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 1vsy_1_4 DATA FIRST_RESID 239 DATA SEQUENCE NVNHWTNELK NCLHFDFPVA LRKSLATVYY YLSLVQGQKV YRQMHVDMFE DATA SEQUENCE RLVSLDDDRT QFTELLQKQG LLLDHQIMLN FLCEFLPYPD PDYARYELSS DATA SEQUENCE KEDLQLFRLL LKHAHNAKPF FDKSKESLLV DTMNFLLSSL APSTMMAVMP DATA SEQUENCE IVTSVVPYHY HIHSKIIDYF PFCYSIWSSV SANVAIDTHM YDFVGSISKD DATA SEQUENCE VHNKILSSEH EKDVVGVEFG EFGIFTDDQM TFMFNRLQGH LRTDGQIHSY DATA SEQUENCE SRTVKPFVYA INGSKKDRFF EKLVSLAKAI ETFIHPSNNG FWTKPNAKFV DATA SEQUENCE HAFIKSYHGR VKYEEDICAR GVTNGICLTS FCHEEIVEIF LNIISLGSQN DATA SEQUENCE KNPDIANYYI SCFAYLLELD PSNAYLIYDK ILIDLYDTLA DQFINSRHRI DATA SEQUENCE ISSLKQFTRV IRFIVMDKLY RVHITNVLSM LVSKLDMNDT NLTSNLINGI DATA SEQUENCE VSIAAFIPIQ DLTGEDDYIS FESDTLPLVQ QHFYHIKCGE SSKTFRVDDE DATA SEQUENCE LLNNAFKAST TVFQSMLKVY VEKIFQLVDV DLEDSLVTKI NQTTMILQES DATA SEQUENCE MDDKIFNYFA SLLNRNFWSN DSFKEKDPNY ELVTIPLAAL VRRNNGLSKE DATA SEQUENCE LVRTLLFHIK EQIKRGAGSV RSTSEIQQRD VKLVLYLTAL NDVLRNCHES DATA SEQUENCE LLEYSDELIT FMKYLYDNVT NPPLDVITSI VIHSALATLC TTEITDCRLF DATA SEQUENCE PEDSKIPEKD RWGGLQFDPR RFDKQHLSFQ WHVPSSDEIT LSISILESLS DATA SEQUENCE EYCINNVEEL MKAPRHDSEY GDMIQKYVLV MTHTLSGSSL LFDPDFNKY 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 239 N HA 0.000 nan 4.740 nan 0.000 0.220 239 N C 0.000 175.658 175.510 0.247 0.000 1.280 239 N CA 0.000 53.150 53.050 0.166 0.000 0.885 239 N CB 0.000 38.529 38.487 0.070 0.000 1.341 240 V N 3.249 123.296 119.914 0.222 0.000 2.237 240 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 240 V C 2.147 178.411 176.094 0.282 0.000 1.046 240 V CA 1.581 64.035 62.300 0.258 0.000 1.007 240 V CB -0.562 31.382 31.823 0.201 0.000 0.638 240 V HN 0.670 nan 8.190 nan 0.000 0.445 241 N N -0.665 118.187 118.700 0.253 0.000 2.192 241 N HA -0.211 4.529 4.740 -0.001 0.000 0.188 241 N C 1.810 177.437 175.510 0.195 0.000 1.013 241 N CA 1.590 54.799 53.050 0.264 0.000 0.863 241 N CB -0.551 38.075 38.487 0.232 0.000 0.990 241 N HN 0.697 nan 8.380 nan 0.000 0.430 242 H N -1.092 117.979 119.070 0.002 0.000 2.299 242 H HA -0.119 4.437 4.556 -0.001 0.000 0.302 242 H C 1.669 176.913 175.328 -0.140 0.000 1.078 242 H CA 1.605 57.552 56.048 -0.168 0.000 1.323 242 H CB -0.253 29.254 29.762 -0.425 0.000 1.381 242 H HN 0.288 nan 8.280 nan 0.000 0.498 243 W N 1.083 122.385 121.300 0.002 0.000 2.358 243 W HA -0.145 4.515 4.660 -0.001 0.000 0.303 243 W C 2.821 179.333 176.519 -0.013 0.000 1.208 243 W CA 1.242 58.553 57.345 -0.056 0.000 1.274 243 W CB -0.482 29.008 29.460 0.050 0.000 1.138 243 W HN 0.153 nan 8.180 nan 0.000 0.515 244 T N 0.040 114.784 114.554 0.317 0.000 2.869 244 T HA -0.278 4.072 4.350 -0.001 0.000 0.270 244 T C 1.447 176.230 174.700 0.137 0.000 1.082 244 T CA 1.601 63.885 62.100 0.307 0.000 1.123 244 T CB -0.410 68.714 68.868 0.426 0.000 0.856 244 T HN 0.311 nan 8.240 nan 0.000 0.499 245 N N 0.328 119.056 118.700 0.047 0.000 2.258 245 N HA -0.064 4.676 4.740 -0.001 0.000 0.183 245 N C 1.743 177.219 175.510 -0.056 0.000 1.029 245 N CA 0.552 53.586 53.050 -0.027 0.000 0.857 245 N CB 0.172 38.628 38.487 -0.051 0.000 1.008 245 N HN 0.194 nan 8.380 nan 0.000 0.433 246 E N 1.629 121.757 120.200 -0.120 0.000 2.267 246 E HA -0.162 4.187 4.350 -0.001 0.000 0.197 246 E C 1.946 178.564 176.600 0.030 0.000 0.998 246 E CA 0.233 56.608 56.400 -0.040 0.000 0.830 246 E CB -0.132 29.567 29.700 -0.001 0.000 0.751 246 E HN 0.460 nan 8.360 nan 0.000 0.491 247 L N 0.923 122.179 121.223 0.055 0.000 1.988 247 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 247 L C 2.640 179.479 176.870 -0.052 0.000 1.071 247 L CA 1.489 56.337 54.840 0.012 0.000 0.744 247 L CB -0.253 41.847 42.059 0.069 0.000 0.893 247 L HN 0.032 nan 8.230 nan 0.000 0.433 248 K N -0.024 120.349 120.400 -0.045 0.000 2.077 248 K HA -0.297 4.023 4.320 -0.001 0.000 0.213 248 K C 1.763 178.323 176.600 -0.067 0.000 1.051 248 K CA 2.219 58.468 56.287 -0.062 0.000 0.929 248 K CB -0.200 32.271 32.500 -0.049 0.000 0.715 248 K HN 0.378 nan 8.250 nan 0.000 0.451 249 N N 0.234 118.899 118.700 -0.058 0.000 2.364 249 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 249 N C 1.483 176.858 175.510 -0.226 0.000 1.022 249 N CA 1.032 54.054 53.050 -0.047 0.000 0.883 249 N CB -0.355 38.130 38.487 -0.002 0.000 0.965 249 N HN 0.313 nan 8.380 nan 0.000 0.438 250 C N 0.017 119.116 119.300 -0.335 0.000 2.563 250 C HA 0.218 4.677 4.460 -0.001 0.000 0.268 250 C C 2.378 176.901 174.990 -0.779 0.000 1.365 250 C CA -0.345 58.230 59.018 -0.738 0.000 1.754 250 C CB -0.926 26.637 27.740 -0.296 0.000 1.932 250 C HN 0.396 nan 8.230 nan 0.000 0.536 251 L N 1.242 122.276 121.223 -0.315 0.000 2.456 251 L HA -0.148 4.192 4.340 -0.001 0.000 0.224 251 L C 2.664 179.447 176.870 -0.144 0.000 1.148 251 L CA 1.278 56.056 54.840 -0.104 0.000 0.825 251 L CB -0.978 41.061 42.059 -0.033 0.000 0.937 251 L HN 0.632 nan 8.230 nan 0.000 0.450 252 H N 0.511 119.413 119.070 -0.281 0.000 2.456 252 H HA -0.098 4.458 4.556 -0.001 0.000 0.296 252 H C 0.924 176.210 175.328 -0.069 0.000 1.079 252 H CA 0.601 56.545 56.048 -0.174 0.000 1.322 252 H CB -0.118 29.550 29.762 -0.155 0.000 1.388 252 H HN 0.327 nan 8.280 nan 0.000 0.538 253 F N 1.013 120.925 119.950 -0.064 0.000 2.450 253 F HA 0.559 5.086 4.527 -0.001 0.000 0.361 253 F C -0.023 175.822 175.800 0.076 0.000 1.092 253 F CA -1.964 56.059 58.000 0.039 0.000 1.105 253 F CB 0.209 39.204 39.000 -0.009 0.000 1.458 253 F HN -0.193 nan 8.300 nan 0.000 0.496 254 D N -0.816 119.902 120.400 0.530 0.000 2.384 254 D HA 0.569 5.209 4.640 -0.001 0.000 0.250 254 D C -1.218 175.339 176.300 0.429 0.000 1.029 254 D CA 0.221 54.419 54.000 0.331 0.000 0.990 254 D CB 2.214 43.115 40.800 0.168 0.000 1.175 254 D HN 0.555 nan 8.370 nan 0.000 0.532 255 F N -2.280 117.746 119.950 0.127 0.000 2.725 255 F HA 0.402 4.929 4.527 -0.001 0.000 0.309 255 F C -2.991 172.859 175.800 0.083 0.000 1.132 255 F CA -1.839 56.210 58.000 0.080 0.000 0.957 255 F CB -0.071 38.977 39.000 0.080 0.000 1.286 255 F HN -0.030 nan 8.300 nan 0.000 0.440 256 P HA 0.119 nan 4.420 nan 0.000 0.261 256 P C 0.922 178.267 177.300 0.075 0.000 1.173 256 P CA -0.222 62.944 63.100 0.109 0.000 0.760 256 P CB 0.970 32.754 31.700 0.141 0.000 0.783 257 V N 2.663 122.607 119.914 0.049 0.000 2.688 257 V HA -0.276 3.844 4.120 -0.001 0.000 0.256 257 V C 2.148 178.290 176.094 0.081 0.000 1.084 257 V CA 2.276 64.621 62.300 0.075 0.000 1.103 257 V CB -1.397 30.472 31.823 0.076 0.000 0.688 257 V HN 0.712 nan 8.190 nan 0.000 0.480 258 A N -0.436 122.434 122.820 0.082 0.000 2.066 258 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 258 A C 2.054 179.698 177.584 0.099 0.000 1.157 258 A CA 1.393 53.475 52.037 0.074 0.000 0.670 258 A CB -0.235 18.800 19.000 0.058 0.000 0.804 258 A HN 0.467 nan 8.150 nan 0.000 0.453 259 L N -1.012 120.310 121.223 0.166 0.000 2.354 259 L HA 0.196 4.535 4.340 -0.001 0.000 0.212 259 L C 2.164 179.200 176.870 0.277 0.000 1.091 259 L CA 1.082 56.049 54.840 0.212 0.000 0.828 259 L CB -0.461 41.770 42.059 0.286 0.000 0.973 259 L HN 0.247 nan 8.230 nan 0.000 0.461 260 R N -0.128 120.554 120.500 0.302 0.000 2.083 260 R HA -0.183 4.156 4.340 -0.001 0.000 0.237 260 R C 2.217 178.558 176.300 0.070 0.000 1.137 260 R CA 1.477 57.686 56.100 0.182 0.000 0.951 260 R CB -0.361 29.940 30.300 0.001 0.000 0.851 260 R HN 0.309 nan 8.270 nan 0.000 0.434 261 K N 0.461 120.891 120.400 0.049 0.000 2.059 261 K HA -0.198 4.122 4.320 -0.001 0.000 0.212 261 K C 2.077 178.695 176.600 0.030 0.000 1.050 261 K CA 2.035 58.328 56.287 0.009 0.000 0.927 261 K CB -0.058 32.458 32.500 0.025 0.000 0.714 261 K HN 0.060 nan 8.250 nan 0.000 0.447 262 S N 1.147 116.884 115.700 0.061 0.000 2.343 262 S HA -0.093 4.377 4.470 -0.001 0.000 0.219 262 S C 2.020 176.668 174.600 0.081 0.000 1.033 262 S CA 1.161 59.397 58.200 0.061 0.000 1.014 262 S CB -0.279 62.950 63.200 0.047 0.000 0.915 262 S HN 0.253 nan 8.310 nan 0.000 0.435 263 L N 1.214 122.502 121.223 0.108 0.000 1.990 263 L HA -0.240 4.100 4.340 -0.001 0.000 0.213 263 L C 2.827 179.842 176.870 0.242 0.000 1.072 263 L CA 1.468 56.405 54.840 0.163 0.000 0.755 263 L CB -0.835 41.340 42.059 0.192 0.000 0.889 263 L HN 0.351 nan 8.230 nan 0.000 0.432 264 A N -0.413 122.497 122.820 0.150 0.000 1.892 264 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 264 A C 2.314 180.105 177.584 0.344 0.000 1.188 264 A CA 2.639 54.755 52.037 0.132 0.000 0.631 264 A CB -1.108 17.760 19.000 -0.219 0.000 0.822 264 A HN 0.460 nan 8.150 nan 0.000 0.447 265 T N -0.321 114.364 114.554 0.218 0.000 2.759 265 T HA -0.123 4.226 4.350 -0.001 0.000 0.269 265 T C 1.849 176.777 174.700 0.380 0.000 1.042 265 T CA 1.506 63.788 62.100 0.304 0.000 1.140 265 T CB -0.484 68.517 68.868 0.222 0.000 0.864 265 T HN 0.190 nan 8.240 nan 0.000 0.455 266 V N 0.114 120.147 119.914 0.198 0.000 2.261 266 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 266 V C 2.014 178.097 176.094 -0.018 0.000 1.047 266 V CA 1.636 63.947 62.300 0.019 0.000 1.015 266 V CB -0.727 30.972 31.823 -0.207 0.000 0.642 266 V HN 0.540 nan 8.190 nan 0.000 0.446 267 Y N -1.897 118.545 120.300 0.237 0.000 2.516 267 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 267 Y C 2.241 178.292 175.900 0.252 0.000 1.131 267 Y CA 1.317 59.553 58.100 0.228 0.000 1.281 267 Y CB -0.323 38.312 38.460 0.291 0.000 1.013 267 Y HN 0.313 nan 8.280 nan 0.000 0.554 268 Y N -0.798 119.667 120.300 0.275 0.000 2.133 268 Y HA -0.294 4.255 4.550 -0.001 0.000 0.287 268 Y C 1.594 177.432 175.900 -0.104 0.000 1.134 268 Y CA 1.607 59.614 58.100 -0.155 0.000 1.133 268 Y CB -0.746 37.466 38.460 -0.414 0.000 0.987 268 Y HN 0.112 nan 8.280 nan 0.000 0.502 269 Y N -1.188 119.198 120.300 0.143 0.000 2.457 269 Y HA -0.099 4.451 4.550 -0.001 0.000 0.292 269 Y C 2.110 177.990 175.900 -0.034 0.000 1.125 269 Y CA 0.592 58.716 58.100 0.040 0.000 1.254 269 Y CB -0.214 38.322 38.460 0.127 0.000 1.012 269 Y HN 0.233 nan 8.280 nan 0.000 0.555 270 L N -0.635 120.635 121.223 0.078 0.000 2.044 270 L HA -0.153 4.186 4.340 -0.001 0.000 0.205 270 L C 2.283 179.155 176.870 0.004 0.000 1.075 270 L CA 1.637 56.462 54.840 -0.025 0.000 0.747 270 L CB -0.991 40.941 42.059 -0.212 0.000 0.903 270 L HN -0.029 nan 8.230 nan 0.000 0.435 271 S N -0.360 115.326 115.700 -0.024 0.000 2.402 271 S HA -0.142 4.328 4.470 -0.001 0.000 0.233 271 S C 1.434 176.007 174.600 -0.044 0.000 1.030 271 S CA 1.248 59.392 58.200 -0.092 0.000 1.003 271 S CB -0.352 62.521 63.200 -0.545 0.000 0.813 271 S HN 0.294 nan 8.310 nan 0.000 0.477 272 L N 1.562 122.766 121.223 -0.032 0.000 2.737 272 L HA 0.246 4.586 4.340 -0.001 0.000 0.236 272 L C 0.172 177.124 176.870 0.137 0.000 1.219 272 L CA 0.103 55.010 54.840 0.112 0.000 1.021 272 L CB -0.628 41.455 42.059 0.040 0.000 1.291 272 L HN 0.014 nan 8.230 nan 0.000 0.470 273 V N -0.045 119.940 119.914 0.117 0.000 3.287 273 V HA 0.065 4.185 4.120 -0.001 0.000 0.306 273 V C 0.345 176.491 176.094 0.086 0.000 1.103 273 V CA -0.052 62.300 62.300 0.086 0.000 1.159 273 V CB 1.040 32.919 31.823 0.094 0.000 1.036 273 V HN 0.428 nan 8.190 nan 0.000 0.487 274 Q N 0.389 120.202 119.800 0.022 0.000 2.377 274 Q HA 0.550 4.889 4.340 -0.001 0.000 0.279 274 Q C 0.372 176.384 176.000 0.020 0.000 1.049 274 Q CA -0.002 55.809 55.803 0.012 0.000 0.825 274 Q CB 2.202 30.864 28.738 -0.126 0.000 1.401 274 Q HN 1.013 nan 8.270 nan 0.000 0.404 275 G N 1.085 109.910 108.800 0.042 0.000 2.255 275 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.196 275 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.196 275 G C -0.233 174.692 174.900 0.041 0.000 0.998 275 G CA 0.368 45.486 45.100 0.030 0.000 0.656 275 G HN 0.554 nan 8.290 nan 0.000 0.490 276 Q N -0.091 119.746 119.800 0.061 0.000 2.615 276 Q HA 0.631 4.971 4.340 -0.001 0.000 0.298 276 Q C -0.366 175.684 176.000 0.083 0.000 1.023 276 Q CA -1.128 54.713 55.803 0.064 0.000 0.768 276 Q CB 0.902 29.675 28.738 0.058 0.000 1.500 276 Q HN 0.284 nan 8.270 nan 0.000 0.441 277 K N 0.796 121.240 120.400 0.072 0.000 2.430 277 K HA 0.204 4.524 4.320 -0.001 0.000 0.280 277 K C -0.975 175.689 176.600 0.108 0.000 1.063 277 K CA -0.069 56.265 56.287 0.078 0.000 1.071 277 K CB 0.185 32.718 32.500 0.054 0.000 0.899 277 K HN 0.340 nan 8.250 nan 0.000 0.473 278 V N 4.296 124.288 119.914 0.130 0.000 2.638 278 V HA 0.038 4.158 4.120 -0.001 0.000 0.306 278 V C -1.072 175.129 176.094 0.178 0.000 1.052 278 V CA -1.012 61.390 62.300 0.170 0.000 0.885 278 V CB 1.314 33.250 31.823 0.188 0.000 0.999 278 V HN 0.706 nan 8.190 nan 0.000 0.424 279 Y N 4.857 125.135 120.300 -0.037 0.000 2.724 279 Y HA 0.277 4.827 4.550 -0.001 0.000 0.354 279 Y C 1.550 177.268 175.900 -0.304 0.000 1.270 279 Y CA -0.381 57.634 58.100 -0.142 0.000 1.902 279 Y CB -0.528 37.846 38.460 -0.142 0.000 1.981 279 Y HN 0.630 nan 8.280 nan 0.000 0.428 280 R N 0.298 120.758 120.500 -0.066 0.000 2.094 280 R HA -0.231 4.109 4.340 -0.001 0.000 0.239 280 R C 2.081 178.216 176.300 -0.276 0.000 1.137 280 R CA 1.811 57.827 56.100 -0.141 0.000 0.943 280 R CB 0.097 30.380 30.300 -0.029 0.000 0.850 280 R HN 0.523 nan 8.270 nan 0.000 0.433 281 Q N -0.004 119.644 119.800 -0.254 0.000 2.242 281 Q HA -0.273 4.067 4.340 -0.001 0.000 0.211 281 Q C 1.922 177.666 176.000 -0.427 0.000 0.992 281 Q CA 1.806 57.444 55.803 -0.274 0.000 0.889 281 Q CB -0.175 28.467 28.738 -0.159 0.000 0.913 281 Q HN 0.452 nan 8.270 nan 0.000 0.422 282 M N -0.864 118.268 119.600 -0.780 0.000 2.193 282 M HA -0.144 4.335 4.480 -0.001 0.000 0.265 282 M C 1.576 177.703 176.300 -0.289 0.000 1.071 282 M CA 1.297 56.201 55.300 -0.660 0.000 1.140 282 M CB 0.019 32.056 32.600 -0.937 0.000 1.369 282 M HN 0.157 nan 8.290 nan 0.000 0.423 283 H N -0.575 118.398 119.070 -0.161 0.000 2.403 283 H HA 0.014 4.570 4.556 -0.001 0.000 0.298 283 H C 2.239 177.546 175.328 -0.034 0.000 1.059 283 H CA 1.606 57.649 56.048 -0.008 0.000 1.363 283 H CB -0.849 28.979 29.762 0.111 0.000 1.410 283 H HN 0.275 nan 8.280 nan 0.000 0.528 284 V N 1.176 121.066 119.914 -0.039 0.000 2.515 284 V HA -0.172 3.947 4.120 -0.001 0.000 0.250 284 V C 1.993 178.159 176.094 0.121 0.000 1.058 284 V CA 1.695 63.967 62.300 -0.047 0.000 1.064 284 V CB -0.199 31.533 31.823 -0.151 0.000 0.675 284 V HN 0.343 nan 8.190 nan 0.000 0.461 285 D N -0.687 119.714 120.400 0.002 0.000 2.194 285 D HA -0.069 4.571 4.640 -0.001 0.000 0.204 285 D C 2.196 178.476 176.300 -0.034 0.000 0.964 285 D CA 0.841 54.834 54.000 -0.011 0.000 0.846 285 D CB 0.044 40.797 40.800 -0.079 0.000 0.962 285 D HN 0.228 nan 8.370 nan 0.000 0.490 286 M N 0.018 119.550 119.600 -0.113 0.000 2.067 286 M HA -0.142 4.338 4.480 -0.001 0.000 0.260 286 M C 2.146 178.383 176.300 -0.104 0.000 1.069 286 M CA 0.982 56.115 55.300 -0.278 0.000 1.117 286 M CB -1.223 30.843 32.600 -0.890 0.000 1.334 286 M HN -0.003 nan 8.290 nan 0.000 0.407 287 F N 1.236 121.156 119.950 -0.051 0.000 2.065 287 F HA -0.276 4.250 4.527 -0.001 0.000 0.298 287 F C 2.484 178.330 175.800 0.077 0.000 1.112 287 F CA 2.354 60.419 58.000 0.109 0.000 1.212 287 F CB -0.416 38.787 39.000 0.338 0.000 0.975 287 F HN 0.327 nan 8.300 nan 0.000 0.476 288 E N -0.268 120.089 120.200 0.261 0.000 2.265 288 E HA -0.247 4.103 4.350 -0.001 0.000 0.196 288 E C 2.351 178.962 176.600 0.019 0.000 0.996 288 E CA 0.806 57.297 56.400 0.152 0.000 0.832 288 E CB -0.139 29.666 29.700 0.174 0.000 0.756 288 E HN 0.388 nan 8.360 nan 0.000 0.491 289 R N -0.153 120.328 120.500 -0.031 0.000 2.173 289 R HA 0.089 4.429 4.340 -0.001 0.000 0.208 289 R C 2.198 178.416 176.300 -0.137 0.000 1.035 289 R CA 0.079 56.141 56.100 -0.063 0.000 1.004 289 R CB 0.180 30.441 30.300 -0.065 0.000 0.917 289 R HN 0.231 nan 8.270 nan 0.000 0.462 290 L N 0.107 121.217 121.223 -0.188 0.000 2.313 290 L HA -0.011 4.329 4.340 -0.001 0.000 0.214 290 L C 1.302 177.997 176.870 -0.291 0.000 1.119 290 L CA 0.596 55.276 54.840 -0.266 0.000 0.809 290 L CB 0.379 42.297 42.059 -0.235 0.000 0.933 290 L HN 0.019 nan 8.230 nan 0.000 0.449 291 V N -1.660 118.113 119.914 -0.235 0.000 3.427 291 V HA 0.075 4.194 4.120 -0.001 0.000 0.305 291 V C 1.126 177.246 176.094 0.045 0.000 1.412 291 V CA -0.029 62.207 62.300 -0.106 0.000 1.086 291 V CB 0.675 32.361 31.823 -0.229 0.000 0.964 291 V HN 0.245 nan 8.190 nan 0.000 0.439 292 S N 0.515 116.233 115.700 0.030 0.000 2.593 292 S HA -0.026 4.443 4.470 -0.001 0.000 0.303 292 S C 0.741 175.425 174.600 0.140 0.000 1.267 292 S CA 0.196 58.447 58.200 0.085 0.000 1.047 292 S CB 0.446 63.692 63.200 0.078 0.000 0.777 292 S HN 0.317 nan 8.310 nan 0.000 0.498 293 L N 3.437 124.719 121.223 0.100 0.000 2.607 293 L HA 0.458 4.797 4.340 -0.001 0.000 0.228 293 L C 0.618 177.533 176.870 0.074 0.000 1.123 293 L CA 0.568 55.456 54.840 0.079 0.000 0.890 293 L CB 0.064 42.152 42.059 0.049 0.000 1.103 293 L HN 0.577 nan 8.230 nan 0.000 0.468 294 D N -0.850 119.605 120.400 0.091 0.000 3.407 294 D HA 0.031 4.671 4.640 -0.001 0.000 0.291 294 D C -0.536 175.823 176.300 0.098 0.000 1.309 294 D CA -0.060 53.989 54.000 0.082 0.000 0.747 294 D CB 0.251 41.093 40.800 0.070 0.000 1.343 294 D HN -0.141 nan 8.370 nan 0.000 0.631 295 D N 1.625 122.112 120.400 0.146 0.000 2.551 295 D HA 0.058 4.698 4.640 -0.001 0.000 0.223 295 D C -0.239 176.138 176.300 0.128 0.000 1.144 295 D CA 0.228 54.327 54.000 0.165 0.000 1.025 295 D CB 0.020 41.000 40.800 0.300 0.000 1.085 295 D HN 0.254 nan 8.370 nan 0.000 0.506 296 D N 2.929 123.380 120.400 0.086 0.000 2.956 296 D HA -0.255 4.385 4.640 -0.001 0.000 0.240 296 D C 0.758 177.081 176.300 0.039 0.000 1.141 296 D CA 0.507 54.544 54.000 0.061 0.000 0.820 296 D CB -0.629 40.205 40.800 0.058 0.000 0.988 296 D HN 0.692 nan 8.370 nan 0.000 0.417 297 R N -1.890 118.634 120.500 0.041 0.000 4.021 297 R HA -0.231 4.109 4.340 -0.001 0.000 0.448 297 R C 0.243 176.535 176.300 -0.014 0.000 0.916 297 R CA 2.004 58.118 56.100 0.023 0.000 1.618 297 R CB -1.793 28.517 30.300 0.017 0.000 2.271 297 R HN 0.421 nan 8.270 nan 0.000 0.507 298 T N 1.102 115.632 114.554 -0.040 0.000 2.869 298 T HA 0.219 4.569 4.350 -0.001 0.000 0.295 298 T C 0.005 174.616 174.700 -0.148 0.000 0.987 298 T CA -0.208 61.799 62.100 -0.156 0.000 1.109 298 T CB 1.522 70.233 68.868 -0.262 0.000 0.932 298 T HN 0.159 nan 8.240 nan 0.000 0.518 299 Q N 2.541 122.218 119.800 -0.205 0.000 2.348 299 Q HA 0.321 4.661 4.340 -0.001 0.000 0.265 299 Q C -0.576 175.320 176.000 -0.173 0.000 0.998 299 Q CA -0.555 55.186 55.803 -0.104 0.000 0.831 299 Q CB 0.435 29.151 28.738 -0.036 0.000 1.251 299 Q HN 0.665 nan 8.270 nan 0.000 0.456 300 F N 1.757 121.697 119.950 -0.017 0.000 2.797 300 F HA 0.068 4.594 4.527 -0.001 0.000 0.302 300 F C 1.735 177.552 175.800 0.027 0.000 1.130 300 F CA 0.514 58.500 58.000 -0.023 0.000 1.387 300 F CB 0.736 39.699 39.000 -0.060 0.000 1.107 300 F HN 0.556 nan 8.300 nan 0.000 0.577 301 T N -1.030 113.628 114.554 0.174 0.000 2.937 301 T HA -0.087 4.262 4.350 -0.001 0.000 0.260 301 T C 1.850 176.599 174.700 0.082 0.000 1.051 301 T CA 0.920 63.122 62.100 0.170 0.000 1.141 301 T CB -0.042 68.835 68.868 0.014 0.000 0.879 301 T HN 0.251 nan 8.240 nan 0.000 0.459 302 E N 1.039 121.247 120.200 0.013 0.000 2.031 302 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 302 E C 2.110 178.715 176.600 0.007 0.000 0.994 302 E CA 0.993 57.384 56.400 -0.016 0.000 0.800 302 E CB -0.249 29.424 29.700 -0.044 0.000 0.752 302 E HN 0.409 nan 8.360 nan 0.000 0.447 303 L N 0.608 121.822 121.223 -0.015 0.000 2.275 303 L HA -0.139 4.200 4.340 -0.001 0.000 0.215 303 L C 2.349 179.258 176.870 0.065 0.000 1.119 303 L CA 0.545 55.374 54.840 -0.018 0.000 0.790 303 L CB -0.241 41.747 42.059 -0.119 0.000 0.919 303 L HN 0.166 nan 8.230 nan 0.000 0.443 304 L N -1.097 120.213 121.223 0.146 0.000 2.249 304 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 304 L C 2.587 179.600 176.870 0.237 0.000 1.090 304 L CA 0.623 55.569 54.840 0.175 0.000 0.802 304 L CB -0.137 42.019 42.059 0.162 0.000 0.947 304 L HN 0.271 nan 8.230 nan 0.000 0.453 305 Q N 0.277 120.235 119.800 0.264 0.000 1.993 305 Q HA -0.262 4.077 4.340 -0.001 0.000 0.202 305 Q C 2.109 178.164 176.000 0.092 0.000 0.984 305 Q CA 1.805 57.709 55.803 0.169 0.000 0.837 305 Q CB 0.040 28.798 28.738 0.034 0.000 0.902 305 Q HN 0.267 nan 8.270 nan 0.000 0.423 306 K N 0.093 120.524 120.400 0.052 0.000 2.211 306 K HA -0.120 4.200 4.320 -0.001 0.000 0.204 306 K C 1.430 178.049 176.600 0.031 0.000 1.047 306 K CA 0.884 57.185 56.287 0.025 0.000 0.935 306 K CB 0.181 32.681 32.500 -0.001 0.000 0.728 306 K HN 0.128 nan 8.250 nan 0.000 0.452 307 Q N -0.302 119.526 119.800 0.047 0.000 2.212 307 Q HA 0.097 4.437 4.340 -0.001 0.000 0.213 307 Q C -0.030 175.997 176.000 0.045 0.000 0.874 307 Q CA 0.297 56.124 55.803 0.041 0.000 0.965 307 Q CB 1.032 29.795 28.738 0.042 0.000 1.074 307 Q HN 0.475 nan 8.270 nan 0.000 0.473 308 G N 1.729 110.562 108.800 0.055 0.000 2.256 308 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.272 308 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.272 308 G C -0.457 174.477 174.900 0.057 0.000 1.076 308 G CA 0.020 45.153 45.100 0.055 0.000 0.882 308 G HN 0.306 nan 8.290 nan 0.000 0.497 309 L N 0.245 121.512 121.223 0.073 0.000 2.292 309 L HA 0.882 5.222 4.340 -0.001 0.000 0.284 309 L C -0.150 176.780 176.870 0.100 0.000 1.065 309 L CA -0.931 53.924 54.840 0.024 0.000 0.806 309 L CB 1.152 43.122 42.059 -0.147 0.000 1.175 309 L HN 0.196 nan 8.230 nan 0.000 0.431 310 L N 6.364 127.630 121.223 0.072 0.000 2.470 310 L HA 0.542 4.882 4.340 -0.001 0.000 0.268 310 L C -1.185 175.743 176.870 0.097 0.000 0.964 310 L CA -0.450 54.463 54.840 0.121 0.000 0.839 310 L CB 1.978 44.115 42.059 0.130 0.000 1.276 310 L HN 0.511 nan 8.230 nan 0.000 0.403 311 L N 1.297 122.563 121.223 0.071 0.000 2.362 311 L HA 0.507 4.846 4.340 -0.001 0.000 0.271 311 L C -0.532 176.448 176.870 0.184 0.000 1.002 311 L CA -0.788 54.003 54.840 -0.082 0.000 0.818 311 L CB 2.138 43.722 42.059 -0.791 0.000 1.298 311 L HN 0.461 nan 8.230 nan 0.000 0.420 312 D N 0.155 120.711 120.400 0.260 0.000 2.417 312 D HA 0.013 4.652 4.640 -0.001 0.000 0.250 312 D C 0.971 177.436 176.300 0.275 0.000 1.166 312 D CA 0.262 54.443 54.000 0.302 0.000 0.881 312 D CB 0.822 41.851 40.800 0.382 0.000 1.164 312 D HN 0.613 nan 8.370 nan 0.000 0.467 313 H N 1.617 120.649 119.070 -0.063 0.000 2.497 313 H HA 0.094 4.650 4.556 -0.001 0.000 0.282 313 H C 1.297 176.523 175.328 -0.169 0.000 1.003 313 H CA 0.251 56.053 56.048 -0.409 0.000 1.307 313 H CB 0.219 29.274 29.762 -1.178 0.000 1.437 313 H HN 0.259 nan 8.280 nan 0.000 0.544 314 Q N 0.876 120.301 119.800 -0.625 0.000 2.124 314 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 314 Q C 2.390 178.310 176.000 -0.133 0.000 0.977 314 Q CA 1.353 56.892 55.803 -0.442 0.000 0.850 314 Q CB -0.164 28.344 28.738 -0.383 0.000 0.901 314 Q HN 0.652 nan 8.270 nan 0.000 0.429 315 I N -0.295 120.277 120.570 0.004 0.000 2.252 315 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 315 I C 2.188 178.376 176.117 0.119 0.000 1.102 315 I CA 0.990 62.343 61.300 0.090 0.000 1.385 315 I CB 0.067 38.184 38.000 0.195 0.000 1.064 315 I HN 0.179 nan 8.210 nan 0.000 0.414 316 M N 0.712 120.396 119.600 0.140 0.000 2.077 316 M HA -0.181 4.298 4.480 -0.001 0.000 0.261 316 M C 2.046 178.422 176.300 0.127 0.000 1.070 316 M CA 1.892 57.285 55.300 0.154 0.000 1.125 316 M CB -0.746 31.992 32.600 0.231 0.000 1.339 316 M HN 0.318 nan 8.290 nan 0.000 0.409 317 L N 0.076 121.335 121.223 0.060 0.000 2.131 317 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 317 L C 1.657 178.591 176.870 0.107 0.000 1.092 317 L CA 1.688 56.562 54.840 0.057 0.000 0.759 317 L CB -0.603 41.449 42.059 -0.011 0.000 0.903 317 L HN 0.356 nan 8.230 nan 0.000 0.435 318 N N -0.654 118.091 118.700 0.075 0.000 2.289 318 N HA -0.202 4.538 4.740 -0.001 0.000 0.184 318 N C 1.525 177.161 175.510 0.209 0.000 1.016 318 N CA 1.412 54.520 53.050 0.097 0.000 0.872 318 N CB -0.245 38.256 38.487 0.023 0.000 0.973 318 N HN 0.489 nan 8.380 nan 0.000 0.433 319 F N 0.362 120.354 119.950 0.071 0.000 2.123 319 F HA 0.061 4.588 4.527 -0.001 0.000 0.289 319 F C 1.610 177.520 175.800 0.183 0.000 1.099 319 F CA 0.275 58.334 58.000 0.098 0.000 1.234 319 F CB 0.044 39.076 39.000 0.053 0.000 1.034 319 F HN -0.074 nan 8.300 nan 0.000 0.479 320 L N -0.342 121.069 121.223 0.315 0.000 2.551 320 L HA -0.290 4.050 4.340 -0.001 0.000 0.230 320 L C 1.727 178.826 176.870 0.381 0.000 1.163 320 L CA 0.318 55.273 54.840 0.192 0.000 0.826 320 L CB -0.615 41.451 42.059 0.012 0.000 0.943 320 L HN 0.368 nan 8.230 nan 0.000 0.452 321 C N -0.906 118.621 119.300 0.377 0.000 2.926 321 C HA 0.046 4.505 4.460 -0.001 0.000 0.272 321 C C 2.226 177.423 174.990 0.345 0.000 1.249 321 C CA -0.362 58.864 59.018 0.348 0.000 1.691 321 C CB -0.359 27.575 27.740 0.325 0.000 1.983 321 C HN 0.464 nan 8.230 nan 0.000 0.615 322 E N 0.382 120.814 120.200 0.386 0.000 2.347 322 E HA -0.089 4.260 4.350 -0.001 0.000 0.196 322 E C 0.626 177.340 176.600 0.191 0.000 1.008 322 E CA 0.971 57.534 56.400 0.271 0.000 0.852 322 E CB -0.056 29.795 29.700 0.252 0.000 0.783 322 E HN 0.668 nan 8.360 nan 0.000 0.505 323 F N 0.809 120.834 119.950 0.125 0.000 2.725 323 F HA 0.119 4.646 4.527 -0.001 0.000 0.303 323 F C 0.798 176.607 175.800 0.016 0.000 1.167 323 F CA 0.370 58.385 58.000 0.026 0.000 1.403 323 F CB -0.029 38.873 39.000 -0.162 0.000 1.077 323 F HN -0.136 nan 8.300 nan 0.000 0.537 324 L N 0.390 121.742 121.223 0.214 0.000 2.352 324 L HA 0.402 4.742 4.340 -0.001 0.000 0.269 324 L C -1.980 174.972 176.870 0.137 0.000 1.034 324 L CA -2.234 52.694 54.840 0.145 0.000 0.806 324 L CB 0.882 43.024 42.059 0.138 0.000 1.244 324 L HN -0.263 nan 8.230 nan 0.000 0.447 325 P HA -0.060 nan 4.420 nan 0.000 0.257 325 P C -1.079 176.294 177.300 0.122 0.000 1.227 325 P CA 0.242 63.396 63.100 0.090 0.000 0.981 325 P CB -0.457 31.268 31.700 0.043 0.000 1.044 326 Y N 6.349 126.678 120.300 0.047 0.000 2.436 326 Y HA 0.228 4.778 4.550 -0.001 0.000 0.336 326 Y C -1.692 174.237 175.900 0.049 0.000 1.049 326 Y CA -2.197 55.934 58.100 0.052 0.000 1.294 326 Y CB 0.005 38.505 38.460 0.067 0.000 1.179 326 Y HN 0.400 nan 8.280 nan 0.000 0.520 327 P HA -0.004 nan 4.420 nan 0.000 0.272 327 P C -0.838 176.446 177.300 -0.028 0.000 1.248 327 P CA 0.145 63.145 63.100 -0.167 0.000 0.799 327 P CB 0.353 31.907 31.700 -0.242 0.000 0.997 328 D N 0.035 120.458 120.400 0.039 0.000 4.028 328 D HA -0.114 4.526 4.640 -0.001 0.000 0.233 328 D C -1.334 175.081 176.300 0.191 0.000 1.080 328 D CA 0.028 54.109 54.000 0.134 0.000 1.181 328 D CB -0.371 40.562 40.800 0.220 0.000 0.815 328 D HN 0.202 nan 8.370 nan 0.000 0.401 329 P HA -0.194 nan 4.420 nan 0.000 0.217 329 P C 0.994 178.320 177.300 0.044 0.000 1.148 329 P CA 1.047 64.191 63.100 0.074 0.000 0.834 329 P CB 0.173 31.891 31.700 0.029 0.000 0.783 330 D N -1.861 118.545 120.400 0.010 0.000 2.357 330 D HA -0.163 4.477 4.640 -0.001 0.000 0.216 330 D C 1.435 177.531 176.300 -0.339 0.000 0.973 330 D CA 1.152 55.057 54.000 -0.158 0.000 0.912 330 D CB -0.337 40.343 40.800 -0.201 0.000 0.900 330 D HN 0.404 nan 8.370 nan 0.000 0.501 331 Y N -0.097 120.227 120.300 0.040 0.000 2.526 331 Y HA 0.340 4.889 4.550 -0.001 0.000 0.265 331 Y C 1.126 176.971 175.900 -0.091 0.000 1.092 331 Y CA -0.257 57.827 58.100 -0.026 0.000 1.277 331 Y CB 0.196 38.649 38.460 -0.011 0.000 1.228 331 Y HN -0.219 nan 8.280 nan 0.000 0.507 332 A N 1.517 124.421 122.820 0.139 0.000 2.573 332 A HA -0.065 4.255 4.320 -0.001 0.000 0.250 332 A C 1.408 178.947 177.584 -0.075 0.000 1.049 332 A CA 0.479 52.550 52.037 0.057 0.000 0.767 332 A CB 0.017 19.075 19.000 0.096 0.000 0.965 332 A HN 0.562 nan 8.150 nan 0.000 0.514 333 R N 1.421 121.818 120.500 -0.170 0.000 2.195 333 R HA 0.124 4.463 4.340 -0.001 0.000 0.197 333 R C -0.688 175.262 176.300 -0.584 0.000 0.990 333 R CA 0.538 56.395 56.100 -0.405 0.000 1.048 333 R CB 0.230 30.194 30.300 -0.561 0.000 0.997 333 R HN 0.788 nan 8.270 nan 0.000 0.502 334 Y N 0.781 120.929 120.300 -0.254 0.000 2.335 334 Y HA 0.366 4.916 4.550 -0.001 0.000 0.338 334 Y C -0.339 175.418 175.900 -0.238 0.000 0.977 334 Y CA -0.723 57.144 58.100 -0.388 0.000 1.114 334 Y CB 1.691 39.523 38.460 -1.047 0.000 1.182 334 Y HN -0.194 nan 8.280 nan 0.000 0.463 335 E N 3.980 124.175 120.200 -0.009 0.000 2.224 335 E HA 0.353 4.702 4.350 -0.001 0.000 0.265 335 E C -0.643 175.988 176.600 0.052 0.000 0.878 335 E CA -0.529 55.879 56.400 0.013 0.000 0.759 335 E CB 2.187 31.884 29.700 -0.004 0.000 