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 3fby_1_C DATA FIRST_RESID 223 DATA SEQUENCE NSAQRFcPDG SPSEcHEHAD cVLERDGSRS cVcAVGWAGN GILcGRDTDL DATA SEQUENCE DGFPDEKLRc PERQcRKDNc VTVPNSGQED VDRDGIGDAc DPDADGDGVP DATA SEQUENCE NEKDNcPLVR NPDQRNTDED KWGDAcDNcR SQKNDDQKDT DQDGRGDAcD DATA SEQUENCE DDIDGDRIRN QADNcPRVPN SDQKDSDGDG IGDAcDNcPQ KSNPDQADVD DATA SEQUENCE HDFVGDAcDS DQDQDGDGHQ DSRDNcPTVP NSAQEDSDHD GQGDAcDDDD DATA SEQUENCE DNDGVPDSRD NcRLVPNPGQ EDADRDGVGD VcQDDFDADK VVDKIDVcPE DATA SEQUENCE NAEVTLTDFR AFQTVVLDPE GDAQIDPNWV VLNQGREIVQ TMNSDPGLAV DATA SEQUENCE GYTAFNGVDF EGTFHVNTVT DDDYAGFIFG YQDSSSFYVV MWKQMEQTYW DATA SEQUENCE QANPFRAVAE PGIQLKAVKS STGPGEQLRN ALWHTGDTES QVRLLWKDPR DATA SEQUENCE NVGWKDKKSY RWFLQHRPQV GYIRVRFYEG PELVADSNVV LDTTMRGGRL DATA SEQUENCE GVFCFSQENI IWANLRYRcN DTIPEDYETH QLRQA 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 223 N HA 0.000 nan 4.740 nan 0.000 0.220 223 N C 0.000 175.484 175.510 -0.043 0.000 1.280 223 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 223 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 224 S N -0.017 115.647 115.700 -0.060 0.000 2.560 224 S HA 0.657 5.126 4.470 -0.001 0.000 0.284 224 S C 0.835 175.378 174.600 -0.095 0.000 1.327 224 S CA 0.052 58.205 58.200 -0.079 0.000 1.055 224 S CB 1.277 64.413 63.200 -0.108 0.000 0.868 224 S HN 0.613 nan 8.310 nan 0.000 0.506 225 A N 2.851 125.617 122.820 -0.090 0.000 2.336 225 A HA 0.480 4.800 4.320 -0.001 0.000 0.291 225 A C 0.209 177.704 177.584 -0.148 0.000 1.266 225 A CA -0.853 51.120 52.037 -0.106 0.000 0.891 225 A CB 0.104 19.055 19.000 -0.082 0.000 1.366 225 A HN 0.905 nan 8.150 nan 0.000 0.507 226 Q N 0.072 119.765 119.800 -0.178 0.000 2.286 226 Q HA 0.370 4.709 4.340 -0.001 0.000 0.257 226 Q C 0.108 175.916 176.000 -0.320 0.000 0.941 226 Q CA -0.137 55.524 55.803 -0.237 0.000 0.912 226 Q CB 0.960 29.551 28.738 -0.245 0.000 1.192 226 Q HN 0.678 nan 8.270 nan 0.000 0.410 227 R N 1.155 121.476 120.500 -0.299 0.000 2.603 227 R HA 0.579 4.918 4.340 -0.001 0.000 0.231 227 R C -0.718 175.284 176.300 -0.497 0.000 1.263 227 R CA -0.627 55.301 56.100 -0.287 0.000 1.102 227 R CB 0.495 30.730 30.300 -0.109 0.000 1.527 227 R HN 0.279 nan 8.270 nan 0.000 0.554 228 F N -1.090 118.835 119.950 -0.040 0.000 2.518 228 F HA 0.472 4.999 4.527 -0.000 0.000 0.338 228 F C 0.196 175.974 175.800 -0.035 0.000 1.065 228 F CA -0.926 57.053 58.000 -0.035 0.000 1.012 228 F CB 1.162 40.145 39.000 -0.029 0.000 1.297 228 F HN 0.371 nan 8.300 nan 0.000 0.489 229 c N 1.621 120.327 118.600 0.176 0.000 2.422 229 c HA 0.205 4.775 4.570 -0.001 0.000 0.364 229 c C -0.913 173.221 174.090 0.074 0.000 1.251 229 c CA -0.625 55.752 56.329 0.081 0.000 2.441 229 c CB 1.005 43.547 42.510 0.052 0.000 2.393 229 c HN 0.593 nan 8.230 nan 0.000 0.606 230 P HA -0.171 nan 4.420 nan 0.000 0.217 230 P C 1.031 178.340 177.300 0.014 0.000 1.151 230 P CA 1.665 64.777 63.100 0.020 0.000 0.849 230 P CB -0.088 31.616 31.700 0.007 0.000 0.787 231 D N -2.142 118.268 120.400 0.016 0.000 2.355 231 D HA 0.001 4.640 4.640 -0.001 0.000 0.218 231 D C 1.402 177.701 176.300 -0.001 0.000 1.004 231 D CA 1.094 55.097 54.000 0.005 0.000 0.880 231 D CB -0.572 40.231 40.800 0.005 0.000 0.911 231 D HN 0.271 nan 8.370 nan 0.000 0.528 232 G N 0.673 109.486 108.800 0.022 0.000 2.176 232 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.232 232 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.232 232 G C 0.337 175.268 174.900 0.053 0.000 0.986 232 G CA 0.335 45.419 45.100 -0.026 0.000 0.643 232 G HN 0.742 nan 8.290 nan 0.000 0.522 233 S N 1.009 116.779 115.700 0.117 0.000 2.601 233 S HA 0.702 5.172 4.470 -0.001 0.000 0.271 233 S C -2.001 172.753 174.600 0.257 0.000 1.305 233 S CA -1.072 57.223 58.200 0.158 0.000 1.022 233 S CB 2.152 65.396 63.200 0.075 0.000 0.940 233 S HN 0.302 nan 8.310 nan 0.000 0.525 234 P HA 0.150 nan 4.420 nan 0.000 0.276 234 P C -0.465 176.802 177.300 -0.055 0.000 1.230 234 P CA -0.260 62.853 63.100 0.022 0.000 0.776 234 P CB 0.788 32.467 31.700 -0.034 0.000 0.888 235 S N 2.184 117.798 115.700 -0.142 0.000 2.430 235 S HA 0.052 4.521 4.470 -0.001 0.000 0.282 235 S C 0.915 175.452 174.600 -0.105 0.000 1.186 235 S CA -0.350 57.791 58.200 -0.099 0.000 1.060 235 S CB -0.585 62.548 63.200 -0.113 0.000 0.966 235 S HN 0.321 nan 8.310 nan 0.000 0.501 236 E N 3.018 123.177 120.200 -0.068 0.000 2.505 236 E HA 0.014 4.364 4.350 -0.001 0.000 0.197 236 E C 0.140 176.703 176.600 -0.062 0.000 1.111 236 E CA -0.137 56.224 56.400 -0.064 0.000 0.887 236 E CB -0.077 29.599 29.700 -0.041 0.000 0.913 236 E HN 0.631 nan 8.360 nan 0.000 0.517 237 c N 0.439 118.996 118.600 -0.072 0.000 2.480 237 c HA 0.133 4.703 4.570 -0.001 0.000 0.358 237 c C 1.042 175.097 174.090 -0.059 0.000 1.309 237 c CA -0.907 55.391 56.329 -0.051 0.000 2.465 237 c CB 0.407 42.884 42.510 -0.055 0.000 2.379 237 c HN 0.445 nan 8.230 nan 0.000 0.642 238 H N 0.650 119.648 119.070 -0.119 0.000 2.836 238 H HA -0.018 4.538 4.556 -0.001 0.000 0.368 238 H C 1.123 176.321 175.328 -0.218 0.000 1.164 238 H CA 0.903 56.862 56.048 -0.148 0.000 1.425 238 H CB 0.451 30.133 29.762 -0.134 0.000 1.414 238 H HN 0.839 nan 8.280 nan 0.000 0.614 239 E N 1.334 121.163 120.200 -0.619 0.000 2.130 239 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 239 E C 0.331 176.620 176.600 -0.518 0.000 0.998 239 E CA 1.135 57.211 56.400 -0.540 0.000 0.806 239 E CB 0.066 29.355 29.700 -0.685 0.000 0.738 239 E HN 0.573 nan 8.360 nan 0.000 0.459 240 H N -0.944 118.053 119.070 -0.121 0.000 2.503 240 H HA 0.444 5.000 4.556 -0.001 0.000 0.296 240 H C -0.457 174.682 175.328 -0.315 0.000 1.097 240 H CA 0.309 56.066 56.048 -0.486 0.000 1.055 240 H CB 0.510 29.347 29.762 -1.543 0.000 1.580 240 H HN 0.107 nan 8.280 nan 0.000 0.546 241 A N 0.158 122.928 122.820 -0.083 0.000 2.387 241 A HA 0.483 4.803 4.320 -0.001 0.000 0.303 241 A C -0.613 176.927 177.584 -0.073 0.000 1.145 241 A CA -0.750 51.248 52.037 -0.065 0.000 0.801 241 A CB 1.826 20.809 19.000 -0.028 0.000 1.342 241 A HN 0.121 nan 8.150 nan 0.000 0.440 242 D N 0.057 120.418 120.400 -0.065 0.000 2.362 242 D HA 0.339 4.979 4.640 -0.001 0.000 0.247 242 D C -1.167 175.101 176.300 -0.052 0.000 1.050 242 D CA 0.056 54.019 54.000 -0.062 0.000 0.839 242 D CB 1.838 42.597 40.800 -0.068 0.000 1.283 242 D HN 0.513 nan 8.370 nan 0.000 0.477 243 c N 3.818 122.392 118.600 -0.044 0.000 2.373 243 c HA 0.515 5.085 4.570 -0.001 0.000 0.354 243 c C 0.088 174.163 174.090 -0.026 0.000 1.249 243 c CA -0.330 55.979 56.329 -0.033 0.000 1.784 243 c CB -1.327 41.167 42.510 -0.026 0.000 2.408 243 c HN 0.376 nan 8.230 nan 0.000 0.542 244 V N 6.084 125.982 119.914 -0.027 0.000 2.680 244 V HA 0.629 4.748 4.120 -0.001 0.000 0.309 244 V C -0.574 175.510 176.094 -0.016 0.000 1.052 244 V CA -0.838 61.448 62.300 -0.024 0.000 0.908 244 V CB 1.671 33.475 31.823 -0.032 0.000 1.001 244 V HN 0.743 nan 8.190 nan 0.000 0.431 245 L N 4.051 125.267 121.223 -0.012 0.000 2.278 245 L HA 0.453 4.792 4.340 -0.001 0.000 0.287 245 L C 0.612 177.477 176.870 -0.010 0.000 1.072 245 L CA -0.280 54.554 54.840 -0.009 0.000 0.819 245 L CB 0.552 42.607 42.059 -0.007 0.000 1.176 245 L HN 0.682 nan 8.230 nan 0.000 0.435 246 E N 2.648 122.843 120.200 -0.008 0.000 2.418 246 E HA -0.066 4.283 4.350 -0.001 0.000 0.261 246 E C 1.006 177.600 176.600 -0.009 0.000 1.070 246 E CA -0.033 56.363 56.400 -0.007 0.000 0.931 246 E CB 0.641 30.339 29.700 -0.003 0.000 0.954 246 E HN 0.422 nan 8.360 nan 0.000 0.439 247 R N 1.929 122.422 120.500 -0.010 0.000 2.190 247 R HA -0.256 4.083 4.340 -0.001 0.000 0.255 247 R C 1.171 177.457 176.300 -0.023 0.000 1.143 247 R CA 2.604 58.691 56.100 -0.022 0.000 0.965 247 R CB -0.080 30.207 30.300 -0.021 0.000 0.889 247 R HN 0.590 nan 8.270 nan 0.000 0.448 248 D N -2.413 117.980 120.400 -0.011 0.000 2.340 248 D HA 0.068 4.708 4.640 -0.001 0.000 0.220 248 D C 1.221 177.517 176.300 -0.007 0.000 1.039 248 D CA 0.964 54.960 54.000 -0.008 0.000 0.866 248 D CB 0.537 41.338 40.800 0.002 0.000 0.913 248 D HN 0.550 nan 8.370 nan 0.000 0.523 249 G N 0.554 109.349 108.800 -0.008 0.000 2.436 249 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.204 249 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.204 249 G C 0.451 175.349 174.900 -0.004 0.000 1.026 249 G CA 0.172 45.267 45.100 -0.007 0.000 0.658 249 G HN 0.725 nan 8.290 nan 0.000 0.499 250 S N 1.870 117.568 115.700 -0.002 0.000 2.559 250 S HA 0.458 4.927 4.470 -0.001 0.000 0.282 250 S C 0.604 175.202 174.600 -0.004 0.000 1.336 250 S CA 0.661 58.860 58.200 -0.002 0.000 1.037 250 S CB 0.683 63.882 63.200 -0.001 0.000 0.853 250 S HN 1.081 nan 8.310 nan 0.000 0.523 251 R N 0.589 121.087 120.500 -0.004 0.000 2.668 251 R HA 0.722 5.062 4.340 -0.001 0.000 0.279 251 R C -0.993 175.300 176.300 -0.011 0.000 0.976 251 R CA -0.792 55.303 56.100 -0.007 0.000 0.978 251 R CB 1.080 31.378 30.300 -0.005 0.000 1.133 251 R HN 0.543 nan 8.270 nan 0.000 0.484 252 S N 0.542 116.232 115.700 -0.016 0.000 2.536 252 S HA 0.341 4.810 4.470 -0.001 0.000 0.287 252 S C -0.901 173.682 174.600 -0.027 0.000 1.101 252 S CA -0.692 57.496 58.200 -0.021 0.000 0.950 252 S CB 1.626 64.813 63.200 -0.022 0.000 1.056 252 S HN 0.620 nan 8.310 nan 0.000 0.481 253 c N 2.812 121.395 118.600 -0.029 0.000 2.285 253 c HA 0.701 5.270 4.570 -0.001 0.000 0.335 253 c C 0.310 174.375 174.090 -0.042 0.000 1.267 253 c CA -0.565 55.743 56.329 -0.034 0.000 1.762 253 c CB -0.160 42.334 42.510 -0.027 0.000 2.365 253 c HN 0.662 nan 8.230 nan 0.000 0.527 254 V N 5.262 125.145 119.914 -0.051 0.000 2.487 254 V HA 0.424 4.544 4.120 -0.001 0.000 0.298 254 V C 0.094 176.149 176.094 -0.064 0.000 1.028 254 V CA -0.391 61.872 62.300 -0.063 0.000 0.860 254 V CB 1.090 32.870 31.823 -0.072 0.000 0.991 254 V HN 1.102 nan 8.190 nan 0.000 0.427 255 c N 6.002 124.565 118.600 -0.062 0.000 2.634 255 c HA 0.513 5.082 4.570 -0.001 0.000 0.417 255 c C 1.241 175.318 174.090 -0.021 0.000 1.334 255 c CA 0.124 56.428 56.329 -0.042 0.000 1.829 255 c CB -0.278 42.224 42.510 -0.014 0.000 2.665 255 c HN 1.059 nan 8.230 nan 0.000 0.614 256 A N 2.929 125.756 122.820 0.012 0.000 2.332 256 A HA 0.442 4.761 4.320 -0.001 0.000 0.258 256 A C 0.315 177.965 177.584 0.111 0.000 1.087 256 A CA -0.273 51.783 52.037 0.031 0.000 0.802 256 A CB 0.170 19.206 19.000 0.060 0.000 1.042 256 A HN 1.159 nan 8.150 nan 0.000 0.489 257 V N 1.686 121.579 119.914 -0.035 0.000 2.681 257 V HA 0.342 4.461 4.120 -0.001 0.000 0.306 257 V C 1.437 177.569 176.094 0.064 0.000 1.077 257 V CA 2.255 64.515 62.300 -0.068 0.000 1.224 257 V CB 0.014 31.653 31.823 -0.305 0.000 0.879 257 V HN 2.382 nan 8.190 nan 0.000 0.494 258 G N 4.634 113.411 108.800 -0.039 0.000 2.194 258 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.236 258 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.236 258 G C -0.359 174.233 174.900 -0.513 0.000 0.987 258 G CA 0.177 45.135 45.100 -0.236 0.000 0.635 258 G HN 0.873 nan 8.290 nan 0.000 0.520 259 W N 0.346 121.578 121.300 -0.113 0.000 2.864 259 W HA 0.836 5.496 4.660 -0.001 0.000 0.343 259 W C 0.098 176.532 176.519 -0.143 0.000 1.109 259 W CA -0.278 56.985 57.345 -0.136 0.000 1.192 259 W CB 2.088 31.462 29.460 -0.143 0.000 1.426 259 W HN 0.734 nan 8.180 nan 0.000 0.529 260 A N 0.930 123.799 122.820 0.082 0.000 2.539 260 A HA 0.984 5.304 4.320 -0.001 0.000 0.296 260 A C -0.158 177.391 177.584 -0.059 0.000 1.073 260 A CA 0.001 52.016 52.037 -0.037 0.000 0.700 260 A CB 1.523 20.456 19.000 -0.110 0.000 1.296 260 A HN 1.386 nan 8.150 nan 0.000 0.405 261 G N 0.605 109.341 108.800 -0.106 0.000 2.530 261 G HA2 0.335 4.294 3.960 -0.001 0.000 0.081 261 G HA3 0.335 4.294 3.960 -0.001 0.000 0.081 261 G C -0.658 174.186 174.900 -0.093 0.000 1.062 261 G CA 0.422 45.468 45.100 -0.091 0.000 1.108 261 G HN 1.769 nan 8.290 nan 0.000 0.466 262 N N -0.003 118.657 118.700 -0.068 0.000 2.377 262 N HA 0.467 5.206 4.740 -0.001 0.000 0.259 262 N C 1.259 176.742 175.510 -0.044 0.000 1.332 262 N CA 1.070 54.087 53.050 -0.055 0.000 0.877 262 N CB 0.958 39.423 38.487 -0.036 0.000 1.299 262 N HN 2.185 nan 8.380 nan 0.000 0.501 263 G N 0.354 109.123 108.800 -0.053 0.000 2.267 263 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.257 263 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.257 263 G C 0.678 175.585 174.900 0.010 0.000 0.998 263 G CA 0.688 45.767 45.100 -0.035 0.000 0.620 263 G HN 0.366 nan 8.290 nan 0.000 0.529 264 I N -0.338 120.244 120.570 0.019 0.000 2.947 264 I HA 0.333 4.503 4.170 -0.001 0.000 0.263 264 I C 0.604 176.811 176.117 0.150 0.000 1.130 264 I CA 0.154 61.491 61.300 0.062 0.000 1.448 264 I CB 0.089 38.104 38.000 0.025 0.000 1.222 264 I HN 0.005 nan 8.210 nan 0.000 0.453 265 L N 1.486 122.754 121.223 0.075 0.000 2.282 265 L HA 0.374 4.714 4.340 -0.001 0.000 0.288 265 L C -0.912 175.874 176.870 -0.139 0.000 1.033 265 L CA -0.055 54.827 54.840 0.070 0.000 0.807 265 L CB 0.960 43.046 42.059 0.045 0.000 1.209 265 L HN 0.246 nan 8.230 nan 0.000 0.423 266 c N 2.140 120.448 118.600 -0.487 0.000 2.898 266 c HA 0.935 5.504 4.570 -0.001 0.000 0.304 266 c C 0.508 174.502 174.090 -0.159 0.000 1.237 266 c CA -0.702 55.357 56.329 -0.449 0.000 1.529 266 c CB 1.736 43.788 42.510 -0.763 0.000 2.021 266 c HN 0.953 nan 8.230 nan 0.000 0.474 267 G N 0.835 109.706 108.800 0.118 0.000 2.694 267 G HA2 0.676 4.636 3.960 -0.001 0.000 0.290 267 G HA3 0.676 4.636 3.960 -0.001 0.000 0.290 267 G C -1.499 173.480 174.900 0.132 0.000 1.386 267 G CA -0.735 44.507 45.100 0.236 0.000 0.872 267 G HN 0.724 nan 8.290 nan 0.000 0.475 268 R N 0.158 120.540 120.500 -0.196 0.000 2.489 268 R HA 0.319 4.659 4.340 -0.001 0.000 0.287 268 R C -0.893 175.221 176.300 -0.309 0.000 1.053 268 R CA -0.065 55.673 56.100 -0.603 0.000 1.036 268 R CB 0.658 30.581 30.300 -0.628 0.000 0.966 268 R HN 0.411 nan 8.270 nan 0.000 0.432 269 D N 2.516 122.723 120.400 -0.322 0.000 2.462 269 D HA 0.162 4.802 4.640 -0.001 0.000 0.249 269 D C 0.102 176.301 176.300 -0.168 0.000 1.117 269 D CA -0.233 53.666 54.000 -0.169 0.000 0.900 269 D CB 1.126 41.857 40.800 -0.115 0.000 1.039 269 D HN 0.538 nan 8.370 nan 0.000 0.516 270 T N 1.602 116.073 114.554 -0.139 0.000 2.674 270 T HA -0.177 4.173 4.350 -0.001 0.000 0.265 270 T C 0.978 175.632 174.700 -0.076 0.000 1.039 270 T CA 1.727 63.755 62.100 -0.120 0.000 1.150 270 T CB -0.094 68.717 68.868 -0.095 0.000 0.864 270 T HN 0.559 nan 8.240 nan 0.000 0.427 271 D N 1.499 121.872 120.400 -0.045 0.000 2.338 271 D HA 0.033 4.673 4.640 -0.001 0.000 0.239 271 D C 0.756 177.051 176.300 -0.008 0.000 1.095 271 D CA -0.012 53.981 54.000 -0.011 0.000 0.888 271 D CB -1.078 39.699 40.800 -0.039 0.000 0.899 271 D HN 0.411 nan 8.370 nan 0.000 0.525 272 L N 0.347 121.549 121.223 -0.033 0.000 3.737 272 L HA -0.247 4.093 4.340 -0.001 0.000 0.418 272 L C 0.176 177.033 176.870 -0.020 0.000 1.216 272 L CA 0.844 55.664 54.840 -0.033 0.000 0.915 272 L CB -1.287 40.767 42.059 -0.009 0.000 1.834 272 L HN 0.314 nan 8.230 nan 0.000 0.943 273 D N -0.904 119.497 120.400 0.002 0.000 2.363 273 D HA 0.250 4.890 4.640 -0.001 0.000 0.214 273 D C 1.427 177.765 176.300 0.063 0.000 1.093 273 D CA 0.689 54.715 54.000 0.043 0.000 0.837 273 D CB 0.648 41.492 40.800 0.073 0.000 0.948 273 D HN 0.428 nan 8.370 nan 0.000 0.507 274 G N -0.518 108.259 108.800 -0.039 0.000 2.176 274 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.232 274 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.232 274 G C -0.195 174.435 174.900 -0.451 0.000 0.986 274 G CA -0.083 44.883 45.100 -0.223 0.000 0.643 274 G HN 0.294 nan 8.290 nan 0.000 0.522 275 F N 2.472 122.397 119.950 -0.042 0.000 2.518 275 F HA 0.535 5.061 4.527 -0.001 0.000 0.323 275 F C -1.921 173.853 175.800 -0.045 0.000 1.129 275 F CA -2.345 55.633 58.000 -0.037 0.000 0.920 275 F CB 2.491 41.471 39.000 -0.033 0.000 1.160 275 F HN -0.173 nan 8.300 nan 0.000 0.440 276 P HA 0.013 nan 4.420 nan 0.000 0.266 276 P C -0.113 177.210 177.300 0.040 0.000 1.195 276 P CA 0.092 63.215 63.100 0.037 0.000 0.768 276 P CB 1.131 32.852 31.700 0.035 0.000 0.838 277 D N 0.336 120.729 120.400 -0.011 0.000 2.190 277 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 277 D C 0.492 176.791 176.300 -0.002 0.000 0.992 277 D CA 1.886 55.875 54.000 -0.018 0.000 0.854 277 D CB 0.127 40.896 40.800 -0.053 0.000 0.936 277 D HN 0.437 nan 8.370 nan 0.000 0.462 278 E N -0.720 119.486 120.200 0.010 0.000 2.340 278 E HA 0.238 4.587 4.350 -0.001 0.000 0.273 278 E C -0.946 175.673 176.600 0.032 0.000 0.891 278 E CA -0.813 55.597 56.400 0.017 0.000 0.757 278 E CB 1.541 31.250 29.700 0.015 0.000 1.231 278 E HN -0.179 nan 8.360 nan 0.000 0.439 279 K N 2.278 122.697 120.400 0.032 0.000 2.527 279 K HA 0.063 4.382 4.320 -0.001 0.000 0.278 279 K C -0.694 175.930 176.600 0.040 0.000 0.981 279 K CA -0.024 56.286 56.287 0.039 0.000 1.009 279 K CB 0.320 32.838 32.500 0.031 0.000 0.895 279 K HN 0.264 nan 8.250 nan 0.000 0.493 280 L N 3.196 124.444 121.223 0.041 0.000 2.313 280 L HA 0.393 4.733 4.340 -0.001 0.000 0.268 280 L C 0.395 177.285 176.870 0.033 0.000 1.010 280 L CA -0.236 54.626 54.840 0.037 0.000 0.814 280 L CB 1.433 43.510 42.059 0.029 0.000 1.304 280 L HN 0.583 nan 8.230 nan 0.000 0.441 281 R N 1.197 121.717 120.500 0.032 0.000 3.171 281 R HA 0.513 4.852 4.340 -0.001 0.000 0.241 281 R C -1.549 174.765 176.300 0.023 0.000 1.421 281 R CA -0.086 56.030 56.100 0.027 0.000 1.444 281 R CB -0.411 29.906 30.300 0.027 0.000 1.247 281 R HN 0.785 nan 8.270 nan 0.000 0.636 282 c N 0.093 118.706 118.600 0.022 0.000 3.288 282 c HA 0.462 5.032 4.570 -0.001 0.000 0.318 282 c C -2.016 172.085 174.090 0.018 0.000 1.356 282 c CA -1.504 54.835 56.329 0.017 0.000 1.359 282 c CB 1.697 44.215 42.510 0.012 0.000 1.688 282 c HN 0.394 nan 8.230 nan 0.000 0.467 283 P HA 0.054 nan 4.420 nan 0.000 0.236 283 P C 0.255 177.568 177.300 0.021 0.000 1.177 283 P CA 0.981 64.091 63.100 0.017 0.000 0.773 283 P CB 0.131 31.839 31.700 0.013 0.000 0.878 284 E N -0.210 120.000 120.200 0.017 0.000 2.374 284 E HA 0.082 4.432 4.350 -0.001 0.000 0.260 284 E C 0.871 177.495 176.600 0.040 0.000 1.101 284 E CA -0.433 55.978 56.400 0.018 0.000 0.907 284 E CB 1.121 30.820 29.700 -0.003 0.000 1.014 284 E HN 0.011 nan 8.360 nan 0.000 0.427 285 R N 0.279 120.811 120.500 0.054 0.000 2.103 285 R HA -0.169 4.171 4.340 -0.001 0.000 0.242 285 R C 1.822 178.234 176.300 0.188 0.000 1.142 285 R CA 1.879 58.054 56.100 0.124 0.000 0.960 285 R CB 0.002 30.386 30.300 0.140 0.000 0.858 285 R HN 0.559 nan 8.270 nan 0.000 0.439 286 Q N -0.629 119.186 119.800 0.025 0.000 2.373 286 Q HA -0.007 4.332 4.340 -0.001 0.000 0.206 286 Q C 1.339 177.317 176.000 -0.036 0.000 0.942 286 Q CA 0.375 56.079 55.803 -0.166 0.000 0.953 286 Q CB -0.114 28.317 28.738 -0.511 0.000 1.022 286 Q HN 0.338 nan 8.270 nan 0.000 0.502 287 c N 1.576 120.202 118.600 0.043 0.000 2.634 287 c HA 0.138 4.708 