.335 nan 8.290 nan 0.000 0.695 534 R N 0.985 121.544 120.500 0.098 0.000 2.541 534 R HA 0.527 4.870 4.340 0.005 0.000 0.254 534 R C -1.183 175.190 176.300 0.121 0.000 1.130 534 R CA -0.192 55.965 56.100 0.094 0.000 1.152 534 R CB 0.647 30.995 30.300 0.080 0.000 1.222 534 R HN 0.582 nan 8.270 nan 0.000 0.579 535 D N 0.249 120.711 120.400 0.104 0.000 2.256 535 D HA 0.196 4.839 4.640 0.005 0.000 0.240 535 D C -1.008 175.355 176.300 0.103 0.000 1.062 535 D CA -0.549 53.518 54.000 0.113 0.000 0.832 535 D CB 0.965 41.821 40.800 0.094 0.000 1.135 535 D HN 0.324 nan 8.370 nan 0.000 0.484 536 N N 2.320 121.091 118.700 0.118 0.000 2.479 536 N HA 0.153 4.896 4.740 0.005 0.000 0.261 536 N C -1.538 174.028 175.510 0.094 0.000 0.979 536 N CA -0.326 52.786 53.050 0.104 0.000 0.930 536 N CB 1.300 39.858 38.487 0.118 0.000 1.172 536 N HN 0.432 nan 8.380 nan 0.000 0.499 537 D N 1.459 121.905 120.400 0.076 0.000 2.278 537 D HA 0.454 5.097 4.640 0.005 0.000 0.245 537 D C -0.785 175.550 176.300 0.058 0.000 1.052 537 D CA -0.016 54.022 54.000 0.063 0.000 0.834 537 D CB 1.556 42.393 40.800 0.063 0.000 1.194 537 D HN 0.422 nan 8.370 nan 0.000 0.481 538 S N 0.310 116.036 115.700 0.043 0.000 2.651 538 S HA 0.889 5.362 4.470 0.005 0.000 0.279 538 S C -1.208 173.417 174.600 0.043 0.000 1.148 538 S CA -0.838 57.394 58.200 0.052 0.000 0.837 538 S CB 2.155 65.392 63.200 0.061 0.000 1.138 538 S HN 0.605 nan 8.310 nan 0.000 0.478 539 A N 0.910 123.771 122.820 0.068 0.000 2.566 539 A HA 0.730 5.053 4.320 0.005 0.000 0.297 539 A C -2.289 175.363 177.584 0.114 0.000 1.059 539 A CA -0.478 51.599 52.037 0.066 0.000 0.691 539 A CB 1.076 20.103 19.000 0.045 0.000 1.282 539 A HN 0.782 nan 8.150 nan 0.000 0.401 540 Y N 1.141 121.424 120.300 -0.027 0.000 2.406 540 Y HA 0.648 5.201 4.550 0.005 0.000 0.340 540 Y C -1.142 174.748 175.900 -0.017 0.000 0.975 540 Y CA -0.716 57.370 58.100 -0.024 0.000 1.056 540 Y CB 1.965 40.401 38.460 -0.040 0.000 1.210 540 Y HN 0.824 nan 8.280 nan 0.000 0.448 541 L N 7.002 128.170 121.223 -0.091 0.000 2.325 541 L HA 0.655 4.998 4.340 0.005 0.000 0.281 541 L C -1.259 175.616 176.870 0.008 0.000 1.004 541 L CA -0.442 54.403 54.840 0.008 0.000 0.823 541 L CB 1.052 43.098 42.059 -0.023 0.000 1.236 541 L HN 0.725 nan 8.230 nan 0.000 0.415 542 R N 6.570 127.158 120.500 0.147 0.000 2.532 542 R HA 0.608 4.951 4.340 0.005 0.000 0.297 542 R C -1.649 174.738 176.300 0.146 0.000 0.984 542 R CA -0.707 55.492 56.100 0.166 0.000 0.884 542 R CB 1.304 31.770 30.300 0.277 0.000 1.182 542 R HN 0.666 nan 8.270 nan 0.000 0.442 543 I N 1.767 122.424 120.570 0.145 0.000 2.404 543 I HA 0.407 4.580 4.170 0.005 0.000 0.293 543 I C -0.366 175.826 176.117 0.125 0.000 0.992 543 I CA -0.696 60.680 61.300 0.127 0.000 1.149 543 I CB 1.250 39.310 38.000 0.100 0.000 1.315 543 I HN 0.538 nan 8.210 nan 0.000 0.446 544 S N 5.058 120.827 115.700 0.114 0.000 2.594 544 S HA 0.673 5.146 4.470 0.005 0.000 0.296 544 S C -1.011 173.632 174.600 0.071 0.000 1.124 544 S CA -0.402 57.854 58.200 0.093 0.000 1.011 544 S CB 1.552 64.811 63.200 0.099 0.000 1.016 544 S HN 0.394 nan 8.310 nan 0.000 0.485 545 V N 7.592 127.536 119.914 0.049 0.000 2.334 545 V HA 0.477 4.600 4.120 0.005 0.000 0.281 545 V C -2.089 174.019 176.094 0.024 0.000 1.016 545 V CA -1.912 60.409 62.300 0.036 0.000 0.832 545 V CB 1.387 33.227 31.823 0.029 0.000 0.999 545 V HN 0.766 nan 8.190 nan 0.000 