1.164 335 E HN 0.646 nan 8.360 nan 0.000 0.414 336 L N 1.275 122.522 121.223 0.040 0.000 2.367 336 L HA -0.073 4.267 4.340 -0.001 0.000 0.215 336 L C 1.733 178.624 176.870 0.036 0.000 1.197 336 L CA 1.151 56.013 54.840 0.036 0.000 0.836 336 L CB -0.215 41.827 42.059 -0.028 0.000 1.242 336 L HN 0.960 nan 8.230 nan 0.000 0.553 337 S N -1.587 114.134 115.700 0.036 0.000 1.467 337 S HA -0.246 4.223 4.470 -0.001 0.000 0.243 337 S C 0.609 175.231 174.600 0.036 0.000 0.713 337 S CA 0.680 58.897 58.200 0.029 0.000 1.248 337 S CB -2.039 61.171 63.200 0.018 0.000 1.485 337 S HN 1.067 nan 8.310 nan 0.000 0.508 338 S N 2.695 118.421 115.700 0.043 0.000 3.036 338 S HA 0.599 5.069 4.470 -0.001 0.000 0.301 338 S C 0.800 175.438 174.600 0.063 0.000 1.205 338 S CA 0.123 58.348 58.200 0.042 0.000 0.999 338 S CB 0.889 64.107 63.200 0.030 0.000 1.337 338 S HN 0.692 nan 8.310 nan 0.000 0.515 339 K N 2.282 122.718 120.400 0.060 0.000 2.413 339 K HA -0.359 3.960 4.320 -0.001 0.000 0.205 339 K C 1.836 178.493 176.600 0.095 0.000 0.830 339 K CA 2.734 59.063 56.287 0.071 0.000 0.991 339 K CB -0.629 31.902 32.500 0.052 0.000 1.171 339 K HN 0.762 nan 8.250 nan 0.000 0.553 340 E N 0.157 120.408 120.200 0.085 0.000 2.208 340 E HA -0.252 4.098 4.350 -0.001 0.000 0.202 340 E C 1.593 178.291 176.600 0.163 0.000 1.014 340 E CA 1.832 58.294 56.400 0.103 0.000 0.819 340 E CB -0.188 29.558 29.700 0.076 0.000 0.735 340 E HN 0.433 nan 8.360 nan 0.000 0.469 341 D N 0.343 120.854 120.400 0.185 0.000 2.214 341 D HA -0.058 4.582 4.640 -0.001 0.000 0.217 341 D C 1.912 178.433 176.300 0.368 0.000 0.973 341 D CA 0.212 54.398 54.000 0.310 0.000 0.880 341 D CB -0.484 40.470 40.800 0.257 0.000 1.031 341 D HN 0.014 nan 8.370 nan 0.000 0.468 342 L N 0.952 122.326 121.223 0.252 0.000 2.189 342 L HA -0.196 4.143 4.340 -0.001 0.000 0.214 342 L C 1.988 178.985 176.870 0.210 0.000 1.097 342 L CA 1.691 56.667 54.840 0.226 0.000 0.764 342 L CB -0.297 41.848 42.059 0.143 0.000 0.900 342 L HN 0.032 nan 8.230 nan 0.000 0.436 343 Q N -1.114 118.790 119.800 0.173 0.000 2.269 343 Q HA -0.141 4.199 4.340 -0.001 0.000 0.201 343 Q C 2.256 178.315 176.000 0.100 0.000 0.946 343 Q CA 1.129 57.003 55.803 0.119 0.000 0.877 343 Q CB 0.001 28.799 28.738 0.101 0.000 0.963 343 Q HN 0.679 nan 8.270 nan 0.000 0.472 344 L N -0.125 121.191 121.223 0.154 0.000 2.023 344 L HA -0.126 4.214 4.340 -0.001 0.000 0.205 344 L C 2.186 179.033 176.870 -0.038 0.000 1.073 344 L CA 1.096 55.996 54.840 0.100 0.000 0.745 344 L CB -0.370 41.831 42.059 0.237 0.000 0.900 344 L HN 0.268 nan 8.230 nan 0.000 0.435 345 F N 0.932 120.741 119.950 -0.236 0.000 2.120 345 F HA -0.280 4.247 4.527 -0.001 0.000 0.300 345 F C 2.636 178.224 175.800 -0.353 0.000 1.095 345 F CA 1.697 59.314 58.000 -0.639 0.000 1.249 345 F CB -0.278 38.294 39.000 -0.713 0.000 0.995 345 F HN -0.002 nan 8.300 nan 0.000 0.480 346 R N -0.440 119.992 120.500 -0.115 0.000 2.237 346 R HA -0.124 4.215 4.340 -0.001 0.000 0.219 346 R C 1.987 178.190 176.300 -0.162 0.000 1.080 346 R CA 1.103 57.123 56.100 -0.133 0.000 0.995 346 R CB -0.574 29.728 30.300 0.004 0.000 0.875 346 R HN 0.347 nan 8.270 nan 0.000 0.462 347 L N 0.383 121.508 121.223 -0.163 0.000 2.130 347 L HA 0.014 4.354 4.340 -0.001 0.000 0.200 347 L C 2.053 178.816 176.870 -0.179 0.000 1.075 347 L CA 1.191 55.951 54.840 -0.134 0.000 0.768 347 L CB -0.330 41.666 42.059 -0.104 0.000 0.933 347 L HN 0.010 nan 8.230 nan 0.000 0.451 348 L N -0.876 120.170 121.223 -0.296 0.000 2.013 348 L HA -0.301 4.039 4.340 -0.001 0.000 0.212 348 L C 2.560 179.273 176.870 -0.261 0.000 1.073 348 L CA 1.617 56.263 54.840 -0.323 0.000 0.753 348 L CB -0.833 40.902 42.059 -0.539 0.000 0.890 348 L HN 0.296 nan 8.230 nan 0.000 0.432 349 L N -0.041 120.933 121.223 -0.415 0.000 2.079 349 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 349 L C 2.795 179.587 176.870 -0.131 0.000 1.081 349 L CA 1.561 56.195 54.840 -0.344 0.000 0.752 349 L CB -0.488 41.265 42.059 -0.511 0.000 0.896 349 L HN 0.348 nan 8.230 nan 0.000 0.433 350 K N -0.785 119.557 120.400 -0.096 0.000 2.062 350 K HA -0.249 4.071 4.320 -0.001 0.000 0.205 350 K C 2.213 178.872 176.600 0.098 0.000 1.051 350 K CA 1.407 57.694 56.287 0.001 0.000 0.941 350 K CB -0.108 32.387 32.500 -0.009 0.000 0.719 350 K HN 0.219 nan 8.250 nan 0.000 0.440 351 H N 0.516 119.553 119.070 -0.056 0.000 2.293 351 H HA -0.024 4.532 4.556 -0.001 0.000 0.300 351 H C 1.761 177.080 175.328 -0.015 0.000 1.082 351 H CA 2.125 58.138 56.048 -0.059 0.000 1.308 351 H CB -0.406 29.253 29.762 -0.171 0.000 1.375 351 H HN 0.359 nan 8.280 nan 0.000 0.495 352 A N -0.281 122.534 122.820 -0.008 0.000 1.873 352 A HA -0.310 4.009 4.320 -0.001 0.000 0.218 352 A C 2.273 179.860 177.584 0.004 0.000 1.193 352 A CA 2.210 54.255 52.037 0.013 0.000 0.629 352 A CB -1.337 17.696 19.000 0.054 0.000 0.826 352 A HN 0.751 nan 8.150 nan 0.000 0.447 353 H N 0.224 119.268 119.070 -0.044 0.000 2.394 353 H HA -0.160 4.396 4.556 -0.001 0.000 0.297 353 H C 1.952 177.255 175.328 -0.043 0.000 1.113 353 H CA 2.208 58.230 56.048 -0.043 0.000 1.277 353 H CB -0.048 29.710 29.762 -0.006 0.000 1.370 353 H HN 0.472 nan 8.280 nan 0.000 0.506 354 N N -0.051 118.713 118.700 0.107 0.000 2.142 354 N HA -0.048 4.692 4.740 -0.001 0.000 0.186 354 N C 1.076 176.708 175.510 0.204 0.000 1.023 354 N CA 1.394 54.553 53.050 0.181 0.000 0.852 354 N CB -0.265 38.430 38.487 0.347 0.000 0.998 354 N HN 0.462 nan 8.380 nan 0.000 0.424 355 A N -0.296 122.545 122.820 0.035 0.000 2.577 355 A HA 0.204 4.524 4.320 -0.001 0.000 0.280 355 A C 1.675 178.839 177.584 -0.700 0.000 1.331 355 A CA -0.267 51.760 52.037 -0.015 0.000 0.935 355 A CB -0.001 18.915 19.000 -0.140 0.000 1.082 355 A HN 0.071 nan 8.150 nan 0.000 0.525 356 K N 0.623 120.646 120.400 -0.627 0.000 2.103 356 K HA -0.012 4.308 4.320 -0.001 0.000 0.204 356 K C -1.184 174.953 176.600 -0.772 0.000 1.052 356 K CA 1.289 57.118 56.287 -0.764 0.000 0.945 356 K CB -0.255 31.921 32.500 -0.540 0.000 0.722 356 K HN 0.341 nan 8.250 nan 0.000 0.443 357 P HA -0.035 nan 4.420 nan 0.000 0.241 357 P C -0.162 176.662 177.300 -0.792 0.000 1.191 357 P CA 0.812 63.460 63.100 -0.754 0.000 0.771 357 P CB 0.163 31.316 31.700 -0.912 0.000 0.929 358 F N -2.271 117.449 119.950 -0.384 0.000 2.647 358 F HA 0.290 4.817 4.527 -0.001 0.000 0.300 358 F C 0.388 176.094 175.800 -0.157 0.000 1.106 358 F CA -0.746 57.105 58.000 -0.249 0.000 1.313 358 F CB -0.183 38.670 39.000 -0.245 0.000 1.007 358 F HN -0.271 nan 8.300 nan 0.000 0.536 359 F N 1.136 121.109 119.950 0.038 0.000 2.420 359 F HA 0.154 4.681 4.527 -0.001 0.000 0.352 359 F C 0.976 176.840 175.800 0.107 0.000 1.108 359 F CA -1.814 56.208 58.000 0.037 0.000 1.162 359 F CB 0.080 39.037 39.000 -0.072 0.000 1.118 359 F HN -0.076 nan 8.300 nan 0.000 0.510 360 D N 3.637 124.217 120.400 0.299 0.000 2.659 360 D HA -0.103 4.536 4.640 -0.001 0.000 0.264 360 D C 1.085 177.462 176.300 0.128 0.000 1.329 360 D CA 0.478 54.588 54.000 0.183 0.000 0.963 360 D CB 0.470 41.357 40.800 0.144 0.000 1.136 360 D HN 0.524 nan 8.370 nan 0.000 0.554 361 K N 0.869 121.283 120.400 0.022 0.000 2.362 361 K HA -0.169 4.150 4.320 -0.001 0.000 0.202 361 K C 1.964 178.488 176.600 -0.126 0.000 1.045 361 K CA 1.110 57.263 56.287 -0.225 0.000 0.936 361 K CB 0.084 32.513 32.500 -0.118 0.000 0.747 361 K HN 0.296 nan 8.250 nan 0.000 0.467 362 S N -0.363 115.326 115.700 -0.019 0.000 2.492 362 S HA 0.088 4.557 4.470 -0.001 0.000 0.218 362 S C 0.756 175.353 174.600 -0.005 0.000 1.016 362 S CA -0.148 58.048 58.200 -0.006 0.000 0.916 362 S CB 0.209 63.414 63.200 0.009 0.000 0.791 362 S HN -0.107 nan 8.310 nan 0.000 0.513 363 K N 3.195 123.616 120.400 0.036 0.000 2.121 363 K HA 0.276 4.596 4.320 -0.001 0.000 0.235 363 K C 0.939 177.566 176.600 0.046 0.000 1.200 363 K CA -0.092 56.223 56.287 0.046 0.000 1.115 363 K CB -0.311 32.236 32.500 0.078 0.000 1.474 363 K HN 0.412 nan 8.250 nan 0.000 0.295 364 E N -0.084 120.080 120.200 -0.061 0.000 2.114 364 E HA -0.195 4.155 4.350 -0.001 0.000 0.199 364 E C 0.398 177.012 176.600 0.024 0.000 1.008 364 E CA 1.709 57.967 56.400 -0.237 0.000 0.810 364 E CB 0.087 29.612 29.700 -0.292 0.000 0.739 364 E HN 0.484 nan 8.360 nan 0.000 0.456 365 S N 0.192 115.933 115.700 0.067 0.000 2.667 365 S HA 0.163 4.633 4.470 -0.001 0.000 0.251 365 S C 1.180 175.835 174.600 0.093 0.000 1.075 365 S CA -0.252 58.014 58.200 0.110 0.000 1.130 365 S CB 0.148 63.397 63.200 0.082 0.000 0.795 365 S HN 0.181 nan 8.310 nan 0.000 0.462 366 L N -0.045 121.241 121.223 0.105 0.000 2.221 366 L HA 0.252 4.591 4.340 -0.001 0.000 0.202 366 L C 1.955 178.801 176.870 -0.041 0.000 1.074 366 L CA 0.435 55.267 54.840 -0.012 0.000 0.795 366 L CB -0.189 41.824 42.059 -0.077 0.000 0.960 366 L HN 0.411 nan 8.230 nan 0.000 0.458 367 L N 0.048 121.330 121.223 0.098 0.000 1.932 367 L HA -0.172 4.167 4.340 -0.001 0.000 0.217 367 L C 2.436 179.333 176.870 0.045 0.000 1.077 367 L CA 2.514 57.372 54.840 0.030 0.000 0.765 367 L CB -0.966 41.181 42.059 0.146 0.000 0.888 367 L HN 0.165 nan 8.230 nan 0.000 0.433 368 V N -0.344 119.666 119.914 0.160 0.000 2.380 368 V HA -0.294 3.825 4.120 -0.001 0.000 0.251 368 V C 2.315 178.481 176.094 0.121 0.000 1.063 368 V CA 1.868 64.287 62.300 0.198 0.000 1.055 368 V CB -1.130 30.834 31.823 0.236 0.000 0.657 368 V HN 0.440 nan 8.190 nan 0.000 0.455 369 D N 0.382 120.835 120.400 0.087 0.000 2.117 369 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 369 D C 2.364 178.700 176.300 0.060 0.000 0.987 369 D CA 1.954 55.996 54.000 0.070 0.000 0.829 369 D CB -0.315 40.518 40.800 0.055 0.000 0.961 369 D HN 0.453 nan 8.370 nan 0.000 0.460 370 T N 0.541 115.103 114.554 0.012 0.000 2.857 370 T HA -0.056 4.293 4.350 -0.001 0.000 0.266 370 T C 1.943 176.658 174.700 0.024 0.000 1.048 370 T CA 0.679 62.784 62.100 0.007 0.000 1.139 370 T CB 0.055 68.880 68.868 -0.073 0.000 0.874 370 T HN 0.072 nan 8.240 nan 0.000 0.455 371 M N 1.822 121.361 119.600 -0.102 0.000 2.099 371 M HA 0.018 4.498 4.480 -0.001 0.000 0.262 371 M C 1.778 178.037 176.300 -0.070 0.000 1.067 371 M CA 1.200 56.364 55.300 -0.227 0.000 1.124 371 M CB -1.402 30.791 32.600 -0.677 0.000 1.353 371 M HN 0.132 nan 8.290 nan 0.000 0.410 372 N N 0.015 118.737 118.700 0.036 0.000 2.588 372 N HA -0.142 4.598 4.740 -0.001 0.000 0.190 372 N C 1.216 176.794 175.510 0.114 0.000 1.094 372 N CA 0.825 53.923 53.050 0.080 0.000 0.921 372 N CB -0.362 38.192 38.487 0.111 0.000 0.959 372 N HN 0.377 nan 8.380 nan 0.000 0.448 373 F N 0.032 119.960 119.950 -0.037 0.000 2.480 373 F HA 0.264 4.791 4.527 -0.001 0.000 0.280 373 F C 1.770 177.551 175.800 -0.031 0.000 1.002 373 F CA 0.041 58.028 58.000 -0.021 0.000 1.325 373 F CB -0.259 38.735 39.000 -0.010 0.000 1.134 373 F HN -0.159 nan 8.300 nan 0.000 0.646 374 L N 0.492 121.722 121.223 0.011 0.000 2.042 374 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 374 L C 2.429 179.199 176.870 -0.167 0.000 1.076 374 L CA 1.425 56.198 54.840 -0.111 0.000 0.749 374 L CB -0.956 41.090 42.059 -0.021 0.000 0.893 374 L HN 0.264 nan 8.230 nan 0.000 0.432 375 L N -0.751 120.376 121.223 -0.159 0.000 1.990 375 L HA -0.278 4.061 4.340 -0.001 0.000 0.213 375 L C 2.839 179.647 176.870 -0.103 0.000 1.072 375 L CA 1.708 56.453 54.840 -0.159 0.000 0.755 375 L CB -0.593 41.349 42.059 -0.195 0.000 0.889 375 L HN 0.243 nan 8.230 nan 0.000 0.432 376 S N -1.117 114.511 115.700 -0.119 0.000 2.440 376 S HA -0.150 4.319 4.470 -0.001 0.000 0.238 376 S C 1.916 176.430 174.600 -0.144 0.000 1.010 376 S CA 1.537 59.672 58.200 -0.108 0.000 0.972 376 S CB -0.106 63.032 63.200 -0.104 0.000 0.774 376 S HN 0.419 nan 8.310 nan 0.000 0.501 377 S N 0.360 115.932 115.700 -0.213 0.000 2.558 377 S HA 0.293 4.763 4.470 -0.001 0.000 0.217 377 S C 0.379 174.923 174.600 -0.093 0.000 0.975 377 S CA -0.267 57.813 58.200 -0.200 0.000 0.912 377 S CB -0.097 62.920 63.200 -0.306 0.000 0.776 377 S HN 0.513 nan 8.310 nan 0.000 0.526 378 L N 2.335 123.527 121.223 -0.053 0.000 2.361 378 L HA 0.541 4.881 4.340 -0.001 0.000 0.278 378 L C -0.260 176.618 176.870 0.013 0.000 1.113 378 L CA -0.208 54.635 54.840 0.005 0.000 0.849 378 L CB 0.530 42.633 42.059 0.073 0.000 1.155 378 L HN 0.182 nan 8.230 nan 0.000 0.452 379 A N 5.127 127.953 122.820 0.010 0.000 2.608 379 A HA 0.551 4.870 4.320 -0.001 0.000 0.292 379 A C -2.404 175.186 177.584 0.011 0.000 1.066 379 A CA -1.008 51.036 52.037 0.012 0.000 0.676 379 A CB 1.117 20.118 19.000 0.002 0.000 1.277 379 A HN 0.512 nan 8.150 nan 0.000 0.413 380 P HA -0.232 nan 4.420 nan 0.000 0.219 380 P C 1.279 178.584 177.300 0.008 0.000 1.153 380 P CA 2.519 65.625 63.100 0.010 0.000 0.865 380 P CB 0.081 31.787 31.700 0.011 0.000 0.788 381 S N -3.599 112.105 115.700 0.006 0.000 2.603 381 S HA 0.072 4.542 4.470 -0.001 0.000 0.220 381 S C 1.256 175.858 174.600 0.003 0.000 0.967 381 S CA 0.835 59.038 58.200 0.005 0.000 0.920 381 S CB -0.654 62.549 63.200 0.005 0.000 0.773 381 S HN 0.149 nan 8.310 nan 0.000 0.529 382 T N 0.928 115.484 114.554 0.002 0.000 2.980 382 T HA 0.267 4.617 4.350 -0.001 0.000 0.252 382 T C 1.599 176.299 174.700 -0.000 0.000 0.962 382 T CA -0.251 61.849 62.100 0.001 0.000 0.932 382 T CB -0.070 68.795 68.868 -0.003 0.000 1.188 382 T HN 0.061 nan 8.240 nan 0.000 0.500 383 M N 1.452 121.054 119.600 0.003 0.000 2.294 383 M HA -0.233 4.246 4.480 -0.001 0.000 0.249 383 M C 1.941 178.240 176.300 -0.002 0.000 1.068 383 M CA 1.898 57.199 55.300 0.003 0.000 1.063 383 M CB -0.842 31.763 32.600 0.009 0.000 1.315 383 M HN 0.237 nan 8.290 nan 0.000 0.417 384 M N -1.581 118.022 119.600 0.005 0.000 2.229 384 M HA -0.038 4.441 4.480 -0.001 0.000 0.264 384 M C 2.155 178.457 176.300 0.003 0.000 1.063 384 M CA 1.804 57.114 55.300 0.016 0.000 1.114 384 M CB -1.429 31.179 32.600 0.013 0.000 1.387 384 M HN 0.387 nan 8.290 nan 0.000 0.420 385 A N -1.700 121.110 122.820 -0.016 0.000 2.035 385 A HA 0.146 4.465 4.320 -0.001 0.000 0.208 385 A C 2.311 179.972 177.584 0.128 0.000 1.206 385 A CA 0.328 52.375 52.037 0.018 0.000 0.773 385 A CB -0.390 18.537 19.000 -0.121 0.000 0.878 385 A HN 0.188 nan 8.150 nan 0.000 0.469 386 V N 0.135 120.070 119.914 0.035 0.000 2.229 386 V HA -0.250 3.870 4.120 -0.001 0.000 0.243 386 V C 2.612 178.671 176.094 -0.057 0.000 1.042 386 V CA 2.108 64.414 62.300 0.010 0.000 1.000 386 V CB -0.562 31.258 31.823 -0.005 0.000 0.637 386 V HN 0.465 nan 8.190 nan 0.000 0.446 387 M N -0.504 119.027 119.600 -0.115 0.000 2.113 387 M HA -0.174 4.306 4.480 -0.001 0.000 0.255 387 M C 0.152 176.241 176.300 -0.351 0.000 1.073 387 M CA 2.402 57.564 55.300 -0.231 0.000 1.091 387 M CB -2.729 29.718 32.600 -0.255 0.000 1.309 387 M HN 0.267 nan 8.290 nan 0.000 0.407 388 P HA -0.081 nan 4.420 nan 0.000 0.216 388 P C 1.915 179.096 177.300 -0.198 0.000 1.153 388 P CA 1.155 64.002 63.100 -0.421 0.000 0.848 388 P CB -0.123 31.415 31.700 -0.270 0.000 0.787 389 I N -0.734 119.751 120.570 -0.141 0.000 2.053 389 I HA -0.290 3.880 4.170 -0.001 0.000 0.236 389 I C 2.230 178.310 176.117 -0.062 0.000 1.038 389 I CA 1.704 62.945 61.300 -0.099 0.000 1.304 389 I CB -1.124 36.869 38.000 -0.012 0.000 1.023 389 I HN -0.191 nan 8.210 nan 0.000 0.395 390 V N 0.749 120.617 119.914 -0.078 0.000 2.311 390 V HA -0.392 3.728 4.120 -0.001 0.000 0.256 390 V C 2.333 178.440 176.094 0.023 0.000 1.077 390 V CA 2.737 64.985 62.300 -0.086 0.000 1.067 390 V CB -1.195 30.494 31.823 -0.223 0.000 0.659 390 V HN 0.553 nan 8.190 nan 0.000 0.451 391 T N -0.565 114.005 114.554 0.027 0.000 3.072 391 T HA -0.050 4.299 4.350 -0.001 0.000 0.266 391 T C 1.467 176.349 174.700 0.304 0.000 1.127 391 T CA 1.343 63.608 62.100 0.275 0.000 1.107 391 T CB -0.123 68.871 68.868 0.210 0.000 0.910 391 T HN 0.744 nan 8.240 nan 0.000 0.513 392 S N -1.103 114.686 115.700 0.150 0.000 2.817 392 S HA 0.299 4.769 4.470 -0.001 0.000 0.262 392 S C 1.130 175.765 174.600 0.058 0.000 1.051 392 S CA -0.406 57.881 58.200 0.147 0.000 1.185 392 S CB 0.406 63.675 63.200 0.114 0.000 1.152 392 S HN 0.213 nan 8.310 nan 0.000 0.653 393 V N 1.109 121.049 119.914 0.043 0.000 3.612 393 V HA 0.422 4.541 4.120 -0.001 0.000 0.268 393 V C -0.042 176.089 176.094 0.061 0.000 1.365 393 V CA 0.239 62.591 62.300 0.086 0.000 1.044 393 V CB 1.016 32.865 31.823 0.044 0.000 0.820 393 V HN 0.373 nan 8.190 nan 0.000 0.444 394 V N 4.129 124.036 119.914 -0.012 0.000 2.498 394 V HA 0.393 4.512 4.120 -0.001 0.000 0.279 394 V C -2.298 173.671 176.094 -0.209 0.000 1.048 394 V CA -1.537 60.710 62.300 -0.090 0.000 0.967 394 V CB 1.275 33.076 31.823 -0.036 0.000 0.988 394 V HN 0.371 nan 8.190 nan 0.000 0.473 395 P HA 0.306 nan 4.420 nan 0.000 0.284 395 P C -1.326 175.692 177.300 -0.471 0.000 1.253 395 P CA -0.568 62.254 63.100 -0.462 0.000 0.800 395 P CB 0.367 31.794 31.700 -0.455 0.000 0.961 396 Y N 1.980 122.141 120.300 -0.232 0.000 2.585 396 Y HA 0.147 4.697 4.550 -0.001 0.000 0.354 396 Y C 1.608 177.322 175.900 -0.310 0.000 1.024 396 Y CA 0.400 58.305 58.100 -0.325 0.000 1.321 396 Y CB -0.519 37.818 38.460 -0.205 0.000 1.151 396 Y HN 0.482 nan 8.280 nan 0.000 0.525 397 H N 1.629 120.410 119.070 -0.483 0.000 2.334 397 H HA 0.121 4.677 4.556 -0.001 0.000 0.315 397 H C -0.486 174.577 175.328 -0.442 0.000 1.056 397 H CA 0.081 55.864 56.048 -0.442 0.000 1.418 397 H CB -0.030 29.447 29.762 -0.474 0.000 1.464 397 H HN 0.539 nan 8.280 nan 0.000 0.587 398 Y N -0.087 120.100 120.300 -0.188 0.000 2.724 398 Y HA -0.216 4.334 4.550 -0.001 0.000 0.048 398 Y C -0.009 175.702 175.900 -0.315 0.000 1.916 398 Y CA 0.267 58.248 58.100 -0.199 0.000 1.248 398 Y CB -2.048 36.344 38.460 -0.115 0.000 1.906 398 Y HN 0.418 nan 8.280 nan 0.000 0.287 399 H N 1.545 120.630 119.070 0.026 0.000 2.896 399 H HA 0.622 5.178 4.556 -0.001 0.000 0.318 399 H C 1.171 176.463 175.328 -0.060 0.000 1.409 399 H CA -0.897 55.112 56.048 -0.066 0.000 1.328 399 H CB 0.962 30.589 29.762 -0.226 0.000 1.940 399 H HN 0.402 nan 8.280 nan 0.000 0.665 400 I N -0.197 120.450 120.570 0.129 0.000 2.353 400 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 400 I C 2.037 178.225 176.117 0.119 0.000 1.119 400 I CA 1.257 62.627 61.300 0.117 0.000 1.417 400 I CB -0.342 37.746 38.000 0.147 0.000 1.078 400 I HN 0.624 nan 8.210 nan 0.000 0.421 401 H N 0.468 119.595 119.070 0.094 0.000 2.430 401 H HA 0.215 4.771 4.556 -0.001 0.000 0.297 401 H C 0.982 176.356 175.328 0.078 0.000 1.016 401 H CA 0.720 56.807 56.048 0.066 0.000 1.294 401 H CB -0.122 29.667 29.762 0.044 0.000 1.465 401 H HN 0.295 nan 8.280 nan 0.000 0.547 402 S N 1.440 116.827 115.700 -0.523 0.000 2.601 402 S HA 0.471 4.940 4.470 -0.001 0.000 0.312 402 S C -0.642 173.911 174.600 -0.079 0.000 1.107 402 S CA -0.923 57.163 58.200 -0.190 0.000 1.129 402 S CB 1.843 64.997 63.200 -0.076 0.000 0.982 402 S HN 0.264 nan 8.310 nan 0.000 0.469 403 K N 2.229 122.602 120.400 -0.044 0.000 2.109 403 K HA 0.472 4.791 4.320 -0.001 0.000 0.243 403 K C 0.913 177.495 176.600 -0.031 0.000 1.006 403 K CA -0.817 55.447 56.287 -0.039 0.000 0.917 403 K CB 0.970 33.493 32.500 0.037 0.000 1.081 403 K HN 0.568 nan 8.250 nan 0.000 0.468 404 I N 1.691 122.166 120.570 -0.158 0.000 2.406 404 I HA -0.146 4.023 4.170 -0.001 0.000 0.249 404 I C 1.892 178.018 176.117 0.014 0.000 1.122 404 I CA 1.007 62.303 61.300 -0.007 0.000 1.431 404 I CB 0.166 38.065 38.000 -0.169 0.000 1.087 404 I HN 0.644 nan 8.210 nan 0.000 0.424 405 I N -1.590 118.833 120.570 -0.246 0.000 3.010 405 I HA -0.220 3.950 4.170 -0.001 0.000 0.271 405 I C 1.368 177.330 176.117 -0.258 0.000 1.293 405 I CA 1.249 62.179 61.300 -0.615 0.000 1.452 405 I CB -0.568 37.010 38.000 -0.704 0.000 1.082 405 I HN 0.097 nan 8.210 nan 0.000 0.484 406 D N 1.145 121.480 120.400 -0.108 0.000 2.221 406 D HA -0.175 4.464 4.640 -0.001 0.000 0.204 406 D C 1.482 177.695 176.300 -0.145 0.000 0.982 406 D CA 1.558 55.466 54.000 -0.154 0.000 0.857 406 D CB -0.223 40.407 40.800 -0.283 0.000 0.934 406 D HN 0.612 nan 8.370 nan 0.000 0.475 407 Y N -1.153 119.267 120.300 0.200 0.000 2.466 407 Y HA 0.182 4.732 4.550 -0.001 0.000 0.272 407 Y C 1.759 178.034 175.900 0.625 0.000 1.169 407 Y CA -0.272 58.033 58.100 0.342 0.000 1.285 407 Y CB -0.198 38.435 38.460 0.289 0.000 1.078 407 Y HN -0.024 nan 8.280 nan 0.000 0.523 408 F N 1.199 121.422 119.950 0.456 0.000 2.069 408 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 408 F C -0.275 175.844 175.800 0.533 0.000 1.113 408 F CA 0.573 58.895 58.000 0.536 0.000 1.214 408 F CB -1.448 37.835 39.000 0.471 0.000 0.978 408 F HN 0.059 nan 8.300 nan 0.000 0.474 409 P HA -0.238 nan 4.420 nan 0.000 0.222 409 P C 1.148 178.674 177.300 0.377 0.000 1.142 409 P CA 1.417 64.749 63.100 0.387 0.000 0.788 409 P CB -0.398 31.451 31.700 0.247 0.000 0.767 410 F N -1.142 118.978 119.950 0.283 0.000 2.387 410 F HA -0.049 4.478 4.527 -0.001 0.000 0.294 410 F C 1.832 177.728 175.800 0.160 0.000 1.093 410 F CA 0.845 58.968 58.000 0.206 0.000 1.420 410 F CB -0.660 38.471 39.000 0.218 0.000 1.086 410 F HN -0.148 nan 8.300 nan 0.000 0.531 411 C N 0.095 119.416 119.300 0.035 0.000 2.466 411 C HA -0.139 4.320 4.460 -0.001 0.000 0.278 411 C C 2.066 176.934 174.990 -0.204 0.000 1.288 411 C CA 0.679 59.557 59.018 -0.233 0.000 1.722 411 C CB -1.632 26.032 27.740 -0.127 0.000 2.017 411 C HN 0.513 nan 8.230 nan 0.000 0.488 412 Y N 0.649 120.972 120.300 0.039 0.000 2.506 412 Y HA 0.018 4.568 4.550 -0.001 0.000 0.335 412 Y C 2.356 178.158 175.900 -0.162 0.000 1.218 412 Y CA 0.603 58.656 58.100 -0.078 0.000 1.260 412 Y CB -0.432 37.947 38.460 -0.135 0.000 1.085 412 Y HN 0.321 nan 8.280 nan 0.000 0.495 413 S N -1.030 114.628 115.700 -0.071 0.000 2.641 413 S HA 0.093 4.562 4.470 -0.001 0.000 0.239 413 S C 1.679 176.198 174.600 -0.136 0.000 1.081 413 S CA 0.100 58.240 58.200 -0.100 0.000 0.904 413 S CB -0.009 63.131 63.200 -0.098 0.000 0.803 413 S HN 0.360 nan 8.310 nan 0.000 0.510 414 I N 0.478 120.908 120.570 -0.233 0.000 2.130 414 I HA 0.000 4.170 4.170 -0.001 0.000 0.232 414 I C 1.072 177.192 176.117 0.005 0.000 1.064 414 I CA 0.211 61.413 61.300 -0.163 0.000 1.338 414 I CB -0.499 37.334 38.000 -0.280 0.000 1.084 414 I HN 0.324 nan 8.210 nan 0.000 0.404 415 W N 2.488 123.667 121.300 -0.200 0.000 2.582 415 W HA -0.190 4.470 4.660 -0.001 0.000 0.336 415 W C 1.830 178.257 176.519 -0.153 0.000 1.152 415 W CA 1.382 58.658 57.345 -0.115 0.000 1.347 415 W CB -0.029 29.301 29.460 -0.216 0.000 1.173 415 W HN 0.544 nan 8.180 nan 0.000 0.575 416 S N -0.193 115.631 115.700 0.205 0.000 2.929 416 S HA -0.281 4.189 4.470 -0.001 0.000 0.271 416 S C 0.942 175.558 174.600 0.027 0.000 1.295 416 S CA 1.518 59.702 58.200 -0.026 0.000 1.277 416 S CB -1.588 61.241 63.200 -0.618 0.000 1.557 416 S HN 0.453 nan 8.310 nan 0.000 0.666 417 S N -0.332 115.407 115.700 0.066 0.000 2.731 417 S HA 0.451 4.920 4.470 -0.001 0.000 0.244 417 S C 0.518 175.158 174.600 0.067 0.000 1.084 417 S CA 0.476 58.703 58.200 0.044 0.000 0.877 417 S CB 0.762 63.969 63.200 0.011 0.000 0.798 417 S HN 0.824 nan 8.310 nan 0.000 0.496 418 V N 3.103 123.073 119.914 0.094 0.000 2.644 418 V HA 0.531 4.651 4.120 -0.001 0.000 0.295 418 V C 0.312 176.489 176.094 0.138 0.000 1.053 418 V CA -1.090 61.269 62.300 0.097 0.000 0.987 418 V CB 1.333 33.209 31.823 0.088 0.000 1.006 418 V HN 0.391 nan 8.190 nan 0.000 0.472 419 S N 1.943 117.709 115.700 0.110 0.000 2.624 419 S HA 0.594 5.063 4.470 -0.001 0.000 0.263 419 S C 0.559 175.248 174.600 0.148 0.000 1.287 419 S CA -0.187 58.084 58.200 0.119 0.000 0.990 419 S CB 0.675 63.923 63.200 0.080 0.000 0.950 419 S HN 1.585 nan 8.310 nan 0.000 0.561 420 A N 1.637 124.560 122.820 0.173 0.000 2.572 420 A HA 0.173 4.493 4.320 -0.001 0.000 0.256 420 A C 0.398 178.072 177.584 0.150 0.000 1.041 420 A CA 0.159 52.349 52.037 0.254 0.000 0.790 420 A CB -1.028 18.170 19.000 0.330 0.000 0.947 420 A HN 0.711 nan 8.150 nan 0.000 0.518 421 N N 2.846 121.633 118.700 0.145 0.000 2.594 421 N HA 0.133 4.873 4.740 -0.001 0.000 0.280 421 N C 0.264 175.790 175.510 0.026 0.000 1.156 421 N CA -0.320 52.766 53.050 0.060 0.000 0.831 421 N CB 1.578 40.101 38.487 0.061 0.000 1.379 421 N HN 0.270 nan 8.380 nan 0.000 0.536 422 V N 3.357 123.254 119.914 -0.028 0.000 2.688 422 V HA -0.163 3.957 4.120 -0.001 0.000 0.256 422 V C 1.944 178.006 176.094 -0.053 0.000 1.084 422 V CA 2.593 64.862 62.300 -0.051 0.000 1.103 422 V CB -0.551 31.225 31.823 -0.078 0.000 0.688 422 V HN 0.728 nan 8.190 nan 0.000 0.480 423 A N -1.010 121.790 122.820 -0.033 0.000 2.121 423 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 423 A C 1.982 179.575 177.584 0.015 0.000 1.154 423 A CA 1.801 53.833 52.037 -0.007 0.000 0.679 423 A CB -0.245 18.764 19.000 0.015 0.000 0.795 423 A HN 0.620 nan 8.150 nan 0.000 0.458 424 I N -2.107 118.451 120.570 -0.019 0.000 3.534 424 I HA 0.017 4.187 4.170 -0.001 0.000 0.251 424 I C 1.580 177.594 176.117 -0.172 0.000 1.136 424 I CA 0.431 61.713 61.300 -0.029 0.000 1.475 424 I CB -0.399 37.580 38.000 -0.034 0.000 1.526 424 I HN 0.070 nan 8.210 nan 0.000 0.454 425 D N 1.367 121.686 120.400 -0.136 0.000 2.154 425 D HA -0.241 4.399 4.640 -0.001 0.000 0.190 425 D C 1.901 178.131 176.300 -0.115 0.000 1.003 425 D CA 2.154 56.066 54.000 -0.146 0.000 0.849 425 D CB -0.580 40.432 40.800 0.354 0.000 0.942 425 D HN 0.141 nan 8.370 nan 0.000 0.446 426 T N -0.204 114.291 114.554 -0.098 0.000 2.792 426 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 426 T C 1.398 175.961 174.700 -0.229 0.000 1.059 426 T CA 1.301 63.298 62.100 -0.172 0.000 1.136 426 T CB -0.249 68.443 68.868 -0.294 0.000 0.846 426 T HN 0.342 nan 8.240 nan 0.000 0.489 427 H N -0.413 118.595 119.070 -0.103 0.000 2.431 427 H HA 0.196 4.752 4.556 -0.001 0.000 0.295 427 H C 2.312 177.512 175.328 -0.213 0.000 1.038 427 H CA 0.764 56.738 56.048 -0.123 0.000 1.360 427 H CB -0.202 29.476 29.762 -0.140 0.000 1.433 427 H HN 0.333 nan 8.280 nan 0.000 0.536 428 M N 0.242 119.585 119.600 -0.427 0.000 2.086 428 M HA -0.147 4.333 4.480 -0.001 0.000 0.261 428 M C 2.116 178.109 176.300 -0.511 0.000 1.067 428 M CA 1.352 56.147 55.300 -0.841 0.000 1.116 428 M CB -1.438 29.788 32.600 -2.289 0.000 1.348 428 M HN 0.229 nan 8.290 nan 0.000 0.407 429 Y N 0.628 120.758 120.300 -0.282 0.000 2.224 429 Y HA -0.237 4.312 4.550 -0.001 0.000 0.289 429 Y C 2.444 178.402 175.900 0.096 0.000 1.146 429 Y CA 1.356 59.487 58.100 0.052 0.000 1.182 429 Y CB -0.480 38.062 38.460 0.137 0.000 0.983 429 Y HN 0.297 nan 8.280 nan 0.000 0.524 430 D N -0.448 120.085 120.400 0.223 0.000 2.219 430 D HA -0.183 4.456 4.640 -0.001 0.000 0.205 430 D C 1.744 178.211 176.300 0.279 0.000 0.970 430 D CA 0.899 55.027 54.000 0.213 0.000 0.851 430 D CB -0.200 40.704 40.800 0.173 0.000 0.943 430 D HN 0.221 nan 8.370 nan 0.000 0.488 431 F N 0.960 120.961 119.950 0.086 0.000 2.084 431 F HA -0.058 4.469 4.527 -0.001 0.000 0.283 431 F C 2.364 178.226 175.800 0.104 0.000 1.141 431 F CA 1.600 59.661 58.000 0.101 0.000 1.146 431 F CB -1.030 37.997 39.000 0.045 0.000 1.035 431 F HN -0.108 nan 8.300 nan 0.000 0.485 432 V N -0.188 119.787 119.914 0.100 0.000 2.909 432 V HA -0.113 4.006 4.120 -0.001 0.000 0.265 432 V C 1.867 178.132 176.094 0.286 0.000 1.128 432 V CA 2.027 64.386 62.300 0.098 0.000 1.149 432 V CB -1.914 29.999 31.823 0.150 0.000 0.725 432 V HN 0.478 nan 8.190 nan 0.000 0.511 433 G N 0.718 109.656 108.800 0.231 0.000 2.497 433 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.210 433 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.210 433 G C 1.690 176.667 174.900 0.127 0.000 1.177 433 G CA 0.872 46.127 45.100 0.258 0.000 0.822 433 G HN 0.799 nan 8.290 nan 0.000 0.550 434 S N 0.190 115.928 115.700 0.064 0.000 2.481 434 S HA 0.125 4.595 4.470 -0.001 0.000 0.231 434 S C 2.185 176.631 174.600 -0.257 0.000 0.996 434 S CA 0.435 58.639 58.200 0.006 0.000 0.942 434 S CB -0.193 63.124 63.200 0.195 0.000 0.768 434 S HN 0.315 nan 8.310 nan 0.000 0.520 435 I N 0.825 121.144 120.570 -0.419 0.000 2.400 435 I HA -0.041 4.129 4.170 -0.001 0.000 0.248 435 I C 2.804 178.819 176.117 -0.169 0.000 1.109 435 I CA 0.780 61.751 61.300 -0.549 0.000 1.425 435 I CB -0.434 37.232 38.000 -0.556 0.000 1.094 435 I HN 0.325 nan 8.210 nan 0.000 0.425 436 S N 0.583 116.272 115.700 -0.018 0.000 2.382 436 S HA -0.211 4.258 4.470 -0.001 0.000 0.228 436 S C 2.071 176.684 174.600 0.022 0.000 1.027 436 S CA 1.427 59.675 58.200 0.079 0.000 0.991 436 S CB -0.132 63.197 63.200 0.216 0.000 0.823 436 S HN 0.252 nan 8.310 nan 0.000 0.469 437 K N 0.578 120.887 120.400 -0.152 0.000 2.063 437 