4.570 -0.001 0.000 0.268 287 c C 1.198 175.342 174.090 0.089 0.000 1.322 287 c CA -0.463 55.894 56.329 0.047 0.000 1.737 287 c CB -0.464 42.064 42.510 0.030 0.000 1.976 287 c HN 0.452 nan 8.230 nan 0.000 0.547 288 R N 2.102 122.688 120.500 0.142 0.000 2.641 288 R HA 0.211 4.550 4.340 -0.001 0.000 0.269 288 R C -0.112 176.269 176.300 0.135 0.000 1.074 288 R CA -0.210 55.961 56.100 0.118 0.000 1.133 288 R CB 0.528 30.880 30.300 0.087 0.000 1.029 288 R HN 0.322 nan 8.270 nan 0.000 0.488 289 K N 1.622 122.063 120.400 0.069 0.000 2.451 289 K HA -0.088 4.231 4.320 -0.001 0.000 0.280 289 K C -0.226 176.392 176.600 0.031 0.000 1.020 289 K CA -0.157 56.161 56.287 0.052 0.000 1.008 289 K CB 0.442 32.954 32.500 0.020 0.000 0.917 289 K HN 0.530 nan 8.250 nan 0.000 0.478 290 D N 2.860 123.292 120.400 0.053 0.000 2.533 290 D HA -0.105 4.534 4.640 -0.001 0.000 0.236 290 D C 0.436 176.693 176.300 -0.072 0.000 1.137 290 D CA 0.193 54.181 54.000 -0.020 0.000 0.867 290 D CB 0.582 41.410 40.800 0.047 0.000 1.170 290 D HN 0.692 nan 8.370 nan 0.000 0.474 291 N N 2.273 120.891 118.700 -0.136 0.000 2.322 291 N HA -0.005 4.734 4.740 -0.001 0.000 0.194 291 N C -0.721 174.737 175.510 -0.086 0.000 1.126 291 N CA -0.307 52.681 53.050 -0.104 0.000 0.845 291 N CB -0.238 38.179 38.487 -0.116 0.000 0.976 291 N HN 0.113 nan 8.380 nan 0.000 0.475 292 c N 0.511 119.059 118.600 -0.086 0.000 3.078 292 c HA 0.291 4.860 4.570 -0.001 0.000 0.320 292 c C 1.497 175.550 174.090 -0.062 0.000 1.039 292 c CA -0.925 55.362 56.329 -0.070 0.000 1.386 292 c CB 0.037 42.499 42.510 -0.081 0.000 1.836 292 c HN 0.129 nan 8.230 nan 0.000 0.514 293 V N 2.646 122.533 119.914 -0.046 0.000 2.392 293 V HA -0.175 3.944 4.120 -0.001 0.000 0.249 293 V C 2.408 178.478 176.094 -0.039 0.000 1.059 293 V CA 2.985 65.263 62.300 -0.036 0.000 1.051 293 V CB -0.249 31.556 31.823 -0.030 0.000 0.658 293 V HN 0.957 nan 8.190 nan 0.000 0.455 294 T N -3.468 111.061 114.554 -0.041 0.000 3.023 294 T HA 0.151 4.500 4.350 -0.001 0.000 0.249 294 T C 0.576 175.237 174.700 -0.065 0.000 1.050 294 T CA 0.077 62.161 62.100 -0.027 0.000 1.088 294 T CB -0.052 68.814 68.868 -0.003 0.000 0.946 294 T HN 0.142 nan 8.240 nan 0.000 0.480 295 V N 4.713 124.552 119.914 -0.124 0.000 2.455 295 V HA 0.340 4.459 4.120 -0.001 0.000 0.273 295 V C -2.407 173.522 176.094 -0.274 0.000 1.045 295 V CA -2.354 59.786 62.300 -0.266 0.000 0.976 295 V CB 0.560 32.280 31.823 -0.173 0.000 0.993 295 V HN 0.267 nan 8.190 nan 0.000 0.475 296 P HA 0.121 nan 4.420 nan 0.000 0.269 296 P C -0.595 176.629 177.300 -0.128 0.000 1.252 296 P CA 0.113 63.084 63.100 -0.215 0.000 0.780 296 P CB 0.159 31.727 31.700 -0.220 0.000 0.829 297 N N 1.626 120.284 118.700 -0.069 0.000 2.841 297 N HA 0.022 4.761 4.740 -0.001 0.000 0.257 297 N C 0.535 176.037 175.510 -0.013 0.000 1.396 297 N CA -0.691 52.329 53.050 -0.049 0.000 0.823 297 N CB 0.172 38.611 38.487 -0.080 0.000 1.162 297 N HN 0.121 nan 8.380 nan 0.000 0.503 298 S N -0.613 115.125 115.700 0.064 0.000 2.474 298 S HA -0.032 4.438 4.470 -0.001 0.000 0.235 298 S C 1.621 176.318 174.600 0.161 0.000 0.997 298 S CA 0.780 59.085 58.200 0.174 0.000 0.949 298 S CB -0.461 62.832 63.200 0.155 0.000 0.766 298 S HN 0.488 nan 8.310 nan 0.000 0.517 299 G N 0.272 109.108 108.800 0.060 0.000 2.813 299 G HA2 0.071 4.031 3.960 -0.001 0.000 0.209 299 G HA3 0.071 4.031 3.960 -0.001 0.000 0.209 299 G C 0.537 175.399 174.900 -0.063 0.000 1.150 299 G CA -0.137 44.983 45.100 0.034 0.000 0.785 299 G HN 0.414 nan 8.290 nan 0.000 0.535 300 Q N -0.123 119.570 119.800 -0.179 0.000 2.370 300 Q HA -0.213 4.127 4.340 -0.001 0.000 0.266 300 Q C -0.345 175.555 176.000 -0.167 0.000 1.094 300 Q CA 1.075 56.698 55.803 -0.299 0.000 0.972 300 Q CB -1.458 26.912 28.738 -0.612 0.000 1.413 300 Q HN 0.666 nan 8.270 nan 0.000 0.536 301 E N 1.298 121.444 120.200 -0.089 0.000 2.415 301 E HA 0.120 4.469 4.350 -0.001 0.000 0.260 301 E C 0.021 176.591 176.600 -0.049 0.000 1.016 301 E CA 0.325 56.696 56.400 -0.050 0.000 0.924 301 E CB 0.416 30.106 29.700 -0.016 0.000 0.961 301 E HN 0.084 nan 8.360 nan 0.000 0.459 302 D N 3.504 123.879 120.400 -0.043 0.000 2.346 302 D HA 0.099 4.739 4.640 -0.001 0.000 0.255 302 D C 0.147 176.435 176.300 -0.020 0.000 1.276 302 D CA -0.459 53.519 54.000 -0.036 0.000 0.941 302 D CB 0.816 41.587 40.800 -0.050 0.000 1.199 302 D HN 0.215 nan 8.370 nan 0.000 0.537 303 V N 2.513 122.422 119.914 -0.009 0.000 2.343 303 V HA -0.159 3.960 4.120 -0.001 0.000 0.247 303 V C 1.437 177.531 176.094 -0.001 0.000 1.051 303 V CA 2.257 64.557 62.300 -0.000 0.000 1.036 303 V CB -0.203 31.626 31.823 0.009 0.000 0.654 303 V HN 0.676 nan 8.190 nan 0.000 0.451 304 D N 0.120 120.519 120.400 -0.002 0.000 2.395 304 D HA -0.017 4.622 4.640 -0.001 0.000 0.226 304 D C 0.747 177.044 176.300 -0.005 0.000 1.146 304 D CA -0.365 53.634 54.000 -0.001 0.000 0.830 304 D CB -0.417 40.384 40.800 0.002 0.000 0.958 304 D HN 0.451 nan 8.370 nan 0.000 0.501 305 R N 0.893 121.387 120.500 -0.010 0.000 3.358 305 R HA -0.210 4.129 4.340 -0.001 0.000 0.248 305 R C -0.075 176.217 176.300 -0.013 0.000 0.981 305 R CA 1.188 57.280 56.100 -0.013 0.000 0.662 305 R CB -2.890 27.404 30.300 -0.009 0.000 1.037 305 R HN 0.545 nan 8.270 nan 0.000 0.460 306 D N -0.556 119.836 120.400 -0.013 0.000 2.340 306 D HA 0.060 4.699 4.640 -0.001 0.000 0.220 306 D C 1.303 177.593 176.300 -0.016 0.000 1.039 306 D CA 0.720 54.713 54.000 -0.012 0.000 0.866 306 D CB 0.159 40.953 40.800 -0.010 0.000 0.913 306 D HN 0.518 nan 8.370 nan 0.000 0.523 307 G N 0.807 109.594 108.800 -0.023 0.000 2.213 307 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.236 307 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.236 307 G C 0.209 175.087 174.900 -0.035 0.000 0.991 307 G CA 0.144 45.228 45.100 -0.028 0.000 0.629 307 G HN 0.407 nan 8.290 nan 0.000 0.517 308 I N 2.076 122.627 120.570 -0.032 0.000 2.359 308 I HA 0.542 4.711 4.170 -0.001 0.000 0.294 308 I C 1.333 177.423 176.117 -0.045 0.000 0.987 308 I CA -0.581 60.697 61.300 -0.037 0.000 1.225 308 I CB 1.567 39.550 38.000 -0.027 0.000 1.366 308 I HN 0.147 nan 8.210 nan 0.000 0.466 309 G N 3.504 112.268 108.800 -0.060 0.000 2.414 309 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.236 309 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.236 309 G C 0.512 175.385 174.900 -0.044 0.000 1.293 309 G CA -0.299 44.761 45.100 -0.067 0.000 0.869 309 G HN 0.723 nan 8.290 nan 0.000 0.556 310 D N 2.126 122.506 120.400 -0.034 0.000 2.182 310 D HA -0.153 4.487 4.640 -0.001 0.000 0.201 310 D C 2.558 178.849 176.300 -0.016 0.000 0.986 310 D CA 1.494 55.486 54.000 -0.014 0.000 0.847 310 D CB -0.218 40.582 40.800 0.000 0.000 0.942 310 D HN 0.495 nan 8.370 nan 0.000 0.467 311 A N 0.193 122.995 122.820 -0.030 0.000 2.259 311 A HA -0.040 4.280 4.320 -0.001 0.000 0.212 311 A C 1.630 179.191 177.584 -0.039 0.000 1.178 311 A CA 1.193 53.209 52.037 -0.035 0.000 0.734 311 A CB -0.658 18.310 19.000 -0.054 0.000 0.774 311 A HN 0.508 nan 8.150 nan 0.000 0.481 312 c N -3.085 115.494 118.600 -0.034 0.000 3.905 312 c HA 0.288 4.858 4.570 -0.001 0.000 0.330 312 c C -0.463 173.613 174.090 -0.023 0.000 2.776 312 c CA -0.651 55.660 56.329 -0.030 0.000 1.565 312 c CB -1.117 41.369 42.510 -0.040 0.000 3.175 312 c HN 0.369 nan 8.230 nan 0.000 0.359 313 D N 3.128 123.517 120.400 -0.018 0.000 2.347 313 D HA 0.336 4.976 4.640 -0.001 0.000 0.235 313 D C -0.928 175.368 176.300 -0.007 0.000 1.149 313 D CA -1.607 52.385 54.000 -0.013 0.000 0.850 313 D CB 2.030 42.823 40.800 -0.012 0.000 1.061 313 D HN 0.276 nan 8.370 nan 0.000 0.487 314 P HA -0.068 nan 4.420 nan 0.000 0.226 314 P C -0.020 177.280 177.300 0.000 0.000 1.146 314 P CA 0.777 63.875 63.100 -0.004 0.000 0.773 314 P CB 0.452 32.148 31.700 -0.005 0.000 0.772 315 D N -1.023 119.379 120.400 0.002 0.000 2.735 315 D HA 0.349 4.989 4.640 -0.001 0.000 0.291 315 D C 1.194 177.499 176.300 0.009 0.000 1.205 315 D CA -0.561 53.443 54.000 0.007 0.000 0.777 315 D CB -0.080 40.723 40.800 0.005 0.000 1.234 315 D HN -0.162 nan 8.370 nan 0.000 0.520 316 A N 1.692 124.519 122.820 0.012 0.000 2.054 316 A HA -0.208 4.111 4.320 -0.001 0.000 0.223 316 A C 1.600 179.191 177.584 0.013 0.000 1.169 316 A CA 2.142 54.185 52.037 0.011 0.000 0.655 316 A CB -0.162 18.849 19.000 0.018 0.000 0.812 316 A HN 0.571 nan 8.150 nan 0.000 0.462 317 D N -3.243 117.168 120.400 0.019 0.000 2.433 317 D HA 0.259 4.899 4.640 -0.001 0.000 0.211 317 D C 1.069 177.378 176.300 0.015 0.000 1.114 317 D CA 0.789 54.800 54.000 0.019 0.000 0.837 317 D CB -0.737 40.081 40.800 0.030 0.000 0.984 317 D HN 0.880 nan 8.370 nan 0.000 0.505 318 G N 2.637 111.444 108.800 0.012 0.000 2.221 318 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.265 318 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.265 318 G C 0.205 175.112 174.900 0.011 0.000 1.041 318 G CA 0.503 45.608 45.100 0.009 0.000 0.807 318 G HN 0.539 nan 8.290 nan 0.000 0.502 319 D N -0.832 119.577 120.400 0.014 0.000 2.370 319 D HA 0.387 5.026 4.640 -0.001 0.000 0.230 319 D C 1.773 178.080 176.300 0.012 0.000 1.143 319 D CA 0.130 54.138 54.000 0.015 0.000 0.834 319 D CB -0.494 40.318 40.800 0.020 0.000 0.944 319 D HN 1.445 nan 8.370 nan 0.000 0.504 320 G N -0.654 108.151 108.800 0.009 0.000 2.212 320 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.266 320 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.266 320 G C 0.165 175.069 174.900 0.007 0.000 0.978 320 G CA 0.433 45.538 45.100 0.007 0.000 0.632 320 G HN 0.429 nan 8.290 nan 0.000 0.537 321 V N 1.934 121.854 119.914 0.010 0.000 2.394 321 V HA 0.499 4.619 4.120 -0.001 0.000 0.282 321 V C -1.677 174.421 176.094 0.008 0.000 1.031 321 V CA -1.819 60.486 62.300 0.009 0.000 0.881 321 V CB 1.721 33.551 31.823 0.012 0.000 0.982 321 V HN 0.059 nan 8.190 nan 0.000 0.451 322 P HA 0.174 nan 4.420 nan 0.000 0.269 322 P C 0.557 177.859 177.300 0.003 0.000 1.215 322 P CA -0.149 62.952 63.100 0.002 0.000 0.780 322 P CB 0.562 32.260 31.700 -0.002 0.000 0.898 323 N N 1.830 120.533 118.700 0.005 0.000 2.104 323 N HA -0.179 4.561 4.740 -0.001 0.000 0.190 323 N C 1.160 176.668 175.510 -0.002 0.000 1.024 323 N CA 1.600 54.656 53.050 0.010 0.000 0.853 323 N CB -0.454 38.041 38.487 0.013 0.000 1.008 323 N HN 0.542 nan 8.380 nan 0.000 0.424 324 E N 0.880 121.074 120.200 -0.009 0.000 2.208 324 E HA -0.036 4.313 4.350 -0.001 0.000 0.193 324 E C 0.686 177.270 176.600 -0.027 0.000 0.988 324 E CA 1.012 57.399 56.400 -0.021 0.000 0.828 324 E CB -0.129 29.559 29.700 -0.019 0.000 0.763 324 E HN 0.381 nan 8.360 nan 0.000 0.478 325 K N 0.695 121.084 120.400 -0.019 0.000 2.576 325 K HA 0.142 4.461 4.320 -0.001 0.000 0.209 325 K C -0.354 176.237 176.600 -0.014 0.000 1.049 325 K CA -0.129 56.146 56.287 -0.020 0.000 1.140 325 K CB 0.408 32.899 32.500 -0.014 0.000 0.871 325 K HN -0.039 nan 8.250 nan 0.000 0.479 326 D N 1.648 122.041 120.400 -0.011 0.000 2.471 326 D HA 0.032 4.672 4.640 -0.001 0.000 0.245 326 D C 0.416 176.718 176.300 0.003 0.000 1.116 326 D CA -0.504 53.500 54.000 0.007 0.000 0.853 326 D CB 0.911 41.725 40.800 0.025 0.000 1.123 326 D HN 0.076 nan 8.370 nan 0.000 0.540 327 N N 1.956 120.658 118.700 0.003 0.000 2.571 327 N HA -0.055 4.685 4.740 -0.001 0.000 0.189 327 N C -0.145 175.442 175.510 0.128 0.000 1.154 327 N CA 0.093 53.137 53.050 -0.010 0.000 0.907 327 N CB -0.145 38.328 38.487 -0.024 0.000 0.977 327 N HN 0.125 nan 8.380 nan 0.000 0.449 328 c N 0.612 119.305 118.600 0.155 0.000 3.517 328 c HA 0.386 4.955 4.570 -0.001 0.000 0.202 328 c C -1.630 172.561 174.090 0.169 0.000 1.370 328 c CA -1.088 55.382 56.329 0.234 0.000 1.308 328 c CB 0.809 43.419 42.510 0.167 0.000 1.840 328 c HN 0.188 nan 8.230 nan 0.000 0.525 329 P HA -0.078 nan 4.420 nan 0.000 0.218 329 P C 0.899 178.255 177.300 0.094 0.000 1.148 329 P CA 1.489 64.659 63.100 0.117 0.000 0.822 329 P CB 0.172 31.948 31.700 0.127 0.000 0.784 330 L N -1.805 119.481 121.223 0.106 0.000 2.769 330 L HA 0.242 4.581 4.340 -0.001 0.000 0.240 330 L C 0.401 177.301 176.870 0.050 0.000 1.163 330 L CA -0.329 54.551 54.840 0.066 0.000 0.962 330 L CB 0.751 42.846 42.059 0.059 0.000 1.258 330 L HN -0.172 nan 8.230 nan 0.000 0.513 331 V N -0.130 119.819 119.914 0.059 0.000 2.733 331 V HA 0.446 4.566 4.120 -0.001 0.000 0.306 331 V C -0.541 175.581 176.094 0.046 0.000 1.084 331 V CA -0.673 61.653 62.300 0.044 0.000 0.905 331 V CB 1.952 33.797 31.823 0.037 0.000 1.010 331 V HN 0.282 nan 8.190 nan 0.000 0.424 332 R N 5.466 125.985 120.500 0.033 0.000 2.491 332 R HA 0.450 4.789 4.340 -0.001 0.000 0.283 332 R C -0.076 176.243 176.300 0.032 0.000 1.072 332 R CA 0.293 56.410 56.100 0.030 0.000 1.048 332 R CB 0.209 30.521 30.300 0.021 0.000 0.983 332 R HN 0.917 nan 8.270 nan 0.000 0.450 333 N N 1.969 120.688 118.700 0.032 0.000 3.091 333 N HA 0.037 4.777 4.740 -0.001 0.000 0.185 333 N C -2.804 172.723 175.510 0.028 0.000 1.398 333 N CA -1.019 52.050 53.050 0.033 0.000 0.938 333 N CB 1.045 39.559 38.487 0.045 0.000 1.605 333 N HN 0.200 nan 8.380 nan 0.000 0.597 334 P HA -0.148 nan 4.420 nan 0.000 0.216 334 P C 1.335 178.645 177.300 0.015 0.000 1.150 334 P CA 1.407 64.517 63.100 0.017 0.000 0.837 334 P CB 0.156 31.864 31.700 0.014 0.000 0.786 335 D N -0.838 119.572 120.400 0.017 0.000 2.178 335 D HA -0.229 4.411 4.640 -0.001 0.000 0.201 335 D C 0.681 176.991 176.300 0.017 0.000 0.980 335 D CA 0.954 54.963 54.000 0.015 0.000 0.842 335 D CB -0.663 40.146 40.800 0.016 0.000 0.948 335 D HN 0.097 nan 8.370 nan 0.000 0.472 336 Q N -0.242 119.572 119.800 0.022 0.000 2.424 336 Q HA -0.219 4.121 4.340 -0.001 0.000 0.234 336 Q C 0.147 176.162 176.000 0.026 0.000 0.748 336 Q CA 0.753 56.571 55.803 0.024 0.000 1.286 336 Q CB -1.972 26.776 28.738 0.015 0.000 1.494 336 Q HN 0.673 nan 8.270 nan 0.000 0.683 337 R N 1.595 122.111 120.500 0.027 0.000 2.583 337 R HA 0.078 4.418 4.340 -0.001 0.000 0.274 337 R C 0.046 176.370 176.300 0.039 0.000 0.998 337 R CA 0.876 56.993 56.100 0.029 0.000 1.081 337 R CB 0.341 30.657 30.300 0.027 0.000 0.940 337 R HN 0.098 nan 8.270 nan 0.000 0.413 338 N N 2.468 121.189 118.700 0.035 0.000 2.732 338 N HA -0.017 4.722 4.740 -0.001 0.000 0.235 338 N C 0.156 175.688 175.510 0.037 0.000 1.466 338 N CA 0.083 53.160 53.050 0.044 0.000 0.751 338 N CB 0.869 39.376 38.487 0.033 0.000 1.317 338 N HN 0.741 nan 8.380 nan 0.000 0.525 339 T N -2.148 112.429 114.554 0.038 0.000 2.977 339 T HA -0.163 4.186 4.350 -0.001 0.000 0.271 339 T C 0.793 175.511 174.700 0.030 0.000 1.105 339 T CA 1.687 63.805 62.100 0.030 0.000 1.116 339 T CB -0.142 68.743 68.868 0.027 0.000 0.878 339 T HN 0.419 nan 8.240 nan 0.000 0.509 340 D N 0.121 120.544 120.400 0.038 0.000 2.398 340 D HA 0.100 4.739 4.640 -0.001 0.000 0.210 340 D C 0.405 176.723 176.300 0.030 0.000 1.094 340 D CA -0.270 53.752 54.000 0.036 0.000 0.839 340 D CB -0.563 40.265 40.800 0.046 0.000 0.963 340 D HN 0.577 nan 8.370 nan 0.000 0.506 341 E N 0.545 120.760 120.200 0.026 0.000 2.389 341 E HA -0.205 4.144 4.350 -0.001 0.000 0.243 341 E C -0.755 175.847 176.600 0.004 0.000 1.154 341 E CA 0.795 57.201 56.400 0.010 0.000 0.723 341 E CB -1.519 28.183 29.700 0.004 0.000 1.261 341 E HN 0.735 nan 8.360 nan 0.000 0.390 342 D N -0.498 119.914 120.400 0.020 0.000 2.507 342 D HA 0.207 4.846 4.640 -0.001 0.000 0.280 342 D C 0.980 177.227 176.300 -0.087 0.000 1.219 342 D CA -0.542 53.461 54.000 0.004 0.000 1.085 342 D CB 0.422 41.269 40.800 0.078 0.000 1.134 342 D HN -0.086 nan 8.370 nan 0.000 0.583 343 K N -1.431 118.841 120.400 -0.215 0.000 2.152 343 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 343 K C -0.048 176.154 176.600 -0.664 0.000 1.048 343 K CA 1.035 56.983 56.287 -0.566 0.000 0.933 343 K CB -0.109 31.863 32.500 -0.879 0.000 0.721 343 K HN 0.420 nan 8.250 nan 0.000 0.447 344 W N 0.728 122.040 121.300 0.021 0.000 2.469 344 W HA 0.374 5.034 4.660 -0.001 0.000 0.320 344 W C 0.601 177.131 176.519 0.018 0.000 1.086 344 W CA -1.162 56.195 57.345 0.021 0.000 1.211 344 W CB 0.883 30.358 29.460 0.025 0.000 1.298 344 W HN -0.032 nan 8.180 nan 0.000 0.525 345 G N 1.324 110.276 108.800 0.253 0.000 2.606 345 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.252 345 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.252 345 G C 0.251 175.241 174.900 0.150 0.000 1.206 345 G CA -0.278 44.913 45.100 0.151 0.000 0.861 345 G HN 0.575 nan 8.290 nan 0.000 0.561 346 D N 0.675 121.133 120.400 0.096 0.000 2.190 346 D HA -0.106 4.533 4.640 -0.001 0.000 0.200 346 D C 2.516 178.856 176.300 0.067 0.000 0.992 346 D CA 1.663 55.708 54.000 0.075 0.000 0.854 346 D CB -0.001 40.831 40.800 0.052 0.000 0.936 346 D HN 0.422 nan 8.370 nan 0.000 0.462 347 A N -0.384 122.478 122.820 0.069 0.000 2.252 347 A HA 0.118 4.438 4.320 -0.001 0.000 0.207 347 A C 1.350 178.962 177.584 0.048 0.000 1.194 347 A CA 0.879 52.948 52.037 0.053 0.000 0.809 347 A CB -0.622 18.408 19.000 0.051 0.000 0.814 347 A HN 0.524 nan 8.150 nan 0.000 0.482 348 c N -3.115 115.519 118.600 0.057 0.000 3.961 348 c HA 0.277 4.847 4.570 -0.001 0.000 0.326 348 c C -0.392 173.678 174.090 -0.034 0.000 2.639 348 c CA -0.492 55.841 56.329 0.007 0.000 1.490 348 c CB -1.284 41.236 42.510 0.017 0.000 2.907 348 c HN 0.380 nan 8.230 nan 0.000 0.426 349 D N 2.827 123.249 120.400 0.037 0.000 2.274 349 D HA 0.287 4.927 4.640 -0.001 0.000 0.239 349 D C 1.024 177.322 176.300 -0.003 0.000 1.104 349 D CA 0.094 54.117 54.000 0.038 0.000 0.840 349 D CB 1.045 41.935 40.800 0.149 0.000 1.100 349 D HN 0.495 nan 8.370 nan 0.000 0.477 350 N N 2.247 120.920 118.700 -0.045 0.000 2.521 350 N HA -0.061 4.679 4.740 -0.001 0.000 0.188 350 N C -0.217 175.292 175.510 -0.002 0.000 1.146 350 N CA 0.040 53.072 53.050 -0.031 0.000 0.893 350 N CB -0.186 38.270 38.487 -0.052 0.000 0.975 350 N HN 0.146 nan 8.380 nan 0.000 0.451 351 c N 0.928 119.540 118.600 0.020 0.000 3.465 351 c HA 0.417 4.987 4.570 -0.001 0.000 0.193 351 c C 1.540 175.657 174.090 0.046 0.000 1.515 351 c CA -1.137 55.212 56.329 0.032 0.000 1.340 351 c CB -1.324 41.208 42.510 0.037 0.000 1.928 351 c HN 0.486 nan 8.230 nan 0.000 0.510 352 R N 1.939 122.463 120.500 0.041 0.000 2.362 352 R HA -0.288 4.052 4.340 -0.001 0.000 0.211 352 R C 0.942 177.270 176.300 0.047 0.000 1.022 352 R CA 2.728 58.854 56.100 0.043 0.000 0.630 352 R CB -0.376 29.942 30.300 0.031 0.000 0.874 352 R HN 0.683 nan 8.270 nan 0.000 0.324 353 S N -0.242 115.481 115.700 0.039 0.000 2.062 353 S HA 0.392 4.862 4.470 -0.001 0.000 0.163 353 S C -1.068 173.554 174.600 0.036 0.000 1.612 353 S CA -0.768 57.454 58.200 0.036 0.000 1.251 353 S CB 1.633 64.850 63.200 0.028 0.000 1.174 353 S HN 0.379 nan 8.310 nan 0.000 0.428 354 Q N 1.350 121.177 119.800 0.046 0.000 2.548 354 Q HA 0.286 4.625 4.340 -0.001 0.000 0.232 354 Q C -1.691 174.345 176.000 0.060 0.000 0.838 354 Q CA -0.062 55.768 55.803 0.045 0.000 1.032 354 Q CB 0.851 29.612 28.738 0.038 0.000 1.548 354 Q