0.439 546 P HA 0.088 nan 4.420 nan 0.000 0.266 546 P C -0.536 176.781 177.300 0.029 0.000 1.215 546 P CA -0.076 63.021 63.100 -0.005 0.000 0.763 546 P CB 1.368 33.046 31.700 -0.036 0.000 0.806 547 L N 3.771 125.019 121.223 0.041 0.000 2.783 547 L HA 0.521 4.864 4.340 0.005 0.000 0.265 547 L C 0.609 177.545 176.870 0.111 0.000 1.398 547 L CA 0.522 55.419 54.840 0.095 0.000 0.802 547 L CB 0.129 42.282 42.059 0.157 0.000 1.126 547 L HN 0.776 nan 8.230 nan 0.000 0.529 548 G N 0.596 109.444 108.800 0.079 0.000 2.964 548 G HA2 -0.296 3.667 3.960 0.005 0.000 0.229 548 G HA3 -0.296 3.667 3.960 0.005 0.000 0.229 548 G C 0.544 175.488 174.900 0.074 0.000 1.395 548 G CA 0.276 45.428 45.100 0.086 0.000 1.060 548 G HN 0.434 nan 8.290 nan 0.000 0.568 549 T N 0.965 115.578 114.554 0.099 0.000 3.001 549 T HA 0.527 4.880 4.350 0.005 0.000 0.251 549 T C 1.171 175.916 174.700 0.074 0.000 1.040 549 T CA 1.606 63.761 62.100 0.093 0.000 0.985 549 T CB -0.586 68.361 68.868 0.132 0.000 1.011 549 T HN 1.578 nan 8.240 nan 0.000 0.509 550 G N 0.117 108.955 108.800 0.064 0.000 2.552 550 G HA2 0.557 4.520 3.960 0.005 0.000 0.318 550 G HA3 0.557 4.520 3.960 0.005 0.000 0.318 550 G C -0.906 173.865 174.900 -0.214 0.000 1.240 550 G CA -0.295 44.731 45.100 -0.124 0.000 1.002 550 G HN 0.333 nan 8.290 nan 0.000 0.493 551 T N -2.244 112.030 114.554 -0.466 0.000 2.982 551 T HA 0.635 4.988 4.350 0.005 0.000 0.321 551 T C -0.694 173.840 174.700 -0.278 0.000 1.229 551 T CA 0.085 62.037 62.100 -0.248 0.000 1.044 551 T CB 1.300 70.094 68.868 -0.125 0.000 1.184 551 T HN 1.349 nan 8.240 nan 0.000 0.477 552 A N 2.771 125.561 122.820 -0.050 0.000 2.312 552 A HA 0.934 5.257 4.320 0.005 0.000 0.328 552 A C 0.118 177.741 177.584 0.066 0.000 1.158 552 A CA -0.345 51.732 52.037 0.067 0.000 0.821 552 A CB 0.959 20.056 19.000 0.162 0.000 1.170 552 A HN 1.783 nan 8.150 nan 0.000 0.490 553 S N 0.435 116.193 115.700 0.097 0.000 2.537 553 S HA 0.609 5.082 4.470 0.005 0.000 0.270 553 S C -1.394 173.302 174.600 0.160 0.000 1.142 553 S CA -0.564 57.704 58.200 0.114 0.000 0.870 553 S CB 1.037 64.287 63.200 0.083 0.000 1.112 553 S HN 1.126 nan 8.310 nan 0.000 0.466 554 Y N 1.604 121.923 120.300 0.032 0.000 2.350 554 Y HA 0.689 5.242 4.550 0.005 0.000 0.338 554 Y C -0.845 175.057 175.900 0.004 0.000 0.961 554 Y CA -0.251 57.856 58.100 0.013 0.000 1.100 554 Y CB 1.986 40.441 38.460 -0.007 0.000 1.179 554 Y HN 0.903 nan 8.280 nan 0.000 0.454 555 S N 3.541 118.950 115.700 -0.485 0.000 2.482 555 S HA 0.777 5.250 4.470 0.005 0.000 0.303 555 S C -0.323 173.878 174.600 -0.665 0.000 1.091 555 S CA -0.712 57.234 58.200 -0.423 0.000 1.057 555 S CB 1.758 64.838 63.200 -0.201 0.000 1.031 555 S HN 1.005 nan 8.310 nan 0.000 0.485 556 G N 0.668 109.120 108.800 -0.580 0.000 2.487 556 G HA2 0.580 4.543 3.960 0.005 0.000 0.314 556 G HA3 0.580 4.543 3.960 0.005 0.000 0.314 556 G C -0.595 173.958 174.900 -0.578 0.000 1.267 556 G CA -0.403 44.435 45.100 -0.436 0.000 0.937 556 G HN 0.626 nan 8.290 nan 0.000 0.481 560 N N 2.714 121.447 118.700 0.055 0.000 1.424 560 N HA -0.198 4.545 4.740 0.005 0.000 0.147 560 N C -0.497 175.032 175.510 0.031 0.000 0.709 560 N CA 1.949 55.026 53.050 0.045 0.000 1.052 560 N CB -0.773 37.735 38.487 0.035 0.000 1.281 560 N HN 0.664 nan 8.380 nan 0.000 0.478 561 D N 1.525 121.918 120.400 -0.010 0.000 2.722 561 D HA 0.297 4.939 4.640 0.005 0.000 0.239 561 D C -0.697 175.464 176.300 -0.232 0.000 1.249 561 D CA 0.258 54.219 54.000 -0.064 0.000 0.830 561 D CB -0.064 40.711 40.800 -0.042 0.000 1.025 561 D HN 0.199 nan 8.370 nan 0.000 0.486 562 R N 0.423 120.782 120.500 -0.234 0.000 2.514 562 R HA 0.334 4.677 4.340 0.005 0.000 0.296 562 R C -0.997 175.144 176.300 -0.265 0.000 1.012 562 R CA -0.778 55.107 56.100 -0.358 0.000 0.897 562 R CB 1.268 31.474 30.300 -0.157 0.000 1.184 562 R HN -0.037 nan 8.270 nan 0.000 0.440 563 Y N -0.157 120.144 120.300 0.001 0.000 2.534 563 Y HA 0.808 5.361 4.550 0.005 0.000 0.329 563 Y C 0.005 175.888 175.900 -0.029 0.000 1.154 563 Y CA -1.483 56.605 58.100 -0.019 0.000 1.192 563 Y CB 1.026 39.470 38.460 -0.027 0.000 1.275 563 Y HN 0.054 nan 8.280 nan 0.000 0.491 564 V N 1.877 121.856 119.914 0.108 0.000 2.709 564 V HA 0.394 4.517 4.120 0.005 0.000 0.308 564 V C -0.763 175.287 176.094 -0.073 0.000 1.062 564 V CA -0.999 61.311 62.300 0.017 0.000 0.901 564 V CB 1.693 33.512 31.823 -0.006 0.000 1.003 564 V HN 0.828 nan 8.190 nan 0.000 0.425 568 G N 0.085 108.949 108.800 0.107 0.000 2.720 568 G HA2 0.630 4.593 3.960 0.005 0.000 0.295 568 G HA3 0.630 4.593 3.960 0.005 0.000 0.295 568 G C -1.920 173.078 174.900 0.163 0.000 1.437 568 G CA -0.510 44.660 45.100 0.116 0.000 0.886 568 G HN 1.477 nan 8.290 nan 0.000 0.509 569 Y N 0.630 120.962 120.300 0.052 0.000 2.393 569 Y HA 0.748 5.301 4.550 0.005 0.000 0.341 569 Y C -0.233 175.704 175.900 0.061 0.000 0.988 569 Y CA -0.681 57.457 58.100 0.063 0.000 1.078 569 Y CB 2.731 41.233 38.460 0.070 0.000 1.203 569 Y HN 0.623 nan 8.280 nan 0.000 0.453 570 T N 5.070 119.365 114.554 -0.432 0.000 2.949 570 T HA 0.272 4.624 4.350 0.005 0.000 0.300 570 T C -2.032 172.472 174.700 -0.327 0.000 0.988 570 T CA -0.645 61.327 62.100 -0.214 0.000 0.993 570 T CB 0.417 69.223 68.868 -0.103 0.000 0.984 570 T HN 0.725 nan 8.240 nan 0.000 0.442 571 D N 3.679 124.072 120.400 -0.012 0.000 2.344 571 D HA 0.488 5.131 4.640 0.005 0.000 0.239 571 D C 0.339 176.807 176.300 0.281 0.000 1.064 571 D CA -0.177 53.909 54.000 0.143 0.000 0.829 571 D CB 1.573 42.627 40.800 0.424 0.000 1.129 571 D HN 0.610 nan 8.370 nan 0.000 0.506 572 T N 0.724 115.380 114.554 0.170 0.000 2.934 572 T HA 0.759 5.112 4.350 0.005 0.000 0.283 572 T C -0.011 174.832 174.700 0.237 0.000 1.005 572 T CA -0.578 61.566 62.100 0.072 0.000 1.041 572 T CB 0.731 69.591 68.868 -0.013 0.000 1.042 572 T HN 0.412 nan 8.240 nan 0.000 0.505 573 F N -0.807 119.204 119.950 0.101 0.000 3.052 573 F HA 0.691 5.221 4.527 0.005 0.000 0.323 573 F C 0.359 176.209 175.800 0.085 0.000 1.178 573 F CA -1.338 56.719 58.000 0.096 0.000 0.892 573 F CB 0.192 39.262 39.000 0.117 0.000 1.416 573 F HN 0.618 nan 8.300 nan 0.000 0.488 574 N N -0.059 118.848 118.700 0.345 0.000 2.936 574 N HA -0.213 4.530 4.740 0.005 0.000 0.236 574 N C -0.219 175.342 175.510 0.086 0.000 0.930 574 N CA 1.975 55.153 53.050 0.213 0.000 0.966 574 N CB -0.738 37.862 38.487 0.189 0.000 1.090 574 N HN 1.093 nan 8.380 nan 0.000 0.592 575 D N -5.119 115.320 120.400 0.063 0.000 3.641 575 D HA -0.005 4.638 4.640 0.005 0.000 0.227 575 D C 0.614 176.910 176.300 -0.007 0.000 0.592 575 D CA 1.607 55.621 54.000 0.024 0.000 1.718 575 D CB -1.320 39.483 40.800 0.006 0.000 1.217 575 D HN 0.296 nan 8.370 nan 0.000 0.637 576 G N -0.537 108.235 108.800 -0.047 0.000 4.596 576 G HA2 0.321 4.284 3.960 0.005 0.000 0.276 576 G HA3 0.321 