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 437 K C 1.771 178.176 176.600 -0.324 0.000 1.048 437 K CA 1.791 57.732 56.287 -0.577 0.000 0.928 437 K CB -0.303 31.882 32.500 -0.525 0.000 0.713 437 K HN 0.273 nan 8.250 nan 0.000 0.442 438 D N 0.003 120.301 120.400 -0.169 0.000 2.081 438 D HA -0.153 4.487 4.640 -0.001 0.000 0.194 438 D C 1.889 178.150 176.300 -0.065 0.000 0.986 438 D CA 1.572 55.526 54.000 -0.077 0.000 0.837 438 D CB -0.216 40.580 40.800 -0.007 0.000 0.985 438 D HN -0.034 nan 8.370 nan 0.000 0.448 439 V N 0.111 119.987 119.914 -0.063 0.000 2.277 439 V HA -0.357 3.763 4.120 -0.001 0.000 0.255 439 V C 2.364 178.377 176.094 -0.134 0.000 1.074 439 V CA 2.601 64.821 62.300 -0.133 0.000 1.058 439 V CB -0.926 30.871 31.823 -0.044 0.000 0.656 439 V HN 0.438 nan 8.190 nan 0.000 0.449 440 H N 0.480 119.442 119.070 -0.180 0.000 2.270 440 H HA -0.162 4.394 4.556 -0.001 0.000 0.299 440 H C 2.285 177.524 175.328 -0.149 0.000 1.077 440 H CA 2.259 58.160 56.048 -0.246 0.000 1.294 440 H CB -0.161 29.523 29.762 -0.130 0.000 1.371 440 H HN 0.394 nan 8.280 nan 0.000 0.491 441 N N 0.553 119.258 118.700 0.008 0.000 2.091 441 N HA -0.162 4.578 4.740 -0.001 0.000 0.193 441 N C 1.717 177.210 175.510 -0.028 0.000 1.021 441 N CA 1.660 54.737 53.050 0.046 0.000 0.862 441 N CB -0.199 38.268 38.487 -0.033 0.000 1.018 441 N HN 0.500 nan 8.380 nan 0.000 0.429 442 K N 0.334 120.681 120.400 -0.088 0.000 2.076 442 K HA 0.111 4.431 4.320 -0.001 0.000 0.204 442 K C 2.137 178.670 176.600 -0.111 0.000 1.051 442 K CA 0.409 56.639 56.287 -0.094 0.000 0.949 442 K CB -0.112 32.321 32.500 -0.111 0.000 0.726 442 K HN 0.113 nan 8.250 nan 0.000 0.443 443 I N 1.696 122.160 120.570 -0.176 0.000 2.236 443 I HA -0.259 3.911 4.170 -0.001 0.000 0.249 443 I C 0.905 176.928 176.117 -0.156 0.000 1.102 443 I CA 1.009 62.198 61.300 -0.185 0.000 1.365 443 I CB -0.175 37.631 38.000 -0.324 0.000 1.051 443 I HN 0.088 nan 8.210 nan 0.000 0.420 444 L N -0.268 120.835 121.223 -0.200 0.000 2.371 444 L HA 0.093 4.432 4.340 -0.001 0.000 0.272 444 L C 1.562 178.379 176.870 -0.087 0.000 1.124 444 L CA 0.144 54.881 54.840 -0.172 0.000 0.816 444 L CB 1.331 43.247 42.059 -0.239 0.000 1.129 444 L HN 0.186 nan 8.230 nan 0.000 0.448 445 S N 1.627 117.288 115.700 -0.066 0.000 4.067 445 S HA -0.319 4.151 4.470 -0.001 0.000 0.505 445 S C 1.363 175.953 174.600 -0.017 0.000 1.684 445 S CA 1.917 60.089 58.200 -0.046 0.000 4.003 445 S CB -1.189 61.954 63.200 -0.096 0.000 1.163 445 S HN 0.891 nan 8.310 nan 0.000 0.458 446 S N 3.623 119.297 115.700 -0.044 0.000 2.299 446 S HA -0.005 4.465 4.470 -0.001 0.000 0.237 446 S C 0.586 175.116 174.600 -0.118 0.000 1.437 446 S CA 0.888 59.048 58.200 -0.066 0.000 2.272 446 S CB -0.433 62.732 63.200 -0.058 0.000 0.360 446 S HN 0.985 nan 8.310 nan 0.000 0.351 447 E N 2.674 122.787 120.200 -0.146 0.000 2.035 447 E HA 0.144 4.493 4.350 -0.001 0.000 0.271 447 E C -1.177 175.289 176.600 -0.224 0.000 0.953 447 E CA -0.706 55.543 56.400 -0.251 0.000 0.777 447 E CB -0.398 29.196 29.700 -0.176 0.000 1.104 447 E HN 0.741 nan 8.360 nan 0.000 0.408 448 H N 2.765 121.782 119.070 -0.089 0.000 3.792 448 H HA 0.167 4.722 4.556 -0.001 0.000 0.229 448 H C 0.427 175.694 175.328 -0.102 0.000 1.632 448 H CA 0.349 56.331 56.048 -0.110 0.000 1.522 448 H CB -0.236 29.459 29.762 -0.112 0.000 1.822 448 H HN 0.756 nan 8.280 nan 0.000 0.672 449 E N -0.291 119.862 120.200 -0.078 0.000 3.016 449 E HA 0.079 4.429 4.350 -0.001 0.000 0.275 449 E C -0.219 176.334 176.600 -0.078 0.000 1.124 449 E CA -0.861 55.495 56.400 -0.074 0.000 1.928 449 E CB -0.043 29.609 29.700 -0.081 0.000 2.292 449 E HN 0.036 nan 8.360 nan 0.000 1.055 450 K N 1.311 121.680 120.400 -0.053 0.000 3.167 450 K HA -0.211 4.108 4.320 -0.001 0.000 0.272 450 K C -0.217 176.393 176.600 0.017 0.000 1.137 450 K CA 1.538 57.818 56.287 -0.012 0.000 0.800 450 K CB -1.628 30.888 32.500 0.027 0.000 1.253 450 K HN 0.791 nan 8.250 nan 0.000 0.497 451 D N -2.148 118.259 120.400 0.011 0.000 2.139 451 D HA -0.185 4.454 4.640 -0.001 0.000 0.166 451 D C -0.592 175.733 176.300 0.042 0.000 1.145 451 D CA 1.730 55.758 54.000 0.046 0.000 1.097 451 D CB -0.476 40.393 40.800 0.115 0.000 1.164 451 D HN 0.191 nan 8.370 nan 0.000 0.513 452 V N 0.725 120.649 119.914 0.016 0.000 2.559 452 V HA 0.408 4.528 4.120 -0.001 0.000 0.289 452 V C 1.215 177.265 176.094 -0.073 0.000 1.036 452 V CA -0.391 61.906 62.300 -0.004 0.000 0.887 452 V CB 1.529 33.372 31.823 0.033 0.000 1.022 452 V HN 0.100 nan 8.190 nan 0.000 0.442 453 V N 0.547 120.433 119.914 -0.047 0.000 3.563 453 V HA 0.232 4.351 4.120 -0.001 0.000 0.299 453 V C 1.685 177.752 176.094 -0.046 0.000 1.290 453 V CA 0.979 63.244 62.300 -0.059 0.000 1.201 453 V CB -0.340 31.476 31.823 -0.012 0.000 1.045 453 V HN 0.910 nan 8.190 nan 0.000 0.425 454 G N 1.037 109.816 108.800 -0.034 0.000 3.424 454 G HA2 0.335 4.295 3.960 -0.001 0.000 0.263 454 G HA3 0.335 4.295 3.960 -0.001 0.000 0.263 454 G C 0.329 175.216 174.900 -0.022 0.000 1.310 454 G CA 0.347 45.439 45.100 -0.014 0.000 1.089 454 G HN 0.611 nan 8.290 nan 0.000 0.534 455 V N -0.585 119.295 119.914 -0.055 0.000 2.325 455 V HA 0.500 4.620 4.120 -0.001 0.000 0.280 455 V C -0.272 175.814 176.094 -0.013 0.000 1.016 455 V CA -1.572 60.695 62.300 -0.054 0.000 0.818 455 V CB 0.724 32.463 31.823 -0.141 0.000 1.019 455 V HN 0.471 nan 8.190 nan 0.000 0.434 456 E N 3.255 123.466 120.200 0.018 0.000 2.343 456 E HA 0.451 4.801 4.350 -0.001 0.000 0.269 456 E C -0.336 176.346 176.600 0.135 0.000 1.047 456 E CA -0.623 55.813 56.400 0.060 0.000 0.874 456 E CB 1.499 31.222 29.700 0.038 0.000 1.033 456 E HN 0.405 nan 8.360 nan 0.000 0.409 457 F N 2.007 121.939 119.950 -0.030 0.000 2.183 457 F HA 0.331 4.857 4.527 -0.001 0.000 0.270 457 F C 1.297 177.108 175.800 0.020 0.000 1.251 457 F CA 1.778 59.776 58.000 -0.003 0.000 1.078 457 F CB -0.471 38.532 39.000 0.005 0.000 0.998 457 F HN 0.874 nan 8.300 nan 0.000 0.526 458 G N 0.381 109.255 108.800 0.123 0.000 2.814 458 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.677 458 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.677 458 G C 0.549 175.376 174.900 -0.121 0.000 1.429 458 G CA -0.013 45.086 45.100 -0.003 0.000 0.868 458 G HN 0.559 nan 8.290 nan 0.000 0.553 459 E N -0.640 119.447 120.200 -0.188 0.000 2.689 459 E HA -0.315 4.034 4.350 -0.001 0.000 0.247 459 E C 0.798 177.172 176.600 -0.376 0.000 1.031 459 E CA 2.731 58.876 56.400 -0.426 0.000 1.400 459 E CB -0.213 28.994 29.700 -0.821 0.000 1.296 459 E HN 0.500 nan 8.360 nan 0.000 0.475 460 F N 0.297 120.311 119.950 0.106 0.000 2.366 460 F HA 0.373 4.900 4.527 -0.001 0.000 0.357 460 F C 1.228 177.043 175.800 0.026 0.000 1.107 460 F CA -0.454 57.659 58.000 0.188 0.000 1.208 460 F CB 1.148 40.339 39.000 0.318 0.000 1.464 460 F HN 0.227 nan 8.300 nan 0.000 0.501 461 G N 3.065 111.721 108.800 -0.240 0.000 2.648 461 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.357 461 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.357 461 G C 0.972 175.442 174.900 -0.716 0.000 1.342 461 G CA 0.692 45.213 45.100 -0.965 0.000 0.978 461 G HN 0.852 nan 8.290 nan 0.000 0.532 462 I N -1.650 118.577 120.570 -0.572 0.000 3.749 462 I HA 0.507 4.677 4.170 -0.001 0.000 0.314 462 I C 0.107 176.071 176.117 -0.255 0.000 1.267 462 I CA -0.355 60.732 61.300 -0.355 0.000 1.169 462 I CB -0.442 37.375 38.000 -0.305 0.000 1.009 462 I HN 0.104 nan 8.210 nan 0.000 0.444 463 F N 1.550 121.584 119.950 0.140 0.000 2.399 463 F HA 0.421 4.947 4.527 -0.001 0.000 0.334 463 F C 1.351 177.249 175.800 0.163 0.000 1.097 463 F CA -0.839 57.271 58.000 0.183 0.000 1.076 463 F CB 1.192 40.292 39.000 0.168 0.000 1.162 463 F HN -0.107 nan 8.300 nan 0.000 0.495 464 T N 0.170 114.893 114.554 0.282 0.000 2.616 464 T HA -0.120 4.230 4.350 -0.001 0.000 0.327 464 T C 1.085 175.945 174.700 0.265 0.000 1.049 464 T CA -0.330 61.886 62.100 0.193 0.000 1.022 464 T CB 0.503 69.414 68.868 0.072 0.000 1.009 464 T HN 0.653 nan 8.240 nan 0.000 0.535 465 D N 0.305 120.851 120.400 0.243 0.000 2.123 465 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 465 D C 1.324 177.658 176.300 0.056 0.000 0.976 465 D CA 1.270 55.438 54.000 0.280 0.000 0.831 465 D CB -0.087 40.870 40.800 0.262 0.000 0.974 465 D HN 0.584 nan 8.370 nan 0.000 0.469 466 D N -0.170 120.247 120.400 0.028 0.000 2.249 466 D HA -0.054 4.585 4.640 -0.001 0.000 0.205 466 D C 2.068 178.324 176.300 -0.074 0.000 0.962 466 D CA 0.391 54.376 54.000 -0.024 0.000 0.860 466 D CB -0.113 40.672 40.800 -0.025 0.000 0.955 466 D HN 0.239 nan 8.370 nan 0.000 0.505 467 Q N -0.343 119.378 119.800 -0.132 0.000 2.079 467 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 467 Q C 1.865 177.763 176.000 -0.169 0.000 0.974 467 Q CA 0.961 56.582 55.803 -0.303 0.000 0.840 467 Q CB -0.064 28.442 28.738 -0.386 0.000 0.898 467 Q HN 0.220 nan 8.270 nan 0.000 0.430 468 M N -0.002 119.511 119.600 -0.145 0.000 2.077 468 M HA -0.126 4.354 4.480 -0.001 0.000 0.261 468 M C 2.065 178.307 176.300 -0.096 0.000 1.070 468 M CA 1.772 56.938 55.300 -0.223 0.000 1.125 468 M CB -0.709 31.626 32.600 -0.441 0.000 1.339 468 M HN 0.025 nan 8.290 nan 0.000 0.409 469 T N 0.379 114.838 114.554 -0.159 0.000 2.649 469 T HA -0.237 4.112 4.350 -0.001 0.000 0.268 469 T C 1.520 176.225 174.700 0.007 0.000 1.036 469 T CA 2.119 64.169 62.100 -0.082 0.000 1.157 469 T CB -0.657 68.162 68.868 -0.080 0.000 0.861 469 T HN 0.494 nan 8.240 nan 0.000 0.445 470 F N 1.220 121.084 119.950 -0.144 0.000 2.102 470 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 470 F C 2.179 177.840 175.800 -0.233 0.000 1.105 470 F CA 1.403 59.291 58.000 -0.186 0.000 1.239 470 F CB -0.412 38.458 39.000 -0.216 0.000 0.991 470 F HN 0.109 nan 8.300 nan 0.000 0.474 471 M N -1.139 118.252 119.600 -0.350 0.000 2.296 471 M HA -0.140 4.339 4.480 -0.001 0.000 0.265 471 M C 2.003 178.258 176.300 -0.074 0.000 1.064 471 M CA 1.451 56.496 55.300 -0.424 0.000 1.109 471 M CB -0.688 31.657 32.600 -0.424 0.000 1.396 471 M HN 0.158 nan 8.290 nan 0.000 0.430 472 F N 0.844 120.770 119.950 -0.041 0.000 2.060 472 F HA -0.152 4.375 4.527 -0.001 0.000 0.295 472 F C 1.460 177.101 175.800 -0.264 0.000 1.120 472 F CA 1.117 59.071 58.000 -0.077 0.000 1.205 472 F CB -0.287 38.632 39.000 -0.134 0.000 0.986 472 F HN 0.155 nan 8.300 nan 0.000 0.470 473 N N 0.028 118.661 118.700 -0.112 0.000 2.739 473 N HA 0.193 4.933 4.740 -0.001 0.000 0.266 473 N C 0.435 175.675 175.510 -0.451 0.000 1.168 473 N CA 0.193 53.099 53.050 -0.240 0.000 1.055 473 N CB 0.224 38.606 38.487 -0.174 0.000 1.393 473 N HN 0.189 nan 8.380 nan 0.000 0.514 474 R N 1.953 122.165 120.500 -0.479 0.000 1.660 474 R HA -0.009 4.331 4.340 -0.001 0.000 0.029 474 R C 0.571 176.395 176.300 -0.793 0.000 0.821 474 R CA 0.309 56.019 56.100 -0.650 0.000 3.494 474 R CB -1.210 28.570 30.300 -0.866 0.000 0.778 474 R HN 0.316 nan 8.270 nan 0.000 0.576 475 L N 2.093 123.013 121.223 -0.506 0.000 2.109 475 L HA 0.059 4.399 4.340 -0.001 0.000 0.207 475 L C 2.145 178.748 176.870 -0.446 0.000 1.086 475 L CA 2.610 57.170 54.840 -0.467 0.000 0.760 475 L CB -0.352 41.385 42.059 -0.537 0.000 0.910 475 L HN 0.518 nan 8.230 nan 0.000 0.437 476 Q N -0.780 118.787 119.800 -0.389 0.000 2.119 476 Q HA -0.017 4.322 4.340 -0.001 0.000 0.201 476 Q C 2.088 177.918 176.000 -0.284 0.000 0.972 476 Q CA 1.838 57.438 55.803 -0.339 0.000 0.847 476 Q CB -1.521 27.056 28.738 -0.269 0.000 0.903 476 Q HN 0.319 nan 8.270 nan 0.000 0.433 477 G N 0.164 108.797 108.800 -0.278 0.000 2.442 477 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 477 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 477 G C 1.073 175.955 174.900 -0.031 0.000 1.141 477 G CA 1.115 46.112 45.100 -0.172 0.000 0.763 477 G HN 0.446 nan 8.290 nan 0.000 0.554 478 H N 0.059 119.073 119.070 -0.094 0.000 2.395 478 H HA 0.138 4.694 4.556 -0.001 0.000 0.299 478 H C 2.538 177.857 175.328 -0.015 0.000 1.070 478 H CA 0.648 56.669 56.048 -0.044 0.000 1.356 478 H CB -0.252 29.481 29.762 -0.049 0.000 1.401 478 H HN 0.317 nan 8.280 nan 0.000 0.524 479 L N -0.507 120.707 121.223 -0.016 0.000 2.529 479 L HA 0.126 4.466 4.340 -0.001 0.000 0.223 479 L C 1.894 178.679 176.870 -0.142 0.000 1.113 479 L CA 0.446 55.243 54.840 -0.072 0.000 0.861 479 L CB 0.226 42.098 42.059 -0.312 0.000 1.012 479 L HN 0.053 nan 8.230 nan 0.000 0.461 480 R N -1.910 118.480 120.500 -0.184 0.000 2.369 480 R HA 0.177 4.517 4.340 -0.001 0.000 0.210 480 R C 1.215 177.583 176.300 0.113 0.000 0.881 480 R CA 0.503 56.391 56.100 -0.355 0.000 1.031 480 R CB 0.771 30.714 30.300 -0.595 0.000 1.184 480 R HN 0.120 nan 8.270 nan 0.000 0.581 481 T N -0.304 114.387 114.554 0.229 0.000 3.358 481 T HA -0.033 4.317 4.350 -0.001 0.000 0.263 481 T C 0.332 175.129 174.700 0.161 0.000 0.998 481 T CA 0.481 62.749 62.100 0.281 0.000 1.130 481 T CB 0.325 69.258 68.868 0.109 0.000 1.165 481 T HN 0.274 nan 8.240 nan 0.000 0.426 482 D N 0.645 121.075 120.400 0.049 0.000 2.433 482 D HA 0.328 4.968 4.640 -0.001 0.000 0.211 482 D C 1.422 177.623 176.300 -0.165 0.000 1.114 482 D CA 0.304 54.252 54.000 -0.088 0.000 0.837 482 D CB -0.467 40.353 40.800 0.035 0.000 0.984 482 D HN 0.411 nan 8.370 nan 0.000 0.505 483 G N 0.863 109.610 108.800 -0.089 0.000 2.473 483 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.307 483 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.307 483 G C 0.164 175.005 174.900 -0.099 0.000 0.937 483 G CA 0.470 45.552 45.100 -0.029 0.000 0.947 483 G HN 0.429 nan 8.290 nan 0.000 0.513 484 Q N -0.435 119.231 119.800 -0.224 0.000 2.810 484 Q HA 0.674 5.014 4.340 -0.001 0.000 0.236 484 Q C 0.133 175.825 176.000 -0.514 0.000 1.278 484 Q CA -0.037 55.567 55.803 -0.331 0.000 1.065 484 Q CB 0.127 28.713 28.738 -0.254 0.000 1.364 484 Q HN 0.547 nan 8.270 nan 0.000 0.570 485 I N 1.952 122.328 120.570 -0.323 0.000 2.752 485 I HA 0.396 4.565 4.170 -0.001 0.000 0.295 485 I C -0.630 175.252 176.117 -0.393 0.000 1.219 485 I CA -1.101 59.957 61.300 -0.403 0.000 1.030 485 I CB 2.057 39.739 38.000 -0.529 0.000 1.259 485 I HN 0.492 nan 8.210 nan 0.000 0.423 486 H N 2.759 121.527 119.070 -0.503 0.000 2.908 486 H HA 0.406 4.962 4.556 -0.001 0.000 0.350 486 H C -0.409 174.684 175.328 -0.391 0.000 1.217 486 H CA -0.983 54.789 56.048 -0.460 0.000 1.168 486 H CB 1.367 30.996 29.762 -0.221 0.000 1.891 486 H HN 0.517 nan 8.280 nan 0.000 0.566 487 S N 0.655 116.177 115.700 -0.296 0.000 4.607 487 S HA -0.221 4.249 4.470 -0.001 0.000 0.553 487 S C 0.277 174.784 174.600 -0.155 0.000 0.985 487 S CA 0.457 58.581 58.200 -0.127 0.000 1.016 487 S CB -0.925 62.250 63.200 -0.042 0.000 1.258 487 S HN 0.510 nan 8.310 nan 0.000 0.434 488 Y N 2.986 123.270 120.300 -0.027 0.000 2.509 488 Y HA -0.092 4.458 4.550 -0.001 0.000 0.293 488 Y C 2.552 178.444 175.900 -0.013 0.000 1.133 488 Y CA 0.898 58.989 58.100 -0.014 0.000 1.283 488 Y CB -0.654 37.818 38.460 0.020 0.000 1.001 488 Y HN 0.813 nan 8.280 nan 0.000 0.555 489 S N 0.473 116.246 115.700 0.122 0.000 2.392 489 S HA -0.336 4.133 4.470 -0.001 0.000 0.232 489 S C 1.998 176.637 174.600 0.065 0.000 1.041 489 S CA 1.713 59.950 58.200 0.061 0.000 1.026 489 S CB -0.493 62.733 63.200 0.044 0.000 0.845 489 S HN 0.532 nan 8.310 nan 0.000 0.465 490 R N 1.164 121.687 120.500 0.038 0.000 2.093 490 R HA 0.010 4.349 4.340 -0.001 0.000 0.224 490 R C 1.772 178.130 176.300 0.098 0.000 1.101 490 R CA 1.533 57.661 56.100 0.048 0.000 0.979 490 R CB -0.503 29.779 30.300 -0.029 0.000 0.877 490 R HN 0.456 nan 8.270 nan 0.000 0.441 491 T N -0.357 114.220 114.554 0.038 0.000 3.055 491 T HA 0.010 4.360 4.350 -0.001 0.000 0.265 491 T C 1.529 176.334 174.700 0.174 0.000 1.111 491 T CA 0.634 62.702 62.100 -0.053 0.000 1.118 491 T CB 0.337 69.044 68.868 -0.267 0.000 0.909 491 T HN 0.004 nan 8.240 nan 0.000 0.501 492 V N 0.747 120.810 119.914 0.250 0.000 2.878 492 V HA 0.024 4.144 4.120 -0.001 0.000 0.250 492 V C 2.409 178.734 176.094 0.385 0.000 1.075 492 V CA 0.918 63.441 62.300 0.370 0.000 1.096 492 V CB -0.206 31.729 31.823 0.186 0.000 0.724 492 V HN 0.368 nan 8.190 nan 0.000 0.467 493 K N 0.320 120.890 120.400 0.283 0.000 2.015 493 K HA -0.247 4.073 4.320 -0.001 0.000 0.220 493 K C -0.117 176.705 176.600 0.370 0.000 1.055 493 K CA 2.552 59.023 56.287 0.308 0.000 0.951 493 K CB -1.455 31.227 32.500 0.304 0.000 0.725 493 K HN 0.389 nan 8.250 nan 0.000 0.449 494 P HA -0.188 nan 4.420 nan 0.000 0.217 494 P C 1.010 178.428 177.300 0.197 0.000 1.151 494 P CA 1.585 64.863 63.100 0.296 0.000 0.849 494 P CB -0.073 31.648 31.700 0.036 0.000 0.787 495 F N -1.593 118.552 119.950 0.324 0.000 2.187 495 F HA -0.101 4.425 4.527 -0.001 0.000 0.295 495 F C 2.386 178.447 175.800 0.436 0.000 1.091 495 F CA 0.806 59.053 58.000 0.411 0.000 1.308 495 F CB -1.373 37.845 39.000 0.364 0.000 1.030 495 F HN -0.286 nan 8.300 nan 0.000 0.487 496 V N -1.227 118.886 119.914 0.332 0.000 2.261 496 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 496 V C 1.136 177.135 176.094 -0.159 0.000 1.047 496 V CA 1.632 63.879 62.300 -0.089 0.000 1.015 496 V CB -0.761 30.741 31.823 -0.535 0.000 0.642 496 V HN 0.329 nan 8.190 nan 0.000 0.446 497 Y N -0.354 120.036 120.300 0.149 0.000 2.627 497 Y HA 0.465 5.014 4.550 -0.001 0.000 0.339 497 Y C 1.326 177.405 175.900 0.298 0.000 1.137 497 Y CA 0.284 58.479 58.100 0.159 0.000 1.361 497 Y CB -0.151 38.366 38.460 0.096 0.000 1.180 497 Y HN 0.192 nan 8.280 nan 0.000 0.512 498 A N -0.514 122.499 122.820 0.322 0.000 2.551 498 A HA 0.320 4.640 4.320 -0.001 0.000 0.252 498 A C 0.291 177.871 177.584 -0.006 0.000 1.199 498 A CA -0.270 51.898 52.037 0.218 0.000 0.972 498 A CB 0.067 19.388 19.000 0.535 0.000 1.153 498 A HN 0.331 nan 8.150 nan 0.000 0.559 499 I N 1.628 122.158 120.570 -0.066 0.000 2.529 499 I HA 0.124 4.294 4.170 -0.001 0.000 0.284 499 I C -0.182 176.050 176.117 0.192 0.000 1.082 499 I CA -0.273 60.938 61.300 -0.148 0.000 1.406 499 I CB 0.730 38.691 38.000 -0.065 0.000 1.405 499 I HN 0.148 nan 8.210 nan 0.000 0.548 500 N N 4.547 123.341 118.700 0.157 0.000 2.524 500 N HA 0.229 4.969 4.740 -0.001 0.000 0.261 500 N C 0.791 176.385 175.510 0.140 0.000 0.998 500 N CA -0.274 52.921 53.050 0.242 0.000 0.915 500 N CB 1.920 40.542 38.487 0.224 0.000 1.187 500 N HN 0.741 nan 8.380 nan 0.000 0.507 501 G N 1.577 110.454 108.800 0.128 0.000 2.517 501 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.222 501 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.222 501 G C 0.917 175.843 174.900 0.045 0.000 1.109 501 G CA 1.459 46.601 45.100 0.071 0.000 0.746 501 G HN 0.614 nan 8.290 nan 0.000 0.576 502 S N -1.708 114.022 115.700 0.051 0.000 2.523 502 S HA 0.334 4.804 4.470 -0.001 0.000 0.217 502 S C 0.910 175.525 174.600 0.024 0.000 0.996 502 S CA -0.177 58.043 58.200 0.033 0.000 0.921 502 S CB 0.615 63.832 63.200 0.028 0.000 0.829 502 S HN 0.271 nan 8.310 nan 0.000 0.495 503 K N 1.593 122.011 120.400 0.031 0.000 3.278 503 K HA 0.229 4.549 4.320 -0.001 0.000 0.200 503 K C 0.399 177.016 176.600 0.027 0.000 1.107 503 K CA -0.176 56.116 56.287 0.008 0.000 0.923 503 K CB 0.656 33.147 32.500 -0.016 0.000 0.787 503 K HN 0.366 nan 8.250 nan 0.000 0.481 504 K N 0.010 120.435 120.400 0.041 0.000 2.004 504 K HA -0.001 4.319 4.320 -0.001 0.000 0.217 504 K C 0.580 177.300 176.600 0.200 0.000 1.026 504 K CA 0.680 57.038 56.287 0.118 0.000 0.979 504 K CB -0.183 32.239 32.500 -0.131 0.000 0.818 504 K HN -0.103 nan 8.250 nan 0.000 0.447 505 D N 0.264 120.720 120.400 0.093 0.000 4.318 505 D HA -0.310 4.329 4.640 -0.001 0.000 0.353 505 D C 1.699 178.142 176.300 0.238 0.000 0.570 505 D CA 2.394 56.469 54.000 0.125 0.000 1.451 505 D CB -0.870 39.960 40.800 0.050 0.000 0.777 505 D HN 0.335 nan 8.370 nan 0.000 0.370 506 R N 0.158 120.776 120.500 0.198 0.000 2.211 506 R HA -0.113 4.227 4.340 -0.001 0.000 0.240 506 R C 2.366 178.963 176.300 0.495 0.000 1.144 506 R CA 1.123 57.374 56.100 0.251 0.000 0.992 506 R CB -0.635 29.733 30.300 0.112 0.000 0.869 506 R HN 0.488 nan 8.270 nan 0.000 0.462 507 F N -0.164 120.060 119.950 0.456 0.000 2.164 507 F HA -0.059 4.467 4.527 -0.001 0.000 0.287 507 F C 1.802 177.844 175.800 0.403 0.000 1.086 507 F CA 0.803 59.147 58.000 0.573 0.000 1.249 507 F CB -0.378 39.035 39.000 0.687 0.000 1.059 507 F HN -0.225 nan 8.300 nan 0.000 0.490 508 F N 1.684 121.905 119.950 0.452 0.000 2.236 508 F HA -0.192 4.334 4.527 -0.001 0.000 0.302 508 F C 2.426 178.233 175.800 0.012 0.000 1.073 508 F CA 1.753 59.892 58.000 0.232 0.000 1.336 508 F CB -1.057 38.117 39.000 0.291 0.000 1.040 508 F HN 0.162 nan 8.300 nan 0.000 0.507 509 E N -0.204 120.105 120.200 0.182 0.000 2.153 509 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 509 E C 2.100 178.605 176.600 -0.159 0.000 0.988 509 E CA 1.086 57.502 56.400 0.025 0.000 0.811 509 E CB -0.012 29.718 29.700 0.050 0.000 0.746 509 E HN 0.333 nan 8.360 nan 0.000 0.466 510 K N -0.045 120.154 120.400 -0.334 0.000 2.243 510 K HA 0.043 4.363 4.320 -0.001 0.000 0.201 510 K C 2.032 178.121 176.600 -0.851 0.000 1.051 510 K CA 0.177 56.015 56.287 -0.748 0.000 0.970 510 K CB 0.168 31.931 32.500 -1.228 0.000 0.755 510 K HN 0.150 nan 8.250 nan 0.000 0.465 511 L N 0.586 121.442 121.223 -0.611 0.000 2.131 511 L HA -0.107 4.233 4.340 -0.001 0.000 0.206 511 L C 2.028 178.720 176.870 -0.297 0.000 1.087 511 L CA 0.800 55.429 54.840 -0.351 0.000 0.767 511 L CB -0.019 41.811 42.059 -0.381 0.000 0.917 511 L HN -0.011 nan 8.230 nan 0.000 0.441 512 V N 0.146 119.914 119.914 -0.242 0.000 2.295 512 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 512 V C 2.679 178.655 176.094 -0.197 0.000 1.049 512 V CA 2.095 64.279 62.300 -0.193 0.000 1.024 512 V CB -0.251 31.516 31.823 -0.093 0.000 0.648 512 V HN 0.662 nan 8.190 nan 0.000 0.447 513 S N -0.340 115.240 115.700 -0.200 0.000 2.447 513 S HA -0.085 4.385 4.470 -0.001 0.000 0.233 513 S C 1.950 176.435 174.600 -0.192 0.000 1.006 513 S CA 0.996 59.088 58.200 -0.180 0.000 0.957 513 S CB -0.331 62.763 63.200 -0.177 0.000 0.773 513 S HN 0.471 nan 8.310 nan 0.000 0.507 514 L N 1.090 122.184 121.223 -0.215 0.000 2.240 514 L HA 0.187 4.527 4.340 -0.001 0.000 0.211 514 L C 2.481 179.209 176.870 -0.238 0.000 1.106 514 L CA 1.489 56.210 54.840 -0.198 0.000 0.793 514 L CB -1.134 40.865 42.059 -0.099 0.000 0.927 514 L HN 0.442 nan 8.230 nan 0.000 0.446 515 A N -0.311 122.349 122.820 -0.268 0.000 1.970 515 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 515 A C 1.987 179.456 177.584 -0.193 0.000 1.170 515 A CA 0.835 52.699 52.037 -0.290 0.000 0.645 515 A CB -0.189 18.550 19.000 -0.435 0.000 0.816 515 A HN 0.232 nan 8.150 nan 0.000 0.447 516 K N 0.280 120.582 120.400 -0.164 0.000 2.288 516 K HA 0.217 4.536 4.320 -0.001 0.000 0.201 516 K C 1.927 178.473 176.600 -0.090 0.000 1.048 516 K CA 1.029 57.251 56.287 -0.109 0.000 0.956 516 K CB -0.628 31.815 32.500 -0.095 0.000 0.746 516 K HN 0.432 nan 8.250 nan 0.000 0.461 517 A N 0.521 123.262 122.820 -0.132 0.000 1.835 517 A HA -0.056 4.264 4.320 -0.001 0.000 0.213 517 A C 1.960 179.448 177.584 -0.161 0.000 1.210 517 A CA 0.955 52.907 52.037 -0.142 0.000 0.605 517 A CB -0.591 18.284 19.000 -0.208 0.000 0.860 517 A HN 0.139 nan 8.150 nan 0.000 0.447 518 I N 0.893 121.307 120.570 -0.259 0.000 2.623 518 I HA -0.224 3.945 4.170 -0.001 0.000 0.261 518 I C 2.229 178.350 176.117 0.006 0.000 1.204 518 I CA 0.986 62.127 61.300 -0.265 0.000 1.444 518 I CB -0.387 37.458 38.000 -0.257 0.000 1.094 518 I HN 0.358 nan 8.210 nan 0.000 0.451 519 E N 0.126 120.337 120.200 0.019 0.000 2.065 519 E HA -0.275 4.075 4.350 -0.001 0.000 0.201 519 E C 2.187 178.861 176.600 0.123 0.000 1.016 519 E CA 2.506 58.936 56.400 0.051 0.000 0.818 519 E CB -0.452 29.255 29.700 0.010 0.000 0.749 519 E HN 0.593 nan 8.360 nan 0.000 0.453 520 T N -0.582 114.070 114.554 0.163 0.000 2.867 520 T HA -0.099 4.250 4.350 -0.001 0.000 0.268 520 T C 1.809 176.536 174.700 0.045 0.000 1.057 520 T CA 0.891 63.022 62.100 0.051 0.000 1.136 520 T CB -0.596 68.195 68.868 -0.129 0.000 0.874 520 T HN 0.105 nan 8.240 nan 0.000 0.466 521 F N 0.222 120.112 119.950 -0.100 0.000 2.604 521 F HA 0.270 4.796 4.527 -0.001 0.000 0.298 521 F C 1.745 177.658 175.800 0.189 0.000 1.131 521 F CA -0.151 57.793 58.000 -0.094 0.000 1.457 521 F CB -0.449 38.320 39.000 -0.386 0.000 1.095 521 F HN 0.107 nan 8.300 nan 0.000 0.574 522 I N -1.591 119.144 120.570 0.276 0.000 3.035 522 I HA -0.112 4.058 4.170 -0.001 0.000 0.271 522 I C 1.304 177.446 176.117 0.042 0.000 1.190 522 I CA 0.327 61.712 61.300 0.142 0.000 1.472 522 I CB -0.572 37.444 38.000 0.026 0.000 1.116 522 I HN 0.002 nan 8.210 nan 0.000 0.443 523 H N 3.131 122.195 119.070 -0.010 0.000 3.193 523 H HA -0.092 4.464 4.556 -0.001 0.000 0.306 523 H C -1.663 173.630 175.328 -0.058 0.000 0.960 523 H CA -0.465 55.553 56.048 -0.050 0.000 1.375 523 H CB 0.891 30.627 29.762 -0.044 0.000 1.321 523 H HN -0.014 nan 8.280 nan 0.000 0.578 524 P HA -0.114 nan 4.420 nan 0.000 0.221 524 P C 0.561 177.881 177.300 0.033 0.000 1.145 524 P CA 1.687 64.704 63.100 -0.139 0.000 0.795 524 P CB 0.215 31.734 31.700 -0.303 0.000 0.775 525 S N -2.594 113.262 115.700 0.260 0.000 2.581 525 S HA 0.263 4.733 4.470 -0.001 0.000 0.245 525 S C 0.418 175.068 174.600 0.083 0.000 1.115 525 S CA -0.571 57.708 58.200 0.132 0.000 1.093 525 S CB -1.003 62.262 63.200 0.108 0.000 0.853 525 S HN -0.023 nan 8.310 nan 0.000 0.479 526 N N 1.924 120.697 118.700 0.122 0.000 2.642 526 N HA 0.218 4.958 4.740 -0.001 0.000 0.308 526 N C -1.365 174.281 175.510 0.228 0.000 1.914 526 N CA -0.182 52.969 53.050 0.168 0.000 0.893 526 N CB 0.644 39.219 38.487 0.147 0.000 1.322 526 N HN 0.366 nan 8.380 nan 0.000 0.490 527 N N 0.281 118.969 118.700 -0.019 0.000 2.508 527 N HA 0.481 5.220 4.740 -0.001 0.000 0.264 527 N C 0.699 175.793 175.510 -0.693 0.000 1.216 527 N CA 0.375 53.254 53.050 -0.284 0.000 0.943 527 N CB 1.332 39.699 38.487 -0.199 0.000 1.113 527 N HN 0.326 nan 8.380 nan 0.000 0.447 528 G N -0.403 107.595 108.800 -1.337 0.000 2.494 528 G HA2 0.195 4.155 3.960 -0.001 0.000 0.308 528 G HA3 0.195 4.155 3.960 -0.001 0.000 0.308 528 G C -0.334 173.874 174.900 -1.154 0.000 1.263 528 G CA -0.694 43.342 45.100 -1.774 0.000 0.840 528 G HN 0.412 nan 8.290 nan 0.000 0.479 529 F N -0.699 118.910 119.950 -0.568 0.000 2.604 529 F HA 0.163 4.690 4.527 -0.001 0.000 0.298 529 F C 1.794 177.585 175.800 -0.014 0.000 1.131 529 F CA 0.683 58.601 58.000 -0.136 0.000 1.457 529 F CB -0.723 38.320 39.000 0.073 0.000 1.095 529 F HN 0.511 nan 8.300 nan 0.000 0.574 530 W N 0.908 122.295 121.300 0.146 0.000 2.704 530 W HA 0.218 4.877 4.660 -0.001 0.000 0.266 530 W C 1.881 178.501 176.519 0.169 0.000 1.266 530 W CA 0.794 58.291 57.345 0.252 0.000 1.377 530 W CB -1.549 27.969 29.460 0.096 0.000 1.082 530 W HN -0.049 nan 8.180 nan 0.000 0.608 531 T N -0.614 113.788 114.554 -0.253 0.000 2.849 531 T HA -0.213 4.137 4.350 -0.001 0.000 0.270 531 T C 1.631 176.402 174.700 0.119 0.000 1.066 531 T CA 1.699 63.804 62.100 0.007 0.000 1.130 531 T CB -0.265 68.511 68.868 -0.153 0.000 0.864 531 T HN 0.317 nan 8.240 nan 0.000 0.481 532 K N 1.323 121.776 120.400 0.088 0.000 1.980 532 K HA -0.012 4.308 4.320 -0.001 0.000 0.208 532 K C -0.692 175.959 176.600 0.086 0.000 1.043 532 K CA 0.830 57.185 56.287 0.113 0.000 0.938 532 K CB -0.901 31.675 32.500 0.126 0.000 0.724 532 K HN 0.198 nan 8.250 nan 0.000 0.438 533 P HA -0.192 nan 4.420 nan 0.000 0.216 533 P C 0.654 177.954 177.300 0.000 0.000 1.157 533 P CA 1.532 64.710 63.100 0.130 0.000 0.880 533 P CB -0.154 31.725 31.700 0.299 0.000 0.791 534 N N -0.881 117.896 118.700 0.129 0.000 2.104 534 N HA -0.155 4.585 4.740 -0.001 0.000 0.190 534 N C 1.679 177.248 175.510 0.098 0.000 1.024 534 N CA 1.593 54.736 53.050 0.156 0.000 0.853 534 N CB -0.544 38.112 38.487 0.282 0.000 1.008 534 N HN 0.098 nan 8.380 nan 0.000 0.424 535 A N 2.008 124.843 122.820 0.026 0.000 1.832 535 A HA -0.099 4.220 4.320 -0.001 0.000 0.214 535 A C 2.057 179.384 177.584 -0.429 0.000 1.200 535 A CA 1.160 53.000 52.037 -0.328 0.000 0.610 535 A CB -0.487 18.517 19.000 0.007 0.000 0.842 535 A HN 0.136 nan 8.150 nan 0.000 0.444 536 K N -1.576 118.556 120.400 -0.446 0.000 2.442 536 K HA -0.152 4.167 4.320 -0.001 0.000 0.200 536 K C 1.489 177.629 176.600 -0.766 0.000 1.045 536 K CA 1.463 57.268 56.287 -0.802 0.000 0.937 536 K CB -0.271 31.691 32.500 -0.896 0.000 0.757 536 K HN 0.657 nan 8.250 nan 0.000 0.474 537 F N -0.252 119.291 119.950 -0.679 0.000 2.208 537 F HA -0.073 4.453 4.527 -0.001 