HN 0.466 nan 8.270 nan 0.000 0.479 355 K N 3.190 123.624 120.400 0.057 0.000 2.430 355 K HA 0.190 4.509 4.320 -0.001 0.000 0.280 355 K C -0.335 176.314 176.600 0.082 0.000 1.063 355 K CA 0.662 56.991 56.287 0.069 0.000 1.071 355 K CB 0.200 32.730 32.500 0.051 0.000 0.899 355 K HN 0.663 nan 8.250 nan 0.000 0.473 356 N N 2.885 121.656 118.700 0.119 0.000 2.785 356 N HA 0.023 4.762 4.740 -0.001 0.000 0.224 356 N C -0.838 174.791 175.510 0.198 0.000 1.448 356 N CA -0.373 52.752 53.050 0.124 0.000 0.748 356 N CB 0.715 39.257 38.487 0.090 0.000 1.385 356 N HN 0.282 nan 8.380 nan 0.000 0.538 357 D N 1.083 121.607 120.400 0.207 0.000 2.104 357 D HA -0.205 4.434 4.640 -0.001 0.000 0.194 357 D C 1.165 177.717 176.300 0.419 0.000 0.994 357 D CA 1.928 56.115 54.000 0.313 0.000 0.830 357 D CB 0.039 40.940 40.800 0.167 0.000 0.959 357 D HN 0.745 nan 8.370 nan 0.000 0.452 358 D N 0.072 120.619 120.400 0.245 0.000 2.392 358 D HA -0.136 4.503 4.640 -0.001 0.000 0.228 358 D C 0.332 176.700 176.300 0.114 0.000 1.003 358 D CA 0.250 54.369 54.000 0.199 0.000 0.917 358 D CB -0.302 40.587 40.800 0.149 0.000 0.890 358 D HN -0.050 nan 8.370 nan 0.000 0.532 359 Q N -0.878 118.966 119.800 0.074 0.000 2.405 359 Q HA -0.281 4.058 4.340 -0.001 0.000 0.265 359 Q C -0.234 175.752 176.000 -0.024 0.000 1.096 359 Q CA 0.959 56.736 55.803 -0.043 0.000 0.982 359 Q CB -2.008 26.583 28.738 -0.245 0.000 1.426 359 Q HN 0.602 nan 8.270 nan 0.000 0.527 360 K N 1.218 121.628 120.400 0.018 0.000 2.550 360 K HA -0.054 4.266 4.320 -0.001 0.000 0.280 360 K C 0.148 176.747 176.600 -0.001 0.000 0.987 360 K CA 0.909 57.204 56.287 0.013 0.000 1.048 360 K CB 0.303 32.818 32.500 0.025 0.000 0.879 360 K HN 0.071 nan 8.250 nan 0.000 0.491 361 D N 2.121 122.517 120.400 -0.006 0.000 2.934 361 D HA 0.027 4.667 4.640 -0.001 0.000 0.249 361 D C 0.575 176.869 176.300 -0.009 0.000 1.293 361 D CA -0.213 53.781 54.000 -0.010 0.000 0.812 361 D CB 0.186 40.975 40.800 -0.018 0.000 1.439 361 D HN 0.570 nan 8.370 nan 0.000 0.555 362 T N -1.090 113.458 114.554 -0.010 0.000 2.684 362 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 362 T C 1.190 175.880 174.700 -0.017 0.000 1.036 362 T CA 1.551 63.642 62.100 -0.016 0.000 1.148 362 T CB -0.172 68.685 68.868 -0.019 0.000 0.863 362 T HN 0.342 nan 8.240 nan 0.000 0.436 363 D N 0.772 121.163 120.400 -0.015 0.000 2.323 363 D HA 0.045 4.685 4.640 -0.001 0.000 0.239 363 D C 0.881 177.174 176.300 -0.011 0.000 1.129 363 D CA -0.071 53.921 54.000 -0.015 0.000 0.865 363 D CB -0.623 40.169 40.800 -0.014 0.000 0.913 363 D HN 0.353 nan 8.370 nan 0.000 0.517 364 Q N 0.696 120.490 119.800 -0.010 0.000 2.374 364 Q HA -0.232 4.107 4.340 -0.001 0.000 0.281 364 Q C 0.324 176.319 176.000 -0.008 0.000 1.154 364 Q CA 1.284 57.083 55.803 -0.008 0.000 0.926 364 Q CB -1.242 27.495 28.738 -0.003 0.000 1.308 364 Q HN 0.647 nan 8.270 nan 0.000 0.520 365 D N -2.617 117.777 120.400 -0.009 0.000 2.340 365 D HA 0.119 4.758 4.640 -0.001 0.000 0.220 365 D C 1.461 177.756 176.300 -0.009 0.000 1.039 365 D CA 0.957 54.952 54.000 -0.008 0.000 0.866 365 D CB -0.101 40.695 40.800 -0.007 0.000 0.913 365 D HN 0.457 nan 8.370 nan 0.000 0.523 366 G N 0.944 109.737 108.800 -0.012 0.000 2.420 366 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.221 366 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.221 366 G C 0.463 175.355 174.900 -0.013 0.000 1.117 366 G CA -0.212 44.880 45.100 -0.015 0.000 0.657 366 G HN 0.351 nan 8.290 nan 0.000 0.512 367 R N 2.705 123.200 120.500 -0.008 0.000 2.343 367 R HA 0.393 4.732 4.340 -0.001 0.000 0.326 367 R C 1.373 177.669 176.300 -0.006 0.000 1.055 367 R CA 0.635 56.732 56.100 -0.005 0.000 0.961 367 R CB 0.120 30.419 30.300 -0.002 0.000 0.978 367 R HN 0.518 nan 8.270 nan 0.000 0.443 368 G N 1.971 110.768 108.800 -0.006 0.000 2.785 368 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.256 368 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.256 368 G C 0.639 175.541 174.900 0.002 0.000 1.248 368 G CA -0.371 44.726 45.100 -0.005 0.000 0.914 368 G HN 0.517 nan 8.290 nan 0.000 0.580 369 D N 0.093 120.497 120.400 0.006 0.000 2.183 369 D HA -0.039 4.601 4.640 -0.001 0.000 0.203 369 D C 2.332 178.640 176.300 0.013 0.000 0.969 369 D CA 1.269 55.274 54.000 0.009 0.000 0.842 369 D CB -0.071 40.736 40.800 0.011 0.000 0.957 369 D HN 0.363 nan 8.370 nan 0.000 0.484 370 A N -0.655 122.177 122.820 0.019 0.000 2.412 370 A HA 0.217 4.536 4.320 -0.001 0.000 0.253 370 A C 1.314 178.910 177.584 0.019 0.000 1.334 370 A CA -0.102 51.948 52.037 0.022 0.000 0.929 370 A CB -0.375 18.643 19.000 0.031 0.000 0.983 370 A HN 0.304 nan 8.150 nan 0.000 0.508 371 c N -2.252 116.356 118.600 0.014 0.000 4.263 371 c HA 0.163 4.732 4.570 -0.001 0.000 0.563 371 c C 0.299 174.394 174.090 0.008 0.000 1.346 371 c CA -0.471 55.865 56.329 0.012 0.000 2.528 371 c CB -0.370 42.147 42.510 0.012 0.000 3.692 371 c HN 0.572 nan 8.230 nan 0.000 0.515 372 D N 2.836 123.239 120.400 0.005 0.000 2.383 372 D HA 0.154 4.794 4.640 -0.001 0.000 0.245 372 D C 0.559 176.860 176.300 0.002 0.000 1.263 372 D CA 0.323 54.324 54.000 0.002 0.000 0.936 372 D CB 0.398 41.197 40.800 -0.001 0.000 1.053 372 D HN 0.511 nan 8.370 nan 0.000 0.507 373 D N 1.676 122.077 120.400 0.002 0.000 2.323 373 D HA -0.086 4.554 4.640 -0.001 0.000 0.239 373 D C -0.285 176.014 176.300 -0.002 0.000 1.129 373 D CA -0.128 53.873 54.000 0.001 0.000 0.865 373 D CB 0.178 40.979 40.800 0.002 0.000 0.913 373 D HN 0.151 nan 8.370 nan 0.000 0.517 374 D N 0.801 121.200 120.400 -0.003 0.000 2.400 374 D HA 0.091 4.731 4.640 -0.001 0.000 0.272 374 D C 1.555 177.851 176.300 -0.007 0.000 1.220 374 D CA -0.666 53.330 54.000 -0.006 0.000 0.897 374 D CB 0.253 41.049 40.800 -0.006 0.000 1.134 374 D HN 0.199 nan 8.370 nan 0.000 0.507 375 I N -0.066 120.500 120.570 -0.007 0.000 2.530 375 I HA -0.087 4.082 4.170 -0.001 0.000 0.257 375 I C 1.095 177.205 176.117 -0.011 0.000 1.179 375 I CA 1.411 62.706 61.300 -0.007 0.000 1.440 375 I CB 0.114 38.111 38.000 -0.005 0.000 1.087 375 I HN 0.043 nan 8.210 nan 0.000 0.440 376 D N 0.956 121.347 120.400 -0.014 0.000 2.423 376 D HA 0.144 4.784 4.640 -0.001 0.000 0.208 376 D C 1.348 177.638 176.300 -0.018 0.000 1.068 376 D CA 0.487 54.476 54.000 -0.019 0.000 0.860 376 D CB -0.222 40.564 40.800 -0.024 0.000 0.992 376 D HN 0.449 nan 8.370 nan 0.000 0.504 377 G N 2.027 110.818 108.800 -0.014 0.000 2.587 377 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.245 377 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.245 377 G C -0.630 174.262 174.900 -0.014 0.000 0.959 377 G CA 0.112 45.204 45.100 -0.013 0.000 1.268 377 G HN 0.527 nan 8.290 nan 0.000 0.448 378 D N 0.378 120.770 120.400 -0.013 0.000 3.007 378 D HA 0.289 4.929 4.640 -0.001 0.000 0.363 378 D C 0.901 177.194 176.300 -0.012 0.000 1.474 378 D CA -0.839 53.153 54.000 -0.014 0.000 0.767 378 D CB -0.196 40.594 40.800 -0.016 0.000 1.227 378 D HN 0.562 nan 8.370 nan 0.000 0.471 379 R N -0.615 119.879 120.500 -0.010 0.000 3.984 379 R HA -0.233 4.106 4.340 -0.001 0.000 0.323 379 R C -0.045 176.251 176.300 -0.008 0.000 1.258 379 R CA 1.226 57.322 56.100 -0.008 0.000 0.998 379 R CB -1.471 28.824 30.300 -0.008 0.000 1.389 379 R HN 0.618 nan 8.270 nan 0.000 0.565 380 I N 0.992 121.556 120.570 -0.009 0.000 2.330 380 I HA 0.208 4.378 4.170 -0.001 0.000 0.289 380 I C 0.272 176.384 176.117 -0.008 0.000 1.001 380 I CA -0.659 60.636 61.300 -0.009 0.000 1.193 380 I CB 0.572 38.566 38.000 -0.010 0.000 1.345 380 I HN 0.025 nan 8.210 nan 0.000 0.461 381 R N 5.103 125.599 120.500 -0.007 0.000 2.694 381 R HA 0.150 4.490 4.340 -0.001 0.000 0.268 381 R C 1.071 177.368 176.300 -0.006 0.000 1.061 381 R CA -0.484 55.613 56.100 -0.005 0.000 1.133 381 R CB 0.297 30.595 30.300 -0.004 0.000 1.020 381 R HN 0.679 nan 8.270 nan 0.000 0.475 382 N N 2.044 120.741 118.700 -0.005 0.000 2.051 382 N HA -0.258 4.481 4.740 -0.001 0.000 0.199 382 N C 1.358 176.865 175.510 -0.005 0.000 1.045 382 N CA 1.934 54.981 53.050 -0.005 0.000 0.884 382 N CB -0.423 38.063 38.487 -0.002 0.000 1.082 382 N HN 0.537 nan 8.380 nan 0.000 0.495 383 Q N -0.166 119.633 119.800 -0.003 0.000 2.515 383 Q HA 0.297 4.636 4.340 -0.001 0.000 0.214 383 Q C 0.041 176.039 176.000 -0.003 0.000 0.971 383 Q CA 0.737 56.539 55.803 -0.003 0.000 0.952 383 Q CB -0.228 28.509 28.738 -0.000 0.000 0.999 383 Q HN 0.371 nan 8.270 nan 0.000 0.524 384 A N 0.302 123.120 122.820 -0.004 0.000 2.959 384 A HA 0.445 4.765 4.320 -0.001 0.000 0.280 384 A C -0.954 176.626 177.584 -0.007 0.000 0.953 384 A CA -0.394 51.640 52.037 -0.005 0.000 1.047 384 A CB 0.179 19.177 19.000 -0.004 0.000 1.147 384 A HN 0.096 nan 8.150 nan 0.000 0.489 385 D N -0.103 120.292 120.400 -0.008 0.000 2.764 385 D HA 0.145 4.785 4.640 -0.001 0.000 0.227 385 D C 0.596 176.889 176.300 -0.013 0.000 1.347 385 D CA -0.298 53.696 54.000 -0.011 0.000 0.953 385 D CB 0.822 41.615 40.800 -0.012 0.000 1.476 385 D HN 0.147 nan 8.370 nan 0.000 0.585 386 N N 1.783 120.474 118.700 -0.014 0.000 2.430 386 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 386 N C 0.004 175.502 175.510 -0.021 0.000 1.032 386 N CA 0.661 53.702 53.050 -0.016 0.000 0.893 386 N CB -0.041 38.436 38.487 -0.016 0.000 0.957 386 N HN 0.207 nan 8.380 nan 0.000 0.442 387 c N 0.375 118.961 118.600 -0.022 0.000 3.164 387 c HA 0.383 4.952 4.570 -0.001 0.000 0.250 387 c C -1.648 172.426 174.090 -0.025 0.000 1.151 387 c CA -1.179 55.133 56.329 -0.028 0.000 1.449 387 c CB 1.142 43.632 42.510 -0.034 0.000 1.825 387 c HN 0.224 nan 8.230 nan 0.000 0.478 388 P HA -0.141 nan 4.420 nan 0.000 0.217 388 P C 1.571 178.859 177.300 -0.021 0.000 1.150 388 P CA 1.425 64.514 63.100 -0.017 0.000 0.832 388 P CB 0.121 31.813 31.700 -0.013 0.000 0.787 389 R N -0.884 119.601 120.500 -0.026 0.000 2.055 389 R HA 0.119 4.458 4.340 -0.001 0.000 0.221 389 R C 0.551 176.827 176.300 -0.039 0.000 1.154 389 R CA 0.581 56.663 56.100 -0.030 0.000 0.975 389 R CB -1.395 28.887 30.300 -0.030 0.000 0.869 389 R HN -0.052 nan 8.270 nan 0.000 0.437 390 V N 4.779 124.664 119.914 -0.048 0.000 2.508 390 V HA 0.154 4.273 4.120 -0.001 0.000 0.281 390 V C -2.181 173.887 176.094 -0.044 0.000 1.041 390 V CA -1.632 60.635 62.300 -0.055 0.000 1.016 390 V CB 0.959 32.742 31.823 -0.067 0.000 0.984 390 V HN 0.171 nan 8.190 nan 0.000 0.478 391 P HA 0.253 nan 4.420 nan 0.000 0.275 391 P C -0.615 176.666 177.300 -0.032 0.000 1.227 391 P CA -0.237 62.843 63.100 -0.033 0.000 0.781 391 P CB 0.413 32.094 31.700 -0.031 0.000 0.906 392 N N 0.237 118.921 118.700 -0.026 0.000 3.153 392 N HA 0.023 4.762 4.740 -0.001 0.000 0.208 392 N C -0.252 175.247 175.510 -0.020 0.000 1.462 392 N CA -0.371 52.664 53.050 -0.024 0.000 0.754 392 N CB -0.219 38.252 38.487 -0.026 0.000 1.558 392 N HN 0.004 nan 8.380 nan 0.000 0.605 393 S N 0.629 116.318 115.700 -0.018 0.000 2.419 393 S HA -0.179 4.290 4.470 -0.001 0.000 0.235 393 S C 1.256 175.847 174.600 -0.014 0.000 1.019 393 S CA 1.740 59.931 58.200 -0.015 0.000 0.982 393 S CB -0.108 63.083 63.200 -0.014 0.000 0.789 393 S HN 0.767 nan 8.310 nan 0.000 0.490 394 D N 0.242 120.633 120.400 -0.015 0.000 2.323 394 D HA -0.066 4.574 4.640 -0.001 0.000 0.209 394 D C 0.537 176.829 176.300 -0.013 0.000 0.973 394 D CA 0.338 54.330 54.000 -0.013 0.000 0.874 394 D CB -0.373 40.419 40.800 -0.013 0.000 0.930 394 D HN 0.126 nan 8.370 nan 0.000 0.521 395 Q N -0.714 119.077 119.800 -0.015 0.000 2.465 395 Q HA -0.180 4.159 4.340 -0.001 0.000 0.248 395 Q C -0.498 175.493 176.000 -0.015 0.000 0.819 395 Q CA 0.691 56.485 55.803 -0.015 0.000 1.219 395 Q CB -2.338 26.392 28.738 -0.013 0.000 1.472 395 Q HN 0.529 nan 8.270 nan 0.000 0.630 396 K N 1.346 121.737 120.400 -0.015 0.000 2.484 396 K HA 0.052 4.372 4.320 -0.001 0.000 0.280 396 K C 0.238 176.829 176.600 -0.015 0.000 1.013 396 K CA 0.487 56.766 56.287 -0.014 0.000 1.029 396 K CB 0.320 32.812 32.500 -0.014 0.000 0.902 396 K HN 0.005 nan 8.250 nan 0.000 0.481 397 D N 1.690 122.082 120.400 -0.013 0.000 2.735 397 D HA 0.117 4.757 4.640 -0.001 0.000 0.291 397 D C 0.236 176.530 176.300 -0.010 0.000 1.205 397 D CA -0.134 53.859 54.000 -0.012 0.000 0.777 397 D CB 0.403 41.195 40.800 -0.012 0.000 1.234 397 D HN 0.298 nan 8.370 nan 0.000 0.520 398 S N 0.696 116.391 115.700 -0.010 0.000 2.407 398 S HA -0.197 4.273 4.470 -0.001 0.000 0.235 398 S C 1.159 175.755 174.600 -0.006 0.000 1.036 398 S CA 1.854 60.050 58.200 -0.008 0.000 1.013 398 S CB 0.047 63.243 63.200 -0.007 0.000 0.820 398 S HN 0.656 nan 8.310 nan 0.000 0.476 399 D N -0.757 119.639 120.400 -0.007 0.000 2.389 399 D HA 0.257 4.896 4.640 -0.001 0.000 0.206 399 D C 1.078 177.375 176.300 -0.005 0.000 1.055 399 D CA 0.603 54.600 54.000 -0.005 0.000 0.856 399 D CB -0.829 39.968 40.800 -0.005 0.000 0.957 399 D HN 0.273 nan 8.370 nan 0.000 0.509 400 G N 1.997 110.793 108.800 -0.007 0.000 2.338 400 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.296 400 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.296 400 G C -0.058 174.839 174.900 -0.006 0.000 1.040 400 G CA 0.486 45.582 45.100 -0.006 0.000 1.004 400 G HN 0.569 nan 8.290 nan 0.000 0.509 401 D N -1.631 118.765 120.400 -0.007 0.000 2.427 401 D HA 0.423 5.062 4.640 -0.001 0.000 0.224 401 D C 1.790 178.086 176.300 -0.007 0.000 1.157 401 D CA 0.297 54.294 54.000 -0.006 0.000 0.828 401 D CB -0.032 40.765 40.800 -0.006 0.000 0.974 401 D HN 1.314 nan 8.370 nan 0.000 0.498 402 G N 0.132 108.928 108.800 -0.007 0.000 2.347 402 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.247 402 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.247 402 G C 0.068 174.962 174.900 -0.011 0.000 1.037 402 G CA 0.296 45.392 45.100 -0.008 0.000 0.622 402 G HN 0.367 nan 8.290 nan 0.000 0.521 403 I N 2.605 123.168 120.570 -0.013 0.000 2.336 403 I HA 0.524 4.694 4.170 -0.001 0.000 0.292 403 I C 1.415 177.520 176.117 -0.020 0.000 0.991 403 I CA -0.435 60.854 61.300 -0.018 0.000 1.227 403 I CB 0.561 38.548 38.000 -0.021 0.000 1.366 403 I HN 0.206 nan 8.210 nan 0.000 0.466 404 G N 4.303 113.089 108.800 -0.023 0.000 2.664 404 G HA2 0.074 4.034 3.960 -0.001 0.000 0.242 404 G HA3 0.074 4.034 3.960 -0.001 0.000 0.242 404 G C 0.554 175.437 174.900 -0.028 0.000 1.225 404 G CA -0.222 44.864 45.100 -0.024 0.000 0.849 404 G HN 0.628 nan 8.290 nan 0.000 0.581 405 D N 1.070 121.455 120.400 -0.026 0.000 2.084 405 D HA -0.111 4.529 4.640 -0.001 0.000 0.196 405 D C 2.738 179.016 176.300 -0.037 0.000 0.985 405 D CA 1.579 55.562 54.000 -0.028 0.000 0.826 405 D CB -0.567 40.220 40.800 -0.022 0.000 0.978 405 D HN 0.442 nan 8.370 nan 0.000 0.456 406 A N 0.335 123.133 122.820 -0.037 0.000 2.159 406 A HA -0.208 4.112 4.320 -0.001 0.000 0.222 406 A C 1.966 179.513 177.584 -0.060 0.000 1.163 406 A CA 1.954 53.964 52.037 -0.044 0.000 0.664 406 A CB -0.672 18.304 19.000 -0.040 0.000 0.803 406 A HN 0.542 nan 8.150 nan 0.000 0.470 407 c N -3.148 115.414 118.600 -0.064 0.000 3.774 407 c HA 0.383 4.953 4.570 -0.001 0.000 0.290 407 c C -0.160 173.878 174.090 -0.087 0.000 2.291 407 c CA -0.613 55.665 56.329 -0.086 0.000 1.609 407 c CB -1.214 41.249 42.510 -0.079 0.000 3.321 407 c HN 0.389 nan 8.230 nan 0.000 0.449 408 D N 2.887 123.247 120.400 -0.067 0.000 2.414 408 D HA 0.113 4.752 4.640 -0.001 0.000 0.242 408 D C 1.272 177.528 176.300 -0.074 0.000 1.129 408 D CA 0.503 54.468 54.000 -0.058 0.000 0.885 408 D CB 0.937 41.715 40.800 -0.038 0.000 1.198 408 D HN 0.620 nan 8.370 nan 0.000 0.437 409 N N 2.161 120.820 118.700 -0.068 0.000 2.461 409 N HA -0.064 4.676 4.740 -0.001 0.000 0.188 409 N C -0.603 174.892 175.510 -0.026 0.000 1.134 409 N CA -0.077 52.932 53.050 -0.069 0.000 0.878 409 N CB -0.161 38.294 38.487 -0.053 0.000 0.972 409 N HN 0.134 nan 8.380 nan 0.000 0.456 410 c N 0.849 119.437 118.600 -0.020 0.000 3.354 410 c HA 0.302 4.872 4.570 -0.001 0.000 0.314 410 c C -1.706 172.380 174.090 -0.006 0.000 1.019 410 c CA -0.889 55.437 56.329 -0.004 0.000 1.293 410 c CB 1.210 43.723 42.510 0.004 0.000 1.747 410 c HN 0.095 nan 8.230 nan 0.000 0.580 411 P HA -0.205 nan 4.420 nan 0.000 0.217 411 P C 1.440 178.736 177.300 -0.005 0.000 1.158 411 P CA 1.894 64.989 63.100 -0.009 0.000 0.887 411 P CB 0.438 32.134 31.700 -0.006 0.000 0.792 412 Q N -1.344 118.455 119.800 -0.001 0.000 2.178 412 Q HA 0.089 4.429 4.340 -0.001 0.000 0.195 412 Q C 0.486 176.486 176.000 0.001 0.000 0.960 412 Q CA 0.839 56.642 55.803 -0.000 0.000 0.843 412 Q CB -0.146 28.593 28.738 0.002 0.000 0.927 412 Q HN 0.101 nan 8.270 nan 0.000 0.487 413 K N 1.675 122.077 120.400 0.003 0.000 2.402 413 K HA 0.158 4.477 4.320 -0.001 0.000 0.285 413 K C -0.628 175.973 176.600 0.001 0.000 1.054 413 K CA 0.035 56.324 56.287 0.003 0.000 1.001 413 K CB 0.818 33.322 32.500 0.007 0.000 0.946 413 K HN 0.058 nan 8.250 nan 0.000 0.473 414 S N 3.931 119.631 115.700 0.001 0.000 2.507 414 S HA -0.024 4.445 4.470 -0.001 0.000 0.299 414 S C 0.412 175.013 174.600 0.001 0.000 1.214 414 S CA -0.407 57.793 58.200 -0.001 0.000 1.137 414 S CB -0.356 62.844 63.200 -0.001 0.000 1.009 414 S HN 0.524 nan 8.310 nan 0.000 0.512 415 N N 4.182 122.882 118.700 -0.000 0.000 2.976 415 N HA 0.194 4.933 4.740 -0.001 0.000 0.255 415 N C -2.435 173.075 175.510 -0.000 0.000 1.312 415 N CA -1.848 51.203 53.050 0.002 0.000 0.897 415 N CB 0.882 39.371 38.487 0.004 0.000 1.184 415 N HN 0.192 nan 8.380 nan 0.000 0.497 416 P HA -0.271 nan 4.420 nan 0.000 0.216 416 P C 0.918 178.217 177.300 -0.000 0.000 1.167 416 P CA 1.806 64.905 63.100 -0.001 0.000 0.933 416 P CB 0.124 31.825 31.700 0.001 0.000 0.793 417 D N -0.669 119.732 120.400 0.002 0.000 2.182 417 D HA -0.214 4.426 4.640 -0.001 0.000 0.201 417 D C 0.616 176.918 176.300 0.004 0.000 0.986 417 D CA 0.839 54.841 54.000 0.004 0.000 0.847 417 D CB -0.923 39.881 40.800 0.007 0.000 0.942 417 D HN 0.231 nan 8.370 nan 0.000 0.467 418 Q N -0.406 119.396 119.800 0.003 0.000 2.487 418 Q HA -0.162 4.177 4.340 -0.001 0.000 0.279 418 Q C -0.151 175.856 176.000 0.011 0.000 1.228 418 Q CA 0.900 56.705 55.803 0.003 0.000 0.873 418 Q CB -2.474 26.261 28.738 -0.006 0.000 1.260 418 Q HN 0.613 nan 8.270 nan 0.000 0.471 419 A N 1.303 124.132 122.820 0.015 0.000 2.520 419 A HA 0.234 4.554 4.320 -0.001 0.000 0.245 419 A C 0.527 178.131 177.584 0.034 0.000 1.072 419 A CA 0.657 52.707 52.037 0.022 0.000 0.761 419 A CB 0.230 19.243 19.000 0.021 0.000 1.004 419 A HN 0.238 nan 8.150 nan 0.000 0.499 420 D N 2.801 123.228 120.400 0.044 0.000 2.886 420 D HA 0.278 4.917 4.640 -0.001 0.000 0.355 420 D C 1.003 177.344 176.300 0.068 0.000 1.274 420 D CA -0.341 53.700 54.000 0.069 0.000 0.836 420 D CB -0.075 40.783 40.800 0.097 0.000 1.109 420 D HN 0.119 nan 8.370 nan 0.000 0.488 421 V N 1.063 121.008 119.914 0.052 0.000 2.313 421 V HA -0.338 3.782 4.120 -0.001 0.000 0.261 421 V C 1.270 177.399 176.094 0.059 0.000 1.096 421 V CA 2.521 64.849 62.300 0.046 0.000 1.090 421 V CB -0.482 31.361 31.823 0.034 0.000 0.683 421 V