4.284 3.960 0.005 0.000 0.276 576 G C 0.405 175.225 174.900 -0.133 0.000 1.013 576 G CA 0.115 45.167 45.100 -0.080 0.000 0.778 576 G HN 0.221 nan 8.290 nan 0.000 0.389 577 L N 0.296 121.424 121.223 -0.158 0.000 2.341 577 L HA 0.340 4.682 4.340 0.005 0.000 0.214 577 L C -0.061 176.626 176.870 -0.304 0.000 1.115 577 L CA 0.260 54.969 54.840 -0.219 0.000 0.820 577 L CB -0.751 41.168 42.059 -0.233 0.000 0.944 577 L HN -0.011 nan 8.230 nan 0.000 0.452 578 D N -0.762 119.419 120.400 -0.365 0.000 2.340 578 D HA 0.692 5.335 4.640 0.005 0.000 0.240 578 D C -0.071 175.732 176.300 -0.828 0.000 1.001 578 D CA -0.136 53.531 54.000 -0.554 0.000 0.888 578 D CB 2.196 42.665 40.800 -0.551 0.000 1.310 578 D HN 0.051 nan 8.370 nan 0.000 0.474 579 S N 0.082 115.438 115.700 -0.573 0.000 2.586 579 S HA 0.477 4.950 4.470 0.005 0.000 0.277 579 S C -2.054 172.732 174.600 0.311 0.000 1.131 579 S CA -0.989 57.081 58.200 -0.218 0.000 0.848 579 S CB 0.819 63.964 63.200 -0.092 0.000 1.091 579 S HN 0.362 nan 8.310 nan 0.000 0.453 580 Y N 1.891 122.401 120.300 0.350 0.000 2.373 580 Y HA 0.658 5.211 4.550 0.005 0.000 0.327 580 Y C -0.215 175.872 175.900 0.312 0.000 1.036 580 Y CA -0.422 57.929 58.100 0.419 0.000 1.265 580 Y CB 1.668 40.428 38.460 0.500 0.000 1.108 580 Y HN 1.039 nan 8.280 nan 0.000 0.471 581 S N 6.323 121.939 115.700 -0.139 0.000 2.554 581 S HA 0.699 5.172 4.470 0.005 0.000 0.278 581 S C -1.344 173.105 174.600 -0.250 0.000 1.242 581 S CA -0.547 57.590 58.200 -0.106 0.000 1.051 581 S CB 0.696 63.895 63.200 -0.001 0.000 0.986 581 S HN 0.759 nan 8.310 nan 0.000 0.502 582 L N 5.003 126.186 121.223 -0.067 0.000 2.404 582 L HA 0.590 4.933 4.340 0.005 0.000 0.272 582 L C -1.272 175.633 176.870 0.058 0.000 0.980 582 L CA -0.460 54.370 54.840 -0.017 0.000 0.836 582 L CB 1.282 43.381 42.059 0.066 0.000 1.238 582 L HN 0.750 nan 8.230 nan 0.000 0.408 583 N N 3.808 122.539 118.700 0.052 0.000 2.240 583 N HA 0.813 5.555 4.740 0.005 0.000 0.302 583 N C -1.241 174.301 175.510 0.053 0.000 1.106 583 N CA -0.590 52.495 53.050 0.058 0.000 0.778 583 N CB 2.512 41.029 38.487 0.050 0.000 1.431 583 N HN 0.549 nan 8.380 nan 0.000 0.479 584 A N -0.014 122.835 122.820 0.048 0.000 2.454 584 A HA 0.977 5.300 4.320 0.005 0.000 0.302 584 A C -0.232 177.366 177.584 0.023 0.000 1.079 584 A CA -0.441 51.618 52.037 0.037 0.000 0.731 584 A CB 1.993 21.019 19.000 0.043 0.000 1.299 584 A HN 0.815 nan 8.150 nan 0.000 0.413 585 G N -0.819 107.989 108.800 0.014 0.000 2.349 585 G HA2 0.536 4.499 3.960 0.005 0.000 0.294 585 G HA3 0.536 4.499 3.960 0.005 0.000 0.294 585 G C -2.203 172.699 174.900 0.002 0.000 1.380 585 G CA -0.621 44.479 45.100 0.001 0.000 0.811 585 G HN 0.884 nan 8.290 nan 0.000 0.519 586 L N 0.690 121.916 121.223 0.004 0.000 2.365 586 L HA 0.532 4.874 4.340 0.005 0.000 0.273 586 L C -0.919 175.961 176.870 0.017 0.000 1.000 586 L CA -1.121 53.726 54.840 0.011 0.000 0.819 586 L CB 2.353 44.427 42.059 0.025 0.000 1.284 586 L HN 0.453 nan 8.230 nan 0.000 0.418 587 N N 1.116 119.822 118.700 0.010 0.000 2.400 587 N HA 0.421 5.164 4.740 0.005 0.000 0.288 587 N C -0.958 174.551 175.510 -0.001 0.000 1.024 587 N CA -0.560 52.494 53.050 0.008 0.000 0.894 587 N CB 1.940 40.428 38.487 0.002 0.000 1.173 587 N HN 0.464 nan 8.380 nan 0.000 0.487 588 S N -0.736 114.958 115.700 -0.009 0.000 2.399 588 S HA 0.512 4.985 4.470 0.005 0.000 0.215 588 S C 0.323 174.792 