0.000 0.282 537 F C 1.794 177.472 175.800 -0.203 0.000 1.071 537 F CA 0.377 58.174 58.000 -0.338 0.000 1.228 537 F CB -0.420 38.457 39.000 -0.204 0.000 1.088 537 F HN -0.335 nan 8.300 nan 0.000 0.512 538 V N 1.025 120.776 119.914 -0.272 0.000 2.636 538 V HA -0.341 3.779 4.120 -0.001 0.000 0.258 538 V C 2.214 178.042 176.094 -0.442 0.000 1.092 538 V CA 2.505 64.577 62.300 -0.379 0.000 1.110 538 V CB -1.407 30.379 31.823 -0.062 0.000 0.685 538 V HN 0.655 nan 8.190 nan 0.000 0.481 539 H N 0.141 118.891 119.070 -0.534 0.000 2.320 539 H HA 0.127 4.683 4.556 -0.001 0.000 0.309 539 H C 2.179 177.297 175.328 -0.349 0.000 1.057 539 H CA 1.456 57.217 56.048 -0.479 0.000 1.374 539 H CB -0.283 29.098 29.762 -0.635 0.000 1.421 539 H HN 0.240 nan 8.280 nan 0.000 0.532 540 A N 0.263 122.857 122.820 -0.377 0.000 1.986 540 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 540 A C 2.344 179.761 177.584 -0.278 0.000 1.171 540 A CA 1.789 53.660 52.037 -0.276 0.000 0.640 540 A CB -1.355 17.619 19.000 -0.044 0.000 0.811 540 A HN 0.633 nan 8.150 nan 0.000 0.451 541 F N 0.266 119.891 119.950 -0.542 0.000 2.128 541 F HA -0.000 4.527 4.527 -0.001 0.000 0.295 541 F C 1.883 177.447 175.800 -0.393 0.000 1.100 541 F CA 1.589 59.283 58.000 -0.510 0.000 1.260 541 F CB -0.064 38.424 39.000 -0.853 0.000 1.009 541 F HN 0.145 nan 8.300 nan 0.000 0.476 542 I N -0.031 120.361 120.570 -0.298 0.000 2.830 542 I HA -0.186 3.983 4.170 -0.001 0.000 0.263 542 I C 2.199 178.252 176.117 -0.106 0.000 1.230 542 I CA 0.809 61.954 61.300 -0.259 0.000 1.480 542 I CB -0.476 37.337 38.000 -0.311 0.000 1.095 542 I HN 0.168 nan 8.210 nan 0.000 0.455 543 K N 0.652 120.929 120.400 -0.205 0.000 1.991 543 K HA -0.087 4.232 4.320 -0.001 0.000 0.207 543 K C 2.201 178.704 176.600 -0.161 0.000 1.045 543 K CA 1.162 57.356 56.287 -0.155 0.000 0.937 543 K CB -0.053 32.316 32.500 -0.219 0.000 0.720 543 K HN -0.021 nan 8.250 nan 0.000 0.438 544 S N -0.420 115.150 115.700 -0.216 0.000 2.595 544 S HA -0.099 4.371 4.470 -0.001 0.000 0.235 544 S C 1.178 175.583 174.600 -0.324 0.000 0.974 544 S CA 0.508 58.578 58.200 -0.216 0.000 0.942 544 S CB -0.132 62.959 63.200 -0.181 0.000 0.766 544 S HN 0.386 nan 8.310 nan 0.000 0.536 545 Y N 0.591 120.611 120.300 -0.466 0.000 2.265 545 Y HA 0.100 4.650 4.550 -0.001 0.000 0.290 545 Y C 2.158 177.916 175.900 -0.237 0.000 1.137 545 Y CA 1.580 59.411 58.100 -0.448 0.000 1.147 545 Y CB -0.841 37.308 38.460 -0.517 0.000 1.104 545 Y HN 0.405 nan 8.280 nan 0.000 0.514 546 H N -0.027 119.038 119.070 -0.009 0.000 2.394 546 H HA -0.165 4.390 4.556 -0.001 0.000 0.297 546 H C 2.192 177.410 175.328 -0.183 0.000 1.113 546 H CA 1.949 57.931 56.048 -0.110 0.000 1.277 546 H CB -0.647 29.026 29.762 -0.149 0.000 1.370 546 H HN 0.561 nan 8.280 nan 0.000 0.506 547 G N 0.588 109.353 108.800 -0.058 0.000 2.514 547 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.217 547 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.217 547 G C 1.772 176.619 174.900 -0.087 0.000 1.198 547 G CA 1.051 46.111 45.100 -0.067 0.000 0.780 547 G HN 0.530 nan 8.290 nan 0.000 0.565 548 R N 0.005 120.409 120.500 -0.160 0.000 2.070 548 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 548 R C 2.599 178.861 176.300 -0.063 0.000 1.138 548 R CA 1.928 57.978 56.100 -0.084 0.000 0.936 548 R CB -0.840 29.237 30.300 -0.372 0.000 0.839 548 R HN 0.193 nan 8.270 nan 0.000 0.429 549 V N 1.959 121.706 119.914 -0.278 0.000 2.250 549 V HA -0.302 3.818 4.120 -0.001 0.000 0.253 549 V C 2.302 178.311 176.094 -0.142 0.000 1.065 549 V CA 2.153 64.322 62.300 -0.219 0.000 1.039 549 V CB -0.476 31.141 31.823 -0.343 0.000 0.647 549 V HN 0.370 nan 8.190 nan 0.000 0.446 550 K N -1.390 118.872 120.400 -0.229 0.000 2.555 550 K HA -0.082 4.237 4.320 -0.001 0.000 0.193 550 K C 1.705 178.305 176.600 0.001 0.000 1.032 550 K CA 0.904 57.096 56.287 -0.159 0.000 1.004 550 K CB -0.269 32.064 32.500 -0.278 0.000 0.804 550 K HN 0.769 nan 8.250 nan 0.000 0.496 551 Y N 0.676 120.935 120.300 -0.069 0.000 2.503 551 Y HA 0.058 4.608 4.550 -0.001 0.000 0.277 551 Y C 1.635 177.541 175.900 0.010 0.000 1.102 551 Y CA 0.763 58.858 58.100 -0.008 0.000 1.261 551 Y CB 0.549 39.028 38.460 0.033 0.000 1.096 551 Y HN 0.045 nan 8.280 nan 0.000 0.546 552 E N 0.270 120.465 120.200 -0.008 0.000 2.122 552 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 552 E C 1.654 178.193 176.600 -0.103 0.000 0.977 552 E CA 0.963 57.314 56.400 -0.082 0.000 0.820 552 E CB 0.022 29.750 29.700 0.046 0.000 0.770 552 E HN 0.577 nan 8.360 nan 0.000 0.462 553 E N 0.936 121.098 120.200 -0.062 0.000 2.338 553 E HA -0.178 4.172 4.350 -0.001 0.000 0.197 553 E C 1.366 177.929 176.600 -0.063 0.000 1.007 553 E CA 0.973 57.344 56.400 -0.048 0.000 0.849 553 E CB 0.030 29.716 29.700 -0.024 0.000 0.774 553 E HN 0.195 nan 8.360 nan 0.000 0.506 554 D N 0.440 120.782 120.400 -0.096 0.000 2.277 554 D HA -0.072 4.568 4.640 -0.001 0.000 0.208 554 D C 1.605 177.816 176.300 -0.149 0.000 0.962 554 D CA 0.671 54.608 54.000 -0.104 0.000 0.865 554 D CB 0.123 40.860 40.800 -0.105 0.000 0.939 554 D HN 0.131 nan 8.370 nan 0.000 0.510 555 I N -0.410 120.038 120.570 -0.202 0.000 3.265 555 I HA -0.013 4.156 4.170 -0.001 0.000 0.282 555 I C 0.967 177.007 176.117 -0.129 0.000 1.207 555 I CA 0.067 61.247 61.300 -0.201 0.000 1.449 555 I CB 0.408 38.233 38.000 -0.292 0.000 1.121 555 I HN 0.120 nan 8.210 nan 0.000 0.442 556 C N 1.498 120.737 119.300 -0.102 0.000 2.524 556 C HA 0.315 4.775 4.460 -0.001 0.000 0.301 556 C C 1.778 176.737 174.990 -0.053 0.000 1.296 556 C CA -0.038 58.937 59.018 -0.071 0.000 1.683 556 C CB -1.711 25.995 27.740 -0.058 0.000 1.764 556 C HN 0.460 nan 8.230 nan 0.000 0.597 557 A N 0.431 123.216 122.820 -0.058 0.000 2.630 557 A HA 0.437 4.756 4.320 -0.001 0.000 0.290 557 A C 1.285 178.840 177.584 -0.047 0.000 1.267 557 A CA 0.004 52.017 52.037 -0.040 0.000 0.950 557 A CB -0.177 18.806 19.000 -0.028 0.000 1.144 557 A HN 0.371 nan 8.150 nan 0.000 0.527 558 R N -1.686 118.779 120.500 -0.058 0.000 2.518 558 R HA 0.296 4.636 4.340 -0.001 0.000 0.419 558 R C 0.993 177.260 176.300 -0.054 0.000 0.902 558 R CA 0.933 56.998 56.100 -0.059 0.000 1.146 558 R CB -0.391 29.862 30.300 -0.077 0.000 1.652 558 R HN 0.853 nan 8.270 nan 0.000 0.555 559 G N -0.127 108.644 108.800 -0.050 0.000 2.304 559 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.252 559 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.252 559 G C -0.142 174.726 174.900 -0.053 0.000 1.014 559 G CA 0.336 45.409 45.100 -0.045 0.000 0.619 559 G HN 0.244 nan 8.290 nan 0.000 0.525 560 V N 3.213 123.088 119.914 -0.066 0.000 2.313 560 V HA 0.457 4.576 4.120 -0.001 0.000 0.252 560 V C 1.053 177.096 176.094 -0.086 0.000 1.112 560 V CA 0.300 62.554 62.300 -0.077 0.000 0.984 560 V CB 0.204 31.976 31.823 -0.085 0.000 1.157 560 V HN 0.342 nan 8.190 nan 0.000 0.493 561 T N 2.750 117.259 114.554 -0.074 0.000 2.726 561 T HA 0.180 4.530 4.350 -0.001 0.000 0.294 561 T C 1.070 175.717 174.700 -0.089 0.000 1.013 561 T CA -0.151 61.905 62.100 -0.074 0.000 0.996 561 T CB 0.608 69.441 68.868 -0.059 0.000 1.016 561 T HN 0.733 nan 8.240 nan 0.000 0.529 562 N N -1.450 117.198 118.700 -0.087 0.000 1.926 562 N HA 0.032 4.771 4.740 -0.001 0.000 0.221 562 N C 1.310 176.770 175.510 -0.084 0.000 1.410 562 N CA 0.883 53.868 53.050 -0.107 0.000 0.711 562 N CB 0.207 38.602 38.487 -0.152 0.000 1.126 562 N HN 0.894 nan 8.380 nan 0.000 0.546 563 G N 2.222 110.990 108.800 -0.053 0.000 2.448 563 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.257 563 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.257 563 G C 0.991 175.891 174.900 -0.000 0.000 0.997 563 G CA 0.908 45.993 45.100 -0.024 0.000 0.635 563 G HN 0.449 nan 8.290 nan 0.000 0.556 564 I N 0.855 121.409 120.570 -0.027 0.000 2.439 564 I HA -0.036 4.134 4.170 -0.001 0.000 0.251 564 I C 1.852 178.000 176.117 0.052 0.000 1.139 564 I CA 0.506 61.807 61.300 0.002 0.000 1.438 564 I CB -0.298 37.594 38.000 -0.179 0.000 1.085 564 I HN 0.379 nan 8.210 nan 0.000 0.427 565 C N 1.256 120.561 119.300 0.008 0.000 2.746 565 C HA -0.011 4.448 4.460 -0.001 0.000 0.403 565 C C 0.734 175.754 174.990 0.050 0.000 1.270 565 C CA -0.447 58.594 59.018 0.039 0.000 1.978 565 C CB -0.354 27.378 27.740 -0.014 0.000 2.724 565 C HN 0.170 nan 8.230 nan 0.000 0.678 566 L N 2.887 124.143 121.223 0.054 0.000 2.319 566 L HA 0.314 4.653 4.340 -0.001 0.000 0.280 566 L C 0.977 177.800 176.870 -0.079 0.000 1.099 566 L CA 0.216 55.082 54.840 0.043 0.000 0.828 566 L CB 0.658 42.768 42.059 0.086 0.000 1.150 566 L HN 0.860 nan 8.230 nan 0.000 0.442 567 T N -0.740 113.726 114.554 -0.146 0.000 2.902 567 T HA 0.072 4.422 4.350 -0.001 0.000 0.280 567 T C 1.281 175.640 174.700 -0.568 0.000 0.992 567 T CA -0.121 61.817 62.100 -0.270 0.000 1.015 567 T CB 1.674 70.457 68.868 -0.141 0.000 1.044 567 T HN 0.576 nan 8.240 nan 0.000 0.520 568 S N 0.567 115.908 115.700 -0.599 0.000 2.440 568 S HA -0.101 4.369 4.470 -0.001 0.000 0.240 568 S C 1.218 175.566 174.600 -0.420 0.000 1.014 568 S CA 1.215 59.059 58.200 -0.593 0.000 0.980 568 S CB -0.880 61.956 63.200 -0.607 0.000 0.775 568 S HN 0.673 nan 8.310 nan 0.000 0.499 569 F N 0.605 120.494 119.950 -0.101 0.000 2.754 569 F HA 0.278 4.805 4.527 -0.001 0.000 0.297 569 F C 2.417 178.217 175.800 0.000 0.000 1.122 569 F CA -0.701 57.285 58.000 -0.023 0.000 1.400 569 F CB -1.043 37.934 39.000 -0.038 0.000 1.117 569 F HN 0.312 nan 8.300 nan 0.000 0.587 570 C N -0.620 118.751 119.300 0.119 0.000 2.500 570 C HA -0.118 4.341 4.460 -0.001 0.000 0.279 570 C C 2.719 178.035 174.990 0.544 0.000 1.288 570 C CA 0.566 59.768 59.018 0.307 0.000 1.710 570 C CB -1.164 26.811 27.740 0.392 0.000 2.052 570 C HN 0.408 nan 8.230 nan 0.000 0.488 571 H N 1.526 120.813 119.070 0.362 0.000 2.431 571 H HA -0.127 4.429 4.556 -0.001 0.000 0.297 571 H C 2.010 177.489 175.328 0.251 0.000 1.115 571 H CA 1.639 57.866 56.048 0.298 0.000 1.277 571 H CB -0.748 29.148 29.762 0.222 0.000 1.372 571 H HN 0.658 nan 8.280 nan 0.000 0.516 572 E N 0.594 121.017 120.200 0.373 0.000 2.015 572 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 572 E C 2.015 178.803 176.600 0.314 0.000 0.991 572 E CA 0.863 57.453 56.400 0.317 0.000 0.802 572 E CB -0.076 29.820 29.700 0.327 0.000 0.759 572 E HN 0.505 nan 8.360 nan 0.000 0.447 573 E N 0.252 120.679 120.200 0.378 0.000 2.409 573 E HA -0.126 4.223 4.350 -0.001 0.000 0.198 573 E C 1.776 178.652 176.600 0.460 0.000 1.024 573 E CA 0.156 56.820 56.400 0.440 0.000 0.861 573 E CB 0.181 30.220 29.700 0.564 0.000 0.788 573 E HN 0.188 nan 8.360 nan 0.000 0.521 574 I N -0.065 120.762 120.570 0.429 0.000 2.286 574 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 574 I C 2.124 178.418 176.117 0.294 0.000 1.104 574 I CA 0.869 62.345 61.300 0.293 0.000 1.397 574 I CB -0.663 37.363 38.000 0.044 0.000 1.072 574 I HN 0.042 nan 8.210 nan 0.000 0.417 575 V N 1.054 121.101 119.914 0.222 0.000 2.343 575 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 575 V C 2.504 178.696 176.094 0.163 0.000 1.051 575 V CA 1.468 63.875 62.300 0.178 0.000 1.036 575 V CB -0.618 31.287 31.823 0.136 0.000 0.654 575 V HN 0.380 nan 8.190 nan 0.000 0.451 576 E N -0.035 120.259 120.200 0.158 0.000 2.147 576 E HA -0.239 4.111 4.350 -0.001 0.000 0.199 576 E C 2.123 178.761 176.600 0.063 0.000 1.005 576 E CA 1.704 58.170 56.400 0.111 0.000 0.810 576 E CB -0.269 29.508 29.700 0.128 0.000 0.736 576 E HN 0.586 nan 8.360 nan 0.000 0.460 577 I N -0.373 120.229 120.570 0.053 0.000 2.162 577 I HA -0.195 3.975 4.170 -0.001 0.000 0.238 577 I C 1.437 177.414 176.117 -0.233 0.000 1.076 577 I CA 0.925 62.133 61.300 -0.154 0.000 1.353 577 I CB -0.179 37.624 38.000 -0.328 0.000 1.063 577 I HN -0.058 nan 8.210 nan 0.000 0.408 578 F N 0.362 120.296 119.950 -0.026 0.000 2.701 578 F HA 0.083 4.610 4.527 -0.001 0.000 0.295 578 F C 1.378 177.174 175.800 -0.008 0.000 1.165 578 F CA -0.031 57.951 58.000 -0.029 0.000 1.399 578 F CB -0.007 38.956 39.000 -0.062 0.000 0.996 578 F HN 0.046 nan 8.300 nan 0.000 0.513 579 L N 0.156 121.458 121.223 0.133 0.000 2.200 579 L HA 0.062 4.401 4.340 -0.001 0.000 0.200 579 L C 2.054 178.979 176.870 0.092 0.000 1.072 579 L CA 1.566 56.481 54.840 0.126 0.000 0.787 579 L CB -0.961 41.166 42.059 0.112 0.000 0.957 579 L HN 0.178 nan 8.230 nan 0.000 0.459 580 N N -0.096 118.632 118.700 0.048 0.000 2.120 580 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 580 N C 1.882 177.398 175.510 0.010 0.000 1.024 580 N CA 1.556 54.620 53.050 0.023 0.000 0.852 580 N CB 0.084 38.575 38.487 0.006 0.000 1.003 580 N HN 0.311 nan 8.380 nan 0.000 0.424 581 I N 1.336 121.919 120.570 0.021 0.000 2.151 581 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 581 I C 2.253 178.408 176.117 0.063 0.000 1.080 581 I CA 1.236 62.564 61.300 0.046 0.000 1.339 581 I CB -0.515 37.540 38.000 0.091 0.000 1.039 581 I HN 0.226 nan 8.210 nan 0.000 0.409 582 I N -0.081 120.558 120.570 0.116 0.000 2.394 582 I HA -0.249 3.920 4.170 -0.001 0.000 0.251 582 I C 2.748 178.846 176.117 -0.032 0.000 1.136 582 I CA 0.975 62.321 61.300 0.077 0.000 1.425 582 I CB -0.112 37.817 38.000 -0.118 0.000 1.079 582 I HN 0.169 nan 8.210 nan 0.000 0.425 583 S N 0.623 116.339 115.700 0.027 0.000 2.387 583 S HA -0.052 4.418 4.470 -0.001 0.000 0.226 583 S C 1.981 176.526 174.600 -0.092 0.000 1.026 583 S CA 1.007 59.239 58.200 0.054 0.000 0.972 583 S CB -0.090 63.161 63.200 0.085 0.000 0.814 583 S HN 0.303 nan 8.310 nan 0.000 0.477 584 L N 0.574 121.692 121.223 -0.175 0.000 2.056 584 L HA 0.040 4.380 4.340 -0.001 0.000 0.207 584 L C 2.804 179.421 176.870 -0.422 0.000 1.078 584 L CA 1.192 55.860 54.840 -0.286 0.000 0.749 584 L CB -1.047 40.860 42.059 -0.254 0.000 0.901 584 L HN 0.425 nan 8.230 nan 0.000 0.433 585 G N -0.028 108.356 108.800 -0.695 0.000 2.422 585 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 585 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 585 G C 1.747 176.320 174.900 -0.546 0.000 1.146 585 G CA 0.979 45.307 45.100 -1.287 0.000 0.769 585 G HN 0.503 nan 8.290 nan 0.000 0.547 586 S N -0.092 115.448 115.700 -0.266 0.000 2.481 586 S HA -0.009 4.460 4.470 -0.001 0.000 0.231 586 S C 1.874 176.407 174.600 -0.112 0.000 0.996 586 S CA 0.839 59.002 58.200 -0.062 0.000 0.942 586 S CB -0.007 63.232 63.200 0.066 0.000 0.768 586 S HN 0.331 nan 8.310 nan 0.000 0.520 587 Q N 1.438 121.112 119.800 -0.212 0.000 2.360 587 Q HA 0.250 4.590 4.340 -0.001 0.000 0.202 587 Q C 0.389 176.153 176.000 -0.393 0.000 0.915 587 Q CA -0.186 55.426 55.803 -0.319 0.000 0.943 587 Q CB -0.483 28.034 28.738 -0.367 0.000 1.064 587 Q HN 0.636 nan 8.270 nan 0.000 0.511 588 N N 1.815 120.350 118.700 -0.275 0.000 2.283 588 N HA -0.105 4.634 4.740 -0.001 0.000 0.236 588 N C 0.724 176.126 175.510 -0.180 0.000 1.252 588 N CA 0.534 53.456 53.050 -0.213 0.000 0.856 588 N CB 0.767 39.171 38.487 -0.138 0.000 1.099 588 N HN 0.048 nan 8.380 nan 0.000 0.444 589 K N 0.805 121.121 120.400 -0.139 0.000 2.097 589 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 589 K C 0.542 177.101 176.600 -0.067 0.000 1.050 589 K CA 0.572 56.803 56.287 -0.092 0.000 0.938 589 K CB -0.091 32.370 32.500 -0.065 0.000 0.718 589 K HN 0.470 nan 8.250 nan 0.000 0.442 590 N N 1.295 119.953 118.700 -0.069 0.000 2.458 590 N HA 0.019 4.759 4.740 -0.001 0.000 0.270 590 N C -1.910 173.560 175.510 -0.066 0.000 1.102 590 N CA -1.826 51.186 53.050 -0.063 0.000 0.967 590 N CB 1.307 39.756 38.487 -0.063 0.000 1.078 590 N HN -0.107 nan 8.380 nan 0.000 0.471 591 P HA -0.019 nan 4.420 nan 0.000 0.225 591 P C 0.252 177.490 177.300 -0.103 0.000 1.156 591 P CA 0.813 63.873 63.100 -0.067 0.000 0.787 591 P CB 0.709 32.377 31.700 -0.052 0.000 0.802 592 D N 0.077 120.396 120.400 -0.136 0.000 2.137 592 D HA 0.011 4.651 4.640 -0.001 0.000 0.202 592 D C 2.071 178.174 176.300 -0.329 0.000 0.970 592 D CA 0.691 54.546 54.000 -0.242 0.000 0.837 592 D CB -0.236 40.428 40.800 -0.228 0.000 0.981 592 D HN 0.175 nan 8.370 nan 0.000 0.475 593 I N 1.160 121.626 120.570 -0.174 0.000 2.756 593 I HA -0.199 3.971 4.170 -0.001 0.000 0.262 593 I C 2.204 178.375 176.117 0.091 0.000 1.225 593 I CA 0.308 61.579 61.300 -0.048 0.000 1.472 593 I CB 0.124 38.144 38.000 0.033 0.000 1.094 593 I HN -0.090 nan 8.210 nan 0.000 0.454 594 A N 0.486 123.313 122.820 0.012 0.000 1.911 594 A HA -0.089 4.230 4.320 -0.001 0.000 0.212 594 A C 1.880 179.495 177.584 0.052 0.000 1.189 594 A CA 0.767 52.846 52.037 0.069 0.000 0.639 594 A CB -0.386 18.608 19.000 -0.011 0.000 0.839 594 A HN 0.328 nan 8.150 nan 0.000 0.449 595 N N -0.753 117.907 118.700 -0.066 0.000 2.513 595 N HA -0.139 4.600 4.740 -0.001 0.000 0.187 595 N C 1.259 176.735 175.510 -0.056 0.000 1.056 595 N CA 1.066 54.066 53.050 -0.082 0.000 0.907 595 N CB -0.486 37.913 38.487 -0.147 0.000 0.954 595 N HN 0.769 nan 8.380 nan 0.000 0.445 596 Y N -0.646 119.564 120.300 -0.149 0.000 2.176 596 Y HA -0.152 4.397 4.550 -0.001 0.000 0.291 596 Y C 1.790 177.526 175.900 -0.274 0.000 1.122 596 Y CA 0.556 58.475 58.100 -0.303 0.000 1.128 596 Y CB -0.170 38.066 38.460 -0.373 0.000 1.005 596 Y HN -0.008 nan 8.280 nan 0.000 0.509 597 Y N 0.014 120.313 120.300 -0.001 0.000 2.224 597 Y HA -0.237 4.313 4.550 -0.001 0.000 0.289 597 Y C 2.226 177.954 175.900 -0.286 0.000 1.146 597 Y CA 1.251 59.268 58.100 -0.137 0.000 1.182 597 Y CB -0.465 37.931 38.460 -0.107 0.000 0.983 597 Y HN 0.120 nan 8.280 nan 0.000 0.524 598 I N -0.632 119.932 120.570 -0.010 0.000 2.394 598 I HA -0.241 3.928 4.170 -0.001 0.000 0.251 598 I C 2.327 178.410 176.117 -0.057 0.000 1.136 598 I CA 1.498 62.795 61.300 -0.005 0.000 1.425 598 I CB -0.549 37.517 38.000 0.110 0.000 1.079 598 I HN 0.213 nan 8.210 nan 0.000 0.425 599 S N -0.249 115.385 115.700 -0.110 0.000 2.515 599 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 599 S C 1.877 176.237 174.600 -0.399 0.000 0.987 599 S CA 0.386 58.477 58.200 -0.183 0.000 0.936 599 S CB -0.815 62.286 63.200 -0.166 0.000 0.766 599 S HN 0.461 nan 8.310 nan 0.000 0.528 600 C N 0.777 119.834 119.300 -0.405 0.000 2.456 600 C HA 0.269 4.729 4.460 -0.001 0.000 0.279 600 C C 2.039 176.820 174.990 -0.348 0.000 1.427 600 C CA -0.068 58.677 59.018 -0.455 0.000 1.778 600 C CB -1.961 25.527 27.740 -0.419 0.000 1.842 600 C HN 0.672 nan 8.230 nan 0.000 0.531 601 F N 1.550 121.395 119.950 -0.174 0.000 2.186 601 F HA -0.115 4.412 4.527 -0.001 0.000 0.299 601 F C 2.571 178.220 175.800 -0.251 0.000 1.090 601 F CA 1.120 59.008 58.000 -0.188 0.000 1.307 601 F CB -0.403 38.497 39.000 -0.168 0.000 1.019 601 F HN 0.177 nan 8.300 nan 0.000 0.489 602 A N -0.342 122.466 122.820 -0.020 0.000 1.902 602 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 602 A C 1.980 179.564 177.584 -0.001 0.000 1.181 602 A CA 1.302 53.319 52.037 -0.033 0.000 0.623 602 A CB -1.337 17.797 19.000 0.223 0.000 0.818 602 A HN 0.515 nan 8.150 nan 0.000 0.443 603 Y N -0.241 119.943 120.300 -0.193 0.000 2.200 603 Y HA -0.139 4.411 4.550 -0.001 0.000 0.290 603 Y C 2.318 178.128 175.900 -0.149 0.000 1.137 603 Y CA 0.652 58.585 58.100 -0.278 0.000 1.163 603 Y CB -0.268 38.000 38.460 -0.320 0.000 0.988 603 Y HN 0.182 nan 8.280 nan 0.000 0.518 604 L N -0.138 121.089 121.223 0.007 0.000 2.056 604 L HA -0.243 4.096 4.340 -0.001 0.000 0.207 604 L C 2.262 179.088 176.870 -0.074 0.000 1.078 604 L CA 1.011 55.840 54.840 -0.018 0.000 0.749 604 L CB -0.588 41.462 42.059 -0.016 0.000 0.901 604 L HN 0.331 nan 8.230 nan 0.000 0.433 605 L N -0.506 120.571 121.223 -0.243 0.000 2.201 605 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 605 L C 2.620 179.312 176.870 -0.296 0.000 1.105 605 L CA 0.802 55.414 54.840 -0.379 0.000 0.775 605 L CB -0.528 41.044 42.059 -0.812 0.000 0.913 605 L HN 0.326 nan 8.230 nan 0.000 0.440 606 E N 0.801 120.877 120.200 -0.206 0.000 2.204 606 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 606 E C 2.126 178.773 176.600 0.078 0.000 0.989 606 E CA 0.814 57.267 56.400 0.089 0.000 0.824 606 E CB 0.011 29.922 29.700 0.352 0.000 0.756 606 E HN 0.512 nan 8.360 nan 0.000 0.477 607 L N 0.678 121.922 121.223 0.035 0.000 2.622 607 L HA -0.078 4.262 4.340 -0.001 0.000 0.233 607 L C 0.635 177.538 176.870 0.054 0.000 1.156 607 L CA 0.293 55.108 54.840 -0.042 0.000 0.866 607 L CB -0.597 41.366 42.059 -0.161 0.000 0.980 607 L HN 0.033 nan 8.230 nan 0.000 0.448 608 D N 0.660 121.098 120.400 0.063 0.000 2.720 608 D HA -0.135 4.504 4.640 -0.001 0.000 0.229 608 D C -1.753 174.638 176.300 0.151 0.000 1.198 608 D CA 0.010 54.072 54.000 0.103 0.000 0.639 608 D CB -0.055 40.792 40.800 0.078 0.000 1.003 608 D HN 0.247 nan 8.370 nan 0.000 0.411 609 P HA 0.098 nan 4.420 nan 0.000 0.274 609 P C 0.954 178.387 177.300 0.221 0.000 1.256 609 P CA -0.124 63.108 63.100 0.220 0.000 0.795 609 P CB 0.781 32.618 31.700 0.228 0.000 1.038 610 S N 0.102 115.940 115.700 0.231 0.000 2.399 610 S HA -0.163 4.306 4.470 -0.001 0.000 0.231 610 S C 1.529 176.352 174.600 0.371 0.000 1.022 610 S CA 0.966 59.325 58.200 0.265 0.000 0.983 610 S CB -1.069 62.287 63.200 0.260 0.000 0.803 610 S HN 0.416 nan 8.310 nan 0.000 0.480 611 N N 2.301 121.180 118.700 0.298 0.000 2.443 611 N HA 0.064 4.803 4.740 -0.001 0.000 0.184 611 N C 1.873 177.449 175.510 0.109 0.000 1.037 611 N CA 0.971 54.126 53.050 0.175 0.000 0.896 611 N CB -0.757 37.794 38.487 0.107 0.000 0.959 611 N HN 0.589 nan 8.380 nan 0.000 0.442 612 A N 1.419 124.398 122.820 0.265 0.000 1.969 612 A HA -0.294 4.026 4.320 -0.001 0.000 0.223 612 A C 2.007 179.855 177.584 0.440 0.000 1.218 612 A CA 2.087 54.320 52.037 0.327 0.000 0.667 612 A CB -1.460 17.802 19.000 0.437 0.000 0.826 612 A HN 0.650 nan 8.150 nan 0.000 0.472 613 Y N -1.154 119.386 120.300 0.400 0.000 2.165 613 Y HA -0.160 4.390 4.550 -0.001 0.000 0.286 613 Y C 1.903 178.002 175.900 0.332 0.000 1.155 613 Y CA 1.379 59.750 58.100 0.451 0.000 1.164 613 Y CB -0.840 37.832 38.460 0.353 0.000 0.978 613 Y HN 0.185 nan 8.280 nan 0.000 0.513 614 L N 0.206 121.074 121.223 -0.592 0.000 2.043 614 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 614 L C 2.567 179.368 176.870 -0.115 0.000 1.075 614 L CA 1.791 56.403 54.840 -0.380 0.000 0.752 614 L CB -0.521 41.297 42.059 -0.401 0.000 0.891 614 L HN 0.384 nan 8.230 nan 0.000 0.432 615 I N -1.838 118.664 120.570 -0.113 0.000 2.193 615 I HA -0.302 3.868 4.170 -0.001 0.000 0.240 615 I C 2.366 178.320 176.117 -0.272 0.000 1.084 615 I CA 1.302 62.477 61.300 -0.207 0.000 1.365 615 I CB -0.368 37.474 38.000 -0.263 0.000 1.064 615 I HN 0.074 nan 8.210 nan 0.000 0.410 616 Y N 1.100 121.294 120.300 -0.177 0.000 2.193 616 Y HA -0.317 4.233 4.550 -0.001 0.000 0.285 616 Y C 2.319 178.090 175.900 -0.215 0.000 1.166 616 Y CA 1.365 59.260 58.100 -0.343 0.000 1.181 616 Y CB -0.542 37.468 38.460 -0.749 0.000 0.976 616 Y HN 0.226 nan 8.280 nan 0.000 0.520 617 D N 0.091 120.569 120.400 0.131 0.000 2.087 617 D HA -0.186 4.454 4.640 -0.001 0.000 0.192 617 D C 2.100 178.439 176.300 0.065 0.000 0.993 617 D CA 1.422 55.519 54.000 0.162 0.000 0.828 617 D CB -0.385 40.547 40.800 0.221 0.000 0.968 617 D HN 0.225 nan 8.370 nan 0.000 0.448 618 K N 0.621 121.024 120.400 0.006 0.000 1.987 618 K HA -0.152 4.168 4.320 -0.001 0.000 0.216 618 K C 2.313 178.901 176.600 -0.021 0.000 1.051 618 K CA 1.239 57.521 56.287 -0.008 0.000 0.942 618 K CB -0.456 32.023 32.500 -0.036 0.000 0.722 618 K HN 0.080 nan 8.250 nan 0.000 0.444 619 I N 1.125 121.616 120.570 -0.132 0.000 2.229 619 I HA -0.313 3.857 4.170 -0.001 0.000 0.250 619 I C 2.452 178.584 176.117 0.026 0.000 1.096 619 I CA 0.965 62.192 61.300 -0.122 0.000 1.358 619 I CB -0.268 37.569 38.000 -0.273 0.000 1.047 619 I HN 0.316 nan 8.210 nan 0.000 0.422 620 L N 0.356 121.614 121.223 0.058 0.000 2.162 620 L HA -0.034 4.306 4.340 -0.001 0.000 0.205 620 L C 2.197 179.184 176.870 0.195 0.000 1.086 620 L CA 1.453 56.360 54.840 0.112 0.000 0.778 620 L CB -0.163 41.988 42.059 0.154 0.000 0.928 620 L HN 0.062 nan 8.230 nan 0.000 0.446 621 I N -0.509 120.195 120.570 0.224 0.000 2.133 621 I HA -0.275 3.895 4.170 -0.001 0.000 0.238 621 I C 2.001 178.276 176.117 0.264 0.000 1.074 621 I CA 1.353 62.845 61.300 0.321 0.000 1.342 621 I CB -0.562 37.531 38.000 0.155 0.000 1.053 621 I HN 0.196 nan 8.210 nan 0.000 0.404 622 D N 0.796 121.316 120.400 0.201 0.000 2.149 622 D HA -0.228 4.411 4.640 -0.001 0.000 0.194 622 D C 1.936 178.371 176.300 0.225 0.000 1.001 622 D CA 1.366 55.522 54.000 0.260 0.000 0.849 622 D CB -0.339 40.557 40.800 0.160 0.000 0.939 622 D HN 0.212 nan 8.370 nan 0.000 0.449 623 L N -0.884 120.392 121.223 0.088 0.000 2.044 623 L HA -0.104 4.236 4.340 -0.001 0.000 0.205 623 L C 2.116 178.923 176.870 -0.105 0.000 1.075 623 L CA 1.510 56.312 54.840 -0.065 0.000 0.747 623 L CB -0.674 41.233 42.059 -0.254 0.000 0.903 623 L HN 0.084 nan 8.230 nan 0.000 0.435 624 Y N -0.257 120.000 120.300 -0.072 0.000 2.293 624 Y HA -0.231 4.319 4.550 -0.001 0.000 0.291 624 Y C 2.321 178.119 175.900 -0.169 0.000 1.137 624 Y CA 0.951 58.919 58.100 -0.220 0.000 1.202 624 Y CB -0.024 38.133 38.460 -0.504 0.000 0.990 624 Y HN 0.295 nan 8.280 nan 0.000 0.537 625 D N -0.751 119.720 120.400 0.118 0.000 2.097 625 D HA -0.161 4.479 4.640 -0.001 0.000 0.195 625 D C 2.109 178.373 176.300 -0.060 0.000 0.989 625 D CA 1.856 55.836 54.000 -0.033 0.000 0.827 625 D CB -0.552 40.145 40.800 -0.172 0.000 0.966 625 D HN 0.214 nan 8.370 nan 0.000 0.456 626 T N 0.921 115.546 114.554 0.118 0.000 2.788 626 T HA -0.063 4.287 4.350 -0.001 0.000 0.268 626 T C 2.007 176.740 174.700 0.055 0.000 1.044 626 T CA 0.541 62.757 62.100 0.193 0.000 1.139 626 T CB -0.142 68.859 68.868 0.220 0.000 0.867 626 T HN 0.147 nan 8.240 nan 0.000 0.454 627 L N 0.347 121.571 121.223 0.003 0.000 2.395 627 L HA 0.165 4.504 4.340 -0.001 0.000 0.218 627 L C 2.281 179.145 176.870 -0.009 0.000 1.130 627 L CA 0.431 55.261 54.840 -0.018 0.000 0.826 627 L CB -0.368 41.663 42.059 -0.047 0.000 0.941 627 L HN 0.187 nan 8.230 nan 0.000 0.451 628 A N -1.445 121.364 122.820 -0.019 0.000 2.415 628 A HA 0.060 4.380 4.320 -0.001 0.000 0.248 628 A C 0.466 178.023 177.584 -0.045 0.000 1.299 628 A CA -0.171 51.843 52.037 -0.038 0.000 0.899 628 A CB -0.130 18.833 19.000 -0.062 0.000 0.997 628 A HN 0.397 nan 8.150 nan 0.000 0.506 629 D N -0.463 119.921 120.400 -0.026 0.000 2.983 629 D HA -0.169 4.470 4.640 -0.001 0.000 0.225 629 D C 0.556 176.824 176.300 -0.053 0.000 1.174 629 D CA 1.064 55.054 54.000 -0.016 0.000 0.831 629 D CB -0.767 40.026 40.800 -0.011 0.000 1.104 629 D HN 0.590 nan 8.370 nan 0.000 0.421 630 Q N -1.365 118.348 119.800 -0.145 0.000 2.482 630 Q HA 0.052 4.392 4.340 -0.001 0.000 0.209 630 Q C 1.530 177.328 176.000 -0.337 0.000 0.961 630 Q CA 0.484 56.127 55.803 -0.267 0.000 0.945 630 Q CB -0.015 28.481 28.738 -0.403 0.000 1.012 630 Q HN 0.569 nan 8.270 nan 0.000 0.515 631 F N -1.124 118.815 119.950 -0.019 0.000 2.798 631 F HA 0.216 4.743 4.527 -0.001 0.000 0.328 631 F C 1.627 177.393 175.800 -0.056 0.000 1.098 631 F CA -0.380 57.596 58.000 -0.040 0.000 1.172 631 F CB 0.540 39.515 39.000 -0.042 0.000 1.072 631 F HN -0.021 nan 8.300 nan 0.000 0.555 632 I N 0.828 121.464 120.570 0.111 0.000 2.300 632 I HA -0.386 3.784 4.170 -0.001 0.000 0.252 632 I C 1.710 177.845 176.117 0.029 0.000 1.119 632 I CA 1.517 62.849 61.300 0.052 0.000 1.384 632 I CB -0.024 37.989 38.000 0.022 0.000 1.062 632 I HN 0.192 nan 8.210 nan 0.000 0.426 633 N N 0.495 119.215 118.700 0.034 0.000 2.396 633 N HA -0.027 4.713 4.740 -0.001 0.000 0.180 633 N C 0.085 175.580 175.510 -0.026 0.000 1.028 633 N CA 0.634 53.690 53.050 0.009 0.000 0.893 633 N CB 0.063 38.561 38.487 0.017 0.000 0.967 633 N HN 0.217 nan 8.380 nan 0.000 0.440 634 S N 0.273 115.944 115.700 -0.047 0.000 2.640 634 S HA 0.291 4.761 4.470 -0.001 0.000 0.320 634 S C 1.008 175.443 174.600 -0.276 0.000 1.097 634 S CA -0.822 57.247 58.200 -0.219 0.000 1.092 634 S CB 2.861 65.861 63.200 -0.334 0.000 0.988 634 S HN 0.239 nan 8.310 nan 0.000 0.470 635 R N 3.149 123.514 120.500 -0.224 0.000 2.070 635 R HA -0.171 4.169 4.340 -0.001 0.000 0.233 635 R C 2.221 178.427 176.300 -0.157 0.000 1.137 635 R CA 2.264 58.283 56.100 -0.136 0.000 0.945 635 R CB -0.657 29.606 30.300 -0.062 0.000 0.845 635 R HN 0.900 nan 8.270 nan 0.000 0.430 636 H N -0.447 118.572 119.070 -0.084 0.000 2.353 636 H HA -0.075 4.480 4.556 -0.001 0.000 0.298 636 H C 1.493 176.716 175.328 -0.176 0.000 1.103 636 H CA 1.053 57.036 56.048 -0.109 0.000 1.293 636 H CB -0.318 29.382 29.762 -0.103 0.000 1.372 