HN 0.606 nan 8.190 nan 0.000 0.452 422 D N -2.122 118.318 120.400 0.066 0.000 2.615 422 D HA 0.136 4.775 4.640 -0.001 0.000 0.236 422 D C 0.610 176.990 176.300 0.134 0.000 1.233 422 D CA -0.307 53.736 54.000 0.071 0.000 0.829 422 D CB -1.284 39.533 40.800 0.029 0.000 1.024 422 D HN 0.727 nan 8.370 nan 0.000 0.490 423 H N -0.271 118.816 119.070 0.027 0.000 2.626 423 H HA -0.270 4.286 4.556 -0.001 0.000 0.317 423 H C -0.109 175.196 175.328 -0.039 0.000 1.140 423 H CA 0.968 57.031 56.048 0.024 0.000 1.134 423 H CB -0.720 29.047 29.762 0.009 0.000 1.486 423 H HN 0.341 nan 8.280 nan 0.000 0.417 424 D N -1.246 119.242 120.400 0.148 0.000 2.473 424 D HA 0.025 4.665 4.640 -0.001 0.000 0.230 424 D C 0.614 177.024 176.300 0.185 0.000 1.097 424 D CA 0.699 54.739 54.000 0.067 0.000 0.861 424 D CB 0.345 41.175 40.800 0.049 0.000 1.114 424 D HN 0.286 nan 8.370 nan 0.000 0.500 425 F N -0.834 119.152 119.950 0.061 0.000 2.099 425 F HA -0.162 4.365 4.527 -0.001 0.000 0.431 425 F C -0.644 175.180 175.800 0.039 0.000 0.541 425 F CA 0.279 58.310 58.000 0.053 0.000 1.899 425 F CB -1.276 37.768 39.000 0.073 0.000 2.607 425 F HN -0.074 nan 8.300 nan 0.000 0.251 426 V N 0.475 120.517 119.914 0.213 0.000 2.378 426 V HA 0.743 4.862 4.120 -0.001 0.000 0.288 426 V C 0.969 177.116 176.094 0.087 0.000 1.016 426 V CA -0.390 61.981 62.300 0.119 0.000 0.840 426 V CB 1.051 32.933 31.823 0.099 0.000 0.994 426 V HN 0.321 nan 8.190 nan 0.000 0.431 427 G N 2.859 111.696 108.800 0.061 0.000 2.583 427 G HA2 0.151 4.111 3.960 -0.001 0.000 0.275 427 G HA3 0.151 4.111 3.960 -0.001 0.000 0.275 427 G C 0.420 175.343 174.900 0.038 0.000 1.342 427 G CA -0.027 45.100 45.100 0.046 0.000 1.030 427 G HN 0.669 nan 8.290 nan 0.000 0.520 428 D N 0.312 120.730 120.400 0.029 0.000 2.096 428 D HA -0.061 4.578 4.640 -0.001 0.000 0.200 428 D C 2.561 178.874 176.300 0.021 0.000 0.980 428 D CA 1.876 55.891 54.000 0.025 0.000 0.860 428 D CB -0.713 40.099 40.800 0.020 0.000 1.005 428 D HN 0.400 nan 8.370 nan 0.000 0.449 429 A N -0.368 122.462 122.820 0.017 0.000 2.247 429 A HA -0.008 4.312 4.320 -0.001 0.000 0.205 429 A C 1.626 179.220 177.584 0.017 0.000 1.261 429 A CA 0.635 52.681 52.037 0.015 0.000 0.853 429 A CB -0.828 18.179 19.000 0.011 0.000 0.793 429 A HN 0.390 nan 8.150 nan 0.000 0.487 430 c N -1.824 116.789 118.600 0.021 0.000 2.463 430 c HA 0.171 4.741 4.570 -0.001 0.000 0.322 430 c C 0.895 175.002 174.090 0.029 0.000 1.556 430 c CA -0.415 55.928 56.329 0.025 0.000 2.225 430 c CB -0.901 41.626 42.510 0.029 0.000 1.995 430 c HN 0.614 nan 8.230 nan 0.000 0.678 431 D N 2.115 122.535 120.400 0.034 0.000 2.586 431 D HA 0.033 4.672 4.640 -0.001 0.000 0.234 431 D C 0.810 177.125 176.300 0.025 0.000 1.132 431 D CA 0.959 54.979 54.000 0.034 0.000 0.860 431 D CB 0.643 41.465 40.800 0.038 0.000 1.159 431 D HN 0.583 nan 8.370 nan 0.000 0.490 432 S N 1.151 116.864 115.700 0.022 0.000 2.960 432 S HA 0.071 4.540 4.470 -0.001 0.000 0.256 432 S C -0.297 174.309 174.600 0.011 0.000 1.017 432 S CA 0.008 58.217 58.200 0.016 0.000 1.144 432 S CB -0.248 62.962 63.200 0.016 0.000 1.109 432 S HN 0.491 nan 8.310 nan 0.000 0.638 433 D N 2.190 122.597 120.400 0.010 0.000 2.745 433 D HA -0.161 4.479 4.640 -0.001 0.000 0.225 433 D C -0.474 175.827 176.300 0.001 0.000 1.212 433 D CA 0.784 54.784 54.000 0.000 0.000 0.632 433 D CB -1.021 39.774 40.800 -0.009 0.000 0.994 433 D HN 0.464 nan 8.370 nan 0.000 0.407 434 Q N 0.954 120.760 119.800 0.010 0.000 2.462 434 Q HA 0.281 4.620 4.340 -0.001 0.000 0.247 434 Q C -0.761 175.251 176.000 0.019 0.000 1.044 434 Q CA -0.341 55.469 55.803 0.012 0.000 0.803 434 Q CB 1.473 30.219 28.738 0.015 0.000 1.190 434 Q HN 0.228 nan 8.270 nan 0.000 0.507 435 D N 2.146 122.555 120.400 0.014 0.000 2.443 435 D HA 0.033 4.673 4.640 -0.001 0.000 0.281 435 D C 1.081 177.394 176.300 0.022 0.000 1.210 435 D CA -0.140 53.874 54.000 0.024 0.000 0.875 435 D CB 0.650 41.459 40.800 0.014 0.000 1.125 435 D HN 0.423 nan 8.370 nan 0.000 0.503 436 Q N 1.093 120.908 119.800 0.024 0.000 2.291 436 Q HA -0.159 4.181 4.340 -0.001 0.000 0.206 436 Q C 0.212 176.228 176.000 0.025 0.000 0.976 436 Q CA 1.347 57.162 55.803 0.021 0.000 0.875 436 Q CB 0.006 28.756 28.738 0.020 0.000 0.927 436 Q HN 0.284 nan 8.270 nan 0.000 0.450 437 D N -0.541 119.879 120.400 0.034 0.000 2.349 437 D HA 0.125 4.765 4.640 -0.001 0.000 0.214 437 D C 0.995 177.322 176.300 0.046 0.000 1.063 437 D CA 0.410 54.434 54.000 0.040 0.000 0.847 437 D CB -0.066 40.761 40.800 0.045 0.000 0.933 437 D HN 0.378 nan 8.370 nan 0.000 0.513 438 G N 2.303 111.125 108.800 0.037 0.000 2.283 438 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.280 438 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.280 438 G C 0.386 175.316 174.900 0.049 0.000 1.029 438 G CA 0.649 45.767 45.100 0.030 0.000 0.840 438 G HN 0.602 nan 8.290 nan 0.000 0.505 439 D N -0.703 119.738 120.400 0.069 0.000 2.388 439 D HA 0.349 4.988 4.640 -0.001 0.000 0.221 439 D C 1.585 177.927 176.300 0.070 0.000 1.133 439 D CA 0.268 54.332 54.000 0.106 0.000 0.831 439 D CB -0.450 40.439 40.800 0.147 0.000 0.962 439 D HN 1.389 nan 8.370 nan 0.000 0.502 440 G N 0.860 109.645 108.800 -0.024 0.000 2.168 440 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.263 440 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.263 440 G C -0.085 174.609 174.900 -0.343 0.000 0.977 440 G CA 0.142 45.139 45.100 -0.172 0.000 0.659 440 G HN 0.600 nan 8.290 nan 0.000 0.533 441 H N 0.033 119.123 119.070 0.033 0.000 2.708 441 H HA 0.424 4.980 4.556 -0.001 0.000 0.320 441 H C 0.546 175.891 175.328 0.029 0.000 0.991 441 H CA -0.618 55.452 56.048 0.038 0.000 1.243 441 H CB 1.381 31.166 29.762 0.038 0.000 1.446 441 H HN 0.413 nan 8.280 nan 0.000 0.502 442 Q N 2.548 122.416 119.800 0.112 0.000 3.002 442 Q HA -0.160 4.179 4.340 -0.001 0.000 0.384 442 Q C 0.392 176.443 176.000 0.084 0.000 1.084 442 Q CA 0.484 56.335 55.803 0.081 0.000 1.189 442 Q CB 0.417 29.200 28.738 0.076 0.000 1.072 442 Q HN 0.500 nan 8.270 nan 0.000 0.443 443 D N 1.726 122.161 120.400 0.058 0.000 2.149 443 D HA -0.193 4.447 4.640 -0.001 0.000 0.194 443 D C 1.297 177.621 176.300 0.040 0.000 1.001 443 D CA 1.810 55.837 54.000 0.046 0.000 0.849 443 D CB -0.287 40.532 40.800 0.032 0.000 0.939 443 D HN 0.592 nan 8.370 nan 0.000 0.449 444 S N -0.963 114.760 115.700 0.039 0.000 2.653 444 S HA -0.028 4.441 4.470 -0.001 0.000 0.233 444 S C 1.265 175.888 174.600 0.038 0.000 0.970 444 S CA 0.485 58.705 58.200 0.033 0.000 0.947 444 S CB -0.049 63.169 63.200 0.030 0.000 0.771 444 S HN 0.151 nan 8.310 nan 0.000 0.538 445 R N -0.460 120.071 120.500 0.051 0.000 2.504 445 R HA 0.187 4.527 4.340 -0.001 0.000 0.341 445 R C -1.003 175.320 176.300 0.038 0.000 0.905 445 R CA -0.163 55.971 56.100 0.057 0.000 1.133 445 R CB 0.404 30.764 30.300 0.100 0.000 1.704 445 R HN 0.203 nan 8.270 nan 0.000 0.503 446 D N 1.310 121.734 120.400 0.039 0.000 2.313 446 D HA -0.005 4.634 4.640 -0.001 0.000 0.239 446 D C 0.402 176.683 176.300 -0.032 0.000 1.142 446 D CA -0.111 53.889 54.000 -0.001 0.000 0.847 446 D CB 0.954 41.787 40.800 0.055 0.000 1.082 446 D HN 0.110 nan 8.370 nan 0.000 0.480 447 N N 2.284 120.938 118.700 -0.077 0.000 2.521 447 N HA -0.062 4.678 4.740 -0.001 0.000 0.188 447 N C -0.476 175.008 175.510 -0.043 0.000 1.146 447 N CA -0.100 52.914 53.050 -0.059 0.000 0.893 447 N CB -0.242 38.197 38.487 -0.080 0.000 0.975 447 N HN 0.092 nan 8.380 nan 0.000 0.451 448 c N 0.786 119.366 118.600 -0.033 0.000 3.418 448 c HA 0.365 4.935 4.570 -0.001 0.000 0.238 448 c C -1.682 172.411 174.090 0.006 0.000 1.205 448 c CA -0.994 55.328 56.329 -0.012 0.000 1.376 448 c CB 1.144 43.647 42.510 -0.011 0.000 1.826 448 c HN 0.157 nan 8.230 nan 0.000 0.513 449 P HA -0.087 nan 4.420 nan 0.000 0.219 449 P C 1.307 178.622 177.300 0.025 0.000 1.146 449 P CA 1.677 64.791 63.100 0.023 0.000 0.808 449 P CB 0.201 31.912 31.700 0.019 0.000 0.779 450 T N -2.517 112.049 114.554 0.020 0.000 3.014 450 T HA 0.132 4.481 4.350 -0.001 0.000 0.250 450 T C 0.591 175.305 174.700 0.023 0.000 1.060 450 T CA 0.144 62.257 62.100 0.021 0.000 1.040 450 T CB 0.117 68.996 68.868 0.017 0.000 0.971 450 T HN -0.163 nan 8.240 nan 0.000 0.497 451 V N 3.064 122.991 119.914 0.022 0.000 2.384 451 V HA 0.367 4.486 4.120 -0.001 0.000 0.287 451 V C -2.825 173.287 176.094 0.031 0.000 1.020 451 V CA -2.878 59.435 62.300 0.023 0.000 0.850 451 V CB 1.242 33.075 31.823 0.016 0.000 0.987 451 V HN -0.028 nan 8.190 nan 0.000 0.436 452 P HA 0.162 nan 4.420 nan 0.000 0.269 452 P C -0.376 176.958 177.300 0.058 0.000 1.263 452 P CA 0.185 63.320 63.100 0.059 0.000 0.813 452 P CB 0.057 31.792 31.700 0.058 0.000 0.868 453 N N 1.403 120.142 118.700 0.064 0.000 2.752 453 N HA 0.062 4.802 4.740 -0.001 0.000 0.260 453 N C 0.165 175.716 175.510 0.068 0.000 1.562 453 N CA -0.478 52.599 53.050 0.045 0.000 0.788 453 N CB 0.119 38.608 38.487 0.002 0.000 1.192 453 N HN -0.079 nan 8.380 nan 0.000 0.503 454 S N 0.393 116.183 115.700 0.150 0.000 2.420 454 S HA -0.149 4.321 4.470 -0.001 0.000 0.237 454 S C 1.725 176.438 174.600 0.189 0.000 1.023 454 S CA 1.458 59.816 58.200 0.263 0.000 0.991 454 S CB -0.008 63.339 63.200 0.246 0.000 0.792 454 S HN 0.751 nan 8.310 nan 0.000 0.488 455 A N 0.198 123.051 122.820 0.055 0.000 2.169 455 A HA 0.075 4.395 4.320 -0.001 0.000 0.212 455 A C 0.842 178.380 177.584 -0.076 0.000 1.153 455 A CA 0.302 52.321 52.037 -0.030 0.000 0.756 455 A CB -0.111 18.839 19.000 -0.083 0.000 0.813 455 A HN 0.319 nan 8.150 nan 0.000 0.471 456 Q N -0.629 119.106 119.800 -0.108 0.000 2.481 456 Q HA -0.193 4.146 4.340 -0.001 0.000 0.272 456 Q C -0.954 174.967 176.000 -0.130 0.000 1.157 456 Q CA 1.208 56.908 55.803 -0.171 0.000 0.935 456 Q CB -2.140 26.428 28.738 -0.282 0.000 1.338 456 Q HN 0.880 nan 8.270 nan 0.000 0.494 457 E N 1.361 121.504 120.200 -0.096 0.000 2.498 457 E HA 0.154 4.503 4.350 -0.001 0.000 0.252 457 E C 0.044 176.583 176.600 -0.101 0.000 1.025 457 E CA 0.377 56.722 56.400 -0.091 0.000 0.938 457 E CB 0.333 30.000 29.700 -0.054 0.000 0.947 457 E HN 0.075 nan 8.360 nan 0.000 0.478 458 D N 2.192 122.504 120.400 -0.148 0.000 2.389 458 D HA 0.211 4.851 4.640 -0.001 0.000 0.256 458 D C -0.072 176.112 176.300 -0.194 0.000 1.239 458 D CA -0.334 53.574 54.000 -0.154 0.000 0.925 458 D CB 0.762 41.459 40.800 -0.172 0.000 1.145 458 D HN 0.176 nan 8.370 nan 0.000 0.542 459 S N 1.940 117.590 115.700 -0.082 0.000 2.335 459 S HA -0.131 4.339 4.470 -0.001 0.000 0.217 459 S C 1.114 175.785 174.600 0.118 0.000 1.032 459 S CA 1.175 59.368 58.200 -0.012 0.000 0.985 459 S CB -0.095 63.095 63.200 -0.016 0.000 0.896 459 S HN 0.724 nan 8.310 nan 0.000 0.445 460 D N 0.346 120.789 120.400 0.072 0.000 2.379 460 D HA -0.061 4.578 4.640 -0.001 0.000 0.243 460 D C -0.195 176.208 176.300 0.172 0.000 1.088 460 D CA 0.247 54.307 54.000 0.100 0.000 0.925 460 D CB -1.071 39.752 40.800 0.037 0.000 0.888 460 D HN 0.427 nan 8.370 nan 0.000 0.529 461 H N -0.518 118.535 119.070 -0.029 0.000 2.781 461 H HA -0.170 4.386 4.556 -0.001 0.000 0.301 461 H C 0.384 175.699 175.328 -0.023 0.000 1.124 461 H CA 1.013 57.045 56.048 -0.027 0.000 1.154 461 H CB -1.552 28.194 29.762 -0.026 0.000 1.355 461 H HN 0.470 nan 8.280 nan 0.000 0.385 462 D N -1.619 118.810 120.400 0.049 0.000 2.339 462 D HA 0.205 4.845 4.640 -0.001 0.000 0.217 462 D C 1.924 178.228 176.300 0.006 0.000 1.050 462 D CA 0.834 54.852 54.000 0.029 0.000 0.856 462 D CB 0.005 40.816 40.800 0.019 0.000 0.922 462 D HN 0.561 nan 8.370 nan 0.000 0.518 463 G N 0.962 109.755 108.800 -0.011 0.000 2.475 463 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.209 463 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.209 463 G C 0.158 175.041 174.900 -0.029 0.000 1.127 463 G CA 0.046 45.133 45.100 -0.020 0.000 0.681 463 G HN 0.665 nan 8.290 nan 0.000 0.517 464 Q N 1.364 121.150 119.800 -0.022 0.000 2.322 464 Q HA 0.620 4.960 4.340 -0.001 0.000 0.256 464 Q C 0.730 176.712 176.000 -0.031 0.000 0.960 464 Q CA -0.163 55.626 55.803 -0.024 0.000 0.934 464 Q CB 1.393 30.123 28.738 -0.013 0.000 1.200 464 Q HN 0.867 nan 8.270 nan 0.000 0.435 465 G N 2.845 111.619 108.800 -0.043 0.000 2.750 465 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.250 465 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.250 465 G C -0.239 174.643 174.900 -0.031 0.000 1.230 465 G CA -0.158 44.911 45.100 -0.051 0.000 0.883 465 G HN 0.810 nan 8.290 nan 0.000 0.573 466 D N 0.268 120.651 120.400 -0.029 0.000 2.097 466 D HA -0.050 4.590 4.640 -0.001 0.000 0.197 466 D C 2.699 178.999 176.300 0.000 0.000 0.984 466 D CA 1.663 55.657 54.000 -0.010 0.000 0.826 466 D CB -0.415 40.383 40.800 -0.003 0.000 0.973 466 D HN 0.428 nan 8.370 nan 0.000 0.460 467 A N 0.281 123.100 122.820 -0.002 0.000 2.148 467 A HA -0.180 4.140 4.320 -0.001 0.000 0.222 467 A C 1.450 179.037 177.584 0.006 0.000 1.161 467 A CA 1.620 53.660 52.037 0.005 0.000 0.662 467 A CB -0.804 18.198 19.000 0.003 0.000 0.799 467 A HN 0.545 nan 8.150 nan 0.000 0.466 468 c N -2.589 116.012 118.600 0.002 0.000 3.327 468 c HA 0.697 5.267 4.570 -0.001 0.000 0.192 468 c C -0.886 173.204 174.090 0.002 0.000 1.603 468 c CA -1.065 55.266 56.329 0.003 0.000 1.222 468 c CB -0.650 41.861 42.510 0.002 0.000 1.981 468 c HN 0.393 nan 8.230 nan 0.000 0.563 469 D N -0.157 120.245 120.400 0.005 0.000 2.583 469 D HA 0.347 4.987 4.640 -0.001 0.000 0.248 469 D C -0.634 175.672 176.300 0.010 0.000 1.209 469 D CA -0.236 53.766 54.000 0.004 0.000 0.848 469 D CB 2.627 43.427 40.800 0.000 0.000 1.431 469 D HN 0.233 nan 8.370 nan 0.000 0.436 470 D N -0.264 120.141 120.400 0.010 0.000 2.473 470 D HA 0.079 4.718 4.640 -0.001 0.000 0.242 470 D C -0.566 175.742 176.300 0.014 0.000 1.106 470 D CA 0.230 54.238 54.000 0.013 0.000 0.854 470 D CB 1.082 41.888 40.800 0.011 0.000 1.192 470 D HN 0.185 nan 8.370 nan 0.000 0.503 471 D N 0.979 121.385 120.400 0.010 0.000 2.400 471 D HA 0.107 4.746 4.640 -0.001 0.000 0.272 471 D C 0.306 176.608 176.300 0.005 0.000 1.220 471 D CA -0.265 53.740 54.000 0.008 0.000 0.897 471 D CB 0.759 41.562 40.800 0.006 0.000 1.134 471 D HN -0.275 nan 8.370 nan 0.000 0.507 472 D N 0.928 121.332 120.400 0.006 0.000 2.265 472 D HA -0.152 4.487 4.640 -0.001 0.000 0.208 472 D C 1.055 177.350 176.300 -0.009 0.000 0.977 472 D CA 1.016 55.015 54.000 -0.001 0.000 0.871 472 D CB 0.392 41.194 40.800 0.004 0.000 0.925 472 D HN 0.580 nan 8.370 nan 0.000 0.485 473 D N -1.757 118.635 120.400 -0.013 0.000 2.454 473 D HA -0.039 4.601 4.640 -0.001 0.000 0.214 473 D C -0.030 176.266 176.300 -0.008 0.000 1.088 473 D CA -0.182 53.808 54.000 -0.017 0.000 0.855 473 D CB -0.138 40.638 40.800 -0.041 0.000 1.025 473 D HN -0.228 nan 8.370 nan 0.000 0.502 474 N N 1.117 119.814 118.700 -0.004 0.000 2.771 474 N HA -0.131 4.609 4.740 -0.001 0.000 0.249 474 N C -0.526 174.981 175.510 -0.006 0.000 1.069 474 N CA 1.143 54.191 53.050 -0.003 0.000 0.688 474 N CB -1.592 36.896 38.487 0.001 0.000 0.928 474 N HN 0.653 nan 8.380 nan 0.000 0.551 475 D N -2.359 118.037 120.400 -0.007 0.000 2.338 475 D HA 0.321 4.960 4.640 -0.001 0.000 0.208 475 D C 1.556 177.854 176.300 -0.004 0.000 0.997 475 D CA 1.065 55.060 54.000 -0.008 0.000 0.880 475 D CB 0.206 40.999 40.800 -0.011 0.000 0.980 475 D HN 0.491 nan 8.370 nan 0.000 0.509 476 G N -0.044 108.756 108.800 -0.001 0.000 3.426 476 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.196 476 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.196 476 G C -0.104 174.799 174.900 0.004 0.000 1.763 476 G CA -0.224 44.877 45.100 0.001 0.000 1.210 476 G HN 0.452 nan 8.290 nan 0.000 0.472 477 V N 2.943 122.860 119.914 0.006 0.000 2.458 477 V HA 0.381 4.501 4.120 -0.001 0.000 0.287 477 V C -1.549 174.553 176.094 0.013 0.000 1.009 477 V CA -0.762 61.544 62.300 0.010 0.000 1.091 477 V CB 0.262 32.093 31.823 0.013 0.000 0.960 477 V HN 0.323 nan 8.190 nan 0.000 0.476 478 P HA 0.102 nan 4.420 nan 0.000 0.271 478 P C 0.585 177.900 177.300 0.026 0.000 1.244 478 P CA -0.208 62.903 63.100 0.017 0.000 0.793 478 P CB 0.569 32.279 31.700 0.016 0.000 0.984 479 D N 0.140 120.558 120.400 0.030 0.000 2.127 479 D HA -0.189 4.451 4.640 -0.001 0.000 0.190 479 D C 1.879 178.206 176.300 0.044 0.000 1.000 479 D CA 2.272 56.300 54.000 0.047 0.000 0.839 479 D CB -1.175 39.654 40.800 0.047 0.000 0.955 479 D HN 0.434 nan 8.370 nan 0.000 0.446 480 S N -0.548 115.170 115.700 0.031 0.000 2.441 480 S HA -0.214 4.255 4.470 -0.001 0.000 0.242 480 S C 1.235 175.850 174.600 0.024 0.000 1.018 480 S CA 0.884 59.099 58.200 0.025 0.000 0.988 480 S CB -0.052 63.159 63.200 0.019 0.000 0.778 480 S HN 0.188 nan 8.310 nan 0.000 0.498 481 R N 0.488 121.004 120.500 0.026 0.000 2.921 481 R HA 0.326 4.666 4.340 -0.001 0.000 0.269 481 R C -2.388 173.931 176.300 0.032 0.000 1.696 481 R CA -0.129 55.987 56.100 0.027 0.000 1.161 481 R CB 0.778 31.089 30.300 0.019 0.000 1.337 481 R HN 0.171 nan 8.270 nan 0.000 0.496 482 D N 2.057 122.485 120.400 0.046 0.000 2.763 482 D HA 0.049 4.688 4.640 -0.001 0.000 0.235 482 D C 0.375 176.723 176.300 0.079 0.000 1.334 482 D CA -0.525 53.507 54.000 0.053 0.000 0.950 482 D CB 1.275 42.106 40.800 0.052 0.000 1.433 482 D HN 0.520 nan 8.370 nan 0.000 0.580 483 N N 1.847 120.589 118.700 0.070 0.000 2.120 483 N HA -0.111 4.628 4.740 -0.001 0.000 0.188 483 N C 0.437 176.043 175.510 0.160 0.000 1.024 483 N CA 0.938 54.042 53.050 0.090 0.000 0.852 483 N CB -0.177 38.347 38.487 0.061 0.000 1.003 483 N HN 0.189 nan 8.380 nan 0.000 0.424 484 c N 1.477 120.151 118.600 0.123 0.000 2.125 484 c HA 0.376 4.946 4.570 -0.001 0.000 0.355 484 c C 1.351 175.466 174.090 0.041 0.000 1.047 484 c CA -0.917 55.477 56.329 0.108 0.000 1.501 484 c CB -1.121 41.399 42.510 0.016 0.000 1.783 484 c HN 0.425 nan 8.230 nan 0.000 0.455 485 R N 1.536 122.143 120.500 0.178 0.000 2.323 485 R HA 0.147 4.486 4.340 -0.001 0.000 0.198 485 R C 0.958 177.215 176.300 -0.073 0.000 0.988 485 R CA 0.833 57.016 56.100 0.139 0.000 1.041 485 R CB 0.188 30.720 30.300 0.387 0.000 0.926 485 R HN 0.716 nan 8.270 nan 0.000 0.476 486 L N -0.196 120.801 121.223 -0.376 0.000 2.948 486 L HA 0.190 4.530 4.340 -0.001 0.000 0.259 486 L C -0.217 176.506 176.870 -0.246 0.000 1.136 486 L CA -0.010 54.615 54.840 -0.358 0.000 0.959 486 L CB 1.438 43.140 42.059 -0.594 0.000 1.370 486 L HN -0.126 nan 8.230 nan 0.000 0.552 487 V N -1.909 117.866 119.914 -0.232 0.000 2.513 487 V HA 0.487 4.607 4.120 -0.001 0.000 0.299 487 V C -2.532 173.514 176.094 -0.079 0.000 1.035 487 V CA -2.314 59.906 62.300 -0.134 0.000 0.889 487 V CB 1.108 32.858 31.823 -0.122 0.000 0.988 487 V HN -0.034 nan 8.190 nan 0.000 0.440 488 P HA 0.153 nan 4.420 nan 0.000 0.252 488 P C -0.613 176.671 177.300 -0.028 0.000 1.727 488 P CA 0.060 63.139 63.100 -0.035 0.000 1.134 488 P CB -0.338 31.345 31.700 -0.029 0.000 1.876 489 N N 3.612 122.298 118.700 -0.023 0.000 2.401 489 N HA 0.126 4.866 4.740 -0.001 