174.600 -0.218 0.000 1.456 588 S CA -1.037 57.148 58.200 -0.024 0.000 1.199 588 S CB 0.406 63.684 63.200 0.130 0.000 1.063 588 S HN 0.539 nan 8.310 nan 0.000 0.476 589 G N 1.222 109.915 108.800 -0.179 0.000 2.390 589 G HA2 0.533 4.496 3.960 0.005 0.000 0.270 589 G HA3 0.533 4.496 3.960 0.005 0.000 0.270 589 G C 0.560 175.349 174.900 -0.186 0.000 1.211 589 G CA -0.545 44.416 45.100 -0.233 0.000 0.842 589 G HN 0.928 nan 8.290 nan 0.000 0.519 590 G N -0.171 108.500 108.800 -0.216 0.000 2.178 590 G HA2 0.473 4.435 3.960 0.005 0.000 0.244 590 G HA3 0.473 4.435 3.960 0.005 0.000 0.244 590 G C 1.209 176.080 174.900 -0.048 0.000 1.213 590 G CA 0.744 45.781 45.100 -0.105 0.000 0.912 590 G HN 1.975 nan 8.290 nan 0.000 0.474 591 G N 1.910 110.700 108.800 -0.017 0.000 4.391 591 G HA2 -0.227 3.736 3.960 0.005 0.000 0.210 591 G HA3 -0.227 3.736 3.960 0.005 0.000 0.210 591 G C 0.286 175.184 174.900 -0.004 0.000 1.547 591 G CA 0.193 45.290 45.100 -0.005 0.000 1.103 591 G HN 0.916 nan 8.290 nan 0.000 0.637 592 L N 0.660 121.873 121.223 -0.015 0.000 2.301 592 L HA 0.690 5.033 4.340 0.005 0.000 0.264 592 L C 0.542 177.402 176.870 -0.017 0.000 1.016 592 L CA -0.547 54.286 54.840 -0.011 0.000 0.821 592 L CB 2.205 44.258 42.059 -0.010 0.000 1.346 592 L HN 0.405 nan 8.230 nan 0.000 0.429 593 T N 0.544 115.089 114.554 -0.015 0.000 2.907 593 T HA 0.143 4.496 4.350 0.005 0.000 0.298 593 T C 0.106 174.794 174.700 -0.020 0.000 1.017 593 T CA -0.497 61.596 62.100 -0.012 0.000 1.118 593 T CB 0.388 69.249 68.868 -0.011 0.000 0.948 593 T HN 0.633 nan 8.240 nan 0.000 0.531 594 S N 5.068 120.763 115.700 -0.009 0.000 2.525 594 S HA 0.173 4.646 4.470 0.005 0.000 0.285 594 S C 0.121 174.707 174.600 -0.023 0.000 1.283 594 S CA -0.634 57.561 58.200 -0.008 0.000 1.072 594 S CB 0.256 63.465 63.200 0.014 0.000 0.867 594 S HN 0.736 nan 8.310 nan 0.000 0.492 595 Q N 1.582 121.361 119.800 -0.035 0.000 2.212 595 Q HA 0.478 4.820 4.340 0.005 0.000 0.238 595 Q C -0.074 175.902 176.000 -0.040 0.000 0.955 595 Q CA -0.671 55.099 55.803 -0.054 0.000 0.906 595 Q CB 1.054 29.749 28.738 -0.072 0.000 1.215 595 Q HN 0.624 nan 8.270 nan 0.000 0.478 596 R N 0.844 121.313 120.500 -0.051 0.000 2.562 596 R HA 0.247 4.590 4.340 0.005 0.000 0.298 596 R C -1.237 175.031 176.300 -0.054 0.000 0.961 596 R CA -0.310 55.768 56.100 -0.037 0.000 0.881 596 R CB 1.503 31.786 30.300 -0.028 0.000 1.159 596 R HN 0.541 nan 8.270 nan 0.000 0.450 597 Q N 4.320 124.098 119.800 -0.036 0.000 2.337 597 Q HA 0.437 4.780 4.340 0.005 0.000 0.266 597 Q C -1.214 174.777 176.000 -0.015 0.000 1.023 597 Q CA -0.808 54.969 55.803 -0.043 0.000 0.829 597 Q CB 1.447 30.172 28.738 -0.021 0.000 1.306 597 Q HN 0.420 nan 8.270 nan 0.000 0.449 598 I N 3.413 123.973 120.570 -0.017 0.000 2.608 598 I HA 0.521 4.693 4.170 0.005 0.000 0.295 598 I C -0.699 175.440 176.117 0.037 0.000 1.049 598 I CA -0.569 60.740 61.300 0.016 0.000 1.063 598 I CB 1.832 39.841 38.000 0.014 0.000 1.248 598 I HN 0.740 nan 8.210 nan 0.000 0.424 599 N N 4.304 123.042 118.700 0.063 0.000 2.636 599 N HA 0.689 5.432 4.740 0.005 0.000 0.261 599 N C -2.252 173.317 175.510 0.098 0.000 1.195 599 N CA -0.352 52.756 53.050 0.097 0.000 0.902 599 N CB 2.568 41.117 38.487 0.102 0.000 1.627 599 N HN 0.685 nan 8.380 nan 0.000 0.491 600 A N 1.839 124.739 122.820 0.132 0.000 2.449 600 A HA 0.691 5.014 4.320 0.005 0.000 0.302 600 A C -2.201 175.487 