636 H HN 0.146 nan 8.280 nan 0.000 0.501 637 R N 0.857 121.217 120.500 -0.234 0.000 2.127 637 R HA -0.045 4.295 4.340 -0.001 0.000 0.238 637 R C 2.619 178.699 176.300 -0.367 0.000 1.134 637 R CA 1.043 56.880 56.100 -0.438 0.000 0.975 637 R CB -0.531 28.966 30.300 -1.339 0.000 0.865 637 R HN 0.484 nan 8.270 nan 0.000 0.447 638 I N 0.032 120.477 120.570 -0.208 0.000 2.233 638 I HA -0.203 3.966 4.170 -0.001 0.000 0.243 638 I C 2.376 178.481 176.117 -0.020 0.000 1.093 638 I CA 1.077 62.352 61.300 -0.041 0.000 1.380 638 I CB -0.146 37.855 38.000 0.002 0.000 1.067 638 I HN 0.032 nan 8.210 nan 0.000 0.413 639 I N -0.496 120.062 120.570 -0.021 0.000 2.333 639 I HA -0.243 3.926 4.170 -0.001 0.000 0.246 639 I C 2.731 178.856 176.117 0.013 0.000 1.106 639 I CA 0.868 62.170 61.300 0.003 0.000 1.411 639 I CB -0.084 37.919 38.000 0.006 0.000 1.082 639 I HN 0.207 nan 8.210 nan 0.000 0.420 640 S N 0.985 116.688 115.700 0.004 0.000 2.365 640 S HA -0.231 4.239 4.470 -0.001 0.000 0.221 640 S C 2.107 176.725 174.600 0.030 0.000 1.037 640 S CA 2.368 60.575 58.200 0.012 0.000 1.060 640 S CB -0.393 62.803 63.200 -0.008 0.000 0.974 640 S HN 0.575 nan 8.310 nan 0.000 0.427 641 S N 0.755 116.457 115.700 0.003 0.000 2.595 641 S HA 0.144 4.613 4.470 -0.001 0.000 0.235 641 S C 1.550 176.191 174.600 0.069 0.000 0.974 641 S CA 0.496 58.718 58.200 0.037 0.000 0.942 641 S CB -0.437 62.785 63.200 0.037 0.000 0.766 641 S HN 0.535 nan 8.310 nan 0.000 0.536 642 L N -0.366 120.896 121.223 0.064 0.000 2.463 642 L HA 0.243 4.582 4.340 -0.001 0.000 0.219 642 L C 2.434 179.399 176.870 0.159 0.000 1.088 642 L CA 0.487 55.384 54.840 0.094 0.000 0.849 642 L CB -0.043 42.044 42.059 0.047 0.000 1.012 642 L HN 0.252 nan 8.230 nan 0.000 0.468 643 K N -0.402 120.069 120.400 0.119 0.000 2.128 643 K HA -0.056 4.263 4.320 -0.001 0.000 0.202 643 K C 1.982 178.667 176.600 0.142 0.000 1.050 643 K CA 0.613 56.970 56.287 0.117 0.000 0.966 643 K CB 0.088 32.636 32.500 0.081 0.000 0.759 643 K HN 0.220 nan 8.250 nan 0.000 0.454 644 Q N 0.199 120.086 119.800 0.145 0.000 2.029 644 Q HA -0.232 4.108 4.340 -0.001 0.000 0.209 644 Q C 1.962 178.008 176.000 0.076 0.000 0.999 644 Q CA 2.174 58.053 55.803 0.126 0.000 0.857 644 Q CB -0.283 28.481 28.738 0.044 0.000 0.926 644 Q HN 0.293 nan 8.270 nan 0.000 0.415 645 F N 0.744 120.677 119.950 -0.028 0.000 2.234 645 F HA -0.170 4.357 4.527 -0.001 0.000 0.299 645 F C 2.068 177.892 175.800 0.040 0.000 1.087 645 F CA 1.445 59.433 58.000 -0.020 0.000 1.340 645 F CB -0.039 38.945 39.000 -0.028 0.000 1.031 645 F HN -0.054 nan 8.300 nan 0.000 0.500 646 T N 0.320 114.961 114.554 0.146 0.000 2.812 646 T HA -0.075 4.275 4.350 -0.001 0.000 0.264 646 T C 1.672 176.378 174.700 0.010 0.000 1.042 646 T CA 0.559 62.695 62.100 0.061 0.000 1.140 646 T CB -0.207 68.757 68.868 0.159 0.000 0.870 646 T HN -0.018 nan 8.240 nan 0.000 0.445 647 R N 1.458 121.993 120.500 0.059 0.000 2.849 647 R HA 0.223 4.562 4.340 -0.001 0.000 0.238 647 R C 0.115 176.490 176.300 0.125 0.000 1.403 647 R CA 0.064 56.226 56.100 0.103 0.000 1.303 647 R CB -0.774 29.598 30.300 0.121 0.000 1.191 647 R HN 0.239 nan 8.270 nan 0.000 0.533 648 V N -0.737 119.209 119.914 0.054 0.000 4.472 648 V HA -0.015 4.105 4.120 -0.001 0.000 0.397 648 V C 1.340 177.422 176.094 -0.019 0.000 1.823 648 V CA -0.208 62.148 62.300 0.094 0.000 1.781 648 V CB 0.077 31.829 31.823 -0.119 0.000 1.044 648 V HN 0.144 nan 8.190 nan 0.000 0.401 649 I N 1.405 121.851 120.570 -0.208 0.000 2.142 649 I HA -0.246 3.924 4.170 -0.001 0.000 0.240 649 I C 2.697 178.755 176.117 -0.099 0.000 1.078 649 I CA 2.403 63.534 61.300 -0.282 0.000 1.343 649 I CB -0.356 37.520 38.000 -0.207 0.000 1.046 649 I HN 0.459 nan 8.210 nan 0.000 0.405 650 R N 1.142 121.485 120.500 -0.262 0.000 2.139 650 R HA -0.214 4.126 4.340 -0.001 0.000 0.243 650 R C 2.050 178.120 176.300 -0.384 0.000 1.145 650 R CA 1.958 57.633 56.100 -0.707 0.000 0.976 650 R CB -1.020 28.360 30.300 -1.533 0.000 0.866 650 R HN 0.246 nan 8.270 nan 0.000 0.449 651 F N 1.040 120.987 119.950 -0.006 0.000 2.367 651 F HA 0.158 4.685 4.527 -0.001 0.000 0.298 651 F C 2.247 178.200 175.800 0.255 0.000 1.094 651 F CA 0.517 58.599 58.000 0.137 0.000 1.409 651 F CB -0.053 39.048 39.000 0.169 0.000 1.064 651 F HN -0.108 nan 8.300 nan 0.000 0.528 652 I N -0.491 120.337 120.570 0.430 0.000 2.439 652 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 652 I C 1.964 178.301 176.117 0.367 0.000 1.139 652 I CA 0.674 62.213 61.300 0.399 0.000 1.438 652 I CB -0.409 37.798 38.000 0.345 0.000 1.085 652 I HN -0.084 nan 8.210 nan 0.000 0.427 653 V N 0.962 121.076 119.914 0.332 0.000 3.140 653 V HA -0.231 3.888 4.120 -0.001 0.000 0.269 653 V C 2.111 178.484 176.094 0.465 0.000 1.149 653 V CA 1.120 63.699 62.300 0.466 0.000 1.162 653 V CB -0.699 31.305 31.823 0.302 0.000 0.756 653 V HN 0.378 nan 8.190 nan 0.000 0.523 654 M N -1.048 118.734 119.600 0.304 0.000 2.508 654 M HA 0.204 4.684 4.480 -0.001 0.000 0.238 654 M C 0.983 177.361 176.300 0.130 0.000 1.210 654 M CA 0.373 55.798 55.300 0.208 0.000 1.231 654 M CB -0.970 31.716 32.600 0.144 0.000 1.201 654 M HN 0.222 nan 8.290 nan 0.000 0.491 655 D N 3.920 124.376 120.400 0.094 0.000 2.819 655 D HA -0.127 4.512 4.640 -0.001 0.000 0.236 655 D C 0.717 177.008 176.300 -0.016 0.000 1.181 655 D CA 0.425 54.429 54.000 0.006 0.000 0.855 655 D CB 0.651 41.421 40.800 -0.051 0.000 1.146 655 D HN 0.425 nan 8.370 nan 0.000 0.540 656 K N 3.014 123.366 120.400 -0.080 0.000 2.585 656 K HA -0.167 4.152 4.320 -0.001 0.000 0.194 656 K C 1.603 178.122 176.600 -0.135 0.000 1.037 656 K CA 0.386 56.595 56.287 -0.130 0.000 0.964 656 K CB 0.104 32.492 32.500 -0.186 0.000 0.787 656 K HN 0.319 nan 8.250 nan 0.000 0.488 657 L N -0.036 121.070 121.223 -0.195 0.000 2.187 657 L HA 0.084 4.424 4.340 -0.001 0.000 0.197 657 L C 1.936 178.707 176.870 -0.164 0.000 1.090 657 L CA 1.040 55.716 54.840 -0.273 0.000 0.781 657 L CB -0.642 41.107 42.059 -0.517 0.000 0.956 657 L HN 0.107 nan 8.230 nan 0.000 0.463 658 Y N 0.983 121.325 120.300 0.068 0.000 2.114 658 Y HA -0.330 4.220 4.550 -0.001 0.000 0.282 658 Y C 2.588 178.629 175.900 0.236 0.000 1.165 658 Y CA 1.684 59.900 58.100 0.193 0.000 1.148 658 Y CB -0.657 37.913 38.460 0.185 0.000 0.972 658 Y HN 0.270 nan 8.280 nan 0.000 0.504 659 R N 0.097 120.847 120.500 0.416 0.000 2.198 659 R HA -0.218 4.122 4.340 -0.001 0.000 0.258 659 R C 1.862 178.426 176.300 0.440 0.000 1.173 659 R CA 1.798 58.220 56.100 0.536 0.000 0.991 659 R CB -1.726 28.906 30.300 0.554 0.000 0.879 659 R HN 0.210 nan 8.270 nan 0.000 0.460 660 V N 1.356 121.415 119.914 0.242 0.000 2.287 660 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 660 V C 2.269 178.488 176.094 0.208 0.000 1.053 660 V CA 2.164 64.528 62.300 0.106 0.000 1.027 660 V CB -0.699 31.096 31.823 -0.048 0.000 0.646 660 V HN 0.456 nan 8.190 nan 0.000 0.447 661 H N -0.807 118.484 119.070 0.368 0.000 2.457 661 H HA -0.052 4.504 4.556 -0.001 0.000 0.297 661 H C 2.274 177.822 175.328 0.366 0.000 1.092 661 H CA 1.392 57.678 56.048 0.397 0.000 1.309 661 H CB -0.289 29.750 29.762 0.461 0.000 1.382 661 H HN 0.378 nan 8.280 nan 0.000 0.535 662 I N 0.801 121.682 120.570 0.519 0.000 2.394 662 I HA -0.216 3.953 4.170 -0.001 0.000 0.251 662 I C 2.049 178.388 176.117 0.369 0.000 1.136 662 I CA 1.289 62.870 61.300 0.468 0.000 1.425 662 I CB -0.194 38.113 38.000 0.512 0.000 1.079 662 I HN 0.292 nan 8.210 nan 0.000 0.425 663 T N -0.178 114.591 114.554 0.357 0.000 2.708 663 T HA -0.191 4.158 4.350 -0.001 0.000 0.266 663 T C 1.704 176.506 174.700 0.169 0.000 1.037 663 T CA 1.597 63.828 62.100 0.218 0.000 1.146 663 T CB -0.563 68.373 68.868 0.114 0.000 0.865 663 T HN 0.250 nan 8.240 nan 0.000 0.435 664 N N 1.253 120.113 118.700 0.267 0.000 2.025 664 N HA -0.103 4.637 4.740 -0.001 0.000 0.194 664 N C 1.838 177.428 175.510 0.133 0.000 1.044 664 N CA 1.276 54.459 53.050 0.222 0.000 0.851 664 N CB -0.907 37.842 38.487 0.436 0.000 1.036 664 N HN 0.198 nan 8.380 nan 0.000 0.422 665 V N 0.764 120.753 119.914 0.125 0.000 2.546 665 V HA -0.197 3.923 4.120 -0.001 0.000 0.254 665 V C 2.274 178.348 176.094 -0.033 0.000 1.076 665 V CA 1.418 63.677 62.300 -0.068 0.000 1.087 665 V CB -0.542 31.158 31.823 -0.205 0.000 0.674 665 V HN 0.350 nan 8.190 nan 0.000 0.470 666 L N 0.734 122.003 121.223 0.075 0.000 2.034 666 L HA -0.074 4.265 4.340 -0.001 0.000 0.203 666 L C 2.695 179.603 176.870 0.063 0.000 1.074 666 L CA 2.365 57.257 54.840 0.088 0.000 0.748 666 L CB -0.672 41.476 42.059 0.148 0.000 0.905 666 L HN 0.410 nan 8.230 nan 0.000 0.439 667 S N -1.104 114.627 115.700 0.052 0.000 2.500 667 S HA -0.201 4.268 4.470 -0.001 0.000 0.239 667 S C 1.871 176.479 174.600 0.014 0.000 0.989 667 S CA 1.394 59.611 58.200 0.028 0.000 0.951 667 S CB -0.605 62.573 63.200 -0.037 0.000 0.759 667 S HN 0.536 nan 8.310 nan 0.000 0.523 668 M N 0.416 120.020 119.600 0.006 0.000 2.248 668 M HA 0.183 4.663 4.480 -0.001 0.000 0.265 668 M C 2.062 178.358 176.300 -0.007 0.000 1.079 668 M CA 1.019 56.316 55.300 -0.005 0.000 1.150 668 M CB -0.316 32.275 32.600 -0.015 0.000 1.366 668 M HN 0.321 nan 8.290 nan 0.000 0.433 669 L N -0.629 120.586 121.223 -0.013 0.000 1.989 669 L HA -0.215 4.125 4.340 -0.001 0.000 0.211 669 L C 2.419 179.316 176.870 0.046 0.000 1.071 669 L CA 1.122 55.962 54.840 0.000 0.000 0.749 669 L CB -0.935 41.127 42.059 0.005 0.000 0.890 669 L HN 0.134 nan 8.230 nan 0.000 0.431 670 V N 0.229 120.193 119.914 0.083 0.000 2.252 670 V HA -0.329 3.791 4.120 -0.001 0.000 0.249 670 V C 2.760 178.909 176.094 0.091 0.000 1.056 670 V CA 2.300 64.684 62.300 0.139 0.000 1.022 670 V CB -0.728 31.212 31.823 0.196 0.000 0.641 670 V HN 0.671 nan 8.190 nan 0.000 0.445 671 S N -0.653 115.083 115.700 0.060 0.000 2.428 671 S HA -0.136 4.334 4.470 -0.001 0.000 0.230 671 S C 1.688 176.300 174.600 0.020 0.000 1.014 671 S CA 0.983 59.205 58.200 0.037 0.000 0.957 671 S CB -0.375 62.840 63.200 0.025 0.000 0.784 671 S HN 0.612 nan 8.310 nan 0.000 0.499 672 K N 0.889 121.299 120.400 0.016 0.000 2.504 672 K HA 0.302 4.622 4.320 -0.001 0.000 0.199 672 K C -0.475 176.129 176.600 0.007 0.000 1.028 672 K CA -0.164 56.127 56.287 0.006 0.000 1.164 672 K CB -0.179 32.320 32.500 -0.003 0.000 0.877 672 K HN 0.449 nan 8.250 nan 0.000 0.508 673 L N 2.168 123.398 121.223 0.012 0.000 2.485 673 L HA 0.041 4.381 4.340 -0.001 0.000 0.279 673 L C 0.363 177.227 176.870 -0.011 0.000 1.124 673 L CA -0.144 54.699 54.840 0.005 0.000 0.888 673 L CB 0.084 42.145 42.059 0.005 0.000 1.217 673 L HN 0.053 nan 8.230 nan 0.000 0.464 674 D N 3.390 123.783 120.400 -0.012 0.000 2.304 674 D HA 0.149 4.789 4.640 -0.001 0.000 0.247 674 D C 0.606 176.889 176.300 -0.027 0.000 1.089 674 D CA -0.205 53.784 54.000 -0.017 0.000 0.910 674 D CB 1.352 42.144 40.800 -0.014 0.000 1.199 674 D HN 0.365 nan 8.370 nan 0.000 0.426 675 M N 1.973 121.554 119.600 -0.031 0.000 2.333 675 M HA 0.094 4.573 4.480 -0.001 0.000 0.257 675 M C 0.697 176.975 176.300 -0.038 0.000 1.078 675 M CA 0.069 55.344 55.300 -0.041 0.000 1.005 675 M CB -0.074 32.498 32.600 -0.045 0.000 1.444 675 M HN 0.313 nan 8.290 nan 0.000 0.496 676 N N 0.154 118.836 118.700 -0.029 0.000 2.463 676 N HA 0.001 4.741 4.740 -0.001 0.000 0.183 676 N C -0.052 175.444 175.510 -0.023 0.000 1.064 676 N CA 0.392 53.426 53.050 -0.026 0.000 0.879 676 N CB 0.861 39.335 38.487 -0.022 0.000 1.148 676 N HN 0.181 nan 8.380 nan 0.000 0.451 677 D N 1.098 121.486 120.400 -0.020 0.000 2.441 677 D HA 0.149 4.788 4.640 -0.001 0.000 0.221 677 D C 0.799 177.089 176.300 -0.018 0.000 1.156 677 D CA 0.060 54.050 54.000 -0.017 0.000 0.896 677 D CB 1.025 41.817 40.800 -0.013 0.000 1.028 677 D HN -0.084 nan 8.370 nan 0.000 0.509 678 T N 2.560 117.103 114.554 -0.020 0.000 2.720 678 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 678 T C 1.644 176.336 174.700 -0.014 0.000 1.037 678 T CA 1.102 63.190 62.100 -0.020 0.000 1.144 678 T CB -0.016 68.839 68.868 -0.021 0.000 0.864 678 T HN 0.491 nan 8.240 nan 0.000 0.444 679 N N 0.310 119.003 118.700 -0.011 0.000 2.106 679 N HA -0.030 4.709 4.740 -0.001 0.000 0.188 679 N C 2.135 177.644 175.510 -0.002 0.000 1.029 679 N CA 0.949 53.995 53.050 -0.007 0.000 0.848 679 N CB -0.178 38.304 38.487 -0.007 0.000 1.007 679 N HN 0.345 nan 8.380 nan 0.000 0.423 680 L N 1.071 122.292 121.223 -0.003 0.000 2.042 680 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 680 L C 2.095 178.968 176.870 0.005 0.000 1.076 680 L CA 1.376 56.217 54.840 0.001 0.000 0.749 680 L CB -0.598 41.461 42.059 -0.002 0.000 0.893 680 L HN 0.172 nan 8.230 nan 0.000 0.432 681 T N -1.311 113.243 114.554 0.001 0.000 2.746 681 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 681 T C 2.059 176.766 174.700 0.013 0.000 1.039 681 T CA 1.566 63.668 62.100 0.004 0.000 1.142 681 T CB -0.165 68.697 68.868 -0.009 0.000 0.866 681 T HN 0.436 nan 8.240 nan 0.000 0.444 682 S N 1.132 116.836 115.700 0.008 0.000 2.382 682 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 682 S C 1.978 176.593 174.600 0.025 0.000 1.027 682 S CA 0.894 59.102 58.200 0.013 0.000 0.991 682 S CB -0.368 62.835 63.200 0.005 0.000 0.823 682 S HN 0.387 nan 8.310 nan 0.000 0.469 683 N N 0.775 119.490 118.700 0.025 0.000 2.463 683 N HA 0.138 4.878 4.740 -0.001 0.000 0.181 683 N C 1.497 177.037 175.510 0.050 0.000 1.078 683 N CA 0.352 53.425 53.050 0.037 0.000 0.902 683 N CB -0.044 38.461 38.487 0.030 0.000 0.970 683 N HN 0.426 nan 8.380 nan 0.000 0.451 684 L N 0.268 121.517 121.223 0.043 0.000 2.145 684 L HA 0.020 4.360 4.340 -0.001 0.000 0.201 684 L C 1.944 178.857 176.870 0.073 0.000 1.075 684 L CA 0.432 55.302 54.840 0.050 0.000 0.773 684 L CB -0.219 41.863 42.059 0.037 0.000 0.936 684 L HN 0.019 nan 8.230 nan 0.000 0.451 685 I N 0.753 121.364 120.570 0.069 0.000 2.248 685 I HA -0.324 3.845 4.170 -0.001 0.000 0.248 685 I C 2.208 178.367 176.117 0.072 0.000 1.107 685 I CA 1.435 62.783 61.300 0.080 0.000 1.373 685 I CB -1.467 36.573 38.000 0.066 0.000 1.055 685 I HN 0.349 nan 8.210 nan 0.000 0.418 686 N N 1.229 119.970 118.700 0.068 0.000 2.036 686 N HA -0.161 4.578 4.740 -0.001 0.000 0.195 686 N C 1.991 177.565 175.510 0.107 0.000 1.037 686 N CA 1.834 54.929 53.050 0.075 0.000 0.855 686 N CB -0.891 37.642 38.487 0.076 0.000 1.033 686 N HN 0.454 nan 8.380 nan 0.000 0.423 687 G N 1.060 109.948 108.800 0.146 0.000 2.453 687 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.215 687 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.215 687 G C 1.642 176.651 174.900 0.181 0.000 1.201 687 G CA 0.671 45.910 45.100 0.233 0.000 0.784 687 G HN 0.289 nan 8.290 nan 0.000 0.545 688 I N 0.212 120.856 120.570 0.123 0.000 2.194 688 I HA -0.199 3.970 4.170 -0.001 0.000 0.246 688 I C 2.694 178.824 176.117 0.021 0.000 1.093 688 I CA 0.876 62.222 61.300 0.078 0.000 1.355 688 I CB -0.333 37.719 38.000 0.086 0.000 1.046 688 I HN 0.119 nan 8.210 nan 0.000 0.413 689 V N -0.501 119.423 119.914 0.015 0.000 2.548 689 V HA -0.200 3.920 4.120 -0.001 0.000 0.249 689 V C 2.460 178.511 176.094 -0.072 0.000 1.055 689 V CA 2.046 64.319 62.300 -0.045 0.000 1.065 689 V CB 0.203 32.005 31.823 -0.035 0.000 0.681 689 V HN 0.358 nan 8.190 nan 0.000 0.462 690 S N -0.030 115.672 115.700 0.005 0.000 2.368 690 S HA -0.033 4.437 4.470 -0.001 0.000 0.224 690 S C 1.754 176.400 174.600 0.077 0.000 1.029 690 S CA 1.652 59.876 58.200 0.041 0.000 0.988 690 S CB -0.266 63.020 63.200 0.142 0.000 0.838 690 S HN 0.589 nan 8.310 nan 0.000 0.462 691 I N 1.427 122.051 120.570 0.090 0.000 2.361 691 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 691 I C 2.422 178.509 176.117 -0.049 0.000 1.133 691 I CA 1.079 62.425 61.300 0.076 0.000 1.413 691 I CB -0.302 37.775 38.000 0.128 0.000 1.073 691 I HN 0.267 nan 8.210 nan 0.000 0.424 692 A N 0.288 123.040 122.820 -0.112 0.000 2.021 692 A HA 0.183 4.502 4.320 -0.001 0.000 0.216 692 A C 2.449 179.874 177.584 -0.266 0.000 1.163 692 A CA 1.012 52.931 52.037 -0.197 0.000 0.676 692 A CB -0.375 18.499 19.000 -0.211 0.000 0.818 692 A HN 0.367 nan 8.150 nan 0.000 0.453 693 A N -1.296 121.308 122.820 -0.361 0.000 2.066 693 A HA 0.209 4.529 4.320 -0.001 0.000 0.218 693 A C 1.159 178.310 177.584 -0.721 0.000 1.157 693 A CA 0.851 52.520 52.037 -0.613 0.000 0.670 693 A CB -0.475 18.005 19.000 -0.867 0.000 0.804 693 A HN 0.500 nan 8.150 nan 0.000 0.453 694 F N -1.153 118.712 119.950 -0.142 0.000 2.764 694 F HA 0.532 5.059 4.527 -0.001 0.000 0.310 694 F C -0.136 175.544 175.800 -0.200 0.000 1.124 694 F CA -0.188 57.732 58.000 -0.133 0.000 1.252 694 F CB 0.638 39.578 39.000 -0.099 0.000 1.010 694 F HN -0.082 nan 8.300 nan 0.000 0.518 695 I N 1.453 121.927 120.570 -0.159 0.000 2.752 695 I HA 0.315 4.485 4.170 -0.001 0.000 0.295 695 I C -2.791 173.171 176.117 -0.258 0.000 1.219 695 I CA -2.154 58.895 61.300 -0.420 0.000 1.030 695 I CB 3.443 41.054 38.000 -0.649 0.000 1.259 695 I HN -0.251 nan 8.210 nan 0.000 0.423 696 P HA 0.340 nan 4.420 nan 0.000 0.297 696 P C -0.593 176.611 177.300 -0.160 0.000 1.331 696 P CA -0.474 62.633 63.100 0.013 0.000 0.803 696 P CB 0.766 32.638 31.700 0.286 0.000 0.929 697 I N 3.512 123.840 120.570 -0.404 0.000 2.453 697 I HA 0.110 4.279 4.170 -0.001 0.000 0.300 697 I C 0.774 176.675 176.117 -0.360 0.000 1.159 697 I CA 1.048 61.794 61.300 -0.924 0.000 1.379 697 I CB -0.952 36.571 38.000 -0.796 0.000 1.460 697 I HN 0.260 nan 8.210 nan 0.000 0.601 698 Q N 3.062 122.845 119.800 -0.027 0.000 2.309 698 Q HA 0.236 4.576 4.340 -0.001 0.000 0.273 698 Q C -1.267 174.966 176.000 0.389 0.000 1.040 698 Q CA -0.920 55.016 55.803 0.221 0.000 0.834 698 Q CB 2.503 31.366 28.738 0.209 0.000 1.345 698 Q HN 0.312 nan 8.270 nan 0.000 0.414 699 D N 2.757 123.326 120.400 0.281 0.000 2.338 699 D HA 0.138 4.777 4.640 -0.001 0.000 0.255 699 D C 0.170 176.573 176.300 0.172 0.000 1.237 699 D CA 0.285 54.419 54.000 0.224 0.000 0.883 699 D CB 0.644 41.541 40.800 0.161 0.000 1.087 699 D HN 0.466 nan 8.370 nan 0.000 0.485 700 L N 3.083 124.405 121.223 0.164 0.000 2.700 700 L HA 0.122 4.462 4.340 -0.001 0.000 0.234 700 L C 0.721 177.646 176.870 0.092 0.000 1.156 700 L CA -0.097 54.822 54.840 0.132 0.000 0.946 700 L CB -0.272 41.880 42.059 0.154 0.000 1.216 700 L HN 0.378 nan 8.230 nan 0.000 0.493 701 T N -2.626 111.977 114.554 0.081 0.000 2.780 701 T HA 0.283 4.633 4.350 -0.001 0.000 0.294 701 T C 1.204 175.938 174.700 0.056 0.000 0.949 701 T CA -0.361 61.776 62.100 0.063 0.000 1.074 701 T CB 1.717 70.619 68.868 0.057 0.000 0.910 701 T HN 0.234 nan 8.240 nan 0.000 0.501 702 G N 1.555 110.383 108.800 0.047 0.000 3.234 702 G HA2 0.161 4.121 3.960 -0.001 0.000 0.221 702 G HA3 0.161 4.121 3.960 -0.001 0.000 0.221 702 G C 0.726 175.648 174.900 0.036 0.000 1.229 702 G CA -0.279 44.845 45.100 0.039 0.000 0.909 702 G HN 0.849 nan 8.290 nan 0.000 0.510 703 E N 0.082 120.307 120.200 0.040 0.000 4.028 703 E HA -0.151 4.199 4.350 -0.001 0.000 0.343 703 E C -0.309 176.313 176.600 0.037 0.000 0.700 703 E CA 0.748 57.170 56.400 0.037 0.000 1.288 703 E CB -1.541 28.177 29.700 0.031 0.000 1.677 703 E HN 0.562 nan 8.360 nan 0.000 0.424 704 D N 1.597 122.021 120.400 0.041 0.000 2.772 704 D HA -0.101 4.539 4.640 -0.001 0.000 0.227 704 D C 1.080 177.416 176.300 0.060 0.000 1.114 704 D CA 0.449 54.478 54.000 0.049 0.000 0.832 704 D CB 0.373 41.205 40.800 0.052 0.000 1.154 704 D HN 0.100 nan 8.370 nan 0.000 0.514 705 D N 1.288 121.718 120.400 0.051 0.000 2.144 705 D HA -0.194 4.445 4.640 -0.001 0.000 0.199 705 D C 1.672 178.007 176.300 0.058 0.000 0.984 705 D CA 0.874 54.892 54.000 0.030 0.000 0.834 705 D CB -0.065 40.726 40.800 -0.015 0.000 0.955 705 D HN 0.484 nan 8.370 nan 0.000 0.465 706 Y N 2.069 122.367 120.300 -0.002 0.000 2.224 706 Y HA -0.140 4.409 4.550 -0.001 0.000 0.289 706 Y C 1.809 177.706 175.900 -0.006 0.000 1.146 706 Y CA 0.315 58.411 58.100 -0.006 0.000 1.182 706 Y CB -0.373 38.079 38.460 -0.013 0.000 0.983 706 Y HN -0.004 nan 8.280 nan 0.000 0.524 707 I N -1.276 119.406 120.570 0.187 0.000 4.907 707 I HA -0.526 3.644 4.170 -0.001 0.000 0.038 707 I C 0.941 177.118 176.117 0.101 0.000 0.635 707 I CA 1.336 62.699 61.300 0.105 0.000 0.262 707 I CB -1.997 36.050 38.000 0.078 0.000 0.348 707 I HN 0.352 nan 8.210 nan 0.000 0.162 708 S N -0.298 115.458 115.700 0.093 0.000 3.533 708 S HA -0.274 4.196 4.470 -0.001 0.000 0.857 708 S C 0.092 174.752 174.600 0.100 0.000 1.229 708 S CA 0.707 58.970 58.200 0.105 0.000 0.814 708 S CB -1.095 62.170 63.200 0.109 0.000 0.573 708 S HN 1.250 nan 8.310 nan 0.000 0.283 709 F N 2.566 122.520 119.950 0.005 0.000 2.075 709 F HA 0.085 4.611 4.527 -0.001 0.000 0.297 709 F C 1.510 177.315 175.800 0.010 0.000 1.113 709 F CA 1.903 59.900 58.000 -0.005 0.000 1.218 709 F CB -0.236 38.755 39.000 -0.015 0.000 0.984 709 F HN 0.861 nan 8.300 nan 0.000 0.472 710 E N -0.300 119.987 120.200 0.145 0.000 2.405 710 E HA 0.233 4.583 4.350 -0.001 0.000 0.253 710 E C 1.125 177.723 176.600 -0.004 0.000 1.257 710 E CA 0.687 57.110 56.400 0.038 0.000 0.960 710 E CB 0.490 30.259 29.700 0.116 0.000 1.077 710 E HN 0.212 nan 8.360 nan 0.000 0.512 711 S N -1.065 114.635 115.700 0.000 0.000 1.799 711 S HA -0.304 4.166 4.470 -0.001 0.000 0.230 711 S C 0.755 175.298 174.600 -0.095 0.000 0.932 711 S CA 2.070 60.280 58.200 0.016 0.000 1.516 711 S CB -1.207 62.075 63.200 0.136 0.000 1.962 711 S HN 0.715 nan 8.310 nan 0.000 0.542 712 D N -1.355 118.961 120.400 -0.140 0.000 2.602 712 D HA 0.246 4.885 4.640 -0.001 0.000 0.284 712 D C 1.841 177.998 176.300 -0.238 0.000 1.065 712 D CA 1.029 54.904 54.000 -0.208 0.000 0.923 712 D CB 0.131 40.827 40.800 -0.173 0.000 1.373 712 D HN 0.432 nan 8.370 nan 0.000 0.492 713 T N 0.298 114.631 114.554 -0.367 0.000 2.980 713 T HA 0.128 4.477 4.350 -0.001 0.000 0.239 713 T C 1.945 176.382 174.700 -0.438 0.000 1.011 713 T CA -0.047 61.766 62.100 -0.479 0.000 1.171 713 T CB -0.301 68.063 68.868 -0.840 0.000 0.873 713 T HN -0.033 nan 8.240 nan 0.000 0.431 714 L N 1.540 122.394 121.223 -0.615 0.000 1.997 714 L HA -0.118 4.221 4.340 -0.001 0.000 0.216 714 L C -0.759 176.062 176.870 -0.083 0.000 1.074 714 L CA 1.937 56.622 54.840 -0.258 0.000 0.763 714 L CB -1.057 40.954 42.059 -0.079 0.000 0.890 714 L HN 0.198 nan 8.230 nan 0.000 0.434 715 P HA -0.239 nan 4.420 nan 0.000 0.216 715 P C 1.869 179.176 177.300 0.012 0.000 1.153 715 P CA 1.461 64.545 63.100 -0.027 0.000 0.858 715 P CB -0.007 31.663 31.700 -0.050 0.000 0.789 716 L N -0.637 120.582 121.223 -0.006 0.000 2.027 716 L HA -0.120 4.220 4.340 -0.001 0.000 0.206 716 L C 2.128 179.094 176.870 0.160 0.000 1.074 716 L CA 1.697 56.577 54.840 0.067 0.000 0.745 716 L CB -0.767 41.298 42.059 0.010 0.000 0.898 716 L HN -0.138 nan 8.230 nan 0.000 0.433 717 V N 0.279 120.274 119.914 0.134 0.000 2.324 717 V HA -0.366 3.753 4.120 -0.001 0.000 0.250 717 V C 2.521 178.768 176.094 0.254 0.000 1.060 717 V CA 2.076 64.556 62.300 0.300 0.000 1.042 717 V CB -0.659 31.328 31.823 0.274 0.000 0.650 717 V HN 0.565 nan 8.190 nan 0.000 0.450 718 Q N -0.778 119.105 119.800 0.138 0.000 2.119 718 Q HA -0.237 4.102 4.340 -0.001 0.000 0.201 718 Q C 2.382 178.527 176.000 0.242 0.000 0.972 718 Q CA 1.566 57.453 55.803 0.141 0.000 0.847 718 Q CB -0.179 28.611 28.738 0.087 0.000 0.903 718 Q HN 0.701 nan 8.270 nan 0.000 0.433 719 Q N -0.542 119.393 119.800 0.226 0.000 2.079 719 Q HA -0.208 4.131 4.340 -0.001 0.000 0.200 719 Q C 2.018 178.227 176.000 0.348 0.000 0.974 719 Q CA 1.250 57.220 55.803 0.279 0.000 0.840 719 Q CB -0.157 28.739 28.738 0.263 0.000 0.898 719 Q HN 0.410 nan 8.270 nan 0.000 0.430 720 H N 0.216 119.328 119.070 0.071 0.000 2.321 720 H HA -0.165 4.391 4.556 -0.001 0.000 0.300 720 H C 1.629 176.934 175.328 -0.038 0.000 1.087 720 H CA 1.545 57.340 56.048 -0.421 0.000 1.319 720 H CB -0.416 29.174 29.762 -0.288 0.000 1.379 720 H HN 0.236 nan 8.280 nan 0.000 0.501 721 F N 0.024 119.955 119.950 -0.031 0.000 2.075 721 F HA -0.182 4.344 4.527 -0.001 0.000 0.297 721 F C 2.413 178.226 175.800 0.022 0.000 1.113 721 F CA 1.740 59.669 58.000 -0.119 0.000 1.218 721 F CB -1.126 37.737 39.000 -0.229 0.000 0.984 721 F HN 0.222 nan 8.300 nan 0.000 0.472 722 Y N -0.053 120.256 120.300 0.015 0.000 2.102 722 Y HA -0.405 4.144 4.550 -0.001 0.000 0.280 722 Y C 2.781 178.650 175.900 -0.051 0.000 1.178 722 Y CA 2.438 60.517 58.100 -0.034 0.000 1.146 722 Y CB -0.830 37.682 38.460 0.087 0.000 0.968 722 Y HN 0.312 nan 8.280 nan 0.000 0.504 723 H N -0.738 118.459 119.070 0.212 0.000 2.293 723 H HA -0.196 4.360 4.556 -0.001 0.000 0.300 723 H C 2.072 177.407 175.328 0.011 0.000 1.082 723 H CA 2.427 58.587 56.048 0.186 0.000 1.308 723 H CB -0.478 29.444 29.762 0.267 0.000 1.375 723 H HN 0.367 nan 8.280 nan 0.000 0.495 724 I N 0.468 121.058 120.570 0.033 0.000 2.335 724 I HA -0.216 3.953 4.170 -0.001 0.000 0.251 724 I C 1.904 177.887 176.117 -0.223 0.000 1.129 724 I CA 1.267 62.529 61.300 -0.064 0.000 1.402 724 I CB -0.180 37.752 38.000 -0.114 0.000 1.069 724 I HN 0.147 nan 8.210 nan 0.000 0.424 725 K N -0.614 119.536 120.400 -0.417 0.000 2.228 725 K HA 0.094 4.413 4.320 -0.001 0.000 0.202 725 K C 1.591 177.999 176.600 -0.319 0.000 1.051 725 K CA 0.710 56.718 56.287 -0.466 0.000 0.960 725 K CB -0.514 31.567 32.500 -0.699 0.000 0.743 725 K HN 0.306 nan 8.250 nan 0.000 0.458 726 C N 0.358 119.473 119.300 -0.308 0.000 2.559 726 C HA 0.320 4.779 4.460 -0.001 0.000 0.300 726 C C 1.484 176.379 174.990 -0.157 0.000 1.288 726 C CA 0.179 59.050 59.018 -0.246 0.000 1.699 726 C CB -0.976 26.602 27.740 -0.271 0.000 1.819 726 C HN 0.677 nan 8.230 nan 0.000 0.600 727 G N 0.429 109.151 108.800 -0.131 0.000 2.308 727 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.221 727 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.221 727 G C 0.039 174.911 174.900 -0.047 0.000 1.032 727 G CA -0.294 44.765 45.100 -0.068 0.000 0.623 727 G HN 0.485 nan 8.290 nan 0.000 0.506 728 E N 1.451 121.579 120.200 -0.120 0.000 2.438 728 E HA 0.413 4.762 4.350 -0.001 0.000 0.261 728 E C 0.858 177.484 176.600 0.043 0.000 1.103 728 E CA 0.839 57.164 56.400 -0.125 0.000 0.959 728 E CB 1.282 30.650 29.700 -0.553 0.000 0.958 728 E HN 0.700 nan 8.360 nan 0.000 0.447 729 S N 0.048 115.862 115.700 0.190 0.000 2.767 729 S HA 0.280 4.749 4.470 -0.001 0.000 0.300 729 S C 0.828 175.669 174.600 0.402 0.000 1.123 729 S CA -0.547 57.853 58.200 0.334 0.000 0.992 729 S CB 1.616 65.072 63.200 0.427 0.000 1.138 729 S HN 0.275 nan 8.310 nan 0.000 0.550 730 S N 0.467 116.405 115.700 0.395 0.000 2.496 730 S HA 0.102 4.572 4.470 -0.001 0.000 0.224 730 S C 1.660 176.320 174.600 0.101 0.000 0.996 730 S CA 0.064 58.452 58.200 0.312 0.000 0.927 730 S CB -0.212 63.216 63.200 0.380 0.000 0.774 730 S HN 0.539 nan 8.310 nan 0.000 0.524 731 K N 1.404 121.740 120.400 -0.107 0.000 2.097 731 K HA 0.015 4.335 4.320 -0.001 0.000 0.205 731 K C 1.707 178.293 176.600 -0.024 0.000 1.050 731 K CA 1.141 57.319 56.287 -0.183 0.000 0.938 731 K CB -0.763 31.489 32.500 -0.412 0.000 0.718 731 K HN 0.342 nan 8.250 nan 0.000 0.442 732 T N 0.458 115.073 114.554 0.102 0.000 3.118 732 T HA -0.036 4.313 4.350 -0.001 0.000 0.260 732 T C 0.413 175.205 174.700 0.154 0.000 1.139 732 T CA -0.020 62.188 62.100 0.180 0.000 1.085 732 T CB -0.260 68.794 68.868 0.310 0.000 0.934 732 T HN -0.016 nan 8.240 nan 0.000 0.518 733 F N 3.993 123.870 119.950 -0.122 0.000 2.413 733 F HA 0.382 4.909 4.527 -0.001 0.000 0.359 733 F C 0.241 175.877 175.800 -0.274 0.000 1.122 733 F CA -1.460 56.293 58.000 -0.411 0.000 1.160 733 F CB 0.283 39.020 39.000 -0.438 0.000 1.146 733 F HN -0.288 nan 8.300 nan 0.000 0.514 734 R N 5.447 125.518 120.500 -0.716 0.000 2.255 734 R HA 0.617 4.957 4.340 -0.001 0.000 0.326 734 R C -1.319 174.546 176.300 -0.724 0.000 0.986 734 R CA -0.641 55.135 56.100 -0.541 0.000 0.847 734 R CB 1.591 31.700 30.300 -0.319 0.000 1.111 734 R HN 0.460 nan 8.270 nan 0.000 0.452 735 V N 2.033 121.625 119.914 -0.538 0.000 2.841 735 V HA 0.087 4.207 4.120 -0.001 0.000 0.310 735 V C -0.372 175.573 176.094 -0.248 0.000 1.090 735 V CA -1.078 60.974 62.300 -0.413 0.000 0.930 735 V CB 2.831 34.412 31.823 -0.403 0.000 1.014 735 V HN 0.594 nan 8.190 nan 0.000 0.425 736 D N 2.257 122.538 120.400 -0.199 0.000 2.533 736 D HA -0.018 4.621 4.640 -0.001 0.000 0.236 736 D C 1.095 177.314 176.300 -0.136 0.000 1.137 736 D CA 0.482 54.393 54.000 -0.148 0.000 0.867 736 D CB 0.909 41.632 40.800 -0.128 0.000 1.170 736 D HN 0.577 nan 8.370 nan 0.000 0.474 737 D N 2.706 123.033 120.400 -0.121 0.000 2.309 737 D HA -0.183 