0.000 0.255 489 N C -2.113 173.393 175.510 -0.007 0.000 1.110 489 N CA -1.787 51.255 53.050 -0.013 0.000 0.949 489 N CB 0.214 38.697 38.487 -0.007 0.000 1.110 489 N HN 0.081 nan 8.380 nan 0.000 0.490 490 P HA -0.091 nan 4.420 nan 0.000 0.207 490 P C 0.705 178.004 177.300 -0.002 0.000 0.938 490 P CA 1.189 64.286 63.100 -0.005 0.000 0.948 490 P CB -0.328 31.368 31.700 -0.006 0.000 0.643 491 G N 1.225 110.025 108.800 -0.001 0.000 2.734 491 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.287 491 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.287 491 G C 0.192 175.095 174.900 0.004 0.000 0.728 491 G CA -0.147 44.954 45.100 0.002 0.000 1.999 491 G HN 0.289 nan 8.290 nan 0.000 0.535 492 Q N 1.619 121.423 119.800 0.005 0.000 2.628 492 Q HA -0.037 4.302 4.340 -0.001 0.000 0.234 492 Q C 0.182 176.189 176.000 0.012 0.000 1.348 492 Q CA 0.340 56.149 55.803 0.009 0.000 0.865 492 Q CB 0.057 28.802 28.738 0.012 0.000 1.671 492 Q HN 0.754 nan 8.270 nan 0.000 0.552 493 E N 2.179 122.386 120.200 0.011 0.000 2.299 493 E HA 0.385 4.734 4.350 -0.001 0.000 0.260 493 E C -1.415 175.194 176.600 0.015 0.000 0.944 493 E CA -0.832 55.575 56.400 0.012 0.000 0.815 493 E CB 1.492 31.197 29.700 0.009 0.000 1.252 493 E HN 0.395 nan 8.360 nan 0.000 0.418 494 D N -0.094 120.315 120.400 0.015 0.000 2.479 494 D HA 0.468 5.108 4.640 -0.001 0.000 0.246 494 D C 0.151 176.459 176.300 0.014 0.000 1.336 494 D CA -0.160 53.851 54.000 0.018 0.000 0.967 494 D CB 1.408 42.222 40.800 0.023 0.000 1.275 494 D HN 0.442 nan 8.370 nan 0.000 0.577 495 A N 3.673 126.500 122.820 0.012 0.000 1.858 495 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 495 A C 1.462 179.051 177.584 0.009 0.000 1.190 495 A CA 1.587 53.630 52.037 0.010 0.000 0.617 495 A CB -0.434 18.571 19.000 0.009 0.000 0.827 495 A HN 0.745 nan 8.150 nan 0.000 0.443 496 D N -1.255 119.151 120.400 0.011 0.000 2.396 496 D HA 0.010 4.649 4.640 -0.001 0.000 0.255 496 D C 0.355 176.660 176.300 0.009 0.000 1.224 496 D CA 0.053 54.059 54.000 0.009 0.000 0.894 496 D CB -0.403 40.403 40.800 0.010 0.000 0.939 496 D HN 0.092 nan 8.370 nan 0.000 0.506 497 R N 1.561 122.066 120.500 0.009 0.000 3.266 497 R HA -0.176 4.164 4.340 -0.001 0.000 0.245 497 R C -0.919 175.386 176.300 0.007 0.000 0.941 497 R CA 0.576 56.680 56.100 0.008 0.000 0.638 497 R CB -1.958 28.346 30.300 0.005 0.000 1.019 497 R HN 0.673 nan 8.270 nan 0.000 0.462 498 D N -3.524 116.882 120.400 0.010 0.000 2.552 498 D HA 0.401 5.041 4.640 -0.001 0.000 0.239 498 D C 1.182 177.491 176.300 0.013 0.000 1.139 498 D CA -0.158 53.848 54.000 0.009 0.000 0.914 498 D CB 0.445 41.250 40.800 0.008 0.000 1.461 498 D HN -0.009 nan 8.370 nan 0.000 0.462 499 G N 0.567 109.372 108.800 0.009 0.000 2.808 499 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.225 499 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.225 499 G C 0.880 175.799 174.900 0.032 0.000 1.210 499 G CA 1.686 46.793 45.100 0.012 0.000 0.777 499 G HN 0.606 nan 8.290 nan 0.000 0.640 500 V N 1.402 121.341 119.914 0.042 0.000 2.963 500 V HA 0.556 4.675 4.120 -0.001 0.000 0.306 500 V C 1.266 177.399 176.094 0.065 0.000 1.077 500 V CA 0.244 62.593 62.300 0.081 0.000 1.124 500 V CB 0.857 32.738 31.823 0.097 0.000 0.987 500 V HN 0.570 nan 8.190 nan 0.000 0.487 501 G N 3.469 112.313 108.800 0.074 0.000 2.535 501 G HA2 0.239 4.198 3.960 -0.001 0.000 0.282 501 G HA3 0.239 4.198 3.960 -0.001 0.000 0.282 501 G C 0.192 175.115 174.900 0.039 0.000 1.350 501 G CA 0.209 45.337 45.100 0.047 0.000 1.039 501 G HN 0.762 nan 8.290 nan 0.000 0.509 502 D N -1.228 119.187 120.400 0.024 0.000 2.213 502 D HA -0.042 4.597 4.640 -0.001 0.000 0.205 502 D C 2.695 179.004 176.300 0.014 0.000 0.961 502 D CA 0.623 54.634 54.000 0.018 0.000 0.853 502 D CB 0.043 40.851 40.800 0.012 0.000 0.967 502 D HN 0.119 nan 8.370 nan 0.000 0.496 503 V N 1.266 121.185 119.914 0.007 0.000 2.273 503 V HA -0.160 3.960 4.120 -0.001 0.000 0.242 503 V C 2.408 178.502 176.094 0.000 0.000 1.035 503 V CA 1.369 63.667 62.300 -0.002 0.000 1.013 503 V CB -1.208 30.606 31.823 -0.016 0.000 0.652 503 V HN 0.394 nan 8.190 nan 0.000 0.452 504 c N 0.729 119.329 118.600 0.001 0.000 2.340 504 c HA 0.238 4.807 4.570 -0.001 0.000 0.375 504 c C 2.258 176.390 174.090 0.070 0.000 1.306 504 c CA -0.330 56.005 56.329 0.011 0.000 1.622 504 c CB -1.565 40.920 42.510 -0.040 0.000 1.719 504 c HN 0.559 nan 8.230 nan 0.000 0.592 505 Q N 2.274 122.104 119.800 0.051 0.000 2.002 505 Q HA -0.157 4.182 4.340 -0.001 0.000 0.204 505 Q C 1.230 177.268 176.000 0.064 0.000 0.988 505 Q CA 2.492 58.328 55.803 0.056 0.000 0.843 505 Q CB -0.256 28.503 28.738 0.035 0.000 0.908 505 Q HN 0.710 nan 8.270 nan 0.000 0.420 506 D N -0.511 119.920 120.400 0.053 0.000 2.363 506 D HA 0.117 4.757 4.640 -0.001 0.000 0.214 506 D C -0.909 175.431 176.300 0.068 0.000 1.093 506 D CA 0.155 54.186 54.000 0.053 0.000 0.837 506 D CB 0.528 41.349 40.800 0.035 0.000 0.948 506 D HN 0.102 nan 8.370 nan 0.000 0.507 507 D N -0.224 120.226 120.400 0.083 0.000 2.586 507 D HA -0.027 4.612 4.640 -0.001 0.000 0.254 507 D C 0.196 176.555 176.300 0.100 0.000 1.248 507 D CA -0.522 53.526 54.000 0.079 0.000 0.843 507 D CB -0.341 40.481 40.800 0.036 0.000 1.332 507 D HN -0.075 nan 8.370 nan 0.000 0.523 508 F N 2.148 122.103 119.950 0.009 0.000 2.307 508 F HA -0.117 4.410 4.527 -0.001 0.000 0.301 508 F C 1.371 177.177 175.800 0.010 0.000 1.076 508 F CA 1.563 59.569 58.000 0.009 0.000 1.383 508 F CB 0.480 39.486 39.000 0.010 0.000 1.055 508 F HN 0.223 nan 8.300 nan 0.000 0.526 509 D N -0.954 119.408 120.400 -0.063 0.000 2.479 509 D HA 0.215 4.855 4.640 -0.001 0.000 0.218 509 D C 1.224 177.472 176.300 -0.088 0.000 1.177 509 D CA 0.624 54.547 54.000 -0.130 0.000 0.830 509 D CB -0.328 40.476 40.800 0.007 0.000 1.014 509 D HN 0.211 nan 8.370 nan 0.000 0.503 510 A N 2.118 124.895 122.820 -0.071 0.000 2.829 510 A HA -0.267 4.053 4.320 -0.001 0.000 0.267 510 A C 0.985 178.555 177.584 -0.023 0.000 1.370 510 A CA 1.513 53.522 52.037 -0.048 0.000 0.900 510 A CB -2.257 16.701 19.000 -0.069 0.000 1.044 510 A HN 0.533 nan 8.150 nan 0.000 0.691 511 D N -1.384 119.011 120.400 -0.008 0.000 2.325 511 D HA 0.263 4.902 4.640 -0.001 0.000 0.234 511 D C 0.623 176.926 176.300 0.006 0.000 1.122 511 D CA 0.444 54.445 54.000 0.001 0.000 0.850 511 D CB -0.149 40.657 40.800 0.010 0.000 0.921 511 D HN 0.520 nan 8.370 nan 0.000 0.513 512 K N -1.412 118.991 120.400 0.005 0.000 3.193 512 K HA -0.142 4.178 4.320 -0.001 0.000 0.294 512 K C -0.849 175.759 176.600 0.013 0.000 1.185 512 K CA 0.811 57.102 56.287 0.007 0.000 0.866 512 K CB -1.431 31.071 32.500 0.003 0.000 1.227 512 K HN 0.240 nan 8.250 nan 0.000 0.467 513 V N 1.381 121.307 119.914 0.019 0.000 2.409 513 V HA 0.310 4.429 4.120 -0.001 0.000 0.291 513 V C 0.363 176.475 176.094 0.031 0.000 1.020 513 V CA -1.044 61.270 62.300 0.023 0.000 0.848 513 V CB 1.777 33.615 31.823 0.025 0.000 0.990 513 V HN 0.024 nan 8.190 nan 0.000 0.430 514 V N 3.797 123.728 119.914 0.028 0.000 2.788 514 V HA 0.010 4.129 4.120 -0.001 0.000 0.307 514 V C 1.460 177.577 176.094 0.039 0.000 1.069 514 V CA 0.079 62.398 62.300 0.032 0.000 1.173 514 V CB 0.277 32.114 31.823 0.024 0.000 0.925 514 V HN 0.889 nan 8.190 nan 0.000 0.492 515 D N 2.966 123.395 120.400 0.048 0.000 2.149 515 D HA -0.198 4.442 4.640 -0.001 0.000 0.194 515 D C 1.933 178.255 176.300 0.037 0.000 1.001 515 D CA 1.769 55.801 54.000 0.053 0.000 0.849 515 D CB 0.012 40.844 40.800 0.053 0.000 0.939 515 D HN 0.667 nan 8.370 nan 0.000 0.449 516 K N 0.241 120.656 120.400 0.026 0.000 2.074 516 K HA -0.080 4.240 4.320 -0.001 0.000 0.209 516 K C 2.181 178.791 176.600 0.016 0.000 1.048 516 K CA 0.880 57.177 56.287 0.017 0.000 0.926 516 K CB -0.147 32.359 32.500 0.010 0.000 0.713 516 K HN 0.285 nan 8.250 nan 0.000 0.444 517 I N -0.017 120.564 120.570 0.019 0.000 3.035 517 I HA -0.035 4.134 4.170 -0.001 0.000 0.271 517 I C 0.459 176.591 176.117 0.025 0.000 1.190 517 I CA -0.092 61.217 61.300 0.016 0.000 1.472 517 I CB -0.066 37.941 38.000 0.013 0.000 1.116 517 I HN 0.047 nan 8.210 nan 0.000 0.443 518 D N 1.842 122.264 120.400 0.037 0.000 2.389 518 D HA 0.000 4.640 4.640 -0.001 0.000 0.263 518 D C 1.157 177.497 176.300 0.065 0.000 1.255 518 D CA 0.302 54.333 54.000 0.051 0.000 0.914 518 D CB 1.427 42.263 40.800 0.061 0.000 1.116 518 D HN -0.148 nan 8.370 nan 0.000 0.502 519 V N 3.262 123.220 119.914 0.073 0.000 2.594 519 V HA -0.195 3.925 4.120 -0.001 0.000 0.253 519 V C 0.881 177.069 176.094 0.155 0.000 1.069 519 V CA 1.045 63.414 62.300 0.115 0.000 1.082 519 V CB -0.013 31.880 31.823 0.116 0.000 0.680 519 V HN 0.716 nan 8.190 nan 0.000 0.469 520 c N 0.826 119.500 118.600 0.123 0.000 3.287 520 c HA 0.308 4.878 4.570 -0.001 0.000 0.260 520 c C -1.640 172.512 174.090 0.103 0.000 1.133 520 c CA -0.788 55.610 56.329 0.114 0.000 1.402 520 c CB 1.031 43.593 42.510 0.087 0.000 1.832 520 c HN 0.363 nan 8.230 nan 0.000 0.509 521 P HA 0.035 nan 4.420 nan 0.000 0.256 521 P C 0.375 177.815 177.300 0.234 0.000 1.335 521 P CA 1.184 64.367 63.100 0.138 0.000 0.808 521 P CB 0.200 31.968 31.700 0.114 0.000 1.305 522 E N -0.538 119.786 120.200 0.207 0.000 2.876 522 E HA 0.152 4.502 4.350 -0.001 0.000 0.208 522 E C -0.049 176.632 176.600 0.135 0.000 0.981 522 E CA -0.195 56.377 56.400 0.287 0.000 1.174 522 E CB 0.389 30.261 29.700 0.286 0.000 1.047 522 E HN 0.099 nan 8.360 nan 0.000 0.477 523 N N 0.431 119.176 118.700 0.076 0.000 2.537 523 N HA 0.165 4.905 4.740 -0.001 0.000 0.281 523 N C -0.376 175.141 175.510 0.012 0.000 1.097 523 N CA -0.083 52.980 53.050 0.022 0.000 0.964 523 N CB 1.776 40.261 38.487 -0.003 0.000 1.588 523 N HN -0.029 nan 8.380 nan 0.000 0.511 524 A N 2.501 125.320 122.820 -0.002 0.000 2.167 524 A HA -0.033 4.286 4.320 -0.001 0.000 0.214 524 A C 1.447 179.033 177.584 0.003 0.000 1.151 524 A CA 0.976 53.014 52.037 0.002 0.000 0.735 524 A CB -0.069 18.931 19.000 -0.000 0.000 0.802 524 A HN 0.782 nan 8.150 nan 0.000 0.467 525 E N -0.636 119.560 120.200 -0.007 0.000 2.290 525 E HA 0.118 4.468 4.350 -0.001 0.000 0.197 525 E C 0.647 177.240 176.600 -0.012 0.000 0.948 525 E CA 0.310 56.704 56.400 -0.010 0.000 0.895 525 E CB -0.745 28.943 29.700 -0.020 0.000 0.865 525 E HN 0.238 nan 8.360 nan 0.000 0.486 526 V N 1.219 121.120 119.914 -0.023 0.000 2.607 526 V HA 0.221 4.341 4.120 -0.001 0.000 0.289 526 V C 0.589 176.700 176.094 0.029 0.000 1.053 526 V CA 1.002 63.299 62.300 -0.005 0.000 0.996 526 V CB 1.539 33.330 31.823 -0.053 0.000 0.995 526 V HN 0.369 nan 8.190 nan 0.000 0.476 527 T N 4.890 119.473 114.554 0.049 0.000 3.340 527 T HA 0.370 4.720 4.350 -0.001 0.000 0.272 527 T C -0.605 174.120 174.700 0.041 0.000 0.965 527 T CA 0.155 62.280 62.100 0.041 0.000 1.040 527 T CB 0.105 68.989 68.868 0.026 0.000 1.183 527 T HN 0.366 nan 8.240 nan 0.000 0.478 528 L N 1.232 122.475 121.223 0.032 0.000 2.518 528 L HA 0.517 4.857 4.340 -0.001 0.000 0.257 528 L C -0.555 176.231 176.870 -0.141 0.000 0.980 528 L CA -0.378 54.446 54.840 -0.028 0.000 0.837 528 L CB 2.000 44.047 42.059 -0.021 0.000 1.410 528 L HN -0.016 nan 8.230 nan 0.000 0.410 529 T N 2.259 116.610 114.554 -0.339 0.000 2.800 529 T HA 0.152 4.501 4.350 -0.001 0.000 0.266 529 T C -0.592 173.882 174.700 -0.377 0.000 0.939 529 T CA 0.428 62.059 62.100 -0.782 0.000 1.199 529 T CB -0.771 67.739 68.868 -0.596 0.000 0.899 529 T HN 0.374 nan 8.240 nan 0.000 0.555 530 D N 2.044 122.273 120.400 -0.286 0.000 2.757 530 D HA 0.265 4.904 4.640 -0.001 0.000 0.249 530 D C -0.475 175.781 176.300 -0.072 0.000 1.168 530 D CA -0.754 53.209 54.000 -0.061 0.000 0.870 530 D CB 1.070 41.879 40.800 0.015 0.000 1.411 530 D HN 0.275 nan 8.370 nan 0.000 0.525 531 F N 1.979 122.026 119.950 0.161 0.000 2.706 531 F HA 0.157 4.683 4.527 -0.001 0.000 0.313 531 F C 2.276 178.201 175.800 0.208 0.000 1.096 531 F CA -0.289 57.814 58.000 0.171 0.000 1.219 531 F CB 0.396 39.445 39.000 0.080 0.000 1.051 531 F HN 0.381 nan 8.300 nan 0.000 0.568 532 R N 0.957 121.667 120.500 0.350 0.000 2.120 532 R HA 0.038 4.378 4.340 -0.001 0.000 0.234 532 R C 0.923 177.499 176.300 0.461 0.000 1.123 532 R CA 1.051 57.379 56.100 0.379 0.000 0.975 532 R CB -0.882 29.569 30.300 0.251 0.000 0.866 532 R HN 0.133 nan 8.270 nan 0.000 0.446 533 A N 2.602 125.642 122.820 0.367 0.000 2.457 533 A HA 0.396 4.716 4.320 -0.001 0.000 0.298 533 A C -0.460 177.446 177.584 0.536 0.000 1.288 533 A CA -0.600 51.672 52.037 0.392 0.000 0.956 533 A CB -0.671 18.516 19.000 0.312 0.000 1.135 533 A HN 0.464 nan 8.150 nan 0.000 0.535 534 F N 0.331 120.412 119.950 0.218 0.000 2.576 534 F HA 0.646 5.172 4.527 -0.001 0.000 0.313 534 F C -0.404 175.239 175.800 -0.261 0.000 1.078 534 F CA -1.143 56.771 58.000 -0.144 0.000 0.921 534 F CB 1.432 40.348 39.000 -0.140 0.000 1.232 534 F HN 0.494 nan 8.300 nan 0.000 0.459 535 Q N 1.804 121.242 119.800 -0.603 0.000 2.261 535 Q HA 0.348 4.688 4.340 -0.001 0.000 0.252 535 Q C -0.953 174.939 176.000 -0.181 0.000 0.915 535 Q CA -0.460 55.133 55.803 -0.350 0.000 0.915 535 Q CB 1.581 30.084 28.738 -0.393 0.000 1.204 535 Q HN 0.928 nan 8.270 nan 0.000 0.421 536 T N 3.165 117.679 114.554 -0.068 0.000 2.788 536 T HA 0.444 4.793 4.350 -0.001 0.000 0.296 536 T C -1.063 173.687 174.700 0.084 0.000 1.009 536 T CA -0.574 61.557 62.100 0.051 0.000 0.949 536 T CB 0.485 69.484 68.868 0.219 0.000 0.946 536 T HN 0.366 nan 8.240 nan 0.000 0.453 537 V N 6.403 126.338 119.914 0.034 0.000 2.347 537 V HA 0.449 4.568 4.120 -0.001 0.000 0.280 537 V C 0.284 176.449 176.094 0.118 0.000 1.021 537 V CA -0.835 61.507 62.300 0.070 0.000 0.847 537 V CB 1.441 33.236 31.823 -0.047 0.000 0.990 537 V HN 0.738 nan 8.190 nan 0.000 0.444 538 V N 6.675 126.682 119.914 0.155 0.000 2.407 538 V HA 0.263 4.383 4.120 -0.001 0.000 0.278 538 V C 0.673 176.812 176.094 0.075 0.000 1.037 538 V CA -0.181 62.196 62.300 0.128 0.000 0.900 538 V CB 1.622 33.524 31.823 0.131 0.000 0.983 538 V HN 0.732 nan 8.190 nan 0.000 0.459 539 L N 4.409 125.655 121.223 0.037 0.000 2.558 539 L HA 0.337 4.676 4.340 -0.001 0.000 0.225 539 L C 0.531 177.388 176.870 -0.020 0.000 1.128 539 L CA 0.825 55.671 54.840 0.010 0.000 0.868 539 L CB -0.630 41.449 42.059 0.033 0.000 1.006 539 L HN 0.753 nan 8.230 nan 0.000 0.454 540 D N -0.930 119.459 120.400 -0.019 0.000 2.323 540 D HA 0.199 4.839 4.640 -0.001 0.000 0.242 540 D C -1.784 174.530 176.300 0.023 0.000 1.347 540 D CA -1.341 52.649 54.000 -0.016 0.000 0.988 540 D CB 1.674 42.434 40.800 -0.066 0.000 1.314 540 D HN -0.177 nan 8.370 nan 0.000 0.564 541 P HA -0.162 nan 4.420 nan 0.000 0.215 541 P C 0.963 178.293 177.300 0.049 0.000 1.153 541 P CA 0.981 64.117 63.100 0.061 0.000 0.853 541 P CB 0.484 32.227 31.700 0.070 0.000 0.788 542 E N 0.375 120.599 120.200 0.041 0.000 2.114 542 E HA -0.126 4.224 4.350 -0.001 0.000 0.199 542 E C 1.367 177.996 176.600 0.049 0.000 1.008 542 E CA 1.456 57.880 56.400 0.040 0.000 0.810 542 E CB -1.504 28.216 29.700 0.034 0.000 0.739 542 E HN 0.418 nan 8.360 nan 0.000 0.456 543 G N 2.693 111.524 108.800 0.051 0.000 2.920 543 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.210 543 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.210 543 G C 0.110 175.067 174.900 0.095 0.000 0.806 543 G CA 0.543 45.684 45.100 0.068 0.000 0.853 543 G HN 0.287 nan 8.290 nan 0.000 0.333 544 D N 1.982 122.465 120.400 0.140 0.000 2.077 544 D HA 0.103 4.743 4.640 -0.001 0.000 0.196 544 D C 2.566 178.985 176.300 0.199 0.000 0.986 544 D CA 2.302 56.421 54.000 0.198 0.000 0.829 544 D CB -0.194 40.794 40.800 0.314 0.000 0.983 544 D HN 0.934 nan 8.370 nan 0.000 0.453 545 A N -0.921 122.035 122.820 0.227 0.000 2.167 545 A HA 0.105 4.424 4.320 -0.001 0.000 0.214 545 A C 1.320 178.968 177.584 0.106 0.000 1.151 545 A CA 1.273 53.413 52.037 0.171 0.000 0.735 545 A CB -0.370 18.754 19.000 0.206 0.000 0.802 545 A HN 0.327 nan 8.150 nan 0.000 0.467 546 Q N -1.778 118.082 119.800 0.100 0.000 2.460 546 Q HA -0.156 4.183 4.340 -0.001 0.000 0.248 546 Q C -0.517 175.519 176.000 0.061 0.000 0.847 546 Q CA 1.125 56.971 55.803 0.070 0.000 1.214 546 Q CB -1.800 26.971 28.738 0.055 0.000 1.523 546 Q HN 0.579 nan 8.270 nan 0.000 0.602 547 I N 1.092 121.704 120.570 0.069 0.000 2.378 547 I HA 0.383 4.553 4.170 -0.001 0.000 0.291 547 I C 0.221 176.363 176.117 0.042 0.000 0.992 547 I CA -0.685 60.646 61.300 0.051 0.000 1.154 547 I CB 1.578 39.608 38.000 0.050 0.000 1.315 547 I HN -0.040 nan 8.210 nan 0.000 0.448 548 D N 7.610 128.028 120.400 0.030 0.000 2.264 548 D HA 0.311 4.950 4.640 -0.001 0.000 0.249 548 D C -2.216 174.051 176.300 -0.056 0.000 1.070 548 D CA -1.234 52.779 54.000 0.020 0.000 0.912 548 D CB 1.119 41.953 40.800 0.057 0.000 1.193 548 D HN 0.258 nan 8.370 nan 0.000 0.427 549 P HA -0.067 nan 4.420 nan 0.000 0.262 549 P C -0.250 176.744 177.300 -0.511 0.000 1.182 549 P CA 0.033 62.866 63.100 -0.445 0.000 0.761 549 P CB 0.478 31.765 31.700 -0.690 0.000 0.795 550 N N 3.423 121.856 118.700 -0.445 0.000 2.678 550 N HA 0.084 4.824 4.740 -0.001 0.000 0.231 550 N C -0.923 174.463 175.510 -0.207 0.000 1.038 550 N CA -0.557 52.365 53.050 -0.214 0.000 0.932 550 N CB 0.224 38.681 38.487 -0.051 0.000 1.176 550 N HN 0.334 nan 8.380 nan 0.000 0.511 551 W N 3.425 124.830 121.300 0.175 0.000 2.388 551 W HA 0.319 4.978 4.660 -0.001 0.000 0.308 551 W C 0.032 176.641 176.519 0.150 0.000 1.263 551 W CA -0.735 56.681 57.345 0.118 0.000 1.286 551 W CB 0.813 30.312 29.460 0.065 0.000 1.294 551 W HN -0.002 nan 8.180 nan 0.000 0.493 552 V N 5.327 125.439 119.914 0.330 0.000 2.459 552 V HA 0.454 4.574 4.120 -0.001 0.000 0.295 552 V C -0.545 175.669 176.094 0.199 0.000 1.029 552 V CA -1.143 61.310 62.300 0.256 0.000 0.874 552 V CB 1.738 33.688 31.823 0.211 0.000 0.985 552 V HN 0.278 nan 8.190 nan 0.000 0.438 553 V N 7.383 127.406 119.914 0.182 0.000 2.444 553 V HA 0.667 4.786 4.120 -0.001 0.000 0.294 553 V C -0.796 175.383 176.094 0.143 0.000 1.022 553 V CA -0.132 62.252 62.300 0.139 0.000 0.850 553 V CB 1.318 33.208 31.823 0.111 0.000 0.992 553 V HN 0.755 nan 8.190 nan 0.000 0.426 554 L N 4.668 125.971 121.223 0.132 0.000 2.260 554 L HA 0.675 5.015 4.340 -0.001 0.000 0.265 554 L C 0.880 177.817 176.870 0.112 0.000 1.015 554 L CA -0.956 53.951 54.840 0.112 0.000 0.826 554 L CB 1.200 43.318 42.059 0.098 0.000 1.373 554 L HN 0.728 nan 8.230 nan 0.000 0.450 555 N N 0.859 119.613 118.700 0.091 0.000 2.741 555 N HA -0.239 4.501 4.740 -0.001 0.000 0.250 555 N C -0.281 175.285 175.510 0.092 0.000 1.115 555 N CA 1.268 54.373 53.050 0.090 0.000 0.724 555 N CB -0.795 37.754 38.487 0.104 0.000 1.090 555 N HN 0.743 nan 8.380 nan 0.000 0.558 556 Q N -2.611 117.244 119.800 0.091 0.000 2.468 556 Q HA -0.186 4.153 4.340 -0.001 0.000 0.289 556 Q C 0.787 176.852 176.000 0.109 0.000 1.299 556 Q CA 1.322 57.179 55.803 0.090 0.000 0.838 556 Q CB -1.883 26.896 28.738 0.068 0.000 1.195 556 Q HN 1.038 nan 8.270 nan 0.000 0.456 557 