177.584 0.173 0.000 1.048 600 A CA -0.522 51.562 52.037 0.079 0.000 0.708 600 A CB 1.317 20.382 19.000 0.109 0.000 1.274 600 A HN 0.625 nan 8.150 nan 0.000 0.410 601 Y N 0.923 121.171 120.300 -0.087 0.000 2.406 601 Y HA 0.587 5.140 4.550 0.005 0.000 0.340 601 Y C -1.643 174.332 175.900 0.126 0.000 0.975 601 Y CA -0.644 57.483 58.100 0.046 0.000 1.056 601 Y CB 1.950 40.418 38.460 0.013 0.000 1.210 601 Y HN 0.771 nan 8.280 nan 0.000 0.448 602 Y N 5.032 125.293 120.300 -0.064 0.000 2.361 602 Y HA 0.644 5.197 4.550 0.005 0.000 0.337 602 Y C -1.303 174.590 175.900 -0.011 0.000 0.965 602 Y CA -0.922 57.317 58.100 0.232 0.000 1.091 602 Y CB 1.645 40.357 38.460 0.419 0.000 1.182 602 Y HN 0.525 nan 8.280 nan 0.000 0.450 603 S N 4.865 120.253 115.700 -0.521 0.000 2.614 603 S HA 0.440 4.913 4.470 0.005 0.000 0.288 603 S C -1.886 172.391 174.600 -0.538 0.000 1.137 603 S CA -0.623 57.276 58.200 -0.501 0.000 0.992 603 S CB 0.948 64.083 63.200 -0.108 0.000 1.026 603 S HN 0.927 nan 8.310 nan 0.000 0.486 604 H N 2.253 120.986 119.070 -0.562 0.000 2.489 604 H HA 0.637 5.196 4.556 0.005 0.000 0.343 604 H C -0.545 174.683 175.328 -0.166 0.000 1.086 604 H CA -0.604 55.261 56.048 -0.305 0.000 1.198 604 H CB 1.061 30.718 29.762 -0.175 0.000 1.490 604 H HN 0.664 nan 8.280 nan 0.000 0.504 605 R N 3.910 124.060 120.500 -0.583 0.000 2.467 605 R HA 0.281 4.624 4.340 0.005 0.000 0.299 605 R C -1.261 174.794 176.300 -0.408 0.000 1.120 605 R CA -0.526 55.350 56.100 -0.373 0.000 0.940 605 R CB 1.231 31.399 30.300 -0.218 0.000 1.161 605 R HN 0.801 nan 8.270 nan 0.000 0.506 606 S N 2.038 117.563 115.700 -0.292 0.000 2.513 606 S HA 0.483 4.955 4.470 0.005 0.000 0.299 606 S C -1.639 172.918 174.600 -0.072 0.000 1.087 606 S CA -1.363 56.744 58.200 -0.154 0.000 1.012 606 S CB 2.293 65.475 63.200 -0.029 0.000 1.044 606 S HN 0.271 nan 8.310 nan 0.000 0.485 607 P HA -0.180 nan 4.420 nan 0.000 0.216 607 P C 1.471 178.752 177.300 -0.033 0.000 1.157 607 P CA 0.985 64.061 63.100 -0.039 0.000 0.880 607 P CB 0.013 31.698 31.700 -0.025 0.000 0.791 608 L N -1.881 119.337 121.223 -0.008 0.000 2.478 608 L HA 0.332 4.675 4.340 0.005 0.000 0.223 608 L C 0.630 177.499 176.870 -0.002 0.000 1.140 608 L CA 0.519 55.359 54.840 0.000 0.000 0.842 608 L CB -0.648 41.429 42.059 0.030 0.000 0.953 608 L HN -0.007 nan 8.230 nan 0.000 0.452 609 A N -0.570 122.256 122.820 0.010 0.000 2.512 609 A HA 0.629 4.952 4.320 0.005 0.000 0.294 609 A C -1.129 176.494 177.584 0.065 0.000 1.054 609 A CA -0.763 51.296 52.037 0.037 0.000 0.756 609 A CB 0.524 19.595 19.000 0.119 0.000 1.293 609 A HN 0.131 nan 8.150 nan 0.000 0.395 610 N N 0.074 118.787 118.700 0.022 0.000 2.471 610 N HA 0.927 5.670 4.740 0.005 0.000 0.288 610 N C -0.957 174.598 175.510 0.076 0.000 1.220 610 N CA -0.432 52.634 53.050 0.028 0.000 0.893 610 N CB 1.997 40.455 38.487 -0.049 0.000 1.256 610 N HN 0.925 nan 8.380 nan 0.000 0.534 611 L N -0.596 120.660 121.223 0.056 0.000 2.789 611 L HA 0.594 4.937 4.340 0.005 0.000 0.254 611 L C -1.700 175.137 176.870 -0.055 0.000 0.952 611 L CA -0.291 54.575 54.840 0.043 0.000 0.942 611 L CB 1.407 43.529 42.059 0.106 0.000 1.502 611 L HN 0.772 nan 8.230 nan 0.000 0.425 612 S N 2.274 117.931 115.700 -0.072 0.000 2.548 612 S HA 0.938 5.411 4.470 0.005 0.000 0.278 612 S C -1.015 173.514 174.600 -0.118 0.000 1.150 612 S CA -0.188 57.901 58.200 -0.184 0.000 0.907 612 S CB 1.565 