4.457 4.640 -0.001 0.000 0.212 737 D C 1.382 177.620 176.300 -0.104 0.000 0.968 737 D CA 0.751 54.682 54.000 -0.115 0.000 0.882 737 D CB 0.413 41.150 40.800 -0.105 0.000 0.918 737 D HN 0.582 nan 8.370 nan 0.000 0.503 738 E N 1.072 121.214 120.200 -0.096 0.000 2.016 738 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 738 E C 2.267 178.810 176.600 -0.096 0.000 0.985 738 E CA 0.618 56.967 56.400 -0.086 0.000 0.802 738 E CB -0.365 29.290 29.700 -0.076 0.000 0.762 738 E HN 0.170 nan 8.360 nan 0.000 0.448 739 L N 0.331 121.487 121.223 -0.111 0.000 2.083 739 L HA -0.111 4.229 4.340 -0.001 0.000 0.209 739 L C 2.541 179.346 176.870 -0.108 0.000 1.083 739 L CA 0.971 55.736 54.840 -0.125 0.000 0.752 739 L CB -0.481 41.498 42.059 -0.133 0.000 0.899 739 L HN 0.298 nan 8.230 nan 0.000 0.433 740 L N -0.616 120.546 121.223 -0.103 0.000 2.376 740 L HA -0.095 4.245 4.340 -0.001 0.000 0.219 740 L C 1.675 178.507 176.870 -0.063 0.000 1.133 740 L CA 1.542 56.331 54.840 -0.085 0.000 0.816 740 L CB -0.532 41.463 42.059 -0.106 0.000 0.933 740 L HN 0.180 nan 8.230 nan 0.000 0.449 741 N N -1.392 117.264 118.700 -0.073 0.000 2.356 741 N HA -0.036 4.704 4.740 -0.001 0.000 0.178 741 N C 1.425 176.932 175.510 -0.006 0.000 1.075 741 N CA 0.314 53.333 53.050 -0.052 0.000 0.889 741 N CB 0.039 38.468 38.487 -0.095 0.000 0.999 741 N HN 0.255 nan 8.380 nan 0.000 0.464 742 N N 0.495 119.168 118.700 -0.044 0.000 2.135 742 N HA -0.005 4.735 4.740 -0.001 0.000 0.186 742 N C 1.523 176.999 175.510 -0.058 0.000 1.027 742 N CA 1.208 54.224 53.050 -0.055 0.000 0.849 742 N CB -0.538 37.880 38.487 -0.116 0.000 1.002 742 N HN 0.290 nan 8.380 nan 0.000 0.425 743 A N 0.400 123.178 122.820 -0.071 0.000 1.902 743 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 743 A C 2.128 179.677 177.584 -0.059 0.000 1.181 743 A CA 1.043 53.023 52.037 -0.094 0.000 0.623 743 A CB -0.930 18.018 19.000 -0.086 0.000 0.818 743 A HN 0.318 nan 8.150 nan 0.000 0.443 744 F N 0.444 120.301 119.950 -0.156 0.000 2.113 744 F HA -0.073 4.453 4.527 -0.001 0.000 0.297 744 F C 2.184 177.879 175.800 -0.175 0.000 1.103 744 F CA 2.044 59.927 58.000 -0.195 0.000 1.248 744 F CB -0.119 38.729 39.000 -0.254 0.000 0.999 744 F HN 0.083 nan 8.300 nan 0.000 0.475 745 K N 0.084 120.530 120.400 0.078 0.000 2.057 745 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 745 K C 2.241 178.811 176.600 -0.050 0.000 1.050 745 K CA 1.088 57.387 56.287 0.020 0.000 0.935 745 K CB -0.513 32.034 32.500 0.078 0.000 0.715 745 K HN 0.326 nan 8.250 nan 0.000 0.439 746 A N 1.243 124.035 122.820 -0.046 0.000 2.015 746 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 746 A C 2.107 179.676 177.584 -0.024 0.000 1.163 746 A CA 1.911 53.928 52.037 -0.033 0.000 0.646 746 A CB -0.532 18.435 19.000 -0.055 0.000 0.806 746 A HN 0.369 nan 8.150 nan 0.000 0.448 747 S N 0.284 115.927 115.700 -0.095 0.000 2.423 747 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 747 S C 1.672 176.185 174.600 -0.144 0.000 1.014 747 S CA 1.825 60.011 58.200 -0.023 0.000 0.965 747 S CB -1.026 62.114 63.200 -0.101 0.000 0.785 747 S HN 0.745 nan 8.310 nan 0.000 0.495 748 T N -1.797 112.630 114.554 -0.212 0.000 3.317 748 T HA 0.143 4.492 4.350 -0.001 0.000 0.250 748 T C 1.306 175.886 174.700 -0.200 0.000 1.106 748 T CA 0.787 62.735 62.100 -0.253 0.000 0.986 748 T CB -0.242 68.671 68.868 0.074 0.000 1.010 748 T HN 0.386 nan 8.240 nan 0.000 0.560 749 T N 0.825 115.296 114.554 -0.138 0.000 2.939 749 T HA 0.030 4.379 4.350 -0.001 0.000 0.254 749 T C 1.816 176.460 174.700 -0.092 0.000 1.041 749 T CA 0.754 62.828 62.100 -0.043 0.000 1.142 749 T CB -0.404 68.481 68.868 0.029 0.000 0.874 749 T HN 0.294 nan 8.240 nan 0.000 0.452 750 V N 1.400 121.198 119.914 -0.193 0.000 3.186 750 V HA -0.026 4.094 4.120 -0.001 0.000 0.270 750 V C 1.960 178.009 176.094 -0.076 0.000 1.149 750 V CA 1.143 63.335 62.300 -0.179 0.000 1.160 750 V CB -1.542 30.094 31.823 -0.311 0.000 0.758 750 V HN 0.531 nan 8.190 nan 0.000 0.516 751 F N 0.303 120.284 119.950 0.052 0.000 2.192 751 F HA -0.299 4.228 4.527 -0.001 0.000 0.301 751 F C 2.632 178.490 175.800 0.096 0.000 1.079 751 F CA 1.926 59.967 58.000 0.069 0.000 1.303 751 F CB -0.165 38.884 39.000 0.083 0.000 1.024 751 F HN 0.179 nan 8.300 nan 0.000 0.494 752 Q N 0.298 120.233 119.800 0.226 0.000 2.020 752 Q HA -0.158 4.182 4.340 -0.001 0.000 0.198 752 Q C 2.375 178.480 176.000 0.176 0.000 0.974 752 Q CA 1.943 57.825 55.803 0.132 0.000 0.829 752 Q CB -0.095 28.555 28.738 -0.147 0.000 0.894 752 Q HN 0.348 nan 8.270 nan 0.000 0.433 753 S N -0.171 115.581 115.700 0.086 0.000 2.474 753 S HA -0.127 4.343 4.470 -0.001 0.000 0.235 753 S C 1.732 176.399 174.600 0.112 0.000 0.997 753 S CA 1.027 59.276 58.200 0.082 0.000 0.949 753 S CB -0.123 63.086 63.200 0.015 0.000 0.766 753 S HN 0.401 nan 8.310 nan 0.000 0.517 754 M N 1.343 121.025 119.600 0.138 0.000 2.466 754 M HA 0.291 4.771 4.480 -0.001 0.000 0.265 754 M C 1.651 178.084 176.300 0.222 0.000 1.122 754 M CA 1.109 56.497 55.300 0.146 0.000 1.157 754 M CB -0.983 31.690 32.600 0.122 0.000 1.352 754 M HN 0.363 nan 8.290 nan 0.000 0.464 755 L N 0.507 121.901 121.223 0.285 0.000 2.156 755 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 755 L C 2.530 179.597 176.870 0.328 0.000 1.095 755 L CA 0.885 55.936 54.840 0.352 0.000 0.770 755 L CB -0.822 41.492 42.059 0.425 0.000 0.914 755 L HN 0.328 nan 8.230 nan 0.000 0.439 756 K N 0.439 121.006 120.400 0.278 0.000 2.360 756 K HA -0.116 4.203 4.320 -0.001 0.000 0.201 756 K C 1.576 178.256 176.600 0.135 0.000 1.046 756 K CA 1.047 57.442 56.287 0.180 0.000 0.945 756 K CB 0.244 32.862 32.500 0.197 0.000 0.750 756 K HN 0.219 nan 8.250 nan 0.000 0.464 757 V N 0.101 120.116 119.914 0.167 0.000 3.431 757 V HA -0.087 4.032 4.120 -0.001 0.000 0.253 757 V C 1.688 177.881 176.094 0.166 0.000 1.184 757 V CA 0.470 62.848 62.300 0.130 0.000 1.104 757 V CB -0.375 31.513 31.823 0.109 0.000 0.799 757 V HN 0.257 nan 8.190 nan 0.000 0.462 758 Y N 0.816 121.181 120.300 0.108 0.000 2.206 758 Y HA -0.108 4.442 4.550 -0.001 0.000 0.292 758 Y C 2.283 178.265 175.900 0.136 0.000 1.123 758 Y CA 1.720 59.890 58.100 0.117 0.000 1.142 758 Y CB -0.038 38.508 38.460 0.142 0.000 1.006 758 Y HN 0.025 nan 8.280 nan 0.000 0.518 759 V N 1.095 121.159 119.914 0.250 0.000 2.343 759 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 759 V C 2.365 178.525 176.094 0.110 0.000 1.051 759 V CA 2.289 64.686 62.300 0.162 0.000 1.036 759 V CB -0.764 31.113 31.823 0.090 0.000 0.654 759 V HN 0.525 nan 8.190 nan 0.000 0.451 760 E N 0.303 120.528 120.200 0.041 0.000 2.070 760 E HA -0.279 4.071 4.350 -0.001 0.000 0.197 760 E C 2.165 178.774 176.600 0.015 0.000 1.004 760 E CA 1.398 57.802 56.400 0.007 0.000 0.805 760 E CB -0.052 29.648 29.700 -0.001 0.000 0.744 760 E HN 0.459 nan 8.360 nan 0.000 0.451 761 K N 0.245 120.624 120.400 -0.035 0.000 2.288 761 K HA -0.062 4.258 4.320 -0.001 0.000 0.201 761 K C 2.121 178.630 176.600 -0.152 0.000 1.048 761 K CA 0.331 56.565 56.287 -0.090 0.000 0.956 761 K CB 0.049 32.488 32.500 -0.102 0.000 0.746 761 K HN 0.319 nan 8.250 nan 0.000 0.461 762 I N 0.159 120.620 120.570 -0.181 0.000 2.193 762 I HA -0.197 3.973 4.170 -0.001 0.000 0.240 762 I C 2.037 178.070 176.117 -0.141 0.000 1.084 762 I CA 1.259 62.435 61.300 -0.205 0.000 1.365 762 I CB -0.791 37.090 38.000 -0.197 0.000 1.064 762 I HN -0.018 nan 8.210 nan 0.000 0.410 763 F N 1.407 121.254 119.950 -0.171 0.000 2.269 763 F HA -0.188 4.339 4.527 -0.001 0.000 0.301 763 F C 2.692 178.364 175.800 -0.214 0.000 1.082 763 F CA 1.130 59.020 58.000 -0.183 0.000 1.360 763 F CB -0.592 38.341 39.000 -0.112 0.000 1.041 763 F HN 0.202 nan 8.300 nan 0.000 0.512 764 Q N -0.359 119.439 119.800 -0.003 0.000 2.224 764 Q HA -0.108 4.232 4.340 -0.001 0.000 0.203 764 Q C 2.094 178.017 176.000 -0.129 0.000 0.970 764 Q CA 0.907 56.670 55.803 -0.066 0.000 0.865 764 Q CB -0.150 28.559 28.738 -0.049 0.000 0.922 764 Q HN 0.450 nan 8.270 nan 0.000 0.445 765 L N -0.235 120.894 121.223 -0.158 0.000 2.492 765 L HA -0.043 4.296 4.340 -0.001 0.000 0.223 765 L C 1.875 178.602 176.870 -0.239 0.000 1.132 765 L CA -0.005 54.730 54.840 -0.174 0.000 0.850 765 L CB 0.152 42.115 42.059 -0.161 0.000 0.966 765 L HN 0.066 nan 8.230 nan 0.000 0.454 766 V N -0.700 119.007 119.914 -0.344 0.000 2.720 766 V HA -0.239 3.881 4.120 -0.001 0.000 0.256 766 V C 0.926 176.753 176.094 -0.445 0.000 1.082 766 V CA 1.475 63.473 62.300 -0.504 0.000 1.101 766 V CB -0.405 30.876 31.823 -0.903 0.000 0.693 766 V HN 0.398 nan 8.190 nan 0.000 0.479 767 D N -0.324 119.880 120.400 -0.328 0.000 2.525 767 D HA 0.281 4.921 4.640 -0.001 0.000 0.229 767 D C -0.162 176.039 176.300 -0.165 0.000 1.202 767 D CA 0.299 54.151 54.000 -0.246 0.000 0.828 767 D CB 0.901 41.577 40.800 -0.205 0.000 1.008 767 D HN 0.259 nan 8.370 nan 0.000 0.493 768 V N 0.301 120.122 119.914 -0.155 0.000 2.815 768 V HA 0.186 4.306 4.120 -0.001 0.000 0.314 768 V C 0.559 176.596 176.094 -0.095 0.000 1.064 768 V CA -0.877 61.358 62.300 -0.109 0.000 0.952 768 V CB 2.436 34.201 31.823 -0.097 0.000 1.020 768 V HN -0.173 nan 8.190 nan 0.000 0.439 769 D N 2.040 122.397 120.400 -0.071 0.000 2.519 769 D HA 0.214 4.854 4.640 -0.001 0.000 0.238 769 D C 0.253 176.523 176.300 -0.049 0.000 1.192 769 D CA -0.338 53.628 54.000 -0.057 0.000 0.835 769 D CB -0.517 40.256 40.800 -0.045 0.000 0.975 769 D HN 0.438 nan 8.370 nan 0.000 0.490 770 L N -1.083 120.106 121.223 -0.057 0.000 2.461 770 L HA 0.497 4.836 4.340 -0.001 0.000 0.272 770 L C 0.035 176.879 176.870 -0.043 0.000 1.197 770 L CA 0.050 54.861 54.840 -0.047 0.000 0.836 770 L CB 0.358 42.385 42.059 -0.053 0.000 1.105 770 L HN -0.095 nan 8.230 nan 0.000 0.477 771 E N 0.712 120.893 120.200 -0.032 0.000 2.311 771 E HA 0.317 4.667 4.350 -0.001 0.000 0.281 771 E C -1.046 175.543 176.600 -0.019 0.000 0.905 771 E CA -0.391 55.993 56.400 -0.026 0.000 0.778 771 E CB 1.199 30.885 29.700 -0.023 0.000 1.240 771 E HN 0.850 nan 8.360 nan 0.000 0.410 772 D N 0.421 120.811 120.400 -0.016 0.000 4.783 772 D HA -0.263 4.377 4.640 -0.001 0.000 0.147 772 D C 1.392 177.686 176.300 -0.009 0.000 0.672 772 D CA 2.096 56.090 54.000 -0.010 0.000 1.358 772 D CB -1.382 39.413 40.800 -0.007 0.000 0.855 772 D HN 0.453 nan 8.370 nan 0.000 0.544 773 S N 0.424 116.119 115.700 -0.008 0.000 2.390 773 S HA -0.244 4.226 4.470 -0.001 0.000 0.234 773 S C 1.936 176.532 174.600 -0.007 0.000 1.063 773 S CA 2.290 60.486 58.200 -0.007 0.000 1.108 773 S CB -0.350 62.846 63.200 -0.007 0.000 0.975 773 S HN 0.449 nan 8.310 nan 0.000 0.442 774 L N 1.600 122.817 121.223 -0.010 0.000 2.341 774 L HA 0.154 4.494 4.340 -0.001 0.000 0.214 774 L C 2.012 178.873 176.870 -0.014 0.000 1.115 774 L CA 0.852 55.686 54.840 -0.010 0.000 0.820 774 L CB -0.334 41.717 42.059 -0.014 0.000 0.944 774 L HN 0.149 nan 8.230 nan 0.000 0.452 775 V N -1.045 118.858 119.914 -0.018 0.000 2.358 775 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 775 V C 2.424 178.511 176.094 -0.012 0.000 1.047 775 V CA 2.146 64.433 62.300 -0.022 0.000 1.035 775 V CB -1.130 30.679 31.823 -0.023 0.000 0.658 775 V HN 0.470 nan 8.190 nan 0.000 0.452 776 T N -0.231 114.319 114.554 -0.007 0.000 2.614 776 T HA -0.245 4.105 4.350 -0.001 0.000 0.263 776 T C 1.989 176.689 174.700 -0.000 0.000 1.055 776 T CA 1.947 64.045 62.100 -0.003 0.000 1.162 776 T CB -0.296 68.569 68.868 -0.005 0.000 0.863 776 T HN 0.451 nan 8.240 nan 0.000 0.414 777 K N 0.526 120.926 120.400 0.000 0.000 2.189 777 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 777 K C 2.131 178.742 176.600 0.018 0.000 1.046 777 K CA 1.463 57.752 56.287 0.005 0.000 0.928 777 K CB -0.363 32.141 32.500 0.007 0.000 0.720 777 K HN 0.385 nan 8.250 nan 0.000 0.458 778 I N 0.862 121.445 120.570 0.021 0.000 2.406 778 I HA -0.210 3.959 4.170 -0.001 0.000 0.249 778 I C 1.752 177.908 176.117 0.065 0.000 1.122 778 I CA 0.668 61.996 61.300 0.046 0.000 1.431 778 I CB -0.244 37.763 38.000 0.013 0.000 1.087 778 I HN 0.191 nan 8.210 nan 0.000 0.424 779 N N 0.382 119.103 118.700 0.034 0.000 2.331 779 N HA -0.136 4.604 4.740 -0.001 0.000 0.180 779 N C 1.833 177.356 175.510 0.021 0.000 1.019 779 N CA 0.834 53.905 53.050 0.035 0.000 0.881 779 N CB -0.083 38.413 38.487 0.016 0.000 0.972 779 N HN 0.304 nan 8.380 nan 0.000 0.435 780 Q N -0.078 119.724 119.800 0.005 0.000 2.079 780 Q HA -0.003 4.337 4.340 -0.001 0.000 0.200 780 Q C 1.783 177.766 176.000 -0.029 0.000 0.974 780 Q CA 1.235 57.024 55.803 -0.022 0.000 0.840 780 Q CB -0.980 27.740 28.738 -0.030 0.000 0.898 780 Q HN 0.350 nan 8.270 nan 0.000 0.430 781 T N 0.882 115.439 114.554 0.004 0.000 2.867 781 T HA -0.076 4.274 4.350 -0.001 0.000 0.268 781 T C 1.794 176.472 174.700 -0.036 0.000 1.057 781 T CA 1.678 63.773 62.100 -0.009 0.000 1.136 781 T CB -0.202 68.707 68.868 0.069 0.000 0.874 781 T HN 0.331 nan 8.240 nan 0.000 0.466 782 T N 1.709 116.306 114.554 0.072 0.000 2.985 782 T HA 0.168 4.518 4.350 -0.001 0.000 0.266 782 T C 1.896 176.577 174.700 -0.031 0.000 1.076 782 T CA 0.730 62.881 62.100 0.084 0.000 1.135 782 T CB -0.161 68.863 68.868 0.259 0.000 0.890 782 T HN 0.322 nan 8.240 nan 0.000 0.480 783 M N -0.136 119.446 119.600 -0.029 0.000 2.476 783 M HA 0.258 4.737 4.480 -0.001 0.000 0.262 783 M C 1.851 178.091 176.300 -0.101 0.000 1.111 783 M CA 0.819 56.090 55.300 -0.048 0.000 1.127 783 M CB -0.117 32.464 32.600 -0.032 0.000 1.376 783 M HN 0.199 nan 8.290 nan 0.000 0.465 784 I N 0.175 120.668 120.570 -0.129 0.000 2.333 784 I HA -0.231 3.939 4.170 -0.001 0.000 0.246 784 I C 2.153 178.145 176.117 -0.209 0.000 1.106 784 I CA 0.903 62.102 61.300 -0.169 0.000 1.411 784 I CB -0.086 37.807 38.000 -0.178 0.000 1.082 784 I HN 0.225 nan 8.210 nan 0.000 0.420 785 L N 0.253 121.325 121.223 -0.251 0.000 2.081 785 L HA -0.296 4.044 4.340 -0.001 0.000 0.212 785 L C 2.641 179.308 176.870 -0.338 0.000 1.080 785 L CA 1.587 56.224 54.840 -0.339 0.000 0.754 785 L CB -0.486 41.289 42.059 -0.473 0.000 0.893 785 L HN 0.355 nan 8.230 nan 0.000 0.433 786 Q N -0.648 118.977 119.800 -0.292 0.000 2.046 786 Q HA -0.195 4.145 4.340 -0.001 0.000 0.200 786 Q C 2.054 178.029 176.000 -0.043 0.000 0.975 786 Q CA 1.178 56.887 55.803 -0.157 0.000 0.836 786 Q CB -0.006 28.719 28.738 -0.020 0.000 0.896 786 Q HN 0.433 nan 8.270 nan 0.000 0.428 787 E N 0.299 120.442 120.200 -0.095 0.000 2.274 787 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 787 E C 1.071 177.602 176.600 -0.115 0.000 0.996 787 E CA 0.528 56.866 56.400 -0.104 0.000 0.840 787 E CB 0.097 29.719 29.700 -0.131 0.000 0.772 787 E HN 0.085 nan 8.360 nan 0.000 0.491 788 S N 0.505 116.120 115.700 -0.142 0.000 2.677 788 S HA 0.254 4.723 4.470 -0.001 0.000 0.246 788 S C 0.507 175.038 174.600 -0.116 0.000 1.005 788 S CA 0.001 58.121 58.200 -0.134 0.000 1.062 788 S CB -0.110 62.975 63.200 -0.192 0.000 0.778 788 S HN 0.121 nan 8.310 nan 0.000 0.461 789 M N 2.476 122.038 119.600 -0.064 0.000 2.321 789 M HA 0.282 4.761 4.480 -0.001 0.000 0.315 789 M C -0.786 175.542 176.300 0.046 0.000 1.052 789 M CA -0.834 54.456 55.300 -0.017 0.000 0.936 789 M CB 1.893 34.525 32.600 0.052 0.000 1.639 789 M HN 0.175 nan 8.290 nan 0.000 0.433 790 D N 0.991 121.434 120.400 0.071 0.000 2.344 790 D HA 0.094 4.733 4.640 -0.001 0.000 0.244 790 D C 0.269 176.645 176.300 0.127 0.000 1.134 790 D CA -0.238 53.815 54.000 0.088 0.000 0.930 790 D CB 0.885 41.745 40.800 0.100 0.000 1.175 790 D HN 0.456 nan 8.370 nan 0.000 0.437 791 D N 0.776 121.231 120.400 0.091 0.000 2.172 791 D HA -0.202 4.438 4.640 -0.001 0.000 0.196 791 D C 1.601 178.027 176.300 0.210 0.000 0.999 791 D CA 1.455 55.534 54.000 0.131 0.000 0.856 791 D CB -0.089 40.755 40.800 0.072 0.000 0.934 791 D HN 0.527 nan 8.370 nan 0.000 0.453 792 K N 0.252 120.752 120.400 0.166 0.000 2.001 792 K HA -0.133 4.186 4.320 -0.001 0.000 0.214 792 K C 2.201 178.933 176.600 0.220 0.000 1.050 792 K CA 1.045 57.432 56.287 0.167 0.000 0.934 792 K CB -0.111 32.468 32.500 0.133 0.000 0.718 792 K HN 0.164 nan 8.250 nan 0.000 0.443 793 I N 0.256 120.963 120.570 0.229 0.000 2.233 793 I HA -0.204 3.965 4.170 -0.001 0.000 0.243 793 I C 2.395 178.728 176.117 0.359 0.000 1.093 793 I CA 1.177 62.643 61.300 0.277 0.000 1.380 793 I CB -0.773 37.346 38.000 0.198 0.000 1.067 793 I HN 0.101 nan 8.210 nan 0.000 0.413 794 F N 3.012 123.057 119.950 0.158 0.000 2.069 794 F HA -0.250 4.277 4.527 -0.001 0.000 0.298 794 F C 2.306 178.231 175.800 0.208 0.000 1.113 794 F CA 1.773 59.870 58.000 0.162 0.000 1.214 794 F CB -0.367 38.684 39.000 0.084 0.000 0.978 794 F HN 0.087 nan 8.300 nan 0.000 0.474 795 N N -0.532 118.444 118.700 0.459 0.000 2.430 795 N HA -0.231 4.509 4.740 -0.001 0.000 0.186 795 N C 1.506 177.130 175.510 0.190 0.000 1.032 795 N CA 1.312 54.539 53.050 0.296 0.000 0.893 795 N CB -0.668 37.991 38.487 0.287 0.000 0.957 795 N HN 0.539 nan 8.380 nan 0.000 0.442 796 Y N 0.191 120.554 120.300 0.106 0.000 2.201 796 Y HA -0.012 4.538 4.550 -0.001 0.000 0.292 796 Y C 2.163 178.090 175.900 0.045 0.000 1.119 796 Y CA 0.676 58.824 58.100 0.080 0.000 1.127 796 Y CB -0.904 37.625 38.460 0.115 0.000 1.019 796 Y HN -0.067 nan 8.280 nan 0.000 0.514 797 F N 1.056 120.838 119.950 -0.280 0.000 2.154 797 F HA -0.226 4.300 4.527 -0.001 0.000 0.301 797 F C 2.289 177.839 175.800 -0.417 0.000 1.087 797 F CA 1.849 59.600 58.000 -0.415 0.000 1.274 797 F CB -0.813 38.030 39.000 -0.262 0.000 1.009 797 F HN 0.147 nan 8.300 nan 0.000 0.485 798 A N -0.320 122.265 122.820 -0.392 0.000 1.858 798 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 798 A C 2.298 179.703 177.584 -0.299 0.000 1.190 798 A CA 2.117 53.918 52.037 -0.394 0.000 0.617 798 A CB -1.556 17.249 19.000 -0.325 0.000 0.827 798 A HN 0.483 nan 8.150 nan 0.000 0.443 799 S N -1.214 114.364 115.700 -0.205 0.000 2.595 799 S HA 0.016 4.486 4.470 -0.001 0.000 0.235 799 S C 1.452 175.925 174.600 -0.211 0.000 0.974 799 S CA 1.192 59.313 58.200 -0.131 0.000 0.942 799 S CB -0.254 62.930 63.200 -0.027 0.000 0.766 799 S HN 0.425 nan 8.310 nan 0.000 0.536 800 L N -0.280 120.701 121.223 -0.404 0.000 2.470 800 L HA 0.486 4.826 4.340 -0.001 0.000 0.219 800 L C 1.952 178.582 176.870 -0.400 0.000 1.071 800 L CA 0.689 55.263 54.840 -0.443 0.000 0.850 800 L CB -0.194 41.453 42.059 -0.687 0.000 1.040 800 L HN 0.300 nan 8.230 nan 0.000 0.475 801 L N -0.530 120.402 121.223 -0.484 0.000 2.049 801 L HA -0.123 4.216 4.340 -0.001 0.000 0.203 801 L C 2.186 178.952 176.870 -0.172 0.000 1.074 801 L CA 1.104 55.752 54.840 -0.321 0.000 0.749 801 L CB -0.521 41.293 42.059 -0.408 0.000 0.907 801 L HN 0.373 nan 8.230 nan 0.000 0.439 802 N N 0.240 118.829 118.700 -0.184 0.000 2.036 802 N HA -0.312 4.428 4.740 -0.001 0.000 0.199 802 N C 1.856 177.421 175.510 0.093 0.000 1.036 802 N CA 1.936 54.957 53.050 -0.047 0.000 0.870 802 N CB -0.383 38.124 38.487 0.034 0.000 1.055 802 N HN 0.299 nan 8.380 nan 0.000 0.436 803 R N 1.126 121.646 120.500 0.033 0.000 2.082 803 R HA -0.050 4.290 4.340 -0.001 0.000 0.234 803 R C 1.775 178.085 176.300 0.017 0.000 1.136 803 R CA 1.562 57.700 56.100 0.063 0.000 0.935 803 R CB -0.151 30.136 30.300 -0.021 0.000 0.842 803 R HN 0.248 nan 8.270 nan 0.000 0.430 804 N N -0.255 118.362 118.700 -0.138 0.000 2.396 804 N HA -0.154 4.586 4.740 -0.001 0.000 0.180 804 N C 1.492 176.823 175.510 -0.299 0.000 1.028 804 N CA 0.892 53.729 53.050 -0.356 0.000 0.893 804 N CB -0.137 37.943 38.487 -0.679 0.000 0.967 804 N HN 0.225 nan 8.380 nan 0.000 0.440 805 F N -0.077 119.766 119.950 -0.180 0.000 2.186 805 F HA -0.104 4.422 4.527 -0.001 0.000 0.299 805 F C 1.662 177.322 175.800 -0.233 0.000 1.090 805 F CA 1.257 59.199 58.000 -0.097 0.000 1.307 805 F CB -0.129 38.605 39.000 -0.444 0.000 1.019 805 F HN 0.007 nan 8.300 nan 0.000 0.489 806 W N -0.843 120.499 121.300 0.070 0.000 2.560 806 W HA 0.154 4.813 4.660 -0.001 0.000 0.303 806 W C 1.539 178.023 176.519 -0.059 0.000 1.151 806 W CA 0.671 57.974 57.345 -0.069 0.000 1.426 806 W CB -0.981 28.455 29.460 -0.041 0.000 1.135 806 W HN -0.295 nan 8.180 nan 0.000 0.522 807 S N 1.705 117.519 115.700 0.191 0.000 3.036 807 S HA 0.163 4.633 4.470 -0.001 0.000 0.301 807 S C -0.594 174.001 174.600 -0.008 0.000 1.205 807 S CA -0.502 57.747 58.200 0.083 0.000 0.999 807 S CB -1.641 61.596 63.200 0.061 0.000 1.337 807 S HN 0.283 nan 8.310 nan 0.000 0.515 808 N N 1.601 120.313 118.700 0.019 0.000 2.329 808 N HA 0.401 5.141 4.740 -0.001 0.000 0.282 808 N C -1.814 173.741 175.510 0.076 0.000 1.198 808 N CA -0.781 52.275 53.050 0.010 0.000 0.790 808 N CB 1.425 39.950 38.487 0.064 0.000 1.579 808 N HN -0.012 nan 8.380 nan 0.000 0.475 809 D N 0.793 121.229 120.400 0.061 0.000 3.018 809 D HA 0.293 4.932 4.640 -0.001 0.000 0.331 809 D C -0.429 175.915 176.300 0.073 0.000 1.334 809 D CA -0.096 53.942 54.000 0.064 0.000 0.900 809 D CB 0.243 41.060 40.800 0.029 0.000 1.059 809 D HN 0.540 nan 8.370 nan 0.000 0.498 810 S N -0.520 115.265 115.700 0.141 0.000 2.993 810 S HA 0.175 4.644 4.470 -0.001 0.000 0.257 810 S C 0.440 174.990 174.600 -0.084 0.000 0.997 810 S CA -0.353 57.885 58.200 0.063 0.000 1.191 810 S CB 0.251 63.535 63.200 0.141 0.000 1.143 810 S HN 0.135 nan 8.310 nan 0.000 0.655 811 F N 1.911 121.831 119.950 -0.050 0.000 2.855 811 F HA 0.452 4.978 4.527 -0.001 0.000 0.317 811 F C 1.288 177.029 175.800 -0.099 0.000 1.169 811 F CA -0.460 57.472 58.000 -0.113 0.000 1.299 811 F CB 0.329 39.250 39.000 -0.132 0.000 0.962 811 F HN -0.085 nan 8.300 nan 0.000 0.506 812 K N 0.019 120.436 120.400 0.028 0.000 1.995 812 K HA -0.009 4.311 4.320 -0.001 0.000 0.217 812 K C 0.424 177.011 176.600 -0.022 0.000 1.030 812 K CA 0.500 56.793 56.287 0.010 0.000 0.971 812 K CB -0.288 32.212 32.500 -0.001 0.000 0.775 812 K HN -0.085 nan 8.250 nan 0.000 0.446 813 E N 2.604 122.774 120.200 -0.050 0.000 3.624 813 E HA -0.291 4.059 4.350 -0.001 0.000 0.247 813 E C 0.562 177.128 176.600 -0.057 0.000 0.869 813 E CA 0.632 56.997 56.400 -0.058 0.000 0.946 813 E CB -0.299 29.353 29.700 -0.081 0.000 0.880 813 E HN 0.390 nan 8.360 nan 0.000 0.578 814 K N 2.466 122.847 120.400 -0.031 0.000 3.013 814 K HA -0.353 3.966 4.320 -0.001 0.000 0.277 814 K C 0.292 176.881 176.600 -0.018 0.000 0.694 814 K CA 2.556 58.831 56.287 -0.019 0.000 1.164 814 K CB -0.256 32.231 32.500 -0.021 0.000 0.824 814 K HN 0.499 nan 8.250 nan 0.000 0.710 815 D N 1.122 121.497 120.400 -0.041 0.000 2.420 815 D HA 0.426 5.066 4.640 -0.001 0.000 0.255 815 D C -2.651 173.577 176.300 -0.119 0.000 1.185 815 D CA -1.816 52.164 54.000 -0.033 0.000 0.904 815 D CB 1.429 42.230 40.800 0.002 0.000 1.102 815 D HN 0.106 nan 8.370 nan 0.000 0.534 816 P HA 0.368 nan 4.420 nan 0.000 0.282 816 P C -0.482 176.546 177.300 -0.453 0.000 1.259 816 P CA -0.731 62.092 63.100 -0.462 0.000 0.826 816 P CB 0.702 31.999 31.700 -0.672 0.000 1.064 817 N N 1.535 120.018 118.700 -0.362 0.000 2.868 817 N HA 0.059 4.798 4.740 -0.001 0.000 0.252 817 N C 0.505 175.927 175.510 -0.146 0.000 1.130 817 N CA -0.000 52.936 53.050 -0.189 0.000 1.026 817 N CB -0.103 38.288 38.487 -0.160 0.000 1.335 817 N HN 0.425 nan 8.380 nan 0.000 0.516 818 Y N 1.243 121.581 120.300 0.063 0.000 2.224 818 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 818 Y C 1.941 177.878 175.900 0.061 0.000 1.146 818 Y CA 0.939 59.136 58.100 0.161 0.000 1.182 818 Y CB -0.162 38.387 38.460 0.148 0.000 0.983 818 Y HN 0.327 nan 8.280 nan 0.000 0.524 819 E N 0.632 120.947 120.200 0.191 0.000 2.136 819 E HA -0.250 4.100 4.350 -0.001 0.000 0.208 819 E C 1.911 178.533 176.600 0.036 0.000 1.035 819 E CA 1.800 58.253 56.400 0.088 0.000 0.838 819 E CB -0.720 29.012 29.700 0.053 0.000 0.748 819 E HN 0.451 nan 8.360 nan 0.000 0.459 820 L N -0.067 121.147 121.223 -0.015 0.000 2.450 820 L HA -0.113 4.227 4.340 -0.001 0.000 0.224 820 L C 1.525 178.343 176.870 -0.087 0.000 1.149 820 L CA 0.523 55.322 54.840 -0.069 0.000 0.816 820 L CB 0.018 41.989 42.059 -0.147 0.000 0.932 820 L HN 0.097 nan 8.230 nan 0.000 0.449 821 V N -2.114 117.769 119.914 -0.051 0.000 3.251 821 V HA -0.102 4.017 4.120 -0.001 0.000 0.239 821 V C 2.304 178.416 176.094 0.030 0.000 1.332 821 V CA 1.199 63.463 62.300 -0.060 0.000 1.224 821 V CB 0.788 32.490 31.823 -0.201 0.000 1.004 821 V HN 0.451 nan 8.190 nan 0.000 0.464 822 T N -0.742 113.864 114.554 0.086 0.000 2.737 822 T HA -0.115 4.234 4.350 -0.001 0.000 0.265 822 T C 1.846 176.530 174.700 -0.026 0.000 1.038 822 T CA 1.693 63.813 62.100 0.034 0.000 1.144 822 T CB -0.295 68.622 68.868 0.081 0.000 0.866 822 T HN 0.300 nan 8.240 nan 0.000 0.434 823 I N 2.106 122.679 120.570 0.004 0.000 2.179 823 I HA -0.054 4.116 4.170 -0.001 0.000 0.242 823 I C -0.623 175.495 176.117 0.003 0.000 1.088 823 I CA 1.016 62.315 61.300 -0.002 0.000 1.357 823 I CB -0.862 37.144 38.000 0.009 0.000 1.051 823 I HN 0.188 nan 8.210 nan 0.000 0.409 824 P HA -0.166 nan 4.420 nan 0.000 0.220 824 P C 1.771 179.091 177.300 0.035 0.000 1.144 824 P CA 1.318 64.461 63.100 0.071 0.000 0.800 824 P CB 0.028 31.805 31.700 0.127 0.000 0.772 825 L N -1.065 120.123 121.223 -0.058 0.000 2.023 825 L HA -0.119 4.221 4.340 -0.001 0.000 0.205 825 L C 2.459 179.286 176.870 -0.071 0.000 1.073 825 L CA 1.577 56.339 54.840 -0.130 0.000 0.745 825 L CB -1.300 40.582 42.059 -0.294 0.000 0.900 825 L HN -0.040 nan 8.230 nan 0.000 0.435 826 A N 0.247 123.028 122.820 -0.065 0.000 1.958 826 A HA -0.274 4.045 4.320 -0.001 0.000 0.221 826 A C 2.347 179.930 177.584 -0.001 0.000 1.178 826 A CA 2.040 54.051 52.037 -0.043 0.000 0.642 826 A CB -0.706 18.267 19.000 -0.046 0.000 0.816 826 A HN 0.472 nan 8.150 nan 0.000 0.453 827 A N -1.085 121.750 122.820 0.026 0.000 2.168 827 A HA 0.242 4.562 4.320 -0.001 0.000 0.215 827 A C 1.990 179.663 177.584 0.148 0.000 1.152 827 A CA 0.989 53.063 52.037 0.063 0.000 0.716 827 A CB -0.388 18.647 19.000 0.058 0.000 0.794 827 A HN 0.491 nan 8.150 nan 0.000 0.465 828 L N -1.402 119.911 121.223 0.150 0.000 2.162 828 L HA -0.033 4.306 4.340 -0.001 0.000 0.205 828 L C 2.314 179.335 176.870 0.252 0.000 1.086 828 L CA 0.551 55.555 54.840 0.273 0.000 0.778 828 L CB -0.284 41.827 42.059 0.086 0.000 0.928 828 L HN 0.212 nan 8.230 nan 0.000 0.446 829 V N -0.343 119.639 119.914 0.115 0.000 2.667 829 V HA -0.164 3.956 4.120 -0.001 0.000 0.252 829 V C 2.631 178.775 176.094 0.084 0.000 1.065 829 V CA 1.190 63.540 62.300 0.083 0.000 1.083 829 V CB -0.460 31.376 31.823 0.020 0.000 0.692 829 V HN 0.365 nan 8.190 nan 0.000 0.468 830 R N -0.085 120.460 120.500 0.075 0.000 2.094 830 R HA -0.173 4.167 4.340 -0.001 0.000 0.239 830 R C 2.527 178.867 176.300 0.067 0.000 1.137 830 R CA 1.893 58.044 56.100 0.085 0.000 0.943 830 R CB -0.231 30.098 30.300 0.049 0.000 0.850 830 R HN 0.380 nan 8.270 nan 0.000 0.433 831 R N -0.565 119.965 120.500 0.050 0.000 2.115 831 R HA -0.001 4.338 4.340 -0.001 0.000 0.226 831 R C 0.379 176.654 176.300 -0.041 0.000 1.100 831 R CA 0.651 56.721 56.100 -0.051 0.000 0.980 831 R CB 0.116 30.296 30.300 -0.200 0.000 0.875 831 R HN 0.057 nan 8.270 nan 0.000 0.445 832 N N 0.246 118.989 118.700 0.071 0.000 2.750 832 N HA 0.108 4.847 4.740 -0.001 0.000 0.253 832 N C -0.573 175.003 175.510 0.110 0.000 1.408 832 N CA -0.083 53.023 53.050 0.094 0.000 0.780 832 N CB 0.325 38.920 38.487 0.179 0.000 1.191 832 N HN 0.130 nan 8.380 nan 0.000 0.511 833 N N 0.071 118.826 118.700 0.091 0.000 2.247 833 N HA -0.180 4.559 4.740 -0.001 0.000 0.189 833 N C 1.570 177.138 175.510 0.097 0.000 1.009 833 N CA 1.265 54.372 53.050 0.095 0.000 0.872 833 N CB 0.237 38.780 38.487 0.092 0.000 0.980 833 N HN 0.442 nan 8.380 nan 0.000 0.436 834 G N 1.460 110.315 108.800 0.092 0.000 2.450 834 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.220 834 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.220 834 G C 1.465 176.423 174.900 0.097 0.000 1.130 834 G CA 0.264 45.418 45.100 0.092 0.000 0.760 834 G HN 0.211 nan 8.290 nan 0.000 0.557 835 L N 1.657 122.941 121.223 0.100 0.000 2.353 835 L HA -0.085 4.254 4.340 -0.001 0.000 0.220 835 L C 3.190 180.098 176.870 0.064 0.000 1.133 835 L CA 1.116 56.007 54.840 0.084 0.000 0.798 835 L CB -0.236 41.878 42.059 0.091 0.000 0.922 835 L HN 0.451 nan 8.230 nan 0.000 0.445 836 S N -0.194 115.559 115.700 0.088 0.000 2.357 836 S HA -0.239 4.231 4.470 -0.001 0.000 0.221 836 S C 2.006 176.648 174.600 0.071 0.000 1.031 836 S CA 0.933 59.187 58.200 0.090 0.000 0.982 836 S CB -0.286 63.014 63.200 0.166 0.000 0.853 836 S HN 0.343 nan 8.310 nan 0.000 0.458 837 K N 1.049 121.568 120.400 0.199 0.000 2.107 837 K HA -0.229 4.090 4.320 -0.001 0.000 0.211 837 K C 2.274 178.819 176.600 -0.092 0.000 1.049 837 K CA 1.961 58.361 56.287 0.189 0.000 0.927 837 K CB -0.168 32.465 32.500 0.220 0.000 0.714 837 K HN 0.585 nan 8.250 nan 0.000 0.452 838 E N -0.208 119.970 120.200 -0.038 0.000 2.251 838 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 838 E C 1.976 178.542 176.600 -0.057 0.000 0.964 838 E CA 0.058 56.427 56.400 -0.053 0.000 0.868 838 E CB 0.136 29.831 29.700 -0.008 0.000 0.828 838 E HN 0.217 nan 8.360 nan 0.000 0.481 839 L N 0.884 122.088 121.223 -0.033 0.000 2.046 839 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 839 L C 2.139 178.983 176.870 -0.043 0.000 1.077 839 L CA 1.350 56.195 54.840 0.008 0.000 0.747 839 L CB -0.327 41.718 42.059 -0.023 0.000 0.896 839 L HN -0.061 nan 8.230 nan 0.000 0.432 840 V N -0.316 119.491 119.914 -0.178 0.000 2.307 840 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 840 V C 2.623 178.539 176.094 -0.297 0.000 1.045 840 V CA 1.795 63.928 62.300 -0.277 0.000 1.024 840 V CB -0.726 30.811 31.823 -0.476 0.000 0.651 840 V HN 0.415 nan 8.190 nan 0.000 0.449 841 R N -0.176 120.131 120.500 -0.322 0.000 2.241 841 R HA -0.109 4.230 4.340 -0.001 0.000 0.224 841 R C 2.133 178.381 176.300 -0.087 0.000 1.101 841 R CA 1.602 57.563 56.100 -0.231 0.000 0.995 841 R CB -0.428 29.772 30.300 -0.168 0.000 0.870 841 R HN 0.512 nan 8.270 nan 0.000 0.463 842 T N 0.773 115.289 114.554 -0.064 0.000 3.035 842 T HA 0.114 4.463 4.350 -0.001 0.000 0.259 842 T C 1.762 176.485 174.700 0.039 0.000 1.078 842 T CA 0.310 62.377 62.100 -0.056 0.000 1.132 842 T CB 0.188 68.939 68.868 -0.195 0.000 0.900 842 T HN 0.127 nan 8.240 nan 0.000 0.480 843 L N 0.596 121.875 121.223 0.093 0.000 2.291 843 L HA 0.117 4.457 4.340 -0.001 0.000 0.214 843 L C 2.054 178.958 176.870 0.057 0.000 1.120 843 L CA 0.873 55.789 54.840 0.128 0.000 0.799 843 L CB -0.366 41.727 42.059 0.058 0.000 0.925 843 L HN 0.286 nan 8.230 nan 0.000 0.446 844 L N -2.120 119.042 121.223 -0.102 0.000 2.202 844 L HA -0.045 4.294 4.340 -0.001 0.000 0.205 844 L C 1.917 178.780 176.870 -0.012 0.000 1.083 844 L CA 0.823 55.543 54.840 -0.199 0.000 0.790 844 L CB -0.318 41.365 42.059 -0.627 0.000 0.942 844 L HN 0.102 nan 8.230 nan 0.000 0.452 845 F N -0.797 119.142 119.950 -0.019 0.000 2.804 845 F HA -0.007 4.520 4.527 -0.001 0.000 0.303 845 F C 2.153 177.922 175.800 -0.051 0.000 1.154 845 F CA 0.253 58.229 58.000 -0.039 0.000 1.401 845 F CB 0.091 39.027 39.000 -0.106 0.000 1.106 845 F HN 0.182 nan 8.300 nan 0.000 0.568 846 H N -1.461 117.705 119.070 0.160 0.000 3.017 846 H HA 0.245 4.800 4.556 -0.001 0.000 0.255 846 H C 2.157 177.690 175.328 0.341 0.000 0.990 846 H CA 0.485 56.632 56.048 0.164 0.000 1.205 846 H CB 0.651 30.379 29.762 -0.057 0.000 1.460 846 H HN 0.275 nan 8.280 nan 0.000 0.478 847 I N 0.446 121.278 120.570 0.436 0.000 2.429 847 I HA -0.152 4.018 4.170 -0.001 0.000 0.247 847 I C 2.225 178.551 176.117 0.348 0.000 1.099 847 I CA 0.636 62.194 61.300 0.430 0.000 1.422 847 I CB 0.061 38.337 38.000 0.460 0.000 1.112 847 I HN 0.009 nan 8.210 nan 0.000 0.430 848 K N 0.570 121.174 120.400 0.340 0.000 2.160 848 K HA -0.248 4.072 4.320 -0.001 0.000 0.206 848 K C 2.005 178.740 176.600 0.226 0.000 1.047 848 K CA 1.379 57.838 56.287 0.287 0.000 0.930 848 K CB -0.128 32.445 32.500 0.121 0.000 0.720 848 K HN 0.320 nan 8.250 nan 0.000 0.450 849 E N 0.714 121.037 120.200 0.205 0.000 2.051 849 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 849 E C 2.111 178.799 176.600 0.146 0.000 0.991 849 E CA 1.102 57.586 56.400 0.139 0.000 0.799 849 E CB 0.217 29.950 29.700 0.056 0.000 0.748 849 E HN 0.290 nan 8.360 nan 0.000 0.449 850 Q N 0.069 119.985 119.800 0.193 0.000 2.119 850 Q HA -0.121 4.219 4.340 -0.001 0.000 0.201 850 Q C 2.367 178.434 176.000 0.111 0.000 0.972 850 Q CA 0.802 56.694 55.803 0.148 0.000 0.847 850 Q CB -0.060 28.770 28.738 0.153 0.000 0.903 850 Q HN 0.409 nan 8.270 nan 0.000 0.433 851 I N 0.855 121.503 120.570 0.131 0.000 2.142 851 I HA -0.296 3.874 4.170 -0.001 0.000 0.240 851 I C 2.230 178.401 176.117 0.090 0.000 1.078 851 I CA 1.277 62.633 61.300 0.093 0.000 1.343 851 I CB -0.199 37.860 38.000 0.098 0.000 1.046 851 I HN 0.104 nan 8.210 nan 0.000 0.405 852 K N 0.792 121.267 120.400 0.125 0.000 2.211 852 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 852 K C 1.074 177.717 176.600 0.072 0.000 1.047 852 K CA 1.063 57.414 56.287 0.106 0.000 0.935 852 K CB -0.158 32.412 32.500 0.116 0.000 0.728 852 K HN 0.457 nan 8.250 nan 0.000 0.452 853 R N -0.426 120.114 120.500 0.067 0.000 3.039 853 R HA 0.237 4.576 4.340 -0.001 0.000 0.336 853 R C 0.343 176.668 176.300 0.041 0.000 1.258 853 R CA 0.312 56.442 56.100 0.050 0.000 1.125 853 R CB 0.194 30.523 30.300 0.048 0.000 1.427 853 R HN 0.115 nan 8.270 nan 0.000 0.588 854 G N -0.172 108.650 108.800 0.038 0.000 2.141 854 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.242 854 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.242 854 G C 0.281 175.194 174.900 0.021 0.000 0.982 854 G CA -0.089 45.027 45.100 0.026 0.000 0.662 854 G HN 0.707 nan 8.290 nan 0.000 0.527 855 A N -0.008 122.827 122.820 0.026 0.000 2.401 855 A HA 0.726 5.045 4.320 -0.001 0.000 0.259 855 A C 1.898 179.487 177.584 0.008 0.000 1.103 855 A CA 1.196 53.244 52.037 0.018 0.000 0.789 855 A CB 0.220 19.234 19.000 0.024 0.000 1.035 855 A HN 2.291 nan 8.150 nan 0.000 0.491 856 G N 1.321 110.122 108.800 0.001 0.000 2.249 856 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.273 856 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.273 856 G C 0.984 175.879 174.900 -0.008 0.000 1.036 856 G CA 1.048 46.145 45.100 -0.006 0.000 0.824 856 G HN 1.495 nan 8.290 nan 0.000 0.504 857 S N -1.836 113.863 115.700 -0.002 0.000 2.439 857 S HA 0.291 4.760 4.470 -0.001 0.000 0.224 857 S C 1.230 175.829 174.600 -0.001 0.000 1.029 857 S CA 1.009 59.208 58.200 -0.001 0.000 0.946 857 S CB 0.207 63.410 63.200 0.005 0.000 0.797 857 S HN 0.646 nan 8.310 nan 0.000 0.504 858 V N 3.644 123.559 119.914 0.000 0.000 2.364 858 V HA 0.416 4.535 4.120 -0.001 0.000 0.272 858 V C 0.350 176.442 176.094 -0.002 0.000 1.036 858 V CA -0.654 61.646 62.300 0.001 0.000 0.880 858 V CB 0.880 32.705 31.823 0.003 0.000 0.991 858 V HN 0.299 nan 8.190 nan 0.000 0.460 859 R N 3.808 124.306 120.500 -0.003 0.000 2.491 859 R HA 0.477 4.817 4.340 -0.001 0.000 0.283 859 R C -0.229 176.069 176.300 -0.004 0.000 1.072 859 R CA 0.275 56.372 56.100 -0.005 0.000 1.048 859 R CB 0.840 31.137 30.300 -0.004 0.000 0.983 859 R HN 0.928 nan 8.270 nan 0.000 0.450 860 S N 1.350 117.047 115.700 -0.006 0.000 2.590 860 S HA 0.157 4.626 4.470 -0.001 0.000 0.286 860 S C -0.609 173.986 174.600 -0.008 0.000 1.147 860 S CA -1.095 57.102 58.200 -0.005 0.000 0.963 860 S CB 1.338 64.537 63.200 -0.001 0.000 1.124 860 S HN 0.577 nan 8.310 nan 0.000 0.458 861 T N 2.342 116.891 114.554 -0.008 0.000 2.726 861 T HA 0.585 4.934 4.350 -0.001 0.000 0.294 861 T C 1.412 176.109 174.700 -0.005 0.000 1.013 861 T CA 0.266 62.361 62.100 -0.009 0.000 0.996 861 T CB 0.493 69.355 68.868 -0.010 0.000 1.016 861 T HN 2.300 nan 8.240 nan 0.000 0.529 862 S N -1.402 114.295 115.700 -0.004 0.000 1.707 862 S HA -0.242 4.228 4.470 -0.001 0.000 0.235 862 S C -0.099 174.503 174.600 0.004 0.000 0.875 862 S CA 1.343 59.543 58.200 -0.001 0.000 1.437 862 S CB -1.702 61.497 63.200 -0.001 0.000 1.819 862 S HN 0.876 nan 8.310 nan 0.000 0.531 863 E N 0.452 120.656 120.200 0.005 0.000 2.340 863 E HA 0.693 5.042 4.350 -0.001 0.000 0.273 863 E C -1.013 175.595 176.600 0.014 0.000 0.891 863 E CA -0.745 55.662 56.400 0.012 0.000 0.757 863 E CB 2.069 31.776 29.700 0.011 0.000 1.231 863 E HN 0.446 nan 8.360 nan 0.000 0.439 864 I N 3.157 123.742 120.570 0.026 0.000 2.312 864 I HA 0.052 4.221 4.170 -0.001 0.000 0.291 864 I C 0.262 176.398 176.117 0.031 0.000 1.031 864 I CA -0.635 60.682 61.300 0.028 0.000 1.293 864 I CB 0.719 38.748 38.000 0.048 0.000 1.403 864 I HN 0.230 nan 8.210 nan 0.000 0.484 865 Q N 5.710 125.521 119.800 0.019 0.000 2.315 865 Q HA -0.053 4.286 4.340 -0.001 0.000 0.289 865 Q C 0.698 176.712 176.000 0.024 0.000 1.044 865 Q CA 0.395 56.208 55.803 0.017 0.000 0.920 865 Q CB 0.783 29.527 28.738 0.010 0.000 1.214 865 Q HN 0.611 nan 8.270 nan 0.000 0.392 866 Q N 2.070 121.884 119.800 0.023 0.000 2.437 866 Q HA -0.140 4.199 4.340 -0.001 0.000 0.210 866 Q C 1.577 177.588 176.000 0.019 0.000 0.972 866 Q CA 0.733 56.551 55.803 0.026 0.000 0.903 866 Q CB 0.244 28.995 28.738 0.021 0.000 0.967 866 Q HN 0.511 nan 8.270 nan 0.000 0.486 867 R N -0.748 119.759 120.500 0.013 0.000 2.299 867 R HA -0.040 4.300 4.340 -0.001 0.000 0.197 867 R C 0.405 176.705 176.300 -0.001 0.000 0.971 867 R CA 1.103 57.208 56.100 0.007 0.000 1.030 867 R CB 0.265 30.571 30.300 0.009 0.000 0.932 867 R HN 0.069 nan 8.270 nan 0.000 0.477 868 D N 0.517 120.917 120.400 0.001 0.000 2.324 868 D HA 0.002 4.641 4.640 -0.001 0.000 0.212 868 D C 1.940 178.223 176.300 -0.027 0.000 0.984 868 D CA 0.427 54.420 54.000 -0.012 0.000 0.885 868 D CB 0.095 40.893 40.800 -0.004 0.000 0.996 868 D HN -0.015 nan 8.370 nan 0.000 0.505 869 V N 1.514 121.436 119.914 0.013 0.000 2.311 869 V HA -0.358 3.762 4.120 -0.001 0.000 0.259 869 V C 2.421 178.485 176.094 -0.050 0.000 1.086 869 V CA 1.887 64.228 62.300 0.068 0.000 1.078 869 V CB -0.292 31.591 31.823 0.099 0.000 0.668 869 V HN 0.218 nan 8.190 nan 0.000 0.452 870 K N -1.041 119.256 120.400 -0.173 0.000 2.002 870 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 870 K C 2.123 178.375 176.600 -0.580 0.000 1.048 870 K CA 1.830 57.852 56.287 -0.441 0.000 0.930 870 K CB -0.399 31.889 32.500 -0.354 0.000 0.714 870 K HN 0.399 nan 8.250 nan 0.000 0.438 871 L N 1.016 122.065 121.223 -0.290 0.000 2.081 871 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 871 L C 1.897 178.685 176.870 -0.137 0.000 1.080 871 L CA 1.503 56.250 54.840 -0.156 0.000 0.754 871 L CB -0.294 41.747 42.059 -0.031 0.000 0.893 871 L HN -0.064 nan 8.230 nan 0.000 0.433 872 V N -0.741 119.073 119.914 -0.166 0.000 2.453 872 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 872 V C 2.423 178.326 176.094 -0.317 0.000 1.048 872 V CA 1.435 63.600 62.300 -0.225 0.000 1.049 872 V CB -0.380 31.285 31.823 -0.264 0.000 0.672 872 V HN 0.526 nan 8.190 nan 0.000 0.457 873 L N 0.053 121.112 121.223 -0.274 0.000 1.970 873 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 873 L C 2.319 179.213 176.870 0.041 0.000 1.071 873 L CA 2.201 56.932 54.840 -0.181 0.000 0.751 873 L CB -0.987 40.770 42.059 -0.502 0.000 0.889 873 L HN 0.430 nan 8.230 nan 0.000 0.432 874 Y N -1.203 119.078 120.300 -0.031 0.000 2.256 874 Y HA -0.268 4.281 4.550 -0.001 0.000 0.288 874 Y C 2.478 178.419 175.900 0.069 0.000 1.155 874 Y CA 0.628 58.780 58.100 0.086 0.000 1.203 874 Y CB -0.228 38.319 38.460 0.146 0.000 0.980 874 Y HN 0.243 nan 8.280 nan 0.000 0.530 875 L N -0.733 120.586 121.223 0.160 0.000 2.131 875 L HA -0.153 4.187 4.340 -0.001 0.000 0.206 875 L C 2.362 179.254 176.870 0.036 0.000 1.087 875 L CA 1.141 56.041 54.840 0.100 0.000 0.767 875 L CB -0.558 41.537 42.059 0.059 0.000 0.917 875 L HN 0.185 nan 8.230 nan 0.000 0.441 876 T N -0.130 114.406 114.554 -0.030 0.000 2.777 876 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 876 T C 2.027 176.733 174.700 0.010 0.000 1.040 876 T CA 1.223 63.295 62.100 -0.048 0.000 1.141 876 T CB -0.220 68.571 68.868 -0.129 0.000 0.868 876 T HN 0.418 nan 8.240 nan 0.000 0.444 877 A N 1.448 124.305 122.820 0.061 0.000 1.892 877 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 877 A C 2.255 179.827 177.584 -0.020 0.000 1.188 877 A CA 1.548 53.596 52.037 0.019 0.000 0.631 877 A CB -0.962 18.077 19.000 0.065 0.000 0.822 877 A HN 0.414 nan 8.150 nan 0.000 0.447 878 L N 0.099 121.335 121.223 0.021 0.000 2.131 878 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 878 L C 1.926 178.795 176.870 -0.002 0.000 1.092 878 L CA 2.087 56.925 54.840 -0.004 0.000 0.759 878 L CB -0.579 41.493 42.059 0.022 0.000 0.903 878 L HN 0.338 nan 8.230 nan 0.000 0.435 879 N N -0.088 118.620 118.700 0.013 0.000 2.062 879 N HA -0.158 4.582 4.740 -0.001 0.000 0.191 879 N C 1.493 176.997 175.510 -0.009 0.000 1.042 879 N CA 1.633 54.690 53.050 0.011 0.000 0.845 879 N CB -0.465 38.024 38.487 0.003 0.000 1.024 879 N HN 0.339 nan 8.380 nan 0.000 0.424 880 D N 0.011 120.398 120.400 -0.021 0.000 2.178 880 D HA -0.056 4.584 4.640 -0.001 0.000 0.201 880 D C 1.774 178.042 176.300 -0.053 0.000 0.980 880 D CA 0.483 54.464 54.000 -0.032 0.000 0.842 880 D CB 0.006 40.790 40.800 -0.027 0.000 0.948 880 D HN 0.050 nan 8.370 nan 0.000 0.472 881 V N 0.336 120.212 119.914 -0.063 0.000 3.174 881 V HA 0.016 4.136 4.120 -0.001 0.000 0.254 881 V C 2.316 178.366 176.094 -0.073 0.000 1.120 881 V CA 0.349 62.601 62.300 -0.079 0.000 1.114 881 V CB 0.154 31.914 31.823 -0.106 0.000 0.756 881 V HN 0.176 nan 8.190 nan 0.000 0.467 882 L N -0.134 121.056 121.223 -0.055 0.000 2.072 882 L HA -0.113 4.227 4.340 -0.001 0.000 0.205 882 L C 2.684 179.488 176.870 -0.110 0.000 1.079 882 L CA 1.301 56.111 54.840 -0.050 0.000 0.752 882 L CB -0.546 41.505 42.059 -0.013 0.000 0.906 882 L HN 0.269 nan 8.230 nan 0.000 0.436 883 R N 0.856 121.299 120.500 -0.095 0.000 2.211 883 R HA -0.161 4.178 4.340 -0.001 0.000 0.240 883 R C 1.221 177.364 176.300 -0.262 0.000 1.144 883 R CA 1.403 57.429 56.100 -0.124 0.000 0.992 883 R CB -0.370 29.900 30.300 -0.049 0.000 0.869 883 R HN 0.354 nan 8.270 nan 0.000 0.462 884 N N -1.218 117.312 118.700 -0.284 0.000 2.235 884 N HA 0.051 4.790 4.740 -0.001 0.000 0.231 884 N C 0.174 175.408 175.510 -0.460 0.000 1.177 884 N CA 0.048 52.842 53.050 -0.427 0.000 0.874 884 N CB 0.172 38.555 38.487 -0.173 0.000 1.097 884 N HN 0.150 nan 8.380 nan 0.000 0.518 885 C N 0.292 119.371 119.300 -0.370 0.000 2.486 885 C HA 0.015 4.475 4.460 -0.001 0.000 0.279 885 C C 1.289 176.181 174.990 -0.164 0.000 1.302 885 C CA 0.589 59.501 59.018 -0.177 0.000 1.720 885 C CB -0.641 27.069 27.740 -0.049 0.000 2.030 885 C HN 0.553 nan 8.230 nan 0.000 0.490 886 H N -0.026 118.946 119.070 -0.163 0.000 1.452 886 H HA -0.197 4.358 4.556 -0.001 0.000 0.090 886 H C 1.548 176.812 175.328 -0.106 0.000 2.395 886 H CA 1.514 57.399 56.048 -0.271 0.000 1.901 886 H CB -1.457 28.058 29.762 -0.412 0.000 2.257 886 H HN 0.483 nan 8.280 nan 0.000 0.961 887 E N 1.757 122.053 120.200 0.159 0.000 2.401 887 E HA -0.100 4.249 4.350 -0.001 0.000 0.199 887 E C 1.557 178.154 176.600 -0.005 0.000 1.023 887 E CA 1.645 58.102 56.400 0.096 0.000 0.859 887 E CB -0.412 29.368 29.700 0.133 0.000 0.780 887 E HN 0.498 nan 8.360 nan 0.000 0.523 888 S N 0.394 116.087 115.700 -0.012 0.000 2.555 888 S HA -0.046 4.423 4.470 -0.001 0.000 0.230 888 S C 1.826 176.251 174.600 -0.293 0.000 0.978 888 S CA 0.432 58.592 58.200 -0.067 0.000 0.934 888 S CB -0.321 62.894 63.200 0.025 0.000 0.766 888 S HN 0.280 nan 8.310 nan 0.000 0.533 889 L N 0.395 121.432 121.223 -0.311 0.000 2.554 889 L HA 0.434 4.774 4.340 -0.001 0.000 0.226 889 L C 1.722 178.285 176.870 -0.513 0.000 1.137 889 L CA 0.752 55.257 54.840 -0.559 0.000 0.863 889 L CB -0.296 41.641 42.059 -0.204 0.000 0.985 889 L HN 0.269 nan 8.230 nan 0.000 0.451 890 L N -0.813 120.224 121.223 -0.310 0.000 2.217 890 L HA -0.105 4.235 4.340 -0.001 0.000 0.211 890 L C 2.320 179.060 176.870 -0.217 0.000 1.107 890 L CA 0.928 55.651 54.840 -0.195 0.000 0.783 890 L CB -0.313 41.687 42.059 -0.098 0.000 0.919 890 L HN 0.345 nan 8.230 nan 0.000 0.442 891 E N -0.054 119.957 120.200 -0.316 0.000 2.028 891 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 891 E C 0.702 177.233 176.600 -0.115 0.000 0.988 891 E CA 1.452 57.740 56.400 -0.187 0.000 0.799 891 E CB -0.100 29.528 29.700 -0.120 0.000 0.755 891 E HN 0.631 nan 8.360 nan 0.000 0.447 892 Y N -0.145 120.149 120.300 -0.011 0.000 2.867 892 Y HA 0.384 4.934 4.550 -0.001 0.000 0.351 892 Y C 1.586 177.472 175.900 -0.025 0.000 1.046 892 Y CA -0.235 57.851 58.100 -0.023 0.000 1.520 892 Y CB -0.152 38.285 38.460 -0.038 0.000 1.337 892 Y HN -0.134 nan 8.280 nan 0.000 0.525 893 S N 0.812 116.495 115.700 -0.028 0.000 2.354 893 S HA -0.251 4.219 4.470 -0.001 0.000 0.219 893 S C 1.457 176.084 174.600 0.045 0.000 1.035 893 S CA 2.260 60.457 58.200 -0.006 0.000 1.037 893 S CB -0.357 62.822 63.200 -0.034 0.000 0.956 893 S HN 0.594 nan 8.310 nan 0.000 0.428 894 D N 1.227 121.649 120.400 0.038 0.000 2.218 894 D HA -0.040 4.600 4.640 -0.001 0.000 0.204 894 D C 2.010 178.336 176.300 0.043 0.000 0.976 894 D CA 1.161 55.183 54.000 0.036 0.000 0.853 894 D CB -0.400 40.415 40.800 0.027 0.000 0.939 894 D HN 0.727 nan 8.370 nan 0.000 0.481 895 E N -0.344 119.890 120.200 0.057 0.000 2.285 895 E HA -0.074 4.275 4.350 -0.001 0.000 0.194 895 E C 1.704 178.327 176.600 0.038 0.000 0.997 895 E CA 0.060 56.478 56.400 0.031 0.000 0.845 895 E CB 0.180 29.889 29.700 0.015 0.000 0.782 895 E HN 0.153 nan 8.360 nan 0.000 0.491 896 L N 1.053 122.321 121.223 0.074 0.000 2.056 896 L HA -0.035 4.305 4.340 -0.001 0.000 0.202 896 L C 2.071 179.012 176.870 0.120 0.000 1.086 896 L CA 1.312 56.200 54.840 0.081 0.000 0.758 896 L CB -0.417 41.705 42.059 0.105 0.000 0.912 896 L HN 0.041 nan 8.230 nan 0.000 0.446 897 I N -0.112 120.503 120.570 0.074 0.000 2.143 897 I HA -0.416 3.753 4.170 -0.001 0.000 0.245 897 I C 2.306 178.429 176.117 0.010 0.000 1.068 897 I CA 2.146 63.469 61.300 0.038 0.000 1.326 897 I CB -1.423 36.593 38.000 0.026 0.000 1.028 897 I HN 0.535 nan 8.210 nan 0.000 0.412 898 T N -1.555 113.017 114.554 0.030 0.000 3.035 898 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 898 T C 1.612 176.328 174.700 0.027 0.000 1.109 898 T CA 0.711 62.816 62.100 0.009 0.000 1.119 898 T CB -0.610 68.264 68.868 0.011 0.000 0.900 898 T HN 0.494 nan 8.240 nan 0.000 0.503 899 F N 0.966 120.860 119.950 -0.094 0.000 2.270 899 F HA 0.342 4.869 4.527 -0.001 0.000 0.295 899 F C 2.236 177.972 175.800 -0.106 0.000 1.087 899 F CA 0.323 58.274 58.000 -0.082 0.000 1.365 899 F CB -0.190 38.740 39.000 -0.117 0.000 1.056 899 F HN -0.009 nan 8.300 nan 0.000 0.506 900 M N 0.619 120.186 119.600 -0.055 0.000 2.117 900 M HA -0.209 4.271 4.480 -0.001 0.000 0.262 900 M C 2.044 177.901 176.300 -0.739 0.000 1.065 900 M CA 1.848 56.900 55.300 -0.414 0.000 1.114 900 M CB -0.381 32.112 32.600 -0.179 0.000 1.361 900 M HN 0.068 nan 8.290 nan 0.000 0.408 901 K N -0.830 119.290 120.400 -0.467 0.000 2.147 901 K HA -0.212 4.108 4.320 -0.001 0.000 0.205 901 K C 1.802 178.229 176.600 -0.288 0.000 1.049 901 K CA 1.383 57.352 56.287 -0.529 0.000 0.936 901 K CB -0.289 31.979 32.500 -0.387 0.000 0.722 901 K HN 0.323 nan 8.250 nan 0.000 0.446 902 Y N 0.941 121.008 120.300 -0.388 0.000 2.263 902 Y HA -0.120 4.430 4.550 -0.001 0.000 0.292 902 Y C 1.809 177.484 175.900 -0.376 0.000 1.130 902 Y CA 0.778 58.686 58.100 -0.319 0.000 1.179 902 Y CB -0.067 38.190 38.460 -0.338 0.000 0.998 902 Y HN -0.082 nan 8.280 nan 0.000 0.532 903 L N -0.641 120.150 121.223 -0.719 0.000 2.362 903 L HA -0.142 4.197 4.340 -0.001 0.000 0.219 903 L C 1.214 177.887 176.870 -0.328 0.000 1.134 903 L CA 1.732 56.151 54.840 -0.703 0.000 0.807 903 L CB -0.621 40.928 42.059 -0.849 0.000 0.927 903 L HN 0.401 nan 8.230 nan 0.000 0.447 904 Y N -2.704 117.497 120.300 -0.165 0.000 2.535 904 Y HA 0.039 4.589 4.550 -0.001 0.000 0.266 904 Y C 2.008 177.988 175.900 0.133 0.000 1.088 904 Y CA -0.402 57.725 58.100 0.044 0.000 1.285 904 Y CB 0.199 38.808 38.460 0.248 0.000 1.166 904 Y HN 0.112 nan 8.280 nan 0.000 0.525 905 D N 0.903 121.420 120.400 0.195 0.000 2.075 905 D HA -0.097 4.543 4.640 -0.001 0.000 0.196 905 D C 0.309 176.599 176.300 -0.017 0.000 0.985 905 D CA 1.177 55.259 54.000 0.136 0.000 0.834 905 D CB -0.410 40.441 40.800 0.085 0.000 0.987 905 D HN 0.250 nan 8.370 nan 0.000 0.452 906 N N -0.659 117.906 118.700 -0.225 0.000 2.379 906 N HA 0.301 5.041 4.740 -0.001 0.000 0.260 906 N C -0.578 174.826 175.510 -0.177 0.000 1.254 906 N CA -0.381 52.523 53.050 -0.244 0.000 0.958 906 N CB 0.819 39.042 38.487 -0.439 0.000 1.208 906 N HN -0.201 nan 8.380 nan 0.000 0.532 907 V N -0.720 119.117 119.914 -0.129 0.000 4.660 907 V HA -0.190 3.930 4.120 -0.001 0.000 0.398 907 V C -0.933 175.131 176.094 -0.051 0.000 0.675 907 V CA 0.650 62.903 62.300 -0.078 0.000 1.614 907 V CB -2.152 29.623 31.823 -0.080 0.000 1.958 907 V HN 0.800 nan 8.190 nan 0.000 0.477 908 T N 5.597 120.118 114.554 -0.055 0.000 2.824 908 T HA 0.732 5.082 4.350 -0.001 0.000 0.282 908 T C -0.158 174.509 174.700 -0.055 0.000 0.993 908 T CA -0.653 61.404 62.100 -0.071 0.000 0.967 908 T CB 1.823 70.640 68.868 -0.085 0.000 0.960 908 T HN 0.695 nan 8.240 nan 0.000 0.441 909 N N 3.158 121.823 118.700 -0.059 0.000 4.647 909 N HA 0.112 4.851 4.740 -0.001 0.000 0.168 909 N C -2.724 172.759 175.510 -0.045 0.000 1.199 909 N CA -0.768 52.257 53.050 -0.042 0.000 0.960 909 N CB 1.786 40.257 38.487 -0.028 0.000 1.638 909 N HN 0.153 nan 8.380 nan 0.000 0.911 910 P HA -0.099 nan 4.420 nan 0.000 0.218 910 P C -1.501 175.777 177.300 -0.037 0.000 1.152 910 P CA 1.483 64.552 63.100 -0.051 0.000 0.857 910 P CB -0.141 31.533 31.700 -0.044 0.000 0.787 911 P HA 0.034 nan 4.420 nan 0.000 0.227 911 P C 1.363 178.653 177.300 -0.017 0.000 1.161 911 P CA 0.896 63.986 63.100 -0.017 0.000 0.788 911 P CB -0.226 31.468 31.700 -0.010 0.000 0.822 912 L N -0.723 120.489 121.223 -0.018 0.000 2.307 912 L HA 0.005 4.345 4.340 -0.001 0.000 0.211 912 L C 1.516 178.388 176.870 0.004 0.000 1.099 912 L CA 1.025 55.858 54.840 -0.011 0.000 0.816 912 L CB -0.616 41.437 42.059 -0.011 0.000 0.952 912 L HN -0.069 nan 8.230 nan 0.000 0.455 913 D N -0.001 120.391 120.400 -0.014 0.000 2.224 913 D HA -0.094 4.545 4.640 -0.001 0.000 0.205 913 D C 2.230 178.528 176.300 -0.002 0.000 0.965 913 D CA 0.868 54.856 54.000 -0.021 0.000 0.852 913 D CB 0.220 40.969 40.800 -0.085 0.000 0.947 913 D HN 0.113 nan 8.370 nan 0.000 0.494 914 V N 0.820 120.735 119.914 0.002 0.000 2.809 914 V HA -0.119 4.000 4.120 -0.001 0.000 0.256 914 V C 2.254 178.393 176.094 0.075 0.000 1.080 914 V CA 0.812 63.135 62.300 0.038 0.000 1.102 914 V CB -0.091 31.743 31.823 0.019 0.000 0.705 914 V HN 0.163 nan 8.190 nan 0.000 0.475 915 I N 0.579 121.175 120.570 0.043 0.000 2.364 915 I HA -0.134 4.035 4.170 -0.001 0.000 0.241 915 I C 2.801 178.973 176.117 0.091 0.000 1.082 915 I CA 1.595 62.917 61.300 0.036 0.000 1.401 915 I CB -0.556 37.437 38.000 -0.011 0.000 1.126 915 I HN 0.424 nan 8.210 nan 0.000 0.429 916 T N -1.165 113.463 114.554 0.123 0.000 2.803 916 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 916 T C 1.849 176.761 174.700 0.353 0.000 1.052 916 T CA 1.541 63.780 62.100 0.232 0.000 1.136 916 T CB -0.809 68.223 68.868 0.273 0.000 0.864 916 T HN 0.419 nan 8.240 nan 0.000 0.467 917 S N 0.716 116.563 115.700 0.245 0.000 2.555 917 S HA 0.164 4.634 4.470 -0.001 0.000 0.230 917 S C 1.836 176.656 174.600 0.367 0.000 0.978 917 S CA 0.180 58.522 58.200 0.236 0.000 0.934 917 S CB -0.790 62.460 63.200 0.082 0.000 0.766 917 S HN 0.585 nan 8.310 nan 0.000 0.533 918 I N 0.825 121.539 120.570 0.240 0.000 3.030 918 I HA -0.012 4.157 4.170 -0.001 0.000 0.270 918 I C 2.119 178.308 176.117 0.120 0.000 1.211 918 I CA 0.206 61.526 61.300 0.033 0.000 1.479 918 I CB -0.086 37.836 38.000 -0.131 0.000 1.105 918 I HN 0.158 nan 8.210 nan 0.000 0.447 919 V N 0.978 121.001 119.914 0.181 0.000 2.278 919 V HA -0.329 3.791 4.120 -0.001 0.000 0.251 919 V C 2.397 178.601 176.094 0.183 0.000 1.062 919 V CA 2.041 64.446 62.300 0.175 0.000 1.038 919 V CB -0.431 31.515 31.823 0.206 0.000 0.646 919 V HN 0.369 nan 8.190 nan 0.000 0.447 920 I N -0.515 120.204 120.570 0.247 0.000 2.361 920 I HA -0.238 3.931 4.170 -0.001 0.000 0.251 920 I C 2.278 178.505 176.117 0.183 0.000 1.133 920 I CA 2.117 63.550 61.300 0.222 0.000 1.413 920 I CB -0.499 37.663 38.000 0.271 0.000 1.073 920 I HN 0.570 nan 8.210 nan 0.000 0.424 921 H N -0.941 118.182 119.070 0.088 0.000 2.317 921 H HA -0.001 4.554 4.556 -0.001 0.000 0.304 921 H C 2.226 177.559 175.328 0.008 0.000 1.067 921 H CA 1.647 57.720 56.048 0.042 0.000 1.352 921 H CB -0.154 29.587 29.762 -0.034 0.000 1.398 921 H HN 0.185 nan 8.280 nan 0.000 0.510 922 S N -0.335 115.482 115.700 0.194 0.000 2.528 922 S HA -0.074 4.395 4.470 -0.001 0.000 0.244 922 S C 1.737 176.325 174.600 -0.020 0.000 0.982 922 S CA 0.705 58.958 58.200 0.089 0.000 0.953 922 S CB -0.231 63.021 63.200 0.086 0.000 0.754 922 S HN 0.659 nan 8.310 nan 0.000 0.529 923 A N -0.083 122.730 122.820 -0.010 0.000 2.108 923 A HA 0.410 4.730 4.320 -0.001 0.000 0.206 923 A C 1.752 179.310 177.584 -0.043 0.000 1.212 923 A CA -0.066 51.959 52.037 -0.020 0.000 0.843 923 A CB -0.026 18.989 19.000 0.026 0.000 0.902 923 A HN 0.418 nan 8.150 nan 0.000 0.477 924 L N -0.695 120.490 121.223 -0.063 0.000 2.209 924 L HA -0.006 4.333 4.340 -0.001 0.000 0.207 924 L C 2.883 179.680 176.870 -0.122 0.000 1.094 924 L CA 0.958 55.753 54.840 -0.074 0.000 0.790 924 L CB -0.304 41.723 42.059 -0.054 0.000 0.932 924 L HN 0.410 nan 8.230 nan 0.000 0.447 925 A N -0.998 121.684 122.820 -0.229 0.000 1.968 925 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 925 A C 2.345 179.875 177.584 -0.091 0.000 1.169 925 A CA 2.027 53.937 52.037 -0.212 0.000 0.638 925 A CB -0.624 18.152 19.000 -0.372 0.000 0.812 925 A HN 0.291 nan 8.150 nan 0.000 0.446 926 T N -0.672 113.818 114.554 -0.108 0.000 3.023 926 T HA 0.095 4.444 4.350 -0.001 0.000 0.266 926 T C 1.620 176.304 174.700 -0.027 0.000 1.093 926 T CA 0.985 63.006 62.100 -0.133 0.000 1.129 926 T CB -0.365 68.360 68.868 -0.239 0.000 0.899 926 T HN 0.384 nan 8.240 nan 0.000 0.491 927 L N 0.374 121.614 121.223 0.028 0.000 2.168 927 L HA 0.100 4.440 4.340 -0.001 0.000 0.203 927 L C 2.713 179.712 176.870 0.216 0.000 1.078 927 L CA 0.971 55.882 54.840 0.117 0.000 0.780 927 L CB -0.246 41.840 42.059 0.045 0.000 0.939 927 L HN 0.491 nan 8.230 nan 0.000 0.451 928 C N -4.040 115.331 119.300 0.118 0.000 3.230 928 C HA 0.246 4.706 4.460 -0.001 0.000 0.300 928 C C 1.250 176.302 174.990 0.102 0.000 1.292 928 C CA -0.592 58.478 59.018 0.087 0.000 1.707 928 C CB -0.844 26.895 27.740 -0.002 0.000 2.181 928 C HN 0.154 nan 8.230 nan 0.000 0.655 929 T N 3.612 118.243 114.554 0.128 0.000 2.834 929 T HA 0.283 4.632 4.350 -0.001 0.000 0.298 929 T C 0.218 175.064 174.700 0.243 0.000 0.966 929 T CA 0.911 63.094 62.100 0.138 0.000 1.141 929 T CB 0.568 69.496 68.868 0.099 0.000 0.905 929 T HN 0.528 nan 8.240 nan 0.000 0.535 930 T N 5.865 120.530 114.554 0.186 0.000 2.727 930 T HA 0.404 4.753 4.350 -0.001 0.000 0.298 930 T C 0.111 174.982 174.700 0.285 0.000 0.942 930 T CA -0.704 61.525 62.100 0.214 0.000 0.997 930 T CB 0.373 69.321 68.868 0.133 0.000 0.917 930 T HN 0.613 nan 8.240 nan 0.000 0.487 931 E N 1.627 122.013 120.200 0.309 0.000 2.456 931 E HA 0.583 4.933 4.350 -0.001 0.000 0.276 931 E C -0.521 176.039 176.600 -0.066 0.000 0.981 931 E CA -1.120 55.371 56.400 0.153 0.000 0.814 931 E CB 1.484 31.231 29.700 0.079 0.000 1.382 931 E HN 0.342 nan 8.360 nan 0.000 0.459 932 I N -0.072 120.190 120.570 -0.513 0.000 3.327 932 I HA 0.048 4.218 4.170 -0.001 0.000 0.280 932 I C 0.601 176.504 176.117 -0.357 0.000 1.207 932 I CA 1.108 61.933 61.300 -0.791 0.000 1.280 932 I CB 0.874 38.354 38.000 -0.868 0.000 1.417 932 I HN 0.660 nan 8.210 nan 0.000 0.639 933 T N 0.576 114.936 114.554 -0.324 0.000 3.200 933 T HA 0.111 4.460 4.350 -0.001 0.000 0.259 933 T C -1.016 173.599 174.700 -0.141 0.000 0.855 933 T CA -0.103 61.902 62.100 -0.158 0.000 0.865 933 T CB -0.037 68.761 68.868 -0.117 0.000 1.270 933 T HN 0.636 nan 8.240 nan 0.000 0.563 934 D N -0.101 120.186 120.400 -0.187 0.000 2.278 934 D HA 0.504 5.144 4.640 -0.001 0.000 0.245 934 D C -0.081 176.102 176.300 -0.195 0.000 1.052 934 D CA -0.500 53.419 54.000 -0.135 0.000 0.834 934 D CB 1.462 42.235 40.800 -0.045 0.000 1.194 934 D HN 0.110 nan 8.370 nan 0.000 0.481 935 C N 3.207 122.408 119.300 -0.164 0.000 4.015 935 C HA 0.250 4.709 4.460 -0.001 0.000 0.323 935 C C 0.489 175.388 174.990 -0.153 0.000 1.724 935 C CA -0.373 58.530 59.018 -0.192 0.000 1.828 935 C CB -0.746 26.872 27.740 -0.203 0.000 3.083 935 C HN 0.543 nan 8.230 nan 0.000 0.640 936 R N 0.889 121.314 120.500 -0.124 0.000 2.638 936 R HA 0.059 4.399 4.340 -0.001 0.000 0.268 936 R C 1.184 177.387 176.300 -0.162 0.000 1.006 936 R CA -0.187 55.841 56.100 -0.120 0.000 1.088 936 R CB 0.364 30.613 30.300 -0.085 0.000 0.950 936 R HN 0.148 nan 8.270 nan 0.000 0.419 937 L N 2.271 123.378 