G N -0.521 108.366 108.800 0.145 0.000 2.132 557 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.228 557 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.228 557 G C 0.408 175.447 174.900 0.231 0.000 1.000 557 G CA 0.210 45.432 45.100 0.203 0.000 0.693 557 G HN 0.289 nan 8.290 nan 0.000 0.515 558 R N 0.011 120.618 120.500 0.179 0.000 2.472 558 R HA 0.263 4.603 4.340 -0.001 0.000 0.279 558 R C 0.469 176.881 176.300 0.187 0.000 0.953 558 R CA 0.579 56.784 56.100 0.174 0.000 1.088 558 R CB 0.865 31.226 30.300 0.101 0.000 1.197 558 R HN 0.679 nan 8.270 nan 0.000 0.536 559 E N 0.599 120.912 120.200 0.188 0.000 2.321 559 E HA 0.387 4.737 4.350 -0.001 0.000 0.281 559 E C -1.459 175.248 176.600 0.179 0.000 0.910 559 E CA -0.478 56.034 56.400 0.186 0.000 0.770 559 E CB 1.504 31.294 29.700 0.151 0.000 1.225 559 E HN -0.059 nan 8.360 nan 0.000 0.417 560 I N 3.513 124.223 120.570 0.233 0.000 2.646 560 I HA 0.572 4.742 4.170 -0.001 0.000 0.299 560 I C -0.912 175.499 176.117 0.490 0.000 1.036 560 I CA -1.136 60.295 61.300 0.218 0.000 1.074 560 I CB 2.122 40.094 38.000 -0.047 0.000 1.258 560 I HN 0.400 nan 8.210 nan 0.000 0.430 561 V N 4.836 125.005 119.914 0.424 0.000 2.962 561 V HA 0.602 4.722 4.120 -0.001 0.000 0.313 561 V C -1.431 174.942 176.094 0.465 0.000 1.099 561 V CA -0.228 62.345 62.300 0.456 0.000 0.971 561 V CB 2.104 34.065 31.823 0.229 0.000 1.028 561 V HN 0.761 nan 8.190 nan 0.000 0.430 562 Q N 2.029 122.069 119.800 0.401 0.000 2.331 562 Q HA 0.473 4.813 4.340 -0.001 0.000 0.272 562 Q C -0.137 175.879 176.000 0.027 0.000 1.062 562 Q CA 0.213 56.094 55.803 0.129 0.000 0.806 562 Q CB 2.414 31.174 28.738 0.038 0.000 1.312 562 Q HN 1.006 nan 8.270 nan 0.000 0.431 563 T N -0.804 113.728 114.554 -0.037 0.000 2.955 563 T HA 0.299 4.648 4.350 -0.001 0.000 0.251 563 T C 0.936 175.621 174.700 -0.025 0.000 1.002 563 T CA -0.214 61.879 62.100 -0.011 0.000 0.970 563 T CB 0.357 69.234 68.868 0.016 0.000 1.091 563 T HN 0.361 nan 8.240 nan 0.000 0.495 564 M N 3.120 122.686 119.600 -0.057 0.000 2.288 564 M HA 0.398 4.877 4.480 -0.001 0.000 0.334 564 M C 0.141 176.442 176.300 0.002 0.000 1.150 564 M CA -0.942 54.340 55.300 -0.030 0.000 1.118 564 M CB 0.205 32.777 32.600 -0.047 0.000 1.501 564 M HN 0.088 nan 8.290 nan 0.000 0.462 565 N N 1.781 120.505 118.700 0.040 0.000 2.739 565 N HA 0.076 4.816 4.740 -0.001 0.000 0.266 565 N C -0.605 174.980 175.510 0.123 0.000 1.168 565 N CA -0.047 53.061 53.050 0.096 0.000 1.055 565 N CB 0.191 38.736 38.487 0.097 0.000 1.393 565 N HN 0.644 nan 8.380 nan 0.000 0.514 566 S N 1.108 116.876 115.700 0.114 0.000 2.690 566 S HA 0.452 4.921 4.470 -0.001 0.000 0.285 566 S C -0.035 174.670 174.600 0.175 0.000 1.135 566 S CA -0.817 57.439 58.200 0.093 0.000 1.020 566 S CB 1.073 64.265 63.200 -0.014 0.000 1.159 566 S HN 0.297 nan 8.310 nan 0.000 0.534 567 D N 1.895 122.358 120.400 0.105 0.000 2.348 567 D HA 0.434 5.073 4.640 -0.001 0.000 0.249 567 D C -2.547 173.712 176.300 -0.067 0.000 1.110 567 D CA -1.290 52.745 54.000 0.057 0.000 0.967 567 D CB 0.500 41.320 40.800 0.034 0.000 1.139 567 D HN 0.286 nan 8.370 nan 0.000 0.466 568 P HA 0.198 nan 4.420 nan 0.000 0.266 568 P C -0.264 176.997 177.300 -0.066 0.000 1.193 568 P CA 0.159 63.029 63.100 -0.384 0.000 0.770 568 P CB 0.522 31.809 31.700 -0.688 0.000 0.836 569 G N 1.054 109.888 108.800 0.058 0.000 2.547 569 G HA2 0.561 4.521 3.960 -0.001 0.000 0.291 569 G HA3 0.561 4.521 3.960 -0.001 0.000 0.291 569 G C -2.181 172.923 174.900 0.339 0.000 1.471 569 G CA -0.693 44.545 45.100 0.230 0.000 0.798 569 G HN 0.384 nan 8.290 nan 0.000 0.504 570 L N 0.341 121.683 121.223 0.198 0.000 2.386 570 L HA 0.788 5.127 4.340 -0.001 0.000 0.271 570 L C 0.307 176.904 176.870 -0.455 0.000 0.993 570 L CA -1.157 53.614 54.840 -0.114 0.000 0.819 570 L CB 2.340 44.235 42.059 -0.273 0.000 1.294 570 L HN 0.763 nan 8.230 nan 0.000 0.414 571 A N 2.745 124.876 122.820 -1.149 0.000 2.249 571 A HA 0.653 4.973 4.320 -0.001 0.000 0.314 571 A C -0.771 176.378 177.584 -0.725 0.000 1.290 571 A CA -0.520 50.810 52.037 -1.178 0.000 0.893 571 A CB 1.315 19.057 19.000 -2.096 0.000 1.165 571 A HN 0.491 nan 8.150 nan 0.000 0.530 572 V N 3.577 123.205 119.914 -0.477 0.000 2.483 572 V HA 0.740 4.860 4.120 -0.001 0.000 0.297 572 V C 0.557 176.473 176.094 -0.298 0.000 1.027 572 V CA 0.230 62.259 62.300 -0.451 0.000 0.855 572 V CB 1.219 32.553 31.823 -0.815 0.000 0.995 572 V HN 1.257 nan 8.190 nan 0.000 0.424 573 G N 4.468 113.294 108.800 0.043 0.000 2.544 573 G HA2 0.175 4.134 3.960 -0.001 0.000 0.242 573 G HA3 0.175 4.134 3.960 -0.001 0.000 0.242 573 G C -0.069 174.744 174.900 -0.144 0.000 1.247 573 G CA 0.078 45.238 45.100 0.101 0.000 0.840 573 G HN 0.865 nan 8.290 nan 0.000 0.578 574 Y N -0.141 120.185 120.300 0.044 0.000 2.516 574 Y HA 0.073 4.623 4.550 -0.001 0.000 0.291 574 Y C 2.327 178.208 175.900 -0.031 0.000 1.131 574 Y CA 1.011 59.122 58.100 0.018 0.000 1.281 574 Y CB 0.062 38.540 38.460 0.029 0.000 1.013 574 Y HN 0.464 nan 8.280 nan 0.000 0.554 575 T N 0.574 115.135 114.554 0.011 0.000 2.817 575 T HA 0.689 5.038 4.350 -0.001 0.000 0.293 575 T C -0.143 174.399 174.700 -0.263 0.000 0.964 575 T CA -0.575 61.420 62.100 -0.176 0.000 1.085 575 T CB 0.704 69.407 68.868 -0.275 0.000 0.921 575 T HN 0.205 nan 8.240 nan 0.000 0.502 576 A N 3.976 126.605 122.820 -0.319 0.000 2.356 576 A HA 0.886 5.206 4.320 -0.001 0.000 0.323 576 A C -1.183 176.157 177.584 -0.407 0.000 1.119 576 A CA -0.800 51.158 52.037 -0.131 0.000 0.790 576 A CB 0.856 19.895 19.000 0.066 0.000 1.273 576 A HN 0.769 nan 8.150 nan 0.000 0.452 577 F N -0.074 119.891 119.950 0.025 0.000 2.620 577 F HA 0.464 4.991 4.527 -0.001 0.000 0.320 577 F C 0.918 176.767 175.800 0.081 0.000 1.069 577 F CA -0.733 57.285 58.000 0.031 0.000 0.953 577 F CB 1.897 40.904 39.000 0.013 0.000 1.322 577 F HN 0.751 nan 8.300 nan 0.000 0.479 578 N N -0.113 118.741 118.700 0.257 0.000 1.746 578 N HA 0.221 4.960 4.740 -0.001 0.000 0.227 578 N C 0.326 175.907 175.510 0.118 0.000 1.154 578 N CA -0.007 53.138 53.050 0.157 0.000 1.033 578 N CB 0.017 38.553 38.487 0.082 0.000 1.387 578 N HN 0.734 nan 8.380 nan 0.000 0.443 579 G N 1.269 110.093 108.800 0.040 0.000 2.272 579 G HA2 0.309 4.269 3.960 -0.001 0.000 0.247 579 G HA3 0.309 4.269 3.960 -0.001 0.000 0.247 579 G C -0.568 174.386 174.900 0.091 0.000 1.272 579 G CA 0.143 45.242 45.100 -0.001 0.000 0.921 579 G HN 0.243 nan 8.290 nan 0.000 0.495 580 V N 2.424 122.365 119.914 0.046 0.000 2.971 580 V HA 0.623 4.743 4.120 -0.001 0.000 0.309 580 V C -1.619 174.441 176.094 -0.057 0.000 1.130 580 V CA -1.069 61.221 62.300 -0.018 0.000 0.964 580 V CB 2.607 34.254 31.823 -0.294 0.000 1.029 580 V HN 0.676 nan 8.190 nan 0.000 0.427 581 D N 4.502 124.886 120.400 -0.026 0.000 2.256 581 D HA 0.633 5.272 4.640 -0.001 0.000 0.246 581 D C -1.454 174.921 176.300 0.125 0.000 1.042 581 D CA 0.237 54.234 54.000 -0.005 0.000 0.841 581 D CB 1.858 42.735 40.800 0.128 0.000 1.223 581 D HN 0.435 nan 8.370 nan 0.000 0.470 582 F N 2.342 122.215 119.950 -0.128 0.000 2.607 582 F HA 0.288 4.814 4.527 -0.001 0.000 0.322 582 F C -1.280 174.502 175.800 -0.029 0.000 1.176 582 F CA -1.055 56.949 58.000 0.007 0.000 0.977 582 F CB 1.363 40.396 39.000 0.054 0.000 1.242 582 F HN 0.350 nan 8.300 nan 0.000 0.465 583 E N 4.331 124.433 120.200 -0.163 0.000 2.314 583 E HA 0.822 5.172 4.350 -0.001 0.000 0.272 583 E C -1.213 174.670 176.600 -1.195 0.000 0.884 583 E CA -1.230 54.728 56.400 -0.737 0.000 0.753 583 E CB 2.542 32.126 29.700 -0.193 0.000 1.213 583 E HN 0.824 nan 8.360 nan 0.000 0.432 584 G N 0.808 108.232 108.800 -2.292 0.000 2.660 584 G HA2 0.507 4.467 3.960 -0.001 0.000 0.290 584 G HA3 0.507 4.467 3.960 -0.001 0.000 0.290 584 G C -1.290 172.842 174.900 -1.279 0.000 1.432 584 G CA -0.690 43.252 45.100 -1.930 0.000 0.807 584 G HN 0.358 nan 8.290 nan 0.000 0.485 585 T N 0.948 115.258 114.554 -0.406 0.000 2.758 585 T HA 0.491 4.841 4.350 -0.001 0.000 0.285 585 T C -1.171 173.771 174.700 0.404 0.000 0.981 585 T CA -0.125 62.014 62.100 0.064 0.000 0.965 585 T CB 0.857 69.750 68.868 0.041 0.000 0.927 585 T HN 0.474 nan 8.240 nan 0.000 0.448 586 F N 4.238 124.470 119.950 0.471 0.000 2.415 586 F HA 0.647 5.173 4.527 -0.001 0.000 0.348 586 F C -0.412 175.544 175.800 0.261 0.000 1.119 586 F CA -0.851 57.392 58.000 0.405 0.000 1.069 586 F CB 0.833 40.205 39.000 0.620 0.000 1.124 586 F HN 0.713 nan 8.300 nan 0.000 0.472 587 H N 4.945 123.517 119.070 -0.830 0.000 3.083 587 H HA 0.472 5.028 4.556 -0.001 0.000 0.339 587 H C -1.881 172.966 175.328 -0.803 0.000 1.020 587 H CA -0.933 54.679 56.048 -0.726 0.000 1.360 587 H CB 1.692 31.252 29.762 -0.336 0.000 1.811 587 H HN 0.703 nan 8.280 nan 0.000 0.493 588 V N 5.191 124.584 119.914 -0.869 0.000 2.334 588 V HA 0.253 4.372 4.120 -0.001 0.000 0.267 588 V C -0.111 175.842 176.094 -0.236 0.000 1.040 588 V CA -0.381 61.554 62.300 -0.609 0.000 0.866 588 V CB 0.756 31.992 31.823 -0.978 0.000 1.019 588 V HN 0.972 nan 8.190 nan 0.000 0.468 589 N N 4.963 123.648 118.700 -0.026 0.000 3.210 589 N HA 0.138 4.877 4.740 -0.001 0.000 0.314 589 N C -0.187 175.324 175.510 0.001 0.000 1.291 589 N CA 0.384 53.473 53.050 0.065 0.000 1.202 589 N CB -0.032 38.463 38.487 0.013 0.000 1.475 589 N HN 0.881 nan 8.380 nan 0.000 0.554 590 T N -1.474 113.072 114.554 -0.013 0.000 3.168 590 T HA 0.032 4.381 4.350 -0.001 0.000 0.373 590 T C 0.739 175.461 174.700 0.036 0.000 1.681 590 T CA -0.665 61.440 62.100 0.009 0.000 1.135 590 T CB 0.984 69.857 68.868 0.008 0.000 1.477 590 T HN -0.147 nan 8.240 nan 0.000 0.480 591 V N 2.819 122.751 119.914 0.030 0.000 2.358 591 V HA 0.057 4.176 4.120 -0.001 0.000 0.246 591 V C 1.956 178.078 176.094 0.048 0.000 1.047 591 V CA 2.268 64.588 62.300 0.034 0.000 1.035 591 V CB -0.590 31.240 31.823 0.011 0.000 0.658 591 V HN 1.042 nan 8.190 nan 0.000 0.452 592 T N -1.412 113.167 114.554 0.042 0.000 2.900 592 T HA 0.241 4.590 4.350 -0.001 0.000 0.307 592 T C 0.069 174.819 174.700 0.083 0.000 1.065 592 T CA -0.176 61.950 62.100 0.043 0.000 1.105 592 T CB 0.973 69.856 68.868 0.025 0.000 0.979 592 T HN 0.438 nan 8.240 nan 0.000 0.544 593 D N 1.127 121.570 120.400 0.072 0.000 5.703 593 D HA -0.159 4.480 4.640 -0.001 0.000 0.317 593 D C -0.567 175.783 176.300 0.083 0.000 2.508 593 D CA 1.610 55.672 54.000 0.103 0.000 1.333 593 D CB -0.499 40.396 40.800 0.160 0.000 1.145 593 D HN 1.084 nan 8.370 nan 0.000 1.293 594 D N -1.058 119.382 120.400 0.068 0.000 3.285 594 D HA 0.231 4.870 4.640 -0.001 0.000 0.314 594 D C -0.460 175.758 176.300 -0.136 0.000 1.601 594 D CA -0.361 53.542 54.000 -0.162 0.000 0.772 594 D CB -0.036 40.609 40.800 -0.258 0.000 1.312 594 D HN 0.124 nan 8.370 nan 0.000 0.550 595 D N -0.224 120.269 120.400 0.156 0.000 2.415 595 D HA 0.292 4.932 4.640 -0.001 0.000 0.265 595 D C -0.398 175.981 176.300 0.132 0.000 1.206 595 D CA -0.248 53.781 54.000 0.048 0.000 1.113 595 D CB 0.256 41.187 40.800 0.218 0.000 1.192 595 D HN 0.060 nan 8.370 nan 0.000 0.586 596 Y N -0.419 119.967 120.300 0.142 0.000 2.360 596 Y HA 0.547 5.096 4.550 -0.001 0.000 0.337 596 Y C 0.074 176.085 175.900 0.186 0.000 1.039 596 Y CA -0.582 57.618 58.100 0.166 0.000 1.109 596 Y CB 1.831 40.342 38.460 0.085 0.000 1.201 596 Y HN 0.266 nan 8.280 nan 0.000 0.458 597 A N 1.856 124.946 122.820 0.450 0.000 2.556 597 A HA 0.956 5.276 4.320 -0.001 0.000 0.294 597 A C -0.638 177.207 177.584 0.434 0.000 1.091 597 A CA -0.089 52.168 52.037 0.366 0.000 0.704 597 A CB 1.747 20.904 19.000 0.262 0.000 1.300 597 A HN 0.950 nan 8.150 nan 0.000 0.406 598 G N -1.009 108.153 108.800 0.604 0.000 2.430 598 G HA2 0.694 4.654 3.960 -0.001 0.000 0.300 598 G HA3 0.694 4.654 3.960 -0.001 0.000 0.300 598 G C -1.152 174.037 174.900 0.482 0.000 1.330 598 G CA 0.065 45.447 45.100 0.469 0.000 0.813 598 G HN 1.811 nan 8.290 nan 0.000 0.487 599 F N -1.450 118.521 119.950 0.035 0.000 2.631 599 F HA 0.923 5.450 4.527 -0.001 0.000 0.328 599 F C -1.090 174.768 175.800 0.095 0.000 1.067 599 F CA -1.620 56.344 58.000 -0.061 0.000 0.969 599 F CB 1.801 40.496 39.000 -0.508 0.000 1.332 599 F HN 0.376 nan 8.300 nan 0.000 0.490 600 I N 2.729 123.501 120.570 0.337 0.000 2.534 600 I HA 0.437 4.607 4.170 -0.001 0.000 0.288 600 I C -1.055 175.290 176.117 0.379 0.000 1.077 600 I CA -1.035 60.372 61.300 0.178 0.000 1.051 600 I CB 1.528 39.535 38.000 0.010 0.000 1.234 600 I HN 0.813 nan 8.210 nan 0.000 0.425 601 F N 1.666 121.732 119.950 0.193 0.000 2.620 601 F HA 0.821 5.348 4.527 -0.001 0.000 0.320 601 F C 0.895 176.772 175.800 0.128 0.000 1.069 601 F CA -1.027 57.043 58.000 0.117 0.000 0.953 601 F CB 1.679 40.719 39.000 0.067 0.000 1.322 601 F HN 0.627 nan 8.300 nan 0.000 0.479 602 G N 0.770 109.692 108.800 0.203 0.000 2.305 602 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.287 602 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.287 602 G C -0.498 174.484 174.900 0.137 0.000 1.036 602 G CA 0.385 45.605 45.100 0.200 0.000 0.887 602 G HN 1.142 nan 8.290 nan 0.000 0.505 603 Y N 0.491 120.815 120.300 0.040 0.000 2.496 603 Y HA 0.365 4.915 4.550 -0.001 0.000 0.334 603 Y C 1.438 177.329 175.900 -0.015 0.000 1.080 603 Y CA 0.721 58.822 58.100 0.002 0.000 1.355 603 Y CB 0.615 39.015 38.460 -0.099 0.000 1.193 603 Y HN 0.364 nan 8.280 nan 0.000 0.523 604 Q N 3.390 122.944 119.800 -0.410 0.000 2.423 604 Q HA 0.168 4.507 4.340 -0.001 0.000 0.231 604 Q C -0.694 175.018 176.000 -0.481 0.000 0.894 604 Q CA 0.701 56.319 55.803 -0.308 0.000 0.938 604 Q CB 0.788 29.389 28.738 -0.229 0.000 1.079 604 Q HN 0.869 nan 8.270 nan 0.000 0.552 605 D N -2.260 117.607 120.400 -0.889 0.000 2.792 605 D HA -0.017 4.623 4.640 -0.001 0.000 0.335 605 D C 0.040 175.894 176.300 -0.743 0.000 1.353 605 D CA -0.131 53.459 54.000 -0.683 0.000 0.839 605 D CB 0.047 40.650 40.800 -0.328 0.000 1.396 605 D HN -0.118 nan 8.370 nan 0.000 0.479 606 S N -1.210 114.271 115.700 -0.364 0.000 2.595 606 S HA -0.012 4.457 4.470 -0.001 0.000 0.235 606 S C 0.748 175.290 174.600 -0.096 0.000 0.974 606 S CA 0.894 58.921 58.200 -0.287 0.000 0.942 606 S CB -0.533 62.208 63.200 -0.764 0.000 0.766 606 S HN 0.380 nan 8.310 nan 0.000 0.536 607 S N 0.240 115.844 115.700 -0.159 0.000 2.701 607 S HA 0.368 4.838 4.470 -0.001 0.000 0.242 607 S C -0.149 174.277 174.600 -0.289 0.000 1.025 607 S CA -0.547 57.550 58.200 -0.170 0.000 1.016 607 S CB 0.745 63.851 63.200 -0.157 0.000 0.977 607 S HN 0.362 nan 8.310 nan 0.000 0.546 608 S N 2.119 117.643 115.700 -0.292 0.000 2.381 608 S HA 0.584 5.054 4.470 -0.001 0.000 0.193 608 S C -0.843 173.543 174.600 -0.357 0.000 1.287 608 S CA -0.827 57.135 58.200 -0.397 0.000 1.199 608 S CB 0.264 63.274 63.200 -0.318 0.000 1.214 608 S HN 0.474 nan 8.310 nan 0.000 0.444 609 F N -1.100 118.530 119.950 -0.533 0.000 2.711 609 F HA 0.756 5.283 4.527 -0.001 0.000 0.313 609 F C -1.627 173.761 175.800 -0.687 0.000 1.141 609 F CA -1.667 56.021 58.000 -0.519 0.000 0.941 609 F CB 0.730 39.538 39.000 -0.320 0.000 1.349 609 F HN 0.166 nan 8.300 nan 0.000 0.464 610 Y N 1.101 121.123 120.300 -0.465 0.000 2.334 610 Y HA 0.631 5.180 4.550 -0.001 0.000 0.328 610 Y C -0.239 175.332 175.900 -0.547 0.000 1.130 610 Y CA -1.024 56.617 58.100 -0.764 0.000 1.163 610 Y CB 1.892 39.380 38.460 -1.621 0.000 1.207 610 Y HN 0.651 nan 8.280 nan 0.000 0.471 611 V N 4.530 124.280 119.914 -0.275 0.000 2.638 611 V HA 0.629 4.749 4.120 -0.001 0.000 0.306 611 V C -1.586 174.329 176.094 -0.298 0.000 1.052 611 V CA -0.683 61.455 62.300 -0.270 0.000 0.885 611 V CB 1.732 33.352 31.823 -0.337 0.000 0.999 611 V HN 0.532 nan 8.190 nan 0.000 0.424 612 V N 8.675 128.314 119.914 -0.460 0.000 2.370 612 V HA 0.610 4.729 4.120 -0.001 0.000 0.283 612 V C 0.206 176.146 176.094 -0.258 0.000 1.023 612 V CA -0.268 61.789 62.300 -0.405 0.000 0.857 612 V CB 1.321 32.680 31.823 -0.774 0.000 0.985 612 V HN 0.994 nan 8.190 nan 0.000 0.443 613 M N 3.288 122.856 119.600 -0.053 0.000 2.631 613 M HA 0.805 5.285 4.480 -0.001 0.000 0.288 613 M C -2.014 174.480 176.300 0.324 0.000 1.260 613 M CA -0.636 54.791 55.300 0.212 0.000 0.842 613 M CB 3.179 35.917 32.600 0.230 0.000 1.743 613 M HN 0.536 nan 8.290 nan 0.000 0.461 614 W N 2.235 123.686 121.300 0.251 0.000 3.216 614 W HA 0.566 5.225 4.660 -0.001 0.000 0.335 614 W C -1.830 174.759 176.519 0.117 0.000 1.077 614 W CA -1.103 56.295 57.345 0.088 0.000 1.252 614 W CB 1.838 31.241 29.460 -0.094 0.000 1.312 614 W HN 0.876 nan 8.180 nan 0.000 0.446 615 K N 2.818 123.158 120.400 -0.100 0.000 2.110 615 K HA 0.217 4.536 4.320 -0.001 0.000 0.263 615 K C 1.101 177.210 176.600 -0.818 0.000 0.975 615 K CA -0.171 55.723 56.287 -0.655 0.000 0.895 615 K CB 1.860 33.613 32.500 -1.245 0.000 1.060 615 K HN 0.607 nan 8.250 nan 0.000 0.448 616 Q N 3.364 122.441 119.800 -1.206 0.000 2.096 616 Q HA -0.024 4.316 4.340 -0.001 0.000 0.197 616 Q C -0.113 175.393 176.000 -0.823 0.000 0.964 616 Q CA 1.036 55.865 55.803 -1.623 0.000 0.838 616 Q CB 0.235 27.616 28.738 -2.261 0.000 0.906 616 Q HN 0.594 nan 8.270 nan 0.000 0.444 617 M N 0.991 120.237 119.600 -0.591 0.000 2.393 617 M HA 0.244 4.723 4.480 -0.001 0.000 0.299 617 M C -1.585 174.550 176.300 -0.276 0.000 1.103 617 M CA -0.597 54.486 55.300 -0.362 0.000 0.910 617 M CB 2.323 34.755 32.600 -0.280 0.000 1.659 617 M HN 0.120 nan 8.290 nan 0.000 0.445 618 E N 3.373 123.457 120.200 -0.193 0.000 2.480 618 E HA 0.048 4.397 4.350 -0.001 0.000 0.258 618 E C -1.289 175.287 176.600 -0.041 0.000 0.984 618 E CA 0.446 56.769 56.400 -0.128 0.000 0.930 618 E CB 0.633 30.281 29.700 -0.086 0.000 0.936 618 E HN 0.651 nan 8.360 nan 0.000 0.466 619 Q N 3.278 123.097 119.800 0.032 0.000 2.309 619 Q HA 0.196 4.536 4.340 -0.001 0.000 0.273 619 Q C -1.550 174.691 176.000 0.402 0.000 1.040 619 Q CA -0.768 55.164 55.803 0.217 0.000 0.834 619 Q CB 2.182 31.116 28.738 0.328 0.000 1.345 619 Q HN 0.589 nan 8.270 nan 0.000 0.414 620 T N 2.773 117.523 114.554 0.325 0.000 2.728 620 T HA 0.203 4.553 4.350 -0.001 0.000 0.296 620 T C -0.667 174.182 174.700 0.249 0.000 0.940 620 T CA -0.127 62.164 62.100 0.318 0.000 1.013 620 T CB -0.121 68.859 68.868 0.187 0.000 0.912 620 T HN 0.470 nan 8.240 nan 0.000 0.484 621 Y N 5.854 126.099 120.300 -0.092 0.000 2.811 621 Y HA 0.137 4.687 4.550 -0.001 0.000 0.334 621 Y C 0.896 176.491 175.900 -0.510 0.000 1.247 621 Y CA -1.004 56.569 58.100 -0.879 0.000 1.526 621 Y CB 0.412 37.803 38.460 -1.781 0.000 1.284 621 Y HN 0.890 nan 8.280 nan 0.000 0.586 622 W N 2.315 123.098 121.300 -0.863 0.000 2.699 622 W HA 0.124 4.784 4.660 -0.001 0.000 0.249 622 W C -0.152 176.002 176.519 -0.609 0.000 1.280 622 W CA -0.026 56.968 57.345 -0.586 0.000 1.345 622 W CB -0.489 28.702 29.460 -0.448 0.000 1.128 622 W HN 0.406 nan 8.180 nan 0.000 0.642 623 Q N 1.115 120.172 119.800 -1.238 0.000 2.361 623 Q HA 0.368 4.707 4.340 -0.001 0.000 0.250 623 Q C 1.114 176.909 176.000 -0.341 0.000 1.023 623 Q CA 0.043 55.480 55.803 -0.610 0.000 0.915 623 Q CB 1.513 29.901 28.738 -0.584 0.000 1.238 623 Q HN 0.300 nan 8.270 nan 0.000 0.451 624 A N 3.741 126.449 122.820 -0.186 0.000 2.239 624 A HA -0.052 4.268 4.320 -0.001 0.000 0.209 624 A C 0.125 177.652 177.584 -0.094 0.000 1.171 624 A CA 0.505 52.477 52.037 -0.107 0.000 0.768 624 A CB -0.247 18.723 19.000 -0.049 0.000 0.790 624 A HN 0.750 nan 8.150 nan 0.000 0.478 625 N N -2.678 115.945 118.700 -0.129 0.000 2.455 625 N HA 0.418 5.158 4.740 -0.001 0.000 0.278 625 N C -2.637 172.762 175.510 -0.184 0.000 1.291 625 N CA -2.259 50.718 53.050 -0.122 0.000 0.780 625 N CB 0.259 38.721 38.487 -0.043 0.000 1.520 625 N HN -0.265 nan 8.380 nan 0.000 0.486 626 P HA -0.168 nan 4.420 nan 0.000 0.220 626 P C -0.417 176.925 177.300 0.071 0.000 1.155 626 P CA 1.913 64.995 63.100 -0.030 0.000 0.880 626 P CB -0.189 31.552 31.700 0.069 0.000 0.790 627 F N -4.918 115.021 119.950 -0.017 0.000 2.741 627 F HA 0.579 5.105 4.527 -0.001 0.000 0.313 627 F C -0.199 175.591 175.800 -0.016 0.000 1.153 627 F CA -2.198 55.784 58.000 -0.029 0.000 0.931 627 F CB 0.721 39.685 39.000 -0.059 0.000 1.335 627 F HN -0.453 nan 8.300 nan 0.000 0.460 628 R N 1.513 122.160 120.500 0.246 0.000 2.484 628 R HA 0.595 4.934 4.340 -0.001 0.000 0.293 628 R C -0.961 175.550 176.300 0.351 0.000 1.023 628 R CA 0.263 56.475 56.100 0.186 0.000 1.037 628 R CB 0.317 30.720 30.300 0.172 0.000 0.951 628 R HN 0.940 nan 8.270 nan 0.000 0.418 629 A N 5.087 128.066 122.820 0.266 0.000 2.285 629 A HA 0.385 4.705 4.320 -0.001 0.000 0.310 629 A C -0.919 177.032 177.584 0.612 0.000 1.266 629 A CA -0.702 51.660 52.037 0.542 0.000 0.832 629 A CB 1.330 20.546 19.000 0.360 0.000 1.163 629 A HN 0.513 nan 8.150 nan 0.000 0.499 630 V N 2.544 122.855 119.914 0.660 0.000 2.383 630 V HA 0.584 4.703 4.120 -0.001 0.000 0.275 630 V C 0.693 176.884 176.094 0.162 0.000 1.036 630 V CA -0.145 62.367 62.300 0.352 0.000 0.889 630 V CB 1.124 33.069 31.823 0.205 0.000 0.985 630 V HN 1.039 nan 8.190 nan 0.000 0.459 631 A N 4.767 127.688 122.820 0.168 0.000 2.301 631 A HA 0.712 5.032 4.320 -0.001 0.000 0.312 631 A C -0.104 177.402 177.584 -0.131 0.000 1.182 631 A CA -0.587 51.387 52.037 -0.105 0.000 0.826 631 A CB 0.583 19.299 19.000 -0.472 0.000 1.134 631 A HN 0.832 nan 8.150 nan 0.000 0.501 632 E N 2.403 122.507 120.200 -0.160 0.000 2.222 632 E HA 0.453 4.802 4.350 -0.001 0.000 0.272 632 E C -2.487 173.998 176.600 -0.192 0.000 0.982 632 E CA -1.922 54.384 56.400 -0.158 0.000 0.842 632 E CB 1.690 31.304 29.700 -0.143 0.000 1.144 632 E HN 0.510 nan 8.360 nan 0.000 0.397 633 P HA 0.263 nan 4.420 nan 0.000 0.281 633 P C -0.455 176.822 177.300 -0.039 0.000 1.249 633 P CA -0.169 62.837 63.100 -0.158 0.000 0.810 633 P CB 0.987 32.564 31.700 -0.205 0.000 1.008 634 G N 1.506 110.412 108.800 0.177 0.000 3.363 634 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.685 634 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.685 634 G C -0.658 173.984 174.900 -0.430 0.000 1.199 634 G CA -0.946 44.097 45.100 -0.094 0.000 0.946 634 G HN 0.384 nan 8.290 nan 0.000 0.558 635 I N 1.491 121.476 120.570 -0.976 0.000 2.989 635 I HA 0.050 4.220 4.170 -0.001 0.000 0.311 635 I C 1.098 176.809 176.117 -0.676 0.000 1.221 635 I CA 1.336 62.027 61.300 -1.014 0.000 1.449 635 I CB 0.334 37.587 38.000 -1.244 0.000 1.325 635 I HN 0.591 nan 8.210 nan 0.000 0.557 636 Q N 4.952 124.544 119.800 -0.346 0.000 2.377 636 Q HA 0.735 5.074 4.340 -0.001 0.000 0.271 636 Q C -1.285 174.684 176.000 -0.051 0.000 1.077 636 Q CA -1.094 54.568 55.803 -0.235 0.000 0.820 636 Q CB 2.818 31.477 28.738 -0.132 0.000 1.347 636 Q HN 0.521 nan 8.270 nan 0.000 0.444 637 L N 1.580 122.840 121.223 0.061 0.000 2.372 637 L HA 0.535 4.874 4.340 -0.001 0.000 0.274 637 L C -1.653 175.246 176.870 0.049 0.000 0.988 637 L CA -0.019 54.899 54.840 0.129 0.000 0.833 637 L CB 1.113 43.372 42.059 0.334 0.000 1.236 637 L HN 0.409 nan 8.230 nan 0.000 0.410 638 K N 4.114 124.487 120.400 -0.045 0.000 2.371 638 K HA 0.859 5.179 4.320 -0.001 0.000 0.251 638 K C -1.158 175.343 176.600 -0.164 0.000 0.934 638 K CA -0.898 55.325 56.287 -0.107 0.000 0.798 638 K CB 2.317 34.708 32.500 -0.181 0.000 1.204 638 K HN 0.698 nan 8.250 nan 0.000 0.427 639 A N 2.087 124.789 122.820 -0.196 0.000 2.288 639 A HA 0.487 4.807 4.320 -0.001 0.000 0.320 639 A C -0.560 176.711 177.584 -0.522 0.000 1.217 639 A CA -0.641 51.140 52.037 -0.426 0.000 0.840 639 A CB 0.728 19.534 19.000 -0.323 0.000 1.179 639 A HN 0.389 nan 8.150 nan 0.000 0.504 640 V N 3.232 122.675 119.914 -0.784 0.000 2.311 640 V HA 0.428 4.547 4.120 -0.001 0.000 0.275 640 V C -0.061 175.631 176.094 -0.670 0.000 1.022 640 V CA -0.409 61.414 62.300 -0.796 0.000 0.830 640 V CB 0.882 31.924 31.823 -1.302 0.000 1.012 640 V HN 0.817 nan 8.190 nan 0.000 0.452 641 K N 3.455 123.591 120.400 -0.439 0.000 2.646 641 K HA 0.388 4.708 4.320 -0.001 0.000 0.210 641 K C -0.417 176.040 176.600 -0.239 0.000 1.020 641 K CA 0.015 56.105 56.287 -0.328 0.000 1.040 641 K CB 1.304 33.642 32.500 -0.271 0.000 1.253 641 K HN 0.612 nan 8.250 nan 0.000 0.532 642 S N 1.948 117.511 115.700 -0.228 0.000 2.429 642 S HA 0.222 4.692 4.470 -0.001 0.000 0.302 642 S C 1.041 175.573 174.600 -0.114 0.000 1.115 642 S CA -0.015 58.092 58.200 -0.156 0.000 1.095 642 S CB 0.921 64.034 63.200 -0.146 0.000 0.987 642 S HN 0.582 nan 8.310 nan 0.000 0.474 643 S N 3.461 119.110 115.700 -0.085 0.000 2.402 643 S HA -0.138 4.332 4.470 -0.001 0.000 0.229 643 S C 1.874 176.449 174.600 -0.042 0.000 1.021 643 S CA 1.526 59.690 58.200 -0.060 0.000 0.974 643 S CB -1.240 61.931 63.200 -0.049 0.000 0.800 643 S HN 0.945 nan 8.310 nan 0.000 0.484 644 T N -1.421 113.111 114.554 -0.036 0.000 2.937 644 T HA 0.440 4.789 4.350 -0.001 0.000 0.260 644 T C 1.432 176.122 174.700 -0.016 0.000 1.051 644 T CA 0.685 62.775 62.100 -0.017 0.000 1.141 644 T CB -1.229 67.636 68.868 -0.005 0.000 0.879 644 T HN 1.422 nan 8.240 nan 0.000 0.459 645 G N 2.332 111.110 108.800 -0.037 0.000 2.782 645 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.228 645 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.228 645 G C -2.814 172.072 174.900 -0.023 0.000 1.372 645 G CA -0.662 44.413 45.100 -0.041 0.000 0.862 645 G HN 0.511 nan 8.290 nan 0.000 0.547 646 P HA 0.374 nan 4.420 nan 0.000 0.255 646 P C 0.717 178.024 177.300 0.012 0.000 1.161 646 P CA 1.671 64.765 63.100 -0.010 0.000 0.768 646 P CB 0.357 32.047 31.700 -0.017 0.000 0.746 647 G N 2.524 111.325 108.800 0.002 0.000 2.428 647 G HA2 0.062 4.022 3.960 -0.001 0.000 0.305 647 G HA3 0.062 4.022 3.960 -0.001 0.000 0.305 647 G C 0.352 175.248 174.900 -0.007 0.000 1.260 647 G CA -0.475 44.629 45.100 0.006 0.000 0.853 647 G HN 0.286 nan 8.290 nan 0.000 0.480 648 E N -0.308 119.889 120.200 -0.005 0.000 2.049 648 E HA -0.209 4.141 4.350 -0.001 0.000 0.198 648 E C 2.507 179.088 176.600 -0.032 0.000 1.007 648 E CA 1.521 57.907 56.400 -0.023 0.000 0.809 648 E CB -0.021 29.667 29.700 -0.020 0.000 0.749 648 E HN 0.366 nan 8.360 nan 0.000 0.450 649 Q N 0.328 120.134 119.800 0.010 0.000 2.045 649 Q HA -0.186 4.153 4.340 -0.001 0.000 0.206 649 Q C 2.330 178.377 176.000 0.079 0.000 0.991 649 Q CA 1.065 56.910 55.803 0.070 0.000 0.851 649 Q CB -0.535 28.245 28.738 0.070 0.000 0.911 649 Q HN 0.226 nan 8.270 nan 0.000 0.418 650 L N 0.901 122.141 121.223 0.029 0.000 2.109 650 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 650 L C 2.492 179.376 176.870 0.023 0.000 1.086 650 L CA 1.586 56.436 54.840 0.017 0.000 0.760 650 L CB -0.604 41.448 42.059 -0.012 0.000 0.910 650 L HN 0.121 nan 8.230 nan 0.000 0.437 651 R N -0.389 120.103 120.500 -0.014 0.000 2.103 651 R HA -0.240 4.099 4.340 -0.001 0.000 0.234 651 R C 2.057 178.379 176.300 0.037 0.000 1.132 651 R CA 2.309 58.381 56.100 -0.047 0.000 0.925 651 R CB -0.389 29.855 30.300 -0.094 0.000 0.842 651 R HN 0.392 nan 8.270 nan 0.000 0.430 652 N N 0.179 118.830 118.700 -0.082 0.000 2.166 652 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 652 N C 1.574 177.147 175.510 0.105 0.000 1.019 652 N CA 1.574 54.502 53.050 -0.204 0.000 0.856 652 N CB -0.348 37.669 38.487 -0.783 0.000 0.993 652 N HN 0.403 nan 8.380 nan 0.000 0.426 653 A N 0.915 123.886 122.820 0.252 0.000 1.873 653 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 653 A C 2.214 179.935 177.584 0.228 0.000 1.193 653 A CA 1.269 53.516 52.037 0.350 0.000 0.629 653 A CB -1.007 18.108 19.000 0.192 0.000 0.826 653 A HN 0.271 nan 8.150 nan 0.000 0.447 654 L N -1.794 119.519 121.223 0.150 0.000 2.079 654 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 654 L C 2.656 179.583 176.870 0.096 0.000 1.081 654 L CA 1.523 56.414 54.840 0.085 0.000 0.752 654 L CB -0.450 41.689 42.059 0.134 0.000 0.896 654 L HN 0.811 nan 8.230 nan 0.000 0.433 655 W N 0.587 121.895 121.300 0.013 0.000 2.418 655 W HA -0.149 4.510 4.660 -0.001 0.000 0.292 655 W C 0.957 177.519 176.519 0.071 0.000 1.213 655 W CA 0.740 58.020 57.345 -0.109 0.000 1.283 655 W CB -0.317 28.931 29.460 -0.353 0.000 1.119 655 W HN 0.127 nan 8.180 nan 0.000 0.542 656 H N 1.314 120.580 119.070 0.327 0.000 2.929 656 H HA 0.066 4.621 4.556 -0.001 0.000 0.317 656 H C -0.407 174.986 175.328 0.109 0.000 1.031 656 H CA 1.005 57.214 56.048 0.269 0.000 1.466 656 H CB 0.883 30.847 29.762 0.335 0.000 1.482 656 H HN -0.336 nan 8.280 nan 0.000 0.561 657 T N 4.778 119.120 114.554 -0.354 0.000 2.739 657 T HA 0.504 4.854 4.350 -0.001 0.000 0.298 657 T C 0.108 174.612 174.700 -0.327 0.000 0.929 657 T CA 0.347 62.293 62.100 -0.256 0.000 1.014 657 T CB -0.019 68.716 68.868 -0.221 0.000 0.914 657 T HN 0.934 nan 8.240 nan 0.000 0.509 658 G N 2.991 111.738 108.800 -0.088 0.000 2.326 658 G HA2 0.124 4.083 3.960 -0.001 0.000 0.413 658 G HA3 0.124 4.083 3.960 -0.001 0.000 0.413 658 G C -1.582 173.398 174.900 0.133 0.000 1.444 658 G CA -1.218 43.902 45.100 0.033 0.000 1.002 658 G HN 0.482 nan 8.290 nan 0.000 0.649 659 D N 0.496 120.929 120.400 0.054 0.000 2.449 659 D HA 0.472 5.111 4.640 -0.001 0.000 0.236 659 D C 0.429 176.708 176.300 -0.035 0.000 1.149 659 D CA 0.901 54.901 54.000 -0.001 0.000 0.878 659 D CB 0.920 41.703 40.800 -0.028 0.000 1.198 659 D HN 0.434 nan 8.370 nan 0.000 0.446 660 T N 1.884 116.388 114.554 -0.083 0.000 2.881 660 T HA 0.122 4.472 4.350 -0.001 0.000 0.291 660 T C -0.076 174.534 174.700 -0.150 0.000 0.990 660 T CA -0.847 61.144 62.100 -0.182 0.000 0.976 660 T CB 1.561 70.332 68.868 -0.163 0.000 0.970 660 T HN 0.134 nan 8.240 nan 0.000 0.438 661 E N 1.985 122.082 120.200 -0.172 0.000 2.820 661 E HA -0.070 4.280 4.350 -0.001 0.000 0.251 661 E C 0.883 177.424 176.600 -0.098 0.000 0.944 661 E CA 0.690 57.016 56.400 -0.123 0.000 0.955 661 E CB 0.299 29.924 29.700 -0.126 0.000 0.904 661 E HN 0.983 nan 8.360 nan 0.000 0.513 662 S N 2.066 117.714 115.700 -0.086 0.000 3.358 662 S HA -0.315 4.155 4.470 -0.001 0.000 0.309 662 S C 0.833 175.380 174.600 -0.089 0.000 1.247 662 S CA 2.112 60.264 58.200 -0.080 0.000 0.961 662 S CB -0.461 62.701 63.200 -0.064 0.000 1.074 662 S HN 0.646 nan 8.310 nan 0.000 0.625 663 Q N -0.830 118.911 119.800 -0.098 0.000 2.380 663 Q HA 0.581 4.920 4.340 -0.001 0.000 0.181 663 Q C -0.389 175.521 176.000 -0.151 0.000 0.657 663 Q CA 1.097 56.837 55.803 -0.105 0.000 0.819 663 Q CB 1.126 29.834 28.738 -0.051 0.000 1.184 663 Q HN 0.535 nan 8.270 nan 0.000 0.535 664 V N 2.328 122.167 119.914 -0.125 0.000 2.789 664 V HA 0.597 4.716 4.120 -0.001 0.000 0.311 664 V C -1.213 174.811 176.094 -0.116 0.000 1.073 664 V CA -0.958 61.248 62.300 -0.157 0.000 0.921 664 V CB 1.903 33.640 31.823 -0.144 0.000 1.009 664 V HN 0.258 nan 8.190 nan 0.000 0.426 665 R N 3.906 124.327 120.500 -0.131 0.000 2.343 665 R HA 0.564 4.903 4.340 -0.001 0.000 0.320 665 R C -1.017 175.244 176.300 -0.064 0.000 0.956 665 R CA -0.691 55.360 56.100 -0.082 0.000 0.836 665 R CB 2.050 32.307 30.300 -0.072 0.000 1.151 665 R HN 0.597 nan 8.270 nan 0.000 0.450 666 L N 5.558 126.757 121.223 -0.039 0.000 2.369 666 L HA 0.104 4.444 4.340 -0.001 0.000 0.279 666 L C 0.261 177.134 176.870 0.005 0.000 1.108 666 L CA -0.161 54.660 54.840 -0.032 0.000 0.852 666 L CB 0.527 42.560 42.059 -0.043 0.000 1.169 666 L HN 0.728 nan 8.230 nan 0.000 0.452 667 L N 3.396 124.648 121.223 0.048 0.000 2.906 667 L HA 0.469 4.808 4.340 -0.001 0.000 0.255 667 L C -0.547 176.451 176.870 0.213 0.000 1.166 667 L CA -0.447 54.454 54.840 0.100 0.000 0.977 667 L CB 0.082 42.199 42.059 0.096 0.000 1.313 667 L HN 0.563 nan 8.230 nan 0.000 0.549 668 W N 0.851 122.127 121.300 -0.040 0.000 4.179 668 W HA 0.448 5.108 4.660 -0.001 0.000 0.279 668 W C -1.711 174.766 176.519 -0.069 0.000 1.268 668 W CA -1.099 56.218 57.345 -0.046 0.000 1.284 668 W CB 0.925 30.360 29.460 -0.041 0.000 1.216 668 W HN -0.077 nan 8.180 nan 0.000 0.509 669 K N 4.122 123.987 120.400 -0.893 0.000 2.164 669 K HA 0.331 4.651 4.320 -0.001 0.000 0.258 669 K C -0.450 175.183 176.600 -1.612 0.000 0.951 669 K CA -0.651 54.994 56.287 -1.071 0.000 0.844 669 K CB 1.262 33.451 32.500 -0.519 0.000 1.099 669 K HN 0.454 nan 8.250 nan 0.000 0.435 670 D N 4.988 124.463 120.400 -1.543 0.000 2.401 670 D HA 0.073 4.712 4.640 -0.001 0.000 0.254 670 D C -1.781 174.278 176.300 -0.401 0.000 1.192 670 D CA -1.875 51.616 54.000 -0.848 0.000 0.885 670 D CB 1.416 41.846 40.800 -0.616 0.000 1.147 670 D HN 0.278 nan 8.370 nan 0.000 0.478 671 P HA -0.094 nan 4.420 nan 0.000 0.219 671 P C 1.157 178.405 177.300 -0.086 0.000 1.146 671 P CA 0.903 63.941 63.100 -0.103 0.000 0.808 671 P CB 0.184 31.879 31.700 -0.008 0.000 0.779 672 R N -1.046 119.409 120.500 -0.074 0.000 2.120 672 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 672 R C 0.538 176.798 176.300 -0.067 0.000 1.123 672 R CA 0.686 56.757 56.100 -0.048 0.000 0.975 672 R CB -0.969 29.314 30.300 -0.028 0.000 0.866 672 R HN 0.087 nan 8.270 nan 0.000 0.446 673 N N -0.431 118.198 118.700 -0.118 0.000 2.686 673 N HA -0.156 4.583 4.740 -0.001 0.000 0.261 673 N C -1.827 173.647 175.510 -0.059 0.000 1.001 673 N CA 0.473 53.454 53.050 -0.115 0.000 0.764 673 N CB -0.350 38.073 38.487 -0.108 0.000 0.898 673 N HN -0.060 nan 8.380 nan 0.000 0.544 674 V N 0.109 120.019 119.914 -0.007 0.000 2.495 674 V HA 0.770 4.890 4.120 -0.001 0.000 0.298 674 V C 1.477 177.687 176.094 0.195 0.000 1.031 674 V CA -0.381 61.953 62.300 0.056 0.000 0.871 674 V CB 1.738 33.618 31.823 0.095 0.000 0.988 674 V HN 0.389 nan 8.190 nan 0.000 0.432 675 G N 3.289 112.066 108.800 -0.038 0.000 2.616 675 G HA2 0.326 4.286 3.960 -0.001 0.000 0.268 675 G HA3 0.326 4.286 3.960 -0.001 0.000 0.268 675 G C -0.073 174.510 174.900 -0.528 0.000 1.213 675 G CA -0.612 44.279 45.100 -0.349 0.000 0.926 675 G HN 0.814 nan 8.290 nan 0.000 0.523 676 W N -0.472 120.104 121.300 -1.207 0.000 2.161 676 W HA 0.525 5.184 4.660 -0.001 0.000 0.344 676 W C -0.326 175.971 176.519 -0.371 0.000 1.262 676 W CA -0.874 55.828 57.345 -1.071 0.000 1.270 676 W CB 0.325 29.054 29.460 -1.218 0.000 1.126 676 W HN 0.194 nan 8.180 nan 0.000 0.598 677 K N 1.522 122.077 120.400 0.258 0.000 2.098 677 K HA 0.090 4.409 4.320 -0.001 0.000 0.261 677 K C -0.133 176.613 176.600 0.242 0.000 0.987 677 K CA -0.844 55.536 56.287 0.156 0.000 0.916 677 K CB 0.768 33.346 32.500 0.131 0.000 1.039 677 K HN 0.259 nan 8.250 nan 0.000 0.455 678 D N 2.296 122.776 120.400 0.134 0.000 2.478 678 D HA -0.064 4.575 4.640 -0.001 0.000 0.234 678 D C -0.122 176.139 176.300 -0.066 0.000 1.154 678 D CA 0.594 54.651 54.000 0.095 0.000 0.874 678 D CB 0.324 41.152 40.800 0.048 0.000 1.198 678 D HN 0.363 nan 8.370 nan 0.000 0.455 679 K N -0.347 119.952 120.400 -0.169 0.000 3.415 679 K HA -0.287 4.032 4.320 -0.001 0.000 0.271 679 K C -0.121 176.160 176.600 -0.532 0.000 0.876 679 K CA 0.755 56.852 56.287 -0.317 0.000 0.670 679 K CB -0.872 31.613 32.500 -0.026 0.000 1.510 679 K HN 0.294 nan 8.250 nan 0.000 0.455 680 K N -0.010 119.956 120.400 -0.723 0.000 2.371 680 K HA 0.396 4.716 4.320 -0.001 0.000 0.251 680 K C -0.913 175.251 176.600 -0.727 0.000 0.934 680 K CA -0.593 55.364 56.287 -0.550 0.000 0.798 680 K CB 1.882 34.183 32.500 -0.332 0.000 1.204 680 K HN -0.003 nan 8.250 nan 0.000 0.427 681 S N 2.790 118.223 115.700 -0.444 0.000 2.480 681 S HA 0.445 4.914 4.470 -0.001 0.000 0.286 681 S C -1.236 173.139 174.600 -0.375 0.000 1.180 681 S CA -0.411 57.651 58.200 -0.229 0.000 1.075 681 S CB 0.149 63.383 63.200 0.057 0.000 0.996 681 S HN 0.447 nan 8.310 nan 0.000 0.487 682 Y N 1.196 121.675 120.300 0.300 0.000 2.409 682 Y HA 0.564 5.113 4.550 -0.001 0.000 0.339 682 Y C 0.404 176.594 175.900 0.483 0.000 1.033 682 Y CA -0.973 57.442 58.100 0.525 0.000 1.094 682 Y CB 1.225 40.239 38.460 0.923 0.000 1.210 682 Y HN 0.477 nan 8.280 nan 0.000 0.456 683 R N 2.813 123.632 120.500 0.531 0.000 2.393 683 R HA 0.390 4.730 4.340 -0.001 0.000 0.310 683 R C -1.692 174.777 176.300 0.283 0.000 0.968 683 R CA -0.686 55.592 56.100 0.296 0.000 0.867 683 R CB 0.787 31.132 30.300 0.075 0.000 1.124 683 R HN 0.742 nan 8.270 nan 0.000 0.450 684 W N 5.238 126.495 121.300 -0.072 0.000 2.551 684 W HA 0.566 5.226 4.660 -0.001 0.000 0.330 684 W C -1.921 174.416 176.519 -0.303 0.000 1.063 684 W CA -1.476 55.558 57.345 -0.519 0.000 1.222 684 W CB 0.667 29.566 29.460 -0.934 0.000 1.349 684 W HN 0.388 nan 8.180 nan 0.000 0.536 685 F N 6.548 126.375 119.950 -0.204 0.000 2.536 685 F HA 0.627 5.153 4.527 -0.001 0.000 0.322 685 F C -1.853 173.920 175.800 -0.046 0.000 1.144 685 F CA -1.801 56.108 58.000 -0.152 0.000 0.924 685 F CB 1.332 40.282 39.000 -0.084 0.000 1.181 685 F HN 0.519 nan 8.300 nan 0.000 0.438 686 L N 5.686 126.544 121.223 -0.608 0.000 2.346 686 L HA 0.657 4.997 4.340 -0.001 0.000 0.274 686 L C -1.552 174.899 176.870 -0.697 0.000 1.007 686 L CA -0.072 54.467 54.840 -0.502 0.000 0.818 686 L CB 2.101 44.063 42.059 -0.163 0.000 1.284 686 L HN 0.704 nan 8.230 nan 0.000 0.424 687 Q N 3.147 122.648 119.800 -0.500 0.000 2.292 687 Q HA 0.391 4.730 4.340 -0.001 0.000 0.270 687 Q C -1.693 174.224 176.000 -0.138 0.000 1.024 687 Q CA -0.683 54.943 55.803 -0.295 0.000 0.768 687 Q CB 2.024 30.674 28.738 -0.146 0.000 1.250 687 Q HN 0.677 nan 8.270 nan 0.000 0.447 688 H N 2.290 121.228 119.070 -0.220 0.000 2.658 688 H HA 0.412 4.968 4.556 -0.001 0.000 0.337 688 H C -1.206 174.094 175.328 -0.047 0.000 1.009 688 H CA -0.697 55.248 56.048 -0.171 0.000 1.231 688 H CB 0.852 30.480 29.762 -0.224 0.000 1.508 688 H HN 0.393 nan 8.280 nan 0.000 0.517 689 R N 6.648 126.971 120.500 -0.296 0.000 2.494 689 R HA 0.185 4.524 4.340 -0.001 0.000 0.284 689 R C -2.354 173.733 176.300 -0.356 0.000 1.525 689 R CA -1.802 54.122 56.100 -0.293 0.000 1.460 689 R CB 1.051 31.214 30.300 -0.229 0.000 1.134 689 R HN 0.581 nan 8.270 nan 0.000 0.592 690 P HA -0.226 nan 4.420 nan 0.000 0.221 690 P C 1.047 178.281 177.300 -0.111 0.000 1.145 690 P CA 1.172 64.103 63.100 -0.282 0.000 0.795 690 P CB 0.425 32.022 31.700 -0.171 0.000 0.775 691 Q N 0.350 120.084 119.800 -0.110 