64.604 63.200 -0.268 0.000 1.108 612 S HN 1.138 nan 8.310 nan 0.000 0.459 613 A N 1.743 124.546 122.820 -0.028 0.000 2.380 613 A HA 0.953 5.276 4.320 0.005 0.000 0.315 613 A C -0.496 177.054 177.584 -0.058 0.000 1.101 613 A CA -0.790 51.251 52.037 0.007 0.000 0.771 613 A CB 1.303 20.461 19.000 0.263 0.000 1.287 613 A HN 1.409 nan 8.150 nan 0.000 0.436 614 N N 0.099 118.789 118.700 -0.016 0.000 2.431 614 N HA 0.492 5.234 4.740 0.005 0.000 0.275 614 N C -1.609 174.058 175.510 0.262 0.000 1.091 614 N CA -0.562 52.540 53.050 0.088 0.000 0.922 614 N CB 1.608 40.105 38.487 0.017 0.000 1.666 614 N HN 0.722 nan 8.380 nan 0.000 0.484 615 I N 1.527 122.290 120.570 0.321 0.000 2.647 615 I HA 0.910 5.083 4.170 0.005 0.000 0.295 615 I C -1.459 174.801 176.117 0.239 0.000 1.078 615 I CA -0.432 61.071 61.300 0.338 0.000 1.048 615 I CB 1.334 39.526 38.000 0.319 0.000 1.239 615 I HN 0.985 nan 8.210 nan 0.000 0.421 616 A N 4.581 127.533 122.820 0.219 0.000 2.599 616 A HA 0.880 5.203 4.320 0.005 0.000 0.290 616 A C -1.433 176.196 177.584 0.074 0.000 1.101 616 A CA -0.195 51.938 52.037 0.160 0.000 0.674 616 A CB 1.589 20.722 19.000 0.222 0.000 1.277 616 A HN 1.080 nan 8.150 nan 0.000 0.419 617 S N -0.000 115.652 115.700 -0.079 0.000 2.584 617 S HA 0.575 5.048 4.470 0.005 0.000 0.280 617 S C -1.300 173.079 174.600 -0.367 0.000 1.162 617 S CA -0.491 57.556 58.200 -0.254 0.000 0.951 617 S CB 0.735 63.877 63.200 -0.096 0.000 1.108 617 S HN 1.111 nan 8.310 nan 0.000 0.464 618 L N 2.987 123.821 121.223 -0.647 0.000 2.289 618 L HA 0.458 4.801 4.340 0.005 0.000 0.285 618 L C 0.482 177.202 176.870 -0.249 0.000 1.049 618 L CA -0.545 54.028 54.840 -0.445 0.000 0.804 618 L CB 1.625 43.349 42.059 -0.557 0.000 1.195 618 L HN 0.994 nan 8.230 nan 0.000 0.428 619 Q N 4.973 124.675 119.800 -0.164 0.000 2.286 619 Q HA -0.055 4.287 4.340 0.005 0.000 0.290 619 Q C 0.285 176.159 176.000 -0.211 0.000 1.049 619 Q CA 0.474 56.193 55.803 -0.139 0.000 0.923 619 Q CB 0.452 29.130 28.738 -0.100 0.000 1.183 619 Q HN 0.594 nan 8.270 nan 0.000 0.383 620 K N 1.622 121.841 120.400 -0.301 0.000 3.104 620 K HA -0.312 4.010 4.320 0.005 0.000 0.285 620 K C 0.459 176.776 176.600 -0.473 0.000 1.136 620 K CA 0.715 56.556 56.287 -0.745 0.000 0.842 620 K CB -1.208 30.865 32.500 -0.712 0.000 1.217 620 K HN 0.934 nan 8.250 nan 0.000 0.467 621 G N -0.277 108.412 108.800 -0.185 0.000 2.606 621 G HA2 0.371 4.334 3.960 0.005 0.000 0.213 621 G HA3 0.371 4.334 3.960 0.005 0.000 0.213 621 G C 0.079 175.076 174.900 0.162 0.000 2.020 621 G CA 0.614 45.702 45.100 -0.020 0.000 0.814 621 G HN 0.299 nan 8.290 nan 0.000 0.685 622 Y N -2.425 117.919 120.300 0.072 0.000 2.896 622 Y HA 0.761 5.314 4.550 0.005 0.000 0.317 622 Y C -0.870 175.080 175.900 0.083 0.000 1.444 622 Y CA -0.862 57.292 58.100 0.090 0.000 1.084 622 Y CB 1.425 39.928 38.460 0.071 0.000 1.382 622 Y HN 0.380 nan 8.280 nan 0.000 0.471 623 T N 1.346 116.094 114.554 0.322 0.000 4.054 623 T HA 0.532 4.885 4.350 0.005 0.000 0.353 623 T C -1.674 173.191 174.700 0.276 0.000 0.979 623 T CA -0.128 62.089 62.100 0.195 0.000 1.047 623 T CB -0.084 68.839 68.868 0.092 0.000 1.121 623 T HN 1.325 nan 8.240 nan 0.000 0.469 624 S N 3.805 119.699 115.700 0.322 0.000 2.634 624 S HA 0.947 5.419 4.470 0.005 0.000 0.296 624 S C -1.305 173.479 174.600 0.306 0.000 1.104 624 S CA -0.902 57.454 58.200 0.261 0.000 0.920 624 S CB 2.122 65.445 63.200 