121.223 -0.193 0.000 2.043 937 L HA -0.089 4.250 4.340 -0.001 0.000 0.212 937 L C 0.023 176.503 176.870 -0.650 0.000 1.075 937 L CA 1.964 56.572 54.840 -0.387 0.000 0.752 937 L CB 0.044 41.924 42.059 -0.299 0.000 0.891 937 L HN 0.464 nan 8.230 nan 0.000 0.432 938 F N -1.427 118.538 119.950 0.025 0.000 2.561 938 F HA 0.434 4.961 4.527 -0.001 0.000 0.313 938 F C -2.169 173.638 175.800 0.011 0.000 1.126 938 F CA -2.223 55.816 58.000 0.063 0.000 0.918 938 F CB 1.072 40.141 39.000 0.114 0.000 1.199 938 F HN -0.229 nan 8.300 nan 0.000 0.444 939 P HA 0.186 nan 4.420 nan 0.000 0.277 939 P C 0.245 177.586 177.300 0.068 0.000 1.240 939 P CA -0.048 63.091 63.100 0.065 0.000 0.798 939 P CB 1.134 32.853 31.700 0.031 0.000 0.979 940 E N 0.548 120.764 120.200 0.026 0.000 3.904 940 E HA -0.458 3.892 4.350 -0.001 0.000 0.316 940 E C 0.522 177.137 176.600 0.025 0.000 0.643 940 E CA 1.698 58.110 56.400 0.020 0.000 1.129 940 E CB -0.825 28.895 29.700 0.033 0.000 1.635 940 E HN 0.588 nan 8.360 nan 0.000 0.424 941 D N -1.538 118.890 120.400 0.047 0.000 2.206 941 D HA -0.154 4.485 4.640 -0.001 0.000 0.204 941 D C -0.588 175.752 176.300 0.065 0.000 1.368 941 D CA 1.839 55.873 54.000 0.058 0.000 1.622 941 D CB -1.542 39.285 40.800 0.045 0.000 1.406 941 D HN 0.498 nan 8.370 nan 0.000 0.592 942 S N 0.081 115.816 115.700 0.059 0.000 2.733 942 S HA 0.729 5.199 4.470 -0.001 0.000 0.307 942 S C -0.443 174.197 174.600 0.067 0.000 1.127 942 S CA -0.715 57.520 58.200 0.058 0.000 1.097 942 S CB 2.220 65.447 63.200 0.045 0.000 1.003 942 S HN 0.147 nan 8.310 nan 0.000 0.477 943 K N 3.149 123.603 120.400 0.089 0.000 3.200 943 K HA 0.280 4.599 4.320 -0.001 0.000 0.179 943 K C -0.839 175.833 176.600 0.119 0.000 1.153 943 K CA -0.152 56.200 56.287 0.108 0.000 0.836 943 K CB 0.765 33.349 32.500 0.140 0.000 1.051 943 K HN 0.763 nan 8.250 nan 0.000 0.594 944 I N 3.269 123.880 120.570 0.069 0.000 2.664 944 I HA -0.043 4.127 4.170 -0.001 0.000 0.284 944 I C -1.160 174.979 176.117 0.037 0.000 1.154 944 I CA -0.710 60.610 61.300 0.034 0.000 1.402 944 I CB 0.522 38.535 38.000 0.021 0.000 1.395 944 I HN 0.125 nan 8.210 nan 0.000 0.545 945 P HA 0.227 nan 4.420 nan 0.000 0.268 945 P C -0.327 176.948 177.300 -0.043 0.000 1.329 945 P CA -0.062 63.031 63.100 -0.012 0.000 0.899 945 P CB 0.424 32.111 31.700 -0.021 0.000 1.378 946 E N -0.824 119.346 120.200 -0.050 0.000 6.495 946 E HA -0.086 4.264 4.350 -0.001 0.000 0.541 946 E C -0.565 175.991 176.600 -0.074 0.000 1.428 946 E CA -0.077 56.295 56.400 -0.046 0.000 2.955 946 E CB -0.988 28.692 29.700 -0.033 0.000 0.915 946 E HN 0.023 nan 8.360 nan 0.000 0.280 947 K N 1.264 121.640 120.400 -0.041 0.000 2.861 947 K HA 0.109 4.428 4.320 -0.001 0.000 0.210 947 K C -0.489 176.106 176.600 -0.009 0.000 1.112 947 K CA 0.158 56.433 56.287 -0.019 0.000 1.076 947 K CB 0.162 32.675 32.500 0.022 0.000 0.853 947 K HN 0.309 nan 8.250 nan 0.000 0.463 948 D N 0.974 121.355 120.400 -0.033 0.000 3.058 948 D HA -0.023 4.616 4.640 -0.001 0.000 0.272 948 D C 0.359 176.678 176.300 0.031 0.000 1.350 948 D CA -0.490 53.489 54.000 -0.035 0.000 0.863 948 D CB 0.059 40.826 40.800 -0.055 0.000 1.064 948 D HN 0.240 nan 8.370 nan 0.000 0.488 949 R N -1.089 119.446 120.500 0.058 0.000 2.831 949 R HA 0.255 4.595 4.340 -0.001 0.000 0.337 949 R C 0.006 176.499 176.300 0.322 0.000 1.200 949 R CA -0.807 55.298 56.100 0.008 0.000 1.088 949 R CB -0.427 29.569 30.300 -0.507 0.000 1.397 949 R HN -0.047 nan 8.270 nan 0.000 0.581 950 W N 1.777 123.184 121.300 0.179 0.000 1.936 950 W HA 0.223 4.882 4.660 -0.001 0.000 0.286 950 W C 1.213 177.923 176.519 0.318 0.000 0.911 950 W CA 1.499 59.017 57.345 0.289 0.000 1.083 950 W CB -1.020 28.650 29.460 0.349 0.000 1.169 950 W HN 0.302 nan 8.180 nan 0.000 0.486 951 G N 0.812 109.895 108.800 0.471 0.000 2.147 951 G HA2 0.134 4.093 3.960 -0.001 0.000 0.269 951 G HA3 0.134 4.093 3.960 -0.001 0.000 0.269 951 G C 0.998 176.085 174.900 0.311 0.000 0.912 951 G CA 0.185 45.476 45.100 0.318 0.000 1.057 951 G HN 0.681 nan 8.290 nan 0.000 0.364 952 G N 1.819 110.792 108.800 0.287 0.000 3.097 952 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.198 952 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.198 952 G C 1.132 176.128 174.900 0.161 0.000 1.199 952 G CA 0.524 45.755 45.100 0.218 0.000 0.985 952 G HN 1.254 nan 8.290 nan 0.000 0.518 953 L N -2.889 118.461 121.223 0.211 0.000 4.800 953 L HA -0.313 4.027 4.340 -0.001 0.000 0.412 953 L C 2.312 179.166 176.870 -0.027 0.000 1.063 953 L CA 1.139 56.028 54.840 0.083 0.000 1.114 953 L CB -1.757 40.293 42.059 -0.014 0.000 2.089 953 L HN 0.639 nan 8.230 nan 0.000 0.686 954 Q N -0.845 118.937 119.800 -0.030 0.000 2.439 954 Q HA -0.056 4.284 4.340 -0.001 0.000 0.211 954 Q C 1.470 177.138 176.000 -0.554 0.000 0.978 954 Q CA 2.066 57.707 55.803 -0.270 0.000 0.897 954 Q CB -0.170 28.387 28.738 -0.302 0.000 0.956 954 Q HN 0.695 nan 8.270 nan 0.000 0.483 955 F N -0.577 119.344 119.950 -0.049 0.000 2.834 955 F HA 0.237 4.763 4.527 -0.001 0.000 0.332 955 F C 0.576 176.343 175.800 -0.055 0.000 1.056 955 F CA -0.835 57.141 58.000 -0.041 0.000 1.178 955 F CB 0.724 39.722 39.000 -0.004 0.000 1.037 955 F HN -0.018 nan 8.300 nan 0.000 0.580 956 D N 2.203 122.648 120.400 0.076 0.000 2.414 956 D HA 0.074 4.713 4.640 -0.001 0.000 0.242 956 D C -1.882 174.357 176.300 -0.102 0.000 1.129 956 D CA -1.424 52.581 54.000 0.009 0.000 0.885 956 D CB 1.706 42.508 40.800 0.003 0.000 1.198 956 D HN -0.025 nan 8.370 nan 0.000 0.437 957 P HA 0.027 nan 4.420 nan 0.000 0.241 957 P C 0.728 177.993 177.300 -0.059 0.000 1.191 957 P CA 0.521 63.581 63.100 -0.067 0.000 0.771 957 P CB 0.104 31.840 31.700 0.060 0.000 0.929 958 R N 0.634 121.096 120.500 -0.064 0.000 2.297 958 R HA 0.108 4.448 4.340 -0.001 0.000 0.197 958 R C 1.878 178.110 176.300 -0.114 0.000 0.943 958 R CA 0.044 56.126 56.100 -0.030 0.000 1.038 958 R CB -0.837 29.449 30.300 -0.024 0.000 0.957 958 R HN 0.200 nan 8.270 nan 0.000 0.484 959 R N 1.575 121.919 120.500 -0.260 0.000 2.226 959 R HA -0.147 4.192 4.340 -0.001 0.000 0.246 959 R C 0.160 176.431 176.300 -0.049 0.000 1.161 959 R CA 1.584 57.519 56.100 -0.275 0.000 0.997 959 R CB -0.397 29.678 30.300 -0.375 0.000 0.870 959 R HN 0.437 nan 8.270 nan 0.000 0.465 960 F N 0.598 120.591 119.950 0.070 0.000 2.810 960 F HA 0.390 4.916 4.527 -0.001 0.000 0.353 960 F C -1.331 174.505 175.800 0.060 0.000 1.227 960 F CA -3.104 54.949 58.000 0.088 0.000 1.210 960 F CB -0.857 38.189 39.000 0.077 0.000 1.039 960 F HN -0.088 nan 8.300 nan 0.000 0.509 961 D N -0.141 120.453 120.400 0.323 0.000 2.304 961 D HA 0.178 4.817 4.640 -0.001 0.000 0.247 961 D C 0.733 177.112 176.300 0.132 0.000 1.089 961 D CA -0.524 53.587 54.000 0.186 0.000 0.910 961 D CB 1.330 42.211 40.800 0.135 0.000 1.199 961 D HN 0.174 nan 8.370 nan 0.000 0.426 962 K N 0.083 120.523 120.400 0.067 0.000 2.360 962 K HA -0.168 4.152 4.320 -0.001 0.000 0.201 962 K C 1.623 178.220 176.600 -0.006 0.000 1.046 962 K CA 0.777 57.070 56.287 0.009 0.000 0.945 962 K CB 0.014 32.508 32.500 -0.010 0.000 0.750 962 K HN 0.538 nan 8.250 nan 0.000 0.464 963 Q N -0.274 119.552 119.800 0.043 0.000 2.389 963 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 963 Q C 1.656 177.702 176.000 0.077 0.000 0.944 963 Q CA 0.942 56.771 55.803 0.044 0.000 0.908 963 Q CB 0.178 28.950 28.738 0.057 0.000 1.002 963 Q HN 0.395 nan 8.270 nan 0.000 0.493 964 H N 0.150 119.220 119.070 -0.001 0.000 2.306 964 H HA 0.060 4.616 4.556 -0.001 0.000 0.307 964 H C 0.597 175.888 175.328 -0.062 0.000 1.061 964 H CA 0.993 57.051 56.048 0.017 0.000 1.359 964 H CB -0.072 29.723 29.762 0.055 0.000 1.407 964 H HN 0.093 nan 8.280 nan 0.000 0.517 965 L N 2.570 123.672 121.223 -0.203 0.000 2.544 965 L HA 0.099 4.439 4.340 -0.001 0.000 0.240 965 L C 0.297 176.714 176.870 -0.754 0.000 1.421 965 L CA 0.214 54.688 54.840 -0.610 0.000 1.206 965 L CB -0.569 41.180 42.059 -0.517 0.000 1.463 965 L HN 0.324 nan 8.230 nan 0.000 0.437 966 S N -0.526 114.919 115.700 -0.424 0.000 3.266 966 S HA 0.303 4.772 4.470 -0.001 0.000 0.209 966 S C 0.196 174.754 174.600 -0.070 0.000 1.409 966 S CA -0.786 57.285 58.200 -0.215 0.000 1.179 966 S CB -0.796 62.358 63.200 -0.077 0.000 1.218 966 S HN 0.276 nan 8.310 nan 0.000 0.514 967 F N 1.194 121.192 119.950 0.079 0.000 2.626 967 F HA 0.049 4.576 4.527 -0.001 0.000 0.354 967 F C 2.049 177.939 175.800 0.151 0.000 1.168 967 F CA -0.527 57.517 58.000 0.072 0.000 1.368 967 F CB 0.507 39.576 39.000 0.114 0.000 1.092 967 F HN 0.330 nan 8.300 nan 0.000 0.612 968 Q N 1.587 121.538 119.800 0.252 0.000 2.013 968 Q HA 0.058 4.398 4.340 -0.001 0.000 0.195 968 Q C -0.982 175.211 176.000 0.322 0.000 0.974 968 Q CA 0.907 56.823 55.803 0.189 0.000 0.826 968 Q CB 0.126 28.902 28.738 0.062 0.000 0.895 968 Q HN 0.544 nan 8.270 nan 0.000 0.448 969 W N -0.489 120.826 121.300 0.024 0.000 3.078 969 W HA -0.212 4.447 4.660 -0.001 0.000 0.459 969 W C -0.806 175.690 176.519 -0.038 0.000 1.861 969 W CA 0.329 57.671 57.345 -0.005 0.000 0.459 969 W CB -1.263 28.203 29.460 0.011 0.000 2.859 969 W HN 0.473 nan 8.180 nan 0.000 0.416 970 H N 3.140 122.232 119.070 0.037 0.000 2.652 970 H HA 0.628 5.183 4.556 -0.001 0.000 0.298 970 H C -0.559 174.796 175.328 0.045 0.000 1.076 970 H CA -0.402 55.587 56.048 -0.099 0.000 1.360 970 H CB 0.634 30.090 29.762 -0.510 0.000 1.421 970 H HN 0.178 nan 8.280 nan 0.000 0.464 971 V N 8.068 127.736 119.914 -0.409 0.000 2.417 971 V HA 0.298 4.418 4.120 -0.001 0.000 0.291 971 V C -2.083 173.691 176.094 -0.533 0.000 1.024 971 V CA -2.025 60.060 62.300 -0.358 0.000 0.861 971 V CB 1.360 33.084 31.823 -0.165 0.000 0.985 971 V HN 0.860 nan 8.190 nan 0.000 0.436 972 P HA 0.169 nan 4.420 nan 0.000 0.271 972 P C -0.068 177.157 177.300 -0.125 0.000 1.233 972 P CA 0.100 63.067 63.100 -0.222 0.000 0.764 972 P CB 0.399 32.063 31.700 -0.060 0.000 0.825 973 S N 1.357 117.006 115.700 -0.084 0.000 2.632 973 S HA 0.160 4.630 4.470 -0.001 0.000 0.267 973 S C 1.533 176.118 174.600 -0.024 0.000 1.276 973 S CA 0.019 58.191 58.200 -0.047 0.000 0.998 973 S CB 0.609 63.792 63.200 -0.029 0.000 0.953 973 S HN 0.432 nan 8.310 nan 0.000 0.547 974 S N 0.064 115.752 115.700 -0.020 0.000 2.440 974 S HA -0.180 4.290 4.470 -0.001 0.000 0.238 974 S C 0.974 175.570 174.600 -0.006 0.000 1.010 974 S CA 1.396 59.589 58.200 -0.012 0.000 0.972 974 S CB -0.691 62.503 63.200 -0.010 0.000 0.774 974 S HN 0.742 nan 8.310 nan 0.000 0.501 975 D N 1.628 122.025 120.400 -0.005 0.000 2.120 975 D HA 0.023 4.662 4.640 -0.001 0.000 0.202 975 D C 2.181 178.482 176.300 0.002 0.000 0.972 975 D CA 1.193 55.192 54.000 -0.002 0.000 0.837 975 D CB -0.293 40.506 40.800 -0.002 0.000 0.989 975 D HN 0.631 nan 8.370 nan 0.000 0.469 976 E N 0.047 120.255 120.200 0.012 0.000 2.047 976 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 976 E C 2.098 178.707 176.600 0.016 0.000 0.987 976 E CA 0.392 56.809 56.400 0.027 0.000 0.799 976 E CB 0.012 29.757 29.700 0.075 0.000 0.752 976 E HN 0.141 nan 8.360 nan 0.000 0.449 977 I N 1.038 121.612 120.570 0.007 0.000 2.335 977 I HA -0.253 3.917 4.170 -0.001 0.000 0.251 977 I C 2.269 178.381 176.117 -0.009 0.000 1.129 977 I CA 1.464 62.760 61.300 -0.007 0.000 1.402 977 I CB -0.245 37.747 38.000 -0.014 0.000 1.069 977 I HN 0.062 nan 8.210 nan 0.000 0.424 978 T N -0.208 114.344 114.554 -0.004 0.000 2.896 978 T HA -0.076 4.273 4.350 -0.001 0.000 0.263 978 T C 1.793 176.493 174.700 -0.000 0.000 1.050 978 T CA 1.050 63.149 62.100 -0.002 0.000 1.140 978 T CB -0.179 68.689 68.868 -0.000 0.000 0.877 978 T HN 0.217 nan 8.240 nan 0.000 0.457 979 L N 0.857 122.079 121.223 -0.002 0.000 2.072 979 L HA 0.092 4.431 4.340 -0.001 0.000 0.205 979 L C 2.532 179.402 176.870 0.000 0.000 1.079 979 L CA 1.563 56.402 54.840 -0.002 0.000 0.752 979 L CB -1.002 41.051 42.059 -0.010 0.000 0.906 979 L HN 0.120 nan 8.230 nan 0.000 0.436 980 S N -0.315 115.383 115.700 -0.003 0.000 2.378 980 S HA -0.271 4.199 4.470 -0.001 0.000 0.229 980 S C 2.024 176.618 174.600 -0.011 0.000 1.052 980 S CA 2.331 60.525 58.200 -0.010 0.000 1.084 980 S CB -0.467 62.721 63.200 -0.020 0.000 0.950 980 S HN 0.520 nan 8.310 nan 0.000 0.440 981 I N 0.448 121.011 120.570 -0.012 0.000 2.353 981 I HA -0.112 4.057 4.170 -0.001 0.000 0.248 981 I C 2.658 178.782 176.117 0.012 0.000 1.119 981 I CA 1.081 62.377 61.300 -0.005 0.000 1.417 981 I CB -0.459 37.537 38.000 -0.007 0.000 1.078 981 I HN 0.374 nan 8.210 nan 0.000 0.421 982 S N 1.338 117.046 115.700 0.013 0.000 2.372 982 S HA -0.238 4.232 4.470 -0.001 0.000 0.227 982 S C 2.024 176.641 174.600 0.029 0.000 1.044 982 S CA 1.678 59.890 58.200 0.020 0.000 1.050 982 S CB -0.338 62.871 63.200 0.016 0.000 0.901 982 S HN 0.316 nan 8.310 nan 0.000 0.447 983 I N 0.878 121.465 120.570 0.028 0.000 2.090 983 I HA -0.167 4.003 4.170 -0.001 0.000 0.236 983 I C 2.387 178.537 176.117 0.054 0.000 1.064 983 I CA 1.251 62.575 61.300 0.040 0.000 1.324 983 I CB -0.510 37.512 38.000 0.037 0.000 1.044 983 I HN 0.334 nan 8.210 nan 0.000 0.399 984 L N 0.976 122.228 121.223 0.048 0.000 2.082 984 L HA -0.341 3.999 4.340 -0.001 0.000 0.223 984 L C 2.312 179.225 176.870 0.071 0.000 1.086 984 L CA 2.261 57.139 54.840 0.063 0.000 0.793 984 L CB -0.661 41.426 42.059 0.046 0.000 0.896 984 L HN 0.284 nan 8.230 nan 0.000 0.441 985 E N -1.991 118.243 120.200 0.057 0.000 2.230 985 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 985 E C 2.230 178.867 176.600 0.063 0.000 0.987 985 E CA 0.767 57.201 56.400 0.056 0.000 0.841 985 E CB 0.014 29.740 29.700 0.044 0.000 0.783 985 E HN 0.574 nan 8.360 nan 0.000 0.481 986 S N -0.380 115.359 115.700 0.065 0.000 2.395 986 S HA -0.001 4.468 4.470 -0.001 0.000 0.225 986 S C 1.731 176.397 174.600 0.110 0.000 1.027 986 S CA 0.374 58.619 58.200 0.075 0.000 0.965 986 S CB 0.015 63.248 63.200 0.056 0.000 0.812 986 S HN 0.229 nan 8.310 nan 0.000 0.482 987 L N 1.140 122.432 121.223 0.114 0.000 2.162 987 L HA 0.097 4.436 4.340 -0.001 0.000 0.205 987 L C 2.711 179.686 176.870 0.175 0.000 1.086 987 L CA 1.359 56.298 54.840 0.165 0.000 0.778 987 L CB -1.554 40.599 42.059 0.157 0.000 0.928 987 L HN 0.408 nan 8.230 nan 0.000 0.446 988 S N -0.418 115.353 115.700 0.119 0.000 2.370 988 S HA -0.198 4.271 4.470 -0.001 0.000 0.226 988 S C 1.841 176.477 174.600 0.060 0.000 1.033 988 S CA 1.320 59.571 58.200 0.085 0.000 1.011 988 S CB 0.071 63.314 63.200 0.072 0.000 0.852 988 S HN 0.357 nan 8.310 nan 0.000 0.457 989 E N -0.398 119.842 120.200 0.067 0.000 2.028 989 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 989 E C 1.828 178.441 176.600 0.023 0.000 0.988 989 E CA 1.224 57.647 56.400 0.037 0.000 0.799 989 E CB -0.532 29.195 29.700 0.045 0.000 0.755 989 E HN 0.764 nan 8.360 nan 0.000 0.447 990 Y N 1.286 121.565 120.300 -0.035 0.000 2.102 990 Y HA -0.366 4.184 4.550 -0.001 0.000 0.280 990 Y C 2.508 178.297 175.900 -0.184 0.000 1.178 990 Y CA 1.997 60.055 58.100 -0.071 0.000 1.146 990 Y CB -0.575 37.885 38.460 0.001 0.000 0.968 990 Y HN 0.080 nan 8.280 nan 0.000 0.504 991 C N 0.349 119.588 119.300 -0.102 0.000 2.453 991 C HA -0.149 4.311 4.460 -0.001 0.000 0.277 991 C C 2.746 177.548 174.990 -0.312 0.000 1.262 991 C CA 1.179 60.036 59.018 -0.268 0.000 1.718 991 C CB -1.350 26.385 27.740 -0.008 0.000 2.031 991 C HN 0.629 nan 8.230 nan 0.000 0.480 992 I N 1.658 122.128 120.570 -0.166 0.000 2.394 992 I HA -0.161 4.008 4.170 -0.001 0.000 0.251 992 I C 2.101 178.114 176.117 -0.174 0.000 1.136 992 I CA 1.191 62.410 61.300 -0.134 0.000 1.425 992 I CB -0.711 37.247 38.000 -0.069 0.000 1.079 992 I HN 0.478 nan 8.210 nan 0.000 0.425 993 N N 1.336 119.903 118.700 -0.222 0.000 2.051 993 N HA -0.144 4.595 4.740 -0.001 0.000 0.192 993 N C 1.530 176.857 175.510 -0.305 0.000 1.049 993 N CA 1.227 54.145 53.050 -0.221 0.000 0.845 993 N CB -0.736 37.632 38.487 -0.199 0.000 1.031 993 N HN 0.378 nan 8.380 nan 0.000 0.425 994 N N 0.850 119.222 118.700 -0.548 0.000 2.334 994 N HA -0.107 4.632 4.740 -0.001 0.000 0.187 994 N C 1.549 176.828 175.510 -0.384 0.000 1.016 994 N CA 0.755 53.422 53.050 -0.638 0.000 0.879 994 N CB 0.190 37.857 38.487 -1.367 0.000 0.965 994 N HN 0.051 nan 8.380 nan 0.000 0.438 995 V N 0.479 120.202 119.914 -0.318 0.000 2.599 995 V HA -0.075 4.044 4.120 -0.001 0.000 0.245 995 V C 1.999 178.043 176.094 -0.083 0.000 1.046 995 V CA 1.010 63.239 62.300 -0.119 0.000 1.065 995 V CB -0.182 31.592 31.823 -0.080 0.000 0.703 995 V HN 0.135 nan 8.190 nan 0.000 0.464 996 E N 0.144 120.285 120.200 -0.097 0.000 2.409 996 E HA -0.211 4.138 4.350 -0.001 0.000 0.198 996 E C 1.954 178.528 176.600 -0.043 0.000 1.024 996 E CA 0.826 57.191 56.400 -0.059 0.000 0.861 996 E CB 0.106 29.769 29.700 -0.061 0.000 0.788 996 E HN 0.617 nan 8.360 nan 0.000 0.521 997 E N -0.063 120.101 120.200 -0.060 0.000 2.033 997 E HA -0.027 4.322 4.350 -0.001 0.000 0.189 997 E C 1.454 178.066 176.600 0.020 0.000 0.979 997 E CA 0.812 57.194 56.400 -0.030 0.000 0.802 997 E CB -0.074 29.593 29.700 -0.054 0.000 0.763 997 E HN 0.274 nan 8.360 nan 0.000 0.449 998 L N 0.488 121.730 121.223 0.030 0.000 2.633 998 L HA -0.003 4.337 4.340 -0.001 0.000 0.235 998 L C 1.071 178.047 176.870 0.177 0.000 1.163 998 L CA 0.292 55.205 54.840 0.122 0.000 0.859 998 L CB -0.340 41.716 42.059 -0.005 0.000 0.973 998 L HN 0.228 nan 8.230 nan 0.000 0.451 999 M N 0.039 119.689 119.600 0.084 0.000 3.092 999 M HA 0.079 4.559 4.480 -0.001 0.000 0.228 999 M C -0.226 176.107 176.300 0.055 0.000 1.301 999 M CA 0.470 55.816 55.300 0.077 0.000 1.216 999 M CB 0.019 32.640 32.600 0.034 0.000 1.356 999 M HN -0.090 nan 8.290 nan 0.000 0.463 1000 K N 1.400 121.842 120.400 0.070 0.000 2.540 1000 K HA 0.446 4.765 4.320 -0.001 0.000 0.218 1000 K C -0.709 175.895 176.600 0.006 0.000 1.017 1000 K CA -0.130 56.176 56.287 0.031 0.000 1.029 1000 K CB 1.052 33.568 32.500 0.026 0.000 1.348 1000 K HN 0.197 nan 8.250 nan 0.000 0.508 1001 A N 3.712 126.506 122.820 -0.043 0.000 2.476 1001 A HA 0.333 4.653 4.320 -0.001 0.000 0.275 1001 A C -1.958 175.384 177.584 -0.403 0.000 1.133 1001 A CA -0.757 51.171 52.037 -0.182 0.000 0.797 1001 A CB -0.402 18.522 19.000 -0.127 0.000 1.081 1001 A HN 0.239 nan 8.150 nan 0.000 0.510 1002 P HA 0.348 nan 4.420 nan 0.000 0.283 1002 P C 0.611 177.238 177.300 -1.121 0.000 1.412 1002 P CA -0.460 62.115 63.100 -0.876 0.000 0.912 1002 P CB 1.005 32.371 31.700 -0.558 0.000 1.132 1003 R N 2.510 122.467 120.500 -0.905 0.000 2.148 1003 R HA -0.115 4.224 4.340 -0.001 0.000 0.227 1003 R C 1.694 177.760 176.300 -0.390 0.000 1.103 1003 R CA 1.191 56.971 56.100 -0.534 0.000 0.983 1003 R CB 0.010 30.127 30.300 -0.305 0.000 0.874 1003 R HN 0.616 nan 8.270 nan 0.000 0.451 1004 H N -0.191 118.793 119.070 -0.145 0.000 2.576 1004 H HA -0.025 4.530 4.556 -0.001 0.000 0.311 1004 H C 0.989 176.283 175.328 -0.057 0.000 1.037 1004 H CA 0.709 56.709 56.048 -0.080 0.000 1.272 1004 H CB -0.929 28.794 29.762 -0.065 0.000 1.497 1004 H HN -0.001 nan 8.280 nan 0.000 0.642 1005 D N 0.395 120.879 120.400 0.140 0.000 3.834 1005 D HA -0.428 4.212 4.640 -0.001 0.000 0.470 1005 D C 1.765 178.124 176.300 0.099 0.000 1.292 1005 D CA 3.843 57.911 54.000 0.114 0.000 1.406 1005 D CB -1.154 39.714 40.800 0.113 0.000 0.435 1005 D HN 0.662 nan 8.370 nan 0.000 0.789 1006 S N -1.224 114.539 115.700 0.106 0.000 2.242 1006 S HA -0.417 4.053 4.470 -0.001 0.000 0.233 1006 S C 0.881 175.526 174.600 0.074 0.000 1.183 1006 S CA 2.376 60.628 58.200 0.087 0.000 1.639 1006 S CB -1.736 61.496 63.200 0.053 0.000 2.135 1006 S HN 0.655 nan 8.310 nan 0.000 0.602 1007 E N -0.278 119.969 120.200 0.079 0.000 2.365 1007 E HA 0.109 4.458 4.350 -0.001 0.000 0.188 1007 E C 0.719 177.371 176.600 0.086 0.000 1.102 1007 E CA 0.345 56.776 56.400 0.052 0.000 0.927 1007 E CB -0.189 29.538 29.700 0.044 0.000 1.073 1007 E HN 0.924 nan 8.360 nan 0.000 0.467 1008 Y N -1.719 118.558 120.300 -0.037 0.000 2.697 1008 Y HA 0.310 4.860 4.550 -0.001 0.000 0.268 1008 Y C 2.121 177.985 175.900 -0.061 0.000 1.092 1008 Y CA 1.026 59.100 58.100 -0.044 0.000 1.304 1008 Y CB -0.257 38.178 38.460 -0.043 0.000 1.446 1008 Y HN 0.009 nan 8.280 nan 0.000 0.491 1009 G N 0.226 109.073 108.800 0.077 0.000 2.498 1009 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 1009 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 1009 G C 0.917 175.753 174.900 -0.108 0.000 1.119 1009 G CA 1.188 46.264 45.100 -0.040 0.000 0.766 1009 G HN 0.401 nan 8.290 nan 0.000 0.552 1010 D N 0.139 120.482 120.400 -0.095 0.000 2.162 1010 D HA 0.029 4.668 4.640 -0.001 0.000 0.203 1010 D C 2.600 178.766 176.300 -0.223 0.000 0.967 1010 D CA 0.595 54.520 54.000 -0.125 0.000 0.840 1010 D CB -0.083 40.668 40.800 -0.082 0.000 0.972 1010 D HN 0.277 nan 8.370 nan 0.000 0.482 1011 M N -0.279 119.154 119.600 -0.278 0.000 2.334 1011 M HA 0.057 4.537 4.480 -0.001 0.000 0.266 1011 M C 2.119 178.087 176.300 -0.552 0.000 1.082 1011 M CA 0.601 55.627 55.300 -0.458 0.000 1.141 1011 M CB 0.181 32.573 32.600 -0.346 0.000 1.380 1011 M HN -0.022 nan 8.290 nan 0.000 0.440 1012 I N 0.231 120.563 120.570 -0.397 0.000 2.315 1012 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 1012 I C 2.337 178.324 176.117 -0.217 0.000 1.117 1012 I CA 1.322 62.454 61.300 -0.280 0.000 1.404 1012 I CB -0.324 37.481 38.000 -0.325 0.000 1.071 1012 I HN 0.388 nan 8.210 nan 0.000 0.419 1013 Q N 0.601 120.270 119.800 -0.219 0.000 2.124 1013 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 1013 Q C 2.188 178.062 176.000 -0.210 0.000 0.977 1013 Q CA 1.538 57.237 55.803 -0.175 0.000 0.850 1013 Q CB -0.148 28.504 28.738 -0.144 0.000 0.901 1013 Q HN 0.393 nan 8.270 nan 0.000 0.429 1014 K N 0.444 120.659 120.400 -0.309 0.000 2.009 1014 K HA -0.193 4.126 4.320 -0.001 0.000 0.210 1014 K C 1.796 178.201 176.600 -0.326 0.000 1.049 1014 K CA 1.562 57.625 56.287 -0.373 0.000 0.929 1014 K CB -0.186 31.991 32.500 -0.538 0.000 0.714 1014 K HN 0.259 nan 8.250 nan 0.000 0.440 1015 Y N -0.053 120.134 120.300 -0.187 0.000 2.293 1015 Y HA -0.150 4.399 4.550 -0.001 0.000 0.291 1015 Y C 2.113 177.920 175.900 -0.155 0.000 1.137 1015 Y CA 0.284 58.278 58.100 -0.178 0.000 1.202 1015 Y CB 0.179 38.538 38.460 -0.169 0.000 0.990 1015 Y HN -0.092 nan 8.280 nan 0.000 0.537 1016 V N 0.022 119.918 119.914 -0.030 0.000 3.041 1016 V HA -0.204 3.916 4.120 -0.001 0.000 0.260 1016 V C 1.906 177.932 176.094 -0.114 0.000 1.105 1016 V CA 1.143 63.405 62.300 -0.063 0.000 1.125 1016 V CB -0.304 31.474 31.823 -0.075 0.000 0.730 1016 V HN 0.444 nan 8.190 nan 0.000 0.479 1017 L N -1.022 120.107 121.223 -0.156 0.000 2.127 1017 L HA -0.018 4.322 4.340 -0.001 0.000 0.203 1017 L C 2.413 179.156 176.870 -0.211 0.000 1.080 1017 L CA 0.734 55.433 54.840 -0.235 0.000 0.768 1017 L CB -0.256 41.670 42.059 -0.222 0.000 0.924 1017 L HN 0.165 nan 8.230 nan 0.000 0.444 1018 V N -0.100 119.719 119.914 -0.159 0.000 2.343 1018 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 1018 V C 2.444 178.544 176.094 0.010 0.000 1.051 1018 V CA 1.932 64.167 62.300 -0.108 0.000 1.036 1018 V CB -0.290 31.351 31.823 -0.304 0.000 0.654 1018 V HN 0.421 nan 8.190 nan 0.000 0.451 1019 M N -0.141 119.458 119.600 -0.001 0.000 2.086 1019 M HA -0.173 4.306 4.480 -0.001 0.000 0.261 1019 M C 2.146 178.459 176.300 0.023 0.000 1.067 1019 M CA 2.309 57.625 55.300 0.026 0.000 1.116 1019 M CB -0.565 32.037 32.600 0.004 0.000 1.348 1019 M HN 0.339 nan 8.290 nan 0.000 0.407 1020 T N -0.729 113.800 114.554 -0.042 0.000 2.622 1020 T HA -0.204 4.146 4.350 -0.001 0.000 0.266 1020 T C 1.522 176.255 174.700 0.055 0.000 1.047 1020 T CA 2.095 64.162 62.100 -0.055 0.000 1.159 1020 T CB -0.763 67.995 68.868 -0.184 0.000 0.863 1020 T HN 0.598 nan 8.240 nan 0.000 0.422 1021 H N -0.129 118.984 119.070 0.070 0.000 2.545 1021 H HA 0.041 4.597 4.556 -0.001 0.000 0.282 1021 H C 2.355 177.794 175.328 0.185 0.000 1.020 1021 H CA 0.695 56.822 56.048 0.131 0.000 1.243 1021 H CB 0.126 29.950 29.762 0.102 0.000 1.377 1021 H HN 0.200 nan 8.280 nan 0.000 0.581 1022 T N 0.245 114.944 114.554 0.243 0.000 2.904 1022 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 1022 T C 1.986 176.807 174.700 0.203 0.000 1.059 1022 T CA 0.556 62.774 62.100 0.196 0.000 1.137 1022 T CB -0.019 68.942 68.868 0.154 0.000 0.879 1022 T HN 0.248 nan 8.240 nan 0.000 0.467 1023 L N 1.239 122.582 121.223 0.200 0.000 2.109 1023 L HA 0.044 4.384 4.340 -0.001 0.000 0.207 1023 L C 1.600 178.651 176.870 0.302 0.000 1.086 1023 L CA 0.441 55.422 54.840 0.235 0.000 0.760 1023 L CB -0.180 41.944 42.059 0.109 0.000 0.910 1023 L HN 0.270 nan 8.230 nan 0.000 0.437 1024 S N -1.479 114.394 115.700 0.289 0.000 2.669 1024 S HA 0.484 4.954 4.470 -0.001 0.000 0.270 1024 S C 1.209 175.965 174.600 0.260 0.000 1.225 1024 S CA -0.245 58.151 58.200 0.328 0.000 0.991 1024 S CB 1.434 64.868 63.200 0.391 0.000 0.987 1024 S HN 0.473 nan 8.310 nan 0.000 0.552 1025 G N 1.276 110.143 108.800 0.111 0.000 3.718 1025 G HA2 -0.425 3.534 3.960 -0.001 0.000 0.224 1025 G HA3 -0.425 3.534 3.960 -0.001 0.000 0.224 1025 G C 1.266 176.086 174.900 -0.134 0.000 1.328 1025 G CA 1.153 46.063 45.100 -0.317 0.000 0.974 1025 G HN 1.772 nan 8.290 nan 0.000 0.579 1026 S N 1.624 117.287 115.700 -0.063 0.000 2.711 1026 S HA 0.142 4.612 4.470 -0.001 0.000 0.237 1026 S C 2.212 176.751 174.600 -0.102 0.000 0.971 1026 S CA 1.633 59.792 58.200 -0.067 0.000 0.964 1026 S CB -0.654 62.550 63.200 0.007 0.000 0.775 1026 S HN 1.537 nan 8.310 nan 0.000 0.540 1027 S N 0.378 116.111 115.700 0.056 0.000 2.527 1027 S HA 0.201 4.670 4.470 -0.001 0.000 0.222 1027 S C 1.467 176.109 174.600 0.069 0.000 0.985 1027 S CA -0.040 58.298 58.200 0.230 0.000 0.921 1027 S CB -0.384 62.973 63.200 0.262 0.000 0.772 1027 S HN 0.582 nan 8.310 nan 0.000 0.529 1028 L N 0.575 121.765 121.223 -0.054 0.000 2.552 1028 L HA 0.256 4.595 4.340 -0.001 0.000 0.227 1028 L C 1.533 178.337 176.870 -0.111 0.000 1.146 1028 L CA 0.468 55.288 54.840 -0.034 0.000 0.858 1028 L CB -0.305 41.749 42.059 -0.008 0.000 0.969 1028 L HN 0.346 nan 8.230 nan 0.000 0.451 1029 L N -1.393 119.628 121.223 -0.337 0.000 2.592 1029 L HA 0.123 4.463 4.340 -0.001 0.000 0.227 1029 L C 0.203 176.874 176.870 -0.332 0.000 1.127 1029 L CA -0.085 54.534 54.840 -0.369 0.000 0.884 1029 L CB -0.113 41.663 42.059 -0.472 0.000 1.065 1029 L HN 0.027 nan 8.230 nan 0.000 0.457 1030 F N -0.496 119.472 119.950 0.030 0.000 2.399 1030 F HA 0.326 4.853 4.527 -0.001 0.000 0.328 1030 F C 0.252 176.085 175.800 0.055 0.000 1.084 1030 F CA -0.916 57.098 58.000 0.023 0.000 1.053 1030 F CB 1.020 40.020 39.000 0.001 0.000 1.209 1030 F HN -0.221 nan 8.300 nan 0.000 0.502 1031 D N 2.149 122.720 120.400 0.284 0.000 2.425 1031 D HA 0.358 4.997 4.640 -0.001 0.000 0.240 1031 D C -1.772 174.636 176.300 0.180 0.000 1.080 1031 D CA -2.161 51.974 54.000 0.225 0.000 0.836 1031 D CB 1.770 42.736 40.800 0.277 0.000 1.125 1031 D HN 0.079 nan 8.370 nan 0.000 0.525 1032 P HA -0.108 nan 4.420 nan 0.000 0.216 1032 P C 0.414 177.736 177.300 0.036 0.000 1.154 1032 P CA 0.929 64.071 63.100 0.070 0.000 0.865 1032 P CB 0.346 32.082 31.700 0.060 0.000 0.789 1033 D N -2.119 118.286 120.400 0.008 0.000 2.323 1033 D HA -0.055 4.585 4.640 -0.001 0.000 0.209 1033 D C 1.589 177.686 176.300 -0.339 0.000 0.973 1033 D CA 0.173 54.062 54.000 -0.185 0.000 0.874 1033 D CB -0.736 39.915 40.800 -0.248 0.000 0.930 1033 D HN 0.161 nan 8.370 nan 0.000 0.521 1034 F N 2.366 122.189 119.950 -0.212 0.000 2.127 1034 F HA -0.342 4.184 4.527 -0.001 0.000 0.299 1034 F C 1.686 177.394 175.800 -0.153 0.000 1.068 1034 F CA 1.448 59.382 58.000 -0.110 0.000 1.263 1034 F CB -0.034 38.987 39.000 0.036 0.000 1.016 1034 F HN -0.068 nan 8.300 nan 0.000 0.491 1035 N N 0.336 119.084 118.700 0.081 0.000 2.396 1035 N HA -0.119 4.621 4.740 -0.001 0.000 0.180 1035 N C 1.732 177.175 175.510 -0.112 0.000 1.028 1035 N CA 0.801 53.878 53.050 0.044 0.000 0.893 1035 N CB -0.275 38.261 38.487 0.082 0.000 0.967 1035 N HN 0.442 nan 8.380 nan 0.000 0.440 1036 K N 0.074 120.320 120.400 -0.257 0.000 2.026 1036 K HA -0.075 4.245 4.320 -0.001 0.000 0.208 1036 K C 0.462 176.979 176.600 -0.139 0.000 1.048 1036 K CA 1.008 57.156 56.287 -0.232 0.000 0.929 1036 K CB 0.041 32.335 32.500 -0.343 0.000 0.713 1036 K HN 0.204 nan 8.250 nan 0.000 0.439 1037 Y N 0.000 120.218 120.300 -0.136 0.000 2.660 1037 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 1037 Y CA 0.000 57.979 58.100 -0.202 0.000 1.940 1037 Y CB 0.000 38.320 38.460 -0.233 0.000 1.050 1037 Y HN 0.000 nan 8.280 nan 0.000 0.758