0.000 2.030 691 Q HA -0.123 4.216 4.340 -0.001 0.000 0.204 691 Q C 2.186 178.149 176.000 -0.061 0.000 0.986 691 Q CA 1.827 57.593 55.803 -0.062 0.000 0.843 691 Q CB -1.947 26.756 28.738 -0.058 0.000 0.904 691 Q HN 0.303 nan 8.270 nan 0.000 0.420 692 V N 0.043 119.881 119.914 -0.127 0.000 3.354 692 V HA 0.327 4.446 4.120 -0.001 0.000 0.258 692 V C 1.056 177.084 176.094 -0.110 0.000 1.159 692 V CA 1.502 63.714 62.300 -0.147 0.000 1.125 692 V CB -0.413 31.147 31.823 -0.438 0.000 0.774 692 V HN 0.646 nan 8.190 nan 0.000 0.464 693 G N -0.006 108.731 108.800 -0.106 0.000 2.248 693 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.252 693 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.252 693 G C -0.316 174.543 174.900 -0.068 0.000 1.085 693 G CA 0.339 45.410 45.100 -0.049 0.000 0.845 693 G HN 0.941 nan 8.290 nan 0.000 0.494 694 Y N -0.079 120.055 120.300 -0.276 0.000 2.313 694 Y HA 0.698 5.247 4.550 -0.001 0.000 0.332 694 Y C 0.381 176.176 175.900 -0.176 0.000 1.071 694 Y CA -0.879 57.056 58.100 -0.275 0.000 1.169 694 Y CB 0.735 38.965 38.460 -0.384 0.000 1.192 694 Y HN 0.208 nan 8.280 nan 0.000 0.487 695 I N 7.479 127.762 120.570 -0.479 0.000 2.512 695 I HA 0.435 4.605 4.170 -0.001 0.000 0.287 695 I C -0.926 174.832 176.117 -0.598 0.000 1.069 695 I CA -0.832 60.241 61.300 -0.379 0.000 1.056 695 I CB 1.534 39.392 38.000 -0.237 0.000 1.229 695 I HN 0.488 nan 8.210 nan 0.000 0.429 696 R N 5.499 125.725 120.500 -0.456 0.000 2.515 696 R HA 0.633 4.973 4.340 -0.001 0.000 0.291 696 R C -2.098 174.027 176.300 -0.292 0.000 1.046 696 R CA -0.512 55.356 56.100 -0.387 0.000 0.914 696 R CB 2.479 32.627 30.300 -0.253 0.000 1.191 696 R HN 0.453 nan 8.270 nan 0.000 0.435 697 V N 5.192 124.934 119.914 -0.286 0.000 2.735 697 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 697 V C -1.339 174.675 176.094 -0.133 0.000 1.061 697 V CA -0.630 61.575 62.300 -0.158 0.000 0.913 697 V CB 2.037 33.873 31.823 0.021 0.000 1.005 697 V HN 0.916 nan 8.190 nan 0.000 0.428 698 R N 4.142 124.632 120.500 -0.018 0.000 2.663 698 R HA 0.655 4.995 4.340 -0.001 0.000 0.267 698 R C -2.246 174.107 176.300 0.088 0.000 1.038 698 R CA -0.711 55.452 56.100 0.106 0.000 0.886 698 R CB 1.406 31.772 30.300 0.110 0.000 1.249 698 R HN 0.483 nan 8.270 nan 0.000 0.463 699 F N 1.072 121.096 119.950 0.124 0.000 2.547 699 F HA 0.493 5.020 4.527 -0.001 0.000 0.316 699 F C -1.037 174.805 175.800 0.070 0.000 1.121 699 F CA -0.667 57.471 58.000 0.230 0.000 0.911 699 F CB 2.129 41.226 39.000 0.162 0.000 1.179 699 F HN 0.384 nan 8.300 nan 0.000 0.443 700 Y N 1.312 121.862 120.300 0.416 0.000 2.352 700 Y HA 0.370 4.920 4.550 -0.001 0.000 0.339 700 Y C -0.198 175.946 175.900 0.407 0.000 0.992 700 Y CA -1.079 57.216 58.100 0.325 0.000 1.100 700 Y CB 1.756 40.328 38.460 0.188 0.000 1.192 700 Y HN 0.474 nan 8.280 nan 0.000 0.458 701 E N 2.500 122.966 120.200 0.443 0.000 2.113 701 E HA 0.486 4.836 4.350 -0.001 0.000 0.273 701 E C 0.742 177.455 176.600 0.189 0.000 0.924 701 E CA 0.128 56.727 56.400 0.332 0.000 0.764 701 E CB 0.572 30.494 29.700 0.370 0.000 1.104 701 E HN 0.881 nan 8.360 nan 0.000 0.406 702 G N 5.814 114.669 108.800 0.091 0.000 2.634 702 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.309 702 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.309 702 G C -1.673 173.300 174.900 0.121 0.000 1.265 702 G CA 0.213 45.334 45.100 0.034 0.000 0.998 702 G HN 0.653 nan 8.290 nan 0.000 0.551 703 P HA 0.269 nan 4.420 nan 0.000 0.272 703 P C 0.003 177.496 177.300 0.322 0.000 1.408 703 P CA 0.412 63.634 63.100 0.203 0.000 0.996 703 P CB 0.566 32.362 31.700 0.159 0.000 1.481 704 E N 1.001 121.366 120.200 0.275 0.000 2.197 704 E HA 0.229 4.578 4.350 -0.001 0.000 0.281 704 E C -0.555 176.123 176.600 0.129 0.000 0.995 704 E CA -0.926 55.603 56.400 0.216 0.000 0.808 704 E CB 0.843 30.630 29.700 0.145 0.000 1.093 704 E HN -0.060 nan 8.360 nan 0.000 0.394 705 L N 6.517 127.679 121.223 -0.101 0.000 2.455 705 L HA 0.040 4.380 4.340 -0.001 0.000 0.272 705 L C 0.394 177.162 176.870 -0.170 0.000 1.174 705 L CA 0.577 55.065 54.840 -0.587 0.000 0.869 705 L CB 1.096 42.858 42.059 -0.495 0.000 1.130 705 L HN 0.683 nan 8.230 nan 0.000 0.474 706 V N 2.168 122.032 119.914 -0.082 0.000 3.497 706 V HA 0.631 4.750 4.120 -0.001 0.000 0.272 706 V C 0.385 176.525 176.094 0.078 0.000 1.474 706 V CA 0.428 62.765 62.300 0.062 0.000 1.025 706 V CB 0.151 32.072 31.823 0.165 0.000 0.820 706 V HN 0.890 nan 8.190 nan 0.000 0.437 707 A N 0.259 123.141 122.820 0.103 0.000 2.589 707 A HA 0.775 5.094 4.320 -0.001 0.000 0.296 707 A C -2.161 175.532 177.584 0.181 0.000 1.062 707 A CA 0.058 52.210 52.037 0.192 0.000 0.686 707 A CB 2.079 21.194 19.000 0.193 0.000 1.282 707 A HN 0.284 nan 8.150 nan 0.000 0.404 708 D N 0.636 121.113 120.400 0.129 0.000 2.738 708 D HA 0.309 4.949 4.640 -0.001 0.000 0.218 708 D C 0.933 176.968 176.300 -0.441 0.000 1.345 708 D CA 0.390 54.324 54.000 -0.110 0.000 0.943 708 D CB 1.720 42.498 40.800 -0.036 0.000 1.514 708 D HN 0.499 nan 8.370 nan 0.000 0.585 709 S N 3.302 118.354 115.700 -1.079 0.000 2.442 709 S HA -0.078 4.391 4.470 -0.001 0.000 0.236 709 S C 1.122 175.269 174.600 -0.756 0.000 1.007 709 S CA 0.607 57.760 58.200 -1.745 0.000 0.965 709 S CB -0.429 61.956 63.200 -1.358 0.000 0.773 709 S HN 0.739 nan 8.310 nan 0.000 0.504 710 N N -0.223 118.229 118.700 -0.413 0.000 6.746 710 N HA -0.235 4.504 4.740 -0.001 0.000 0.415 710 N C -0.445 174.888 175.510 -0.295 0.000 0.941 710 N CA 0.956 53.875 53.050 -0.219 0.000 1.510 710 N CB -0.854 37.571 38.487 -0.102 0.000 0.796 710 N HN 0.552 nan 8.380 nan 0.000 0.371 711 V N 2.072 121.850 119.914 -0.227 0.000 2.450 711 V HA 0.331 4.450 4.120 -0.001 0.000 0.281 711 V C 0.007 175.813 176.094 -0.479 0.000 1.019 711 V CA 0.009 62.041 62.300 -0.446 0.000 1.062 711 V CB 0.301 31.974 31.823 -0.250 0.000 0.979 711 V HN 0.336 nan 8.190 nan 0.000 0.477 712 V N 8.681 128.274 119.914 -0.535 0.000 2.357 712 V HA 0.389 4.508 4.120 -0.001 0.000 0.284 712 V C -0.174 175.730 176.094 -0.317 0.000 1.018 712 V CA -0.760 61.337 62.300 -0.339 0.000 0.841 712 V CB 1.456 33.133 31.823 -0.244 0.000 0.991 712 V HN 0.681 nan 8.190 nan 0.000 0.437 713 L N 5.363 126.461 121.223 -0.208 0.000 2.260 713 L HA 0.610 4.950 4.340 -0.001 0.000 0.289 713 L C -0.082 176.777 176.870 -0.018 0.000 1.057 713 L CA 0.628 55.407 54.840 -0.101 0.000 0.811 713 L CB 0.863 42.913 42.059 -0.015 0.000 1.184 713 L HN 0.724 nan 8.230 nan 0.000 0.429 714 D N 1.596 122.000 120.400 0.008 0.000 2.609 714 D HA 0.209 4.849 4.640 -0.001 0.000 0.239 714 D C -0.492 175.892 176.300 0.139 0.000 1.229 714 D CA -0.117 53.937 54.000 0.090 0.000 0.808 714 D CB 2.945 43.837 40.800 0.153 0.000 1.448 714 D HN 0.398 nan 8.370 nan 0.000 0.433 715 T N 0.523 115.176 114.554 0.165 0.000 3.192 715 T HA 0.128 4.477 4.350 -0.001 0.000 0.295 715 T C 1.085 175.879 174.700 0.156 0.000 0.947 715 T CA 0.506 62.701 62.100 0.158 0.000 0.916 715 T CB 0.108 69.030 68.868 0.091 0.000 1.169 715 T HN 0.412 nan 8.240 nan 0.000 0.540 716 T N 2.968 117.612 114.554 0.150 0.000 2.803 716 T HA 0.046 4.396 4.350 -0.001 0.000 0.269 716 T C 0.789 175.461 174.700 -0.047 0.000 1.052 716 T CA 0.967 63.060 62.100 -0.011 0.000 1.136 716 T CB -0.221 68.549 68.868 -0.162 0.000 0.864 716 T HN 0.449 nan 8.240 nan 0.000 0.467 717 M N 0.561 120.206 119.600 0.076 0.000 2.165 717 M HA 0.468 4.947 4.480 -0.001 0.000 0.283 717 M C -0.931 175.567 176.300 0.330 0.000 0.978 717 M CA -0.520 54.851 55.300 0.119 0.000 0.948 717 M CB 1.927 34.507 32.600 -0.032 0.000 1.599 717 M HN -0.191 nan 8.290 nan 0.000 0.450 718 R N 2.093 122.718 120.500 0.209 0.000 3.235 718 R HA 0.580 4.919 4.340 -0.001 0.000 0.232 718 R C 0.379 176.809 176.300 0.216 0.000 1.475 718 R CA 0.324 56.543 56.100 0.199 0.000 1.405 718 R CB 0.096 30.463 30.300 0.112 0.000 1.266 718 R HN 1.088 nan 8.270 nan 0.000 0.650 719 G N -0.282 108.735 108.800 0.361 0.000 2.479 719 G HA2 0.234 4.194 3.960 -0.001 0.000 0.686 719 G HA3 0.234 4.194 3.960 -0.001 0.000 0.686 719 G C -0.370 174.714 174.900 0.307 0.000 1.295 719 G CA -0.737 44.566 45.100 0.338 0.000 0.922 719 G HN 0.782 nan 8.290 nan 0.000 0.582 720 G N -0.974 108.007 108.800 0.302 0.000 2.357 720 G HA2 0.561 4.520 3.960 -0.001 0.000 0.289 720 G HA3 0.561 4.520 3.960 -0.001 0.000 0.289 720 G C -0.533 174.556 174.900 0.315 0.000 1.302 720 G CA 0.040 45.294 45.100 0.257 0.000 0.936 720 G HN 0.956 nan 8.290 nan 0.000 0.513 721 R N -1.053 119.617 120.500 0.283 0.000 2.607 721 R HA 0.766 5.105 4.340 -0.001 0.000 0.261 721 R C -0.175 176.218 176.300 0.156 0.000 1.051 721 R CA -0.708 55.531 56.100 0.232 0.000 1.110 721 R CB 0.937 31.307 30.300 0.118 0.000 1.158 721 R HN 0.407 nan 8.270 nan 0.000 0.543 722 L N -0.190 121.075 121.223 0.071 0.000 2.334 722 L HA 0.721 5.061 4.340 -0.001 0.000 0.272 722 L C 0.486 177.405 176.870 0.083 0.000 1.020 722 L CA -0.431 54.401 54.840 -0.015 0.000 0.812 722 L CB 2.020 43.848 42.059 -0.385 0.000 1.264 722 L HN 0.854 nan 8.230 nan 0.000 0.439 723 G N 0.551 109.369 108.800 0.029 0.000 2.490 723 G HA2 0.549 4.508 3.960 -0.001 0.000 0.308 723 G HA3 0.549 4.508 3.960 -0.001 0.000 0.308 723 G C -1.591 173.200 174.900 -0.181 0.000 1.286 723 G CA -0.216 44.755 45.100 -0.214 0.000 0.825 723 G HN 0.549 nan 8.290 nan 0.000 0.479 724 V N -2.291 117.330 119.914 -0.489 0.000 2.960 724 V HA 0.932 5.051 4.120 -0.001 0.000 0.315 724 V C -0.989 174.977 176.094 -0.212 0.000 1.087 724 V CA -1.137 60.862 62.300 -0.502 0.000 0.982 724 V CB 1.810 32.784 31.823 -1.415 0.000 1.039 724 V HN 1.351 nan 8.190 nan 0.000 0.437 725 F N 3.306 123.258 119.950 0.004 0.000 2.578 725 F HA 0.877 5.404 4.527 -0.001 0.000 0.311 725 F C -0.289 175.807 175.800 0.494 0.000 1.094 725 F CA -0.430 57.690 58.000 0.199 0.000 0.923 725 F CB 1.573 40.640 39.000 0.113 0.000 1.230 725 F HN 1.143 nan 8.300 nan 0.000 0.450 726 C N 3.381 122.440 119.300 -0.402 0.000 3.291 726 C HA 0.795 5.254 4.460 -0.001 0.000 0.316 726 C C -1.340 173.308 174.990 -0.570 0.000 1.391 726 C CA -1.380 57.392 59.018 -0.410 0.000 1.394 726 C CB 1.411 29.243 27.740 0.152 0.000 1.744 726 C HN 1.047 nan 8.230 nan 0.000 0.461 727 F N 1.736 121.508 119.950 -0.297 0.000 3.152 727 F HA 0.464 4.991 4.527 -0.001 0.000 0.367 727 F C 0.604 176.550 175.800 0.243 0.000 1.272 727 F CA 0.566 58.552 58.000 -0.023 0.000 1.172 727 F CB 1.030 40.054 39.000 0.039 0.000 1.552 727 F HN 1.179 nan 8.300 nan 0.000 0.616 728 S N 2.934 119.015 115.700 0.636 0.000 3.361 728 S HA -0.265 4.205 4.470 -0.001 0.000 0.288 728 S C -0.565 174.248 174.600 0.355 0.000 1.269 728 S CA 1.392 59.915 58.200 0.539 0.000 0.976 728 S CB -0.986 62.641 63.200 0.712 0.000 1.162 728 S HN 0.865 nan 8.310 nan 0.000 0.643 729 Q N 1.442 121.400 119.800 0.263 0.000 2.337 729 Q HA 0.643 4.983 4.340 -0.001 0.000 0.266 729 Q C -0.694 175.362 176.000 0.094 0.000 1.023 729 Q CA -0.494 55.419 55.803 0.184 0.000 0.829 729 Q CB 1.436 30.283 28.738 0.182 0.000 1.306 729 Q HN 0.641 nan 8.270 nan 0.000 0.449 730 E N 1.730 121.968 120.200 0.063 0.000 2.207 730 E HA 0.521 4.870 4.350 -0.001 0.000 0.270 730 E C -0.860 175.727 176.600 -0.022 0.000 0.927 730 E CA -0.887 55.523 56.400 0.018 0.000 0.799 730 E CB 1.033 30.750 29.700 0.027 0.000 1.172 730 E HN 0.749 nan 8.360 nan 0.000 0.404 731 N N 0.642 119.322 118.700 -0.033 0.000 2.780 731 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 731 N C -0.963 174.467 175.510 -0.134 0.000 1.102 731 N CA 0.087 53.106 53.050 -0.053 0.000 0.697 731 N CB -1.343 37.121 38.487 -0.038 0.000 1.028 731 N HN 0.502 nan 8.380 nan 0.000 0.554 732 I N 1.450 121.898 120.570 -0.204 0.000 2.471 732 I HA 0.181 4.351 4.170 -0.001 0.000 0.286 732 I C 0.644 176.503 176.117 -0.430 0.000 1.079 732 I CA -0.053 60.959 61.300 -0.480 0.000 1.398 732 I CB 0.488 38.055 38.000 -0.722 0.000 1.403 732 I HN 0.076 nan 8.210 nan 0.000 0.530 733 I N 5.904 126.263 120.570 -0.352 0.000 2.321 733 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 733 I C -0.529 175.521 176.117 -0.112 0.000 0.998 733 I CA -0.349 60.883 61.300 -0.113 0.000 1.227 733 I CB 0.652 38.602 38.000 -0.082 0.000 1.368 733 I HN 0.469 nan 8.210 nan 0.000 0.466 734 W N 6.413 127.850 121.300 0.228 0.000 2.288 734 W HA 0.649 5.308 4.660 -0.001 0.000 0.325 734 W C -0.045 176.588 176.519 0.190 0.000 1.019 734 W CA -0.721 56.823 57.345 0.332 0.000 1.403 734 W CB 1.260 30.969 29.460 0.415 0.000 1.226 734 W HN 0.472 nan 8.180 nan 0.000 0.391 735 A N 3.306 126.298 122.820 0.286 0.000 2.311 735 A HA 0.465 4.785 4.320 -0.001 0.000 0.334 735 A C 0.650 178.278 177.584 0.072 0.000 1.139 735 A CA -0.586 51.544 52.037 0.153 0.000 0.830 735 A CB 0.717 19.762 19.000 0.076 0.000 1.234 735 A HN 0.687 nan 8.150 nan 0.000 0.483 736 N N -0.493 118.250 118.700 0.072 0.000 2.714 736 N HA -0.129 4.610 4.740 -0.001 0.000 0.253 736 N C -0.940 174.552 175.510 -0.030 0.000 1.024 736 N CA 0.295 53.358 53.050 0.022 0.000 0.726 736 N CB -1.378 37.105 38.487 -0.007 0.000 0.908 736 N HN 0.476 nan 8.380 nan 0.000 0.542 737 L N 0.919 122.174 121.223 0.054 0.000 2.426 737 L HA 0.414 4.753 4.340 -0.001 0.000 0.271 737 L C 0.974 177.904 176.870 0.099 0.000 1.169 737 L CA 0.680 55.584 54.840 0.108 0.000 0.836 737 L CB 0.774 43.049 42.059 0.360 0.000 1.112 737 L HN 0.276 nan 8.230 nan 0.000 0.465 738 R N 3.513 124.091 120.500 0.130 0.000 2.533 738 R HA 0.474 4.813 4.340 -0.001 0.000 0.288 738 R C -1.531 174.954 176.300 0.309 0.000 1.039 738 R CA -0.754 55.403 56.100 0.095 0.000 0.909 738 R CB 2.254 32.565 30.300 0.018 0.000 1.195 738 R HN 0.543 nan 8.270 nan 0.000 0.438 739 Y N -0.560 119.874 120.300 0.224 0.000 2.536 739 Y HA 0.778 5.328 4.550 -0.001 0.000 0.347 739 Y C -0.746 175.240 175.900 0.142 0.000 1.000 739 Y CA -1.579 56.610 58.100 0.150 0.000 1.051 739 Y CB 1.795 40.227 38.460 -0.047 0.000 1.259 739 Y HN 0.501 nan 8.280 nan 0.000 0.468 740 R N 1.110 121.842 120.500 0.387 0.000 2.604 740 R HA 0.585 4.925 4.340 -0.001 0.000 0.270 740 R C -1.868 174.614 176.300 0.304 0.000 1.052 740 R CA -0.635 55.655 56.100 0.317 0.000 0.902 740 R CB 1.644 32.066 30.300 0.203 0.000 1.233 740 R HN 1.037 nan 8.270 nan 0.000 0.455 741 c N 2.986 121.779 118.600 0.320 0.000 2.651 741 c HA 0.256 4.826 4.570 -0.001 0.000 0.410 741 c C 0.011 174.195 174.090 0.157 0.000 1.372 741 c CA 0.050 56.539 56.329 0.267 0.000 1.707 741 c CB -0.878 41.752 42.510 0.199 0.000 2.501 741 c HN 0.518 nan 8.230 nan 0.000 0.598 742 N N 2.212 120.985 118.700 0.121 0.000 2.594 742 N HA 0.172 4.911 4.740 -0.001 0.000 0.280 742 N C -0.146 175.377 175.510 0.023 0.000 1.156 742 N CA -0.224 52.864 53.050 0.063 0.000 0.831 742 N CB 1.017 39.541 38.487 0.061 0.000 1.379 742 N HN 0.579 nan 8.380 nan 0.000 0.536 743 D N 0.169 120.575 120.400 0.010 0.000 2.327 743 D HA -0.013 4.627 4.640 -0.001 0.000 0.205 743 D C 0.279 176.550 176.300 -0.049 0.000 0.989 743 D CA 0.806 54.794 54.000 -0.019 0.000 0.873 743 D CB 0.360 41.157 40.800 -0.005 0.000 0.955 743 D HN 0.600 nan 8.370 nan 0.000 0.515 744 T N 1.163 115.692 114.554 -0.042 0.000 2.784 744 T HA 0.173 4.522 4.350 -0.001 0.000 0.291 744 T C 0.911 175.552 174.700 -0.098 0.000 0.942 744 T CA -0.642 61.425 62.100 -0.055 0.000 1.161 744 T CB 0.297 69.142 68.868 -0.037 0.000 0.885 744 T HN -0.109 nan 8.240 nan 0.000 0.534 745 I N 4.381 124.876 120.570 -0.125 0.000 2.710 745 I HA 0.203 4.372 4.170 -0.001 0.000 0.286 745 I C -1.901 174.095 176.117 -0.202 0.000 1.181 745 I CA -2.293 58.873 61.300 -0.224 0.000 1.430 745 I CB -0.766 37.139 38.000 -0.158 0.000 1.367 745 I HN 0.448 nan 8.210 nan 0.000 0.577 746 P HA 0.232 nan 4.420 nan 0.000 0.276 746 P C 0.796 178.045 177.300 -0.086 0.000 1.244 746 P CA -0.530 62.448 63.100 -0.203 0.000 0.801 746 P CB 1.078 32.621 31.700 -0.262 0.000 1.006 747 E N 1.015 121.205 120.200 -0.016 0.000 2.048 747 E HA -0.284 4.066 4.350 -0.001 0.000 0.202 747 E C 1.069 177.702 176.600 0.055 0.000 1.021 747 E CA 1.880 58.292 56.400 0.020 0.000 0.825 747 E CB -0.175 29.541 29.700 0.026 0.000 0.756 747 E HN 0.586 nan 8.360 nan 0.000 0.454 748 D N -0.533 119.922 120.400 0.092 0.000 2.378 748 D HA -0.176 4.463 4.640 -0.001 0.000 0.227 748 D C 1.518 177.963 176.300 0.242 0.000 1.012 748 D CA 0.318 54.405 54.000 0.145 0.000 0.905 748 D CB -0.651 40.244 40.800 0.158 0.000 0.895 748 D HN 0.487 nan 8.370 nan 0.000 0.532 749 Y N 1.441 121.797 120.300 0.093 0.000 2.200 749 Y HA -0.162 4.387 4.550 -0.001 0.000 0.290 749 Y C 2.018 178.003 175.900 0.142 0.000 1.137 749 Y CA 1.383 59.578 58.100 0.159 0.000 1.163 749 Y CB 0.225 38.660 38.460 -0.042 0.000 0.988 749 Y HN -0.142 nan 8.280 nan 0.000 0.518 750 E N -0.090 119.990 120.200 -0.199 0.000 2.072 750 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 750 E C 2.081 178.603 176.600 -0.129 0.000 0.985 750 E CA 1.782 58.018 56.400 -0.273 0.000 0.801 750 E CB -0.717 28.907 29.700 -0.127 0.000 0.750 750 E HN 0.515 nan 8.360 nan 0.000 0.452 751 T N 0.540 115.080 114.554 -0.024 0.000 2.778 751 T HA -0.215 4.134 4.350 -0.001 0.000 0.269 751 T C 1.800 176.517 174.700 0.028 0.000 1.050 751 T CA 1.906 64.014 62.100 0.013 0.000 1.137 751 T CB -0.417 68.482 68.868 0.052 0.000 0.860 751 T HN 0.335 nan 8.240 nan 0.000 0.468 752 H N 0.720 119.775 119.070 -0.026 0.000 2.395 752 H HA 0.014 4.569 4.556 -0.001 0.000 0.299 752 H C 2.425 177.720 175.328 -0.055 0.000 1.070 752 H CA 1.171 57.216 56.048 -0.006 0.000 1.356 752 H CB 0.144 29.952 29.762 0.076 0.000 1.401 752 H HN 0.156 nan 8.280 nan 0.000 0.524 753 Q N 0.060 119.829 119.800 -0.051 0.000 2.163 753 Q HA -0.038 4.301 4.340 -0.001 0.000 0.198 753 Q C 2.379 178.324 176.000 -0.092 0.000 0.954 753 Q CA 0.595 56.340 55.803 -0.097 0.000 0.851 753 Q CB -0.352 28.261 28.738 -0.208 0.000 0.928 753 Q HN 0.481 nan 8.270 nan 0.000 0.459 754 L N 0.818 121.987 121.223 -0.090 0.000 2.549 754 L HA -0.045 4.294 4.340 -0.001 0.000 0.229 754 L C 1.905 178.738 176.870 -0.062 0.000 1.158 754 L CA 0.665 55.465 54.840 -0.065 0.000 0.842 754 L CB 0.092 42.119 42.059 -0.054 0.000 0.952 754 L HN 0.011 nan 8.230 nan 0.000 0.452 755 R N -1.222 119.226 120.500 -0.088 0.000 2.388 755 R HA 0.030 4.370 4.340 -0.001 0.000 0.247 755 R C 1.352 177.587 176.300 -0.108 0.000 0.931 755 R CA -0.104 55.936 56.100 -0.100 0.000 1.082 755 R CB 0.254 30.474 30.300 -0.133 0.000 1.135 755 R HN 0.395 nan 8.270 nan 0.000 0.525 756 Q N -0.605 119.142 119.800 -0.088 0.000 2.245 756 Q HA 0.124 4.464 4.340 -0.001 0.000 0.201 756 Q C 0.401 176.374 176.000 -0.045 0.000 0.955 756 Q CA 0.817 56.581 55.803 -0.065 0.000 0.870 756 Q CB 0.596 29.306 28.738 -0.047 0.000 0.945 756 Q HN 0.299 nan 8.270 nan 0.000 0.461 757 A N 0.000 122.796 122.820 -0.040 0.000 2.254 757 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 757 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 757 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 757 A HN 0.000 nan 8.150 nan 0.000 0.486