0.204 0.000 1.111 624 S HN 0.738 nan 8.310 nan 0.000 0.493 625 F N 0.307 120.304 119.950 0.079 0.000 2.573 625 F HA 0.751 5.281 4.527 0.005 0.000 0.316 625 F C -0.308 175.528 175.800 0.060 0.000 1.148 625 F CA -0.184 57.859 58.000 0.072 0.000 0.940 625 F CB 1.456 40.490 39.000 0.057 0.000 1.214 625 F HN 1.066 nan 8.300 nan 0.000 0.448 626 G N 3.832 112.339 108.800 -0.488 0.000 2.619 626 G HA2 0.683 4.645 3.960 0.005 0.000 0.296 626 G HA3 0.683 4.645 3.960 0.005 0.000 0.296 626 G C -2.349 172.212 174.900 -0.565 0.000 1.334 626 G CA -0.943 43.876 45.100 -0.468 0.000 0.934 626 G HN 0.671 nan 8.290 nan 0.000 0.476 627 V N 0.199 119.883 119.914 -0.383 0.000 3.007 627 V HA 0.843 4.966 4.120 0.005 0.000 0.311 627 V C -0.383 175.646 176.094 -0.108 0.000 1.120 627 V CA -0.720 61.433 62.300 -0.245 0.000 0.980 627 V CB 2.313 34.011 31.823 -0.207 0.000 1.033 627 V HN 1.336 nan 8.190 nan 0.000 0.429 628 S N 1.754 117.413 115.700 -0.068 0.000 2.649 628 S HA 0.902 5.375 4.470 0.005 0.000 0.274 628 S C -0.813 173.787 174.600 -0.001 0.000 1.176 628 S CA -0.172 58.008 58.200 -0.032 0.000 0.988 628 S CB 1.664 64.826 63.200 -0.065 0.000 1.071 628 S HN 1.554 nan 8.310 nan 0.000 0.478 629 A N 2.245 125.099 122.820 0.057 0.000 2.423 629 A HA 1.011 5.334 4.320 0.005 0.000 0.304 629 A C -0.237 177.418 177.584 0.118 0.000 1.104 629 A CA -0.730 51.371 52.037 0.107 0.000 0.757 629 A CB 1.698 20.807 19.000 0.182 0.000 1.313 629 A HN 2.016 nan 8.150 nan 0.000 0.423 630 S N -0.295 115.415 115.700 0.017 0.000 2.562 630 S HA 0.842 5.314 4.470 0.005 0.000 0.274 630 S C -0.370 173.911 174.600 -0.531 0.000 1.160 630 S CA -0.073 57.974 58.200 -0.255 0.000 0.933 630 S CB 1.135 64.219 63.200 -0.193 0.000 1.100 630 S HN 2.259 nan 8.310 nan 0.000 0.468 631 G N 0.062 108.061 108.800 -1.335 0.000 2.606 631 G HA2 0.753 4.715 3.960 0.005 0.000 0.300 631 G HA3 0.753 4.715 3.960 0.005 0.000 0.300 631 G C -0.759 173.725 174.900 -0.693 0.000 1.360 631 G CA -0.319 44.267 45.100 -0.856 0.000 0.783 631 G HN 1.191 nan 8.290 nan 0.000 0.484 632 G N -0.746 107.939 108.800 -0.191 0.000 2.487 632 G HA2 0.781 4.744 3.960 0.005 0.000 0.314 632 G HA3 0.781 4.744 3.960 0.005 0.000 0.314 632 G C -0.088 174.883 174.900 0.119 0.000 1.267 632 G CA 0.597 45.686 45.100 -0.017 0.000 0.937 632 G HN 1.211 nan 8.290 nan 0.000 0.481 633 A N 1.732 124.665 122.820 0.189 0.000 2.263 633 A HA 0.922 5.245 4.320 0.005 0.000 0.318 633 A C 0.078 177.728 177.584 0.109 0.000 1.111 633 A CA -0.685 51.453 52.037 0.168 0.000 0.901 633 A CB 1.878 20.994 19.000 0.194 0.000 1.280 633 A HN 0.990 nan 8.150 nan 0.000 0.503 634 T N 0.597 115.202 114.554 0.086 0.000 2.949 634 T HA 0.548 4.900 4.350 0.005 0.000 0.300 634 T C -0.846 173.888 174.700 0.057 0.000 0.988 634 T CA -0.418 61.722 62.100 0.067 0.000 0.993 634 T CB -0.186 68.713 68.868 0.051 0.000 0.984 634 T HN 0.737 nan 8.240 nan 0.000 0.442 635 I N 2.849 123.454 120.570 0.057 0.000 2.377 635 I HA 0.774 4.947 4.170 0.005 0.000 0.293 635 I C 0.176 176.315 176.117 0.036 0.000 0.987 635 I CA -0.718 60.610 61.300 0.048 0.000 1.185 635 I CB 1.821 39.855 38.000 0.057 0.000 1.341 635 I HN 0.530 nan 8.210 nan 0.000 0.455 636 T N 0.000 114.570 114.554 0.027 0.000 3.816 636 T HA 0.000 4.353 4.350 0.005 0.000 0.228 636 T CA 0.000 62.112 62.100 0.020 0.000 1.349 636 T CB 0.000 68.879 68.868 0.018 0.000 0.612 636 T HN 0.000 nan 8.240 nan 0.000 0.658