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 3eg9_1_B DATA FIRST_RESID 1 DATA SEQUENCE AMGXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXSPIQ VIENDRASRG GQVYATNTRG QIPPLVTTDC DATA SEQUENCE MIQDQGNASP RFIRCTTYCF PCTSDMAKQA QIPLAAVIKP FATIPSNESP DATA SEQUENCE LYLVNHGESG PVRCNRCKAY MCPFMQFIEG GRRYQCGFCN CVNDVPPFYF DATA SEQUENCE QHLDHIGRRL DHYEKPELSL GSYEYVATLD YCRKSKPPNP PAFIFMIDVS DATA SEQUENCE YSNIKNGLVK LICEELKTML EKIPKEEQEE TSAIRVGFIT YNKVLHFFNV DATA SEQUENCE KSNLAQPQMM VVTDVGEVFV PLLDGFLVNY QESQSVIHNL LDQIPDMFAD DATA SEQUENCE SNENETVFAP VIQAGMEALK AADCPGKLFI FHSSLPTAEA PGKLKNRDDK DATA SEQUENCE KLVNTDKEKI LFQPQTNVYD SLAKDCVAHG CSVTLFLFPS QYVDVASLGL DATA SEQUENCE VPQLTGGTLY KYNNFQMHLD RQQFLNDLRN DIEKKIGFDA IMRVRTSTGF DATA SEQUENCE RATDFFGGIL MNNTTDVEMA AIDCDKAVTV EFKHDDKLSE DSGALIQCAV DATA SEQUENCE LYTTISGQRR LRIHNLGLNC SSQLADLYKS CETDALINFF AKSAFKAVLH DATA SEQUENCE QPLKVIREIL VNQTAHMLAC YRKNCASPSA ASQLILPDSM KVLPVYMNCL DATA SEQUENCE LKNCVLLSRP EISTDERAYQ RQLVMTMGVA DSQLFFYPQL LPIHTLDVKS DATA SEQUENCE TMLPAAVRCS ESRLSEEGIF LLANGLHMFL WLGVSSPPEL IQGIFNVPSF DATA SEQUENCE AHINTDMTLL PEVGNPYSQQ LRMIMGIIQQ KRPYSMKLTI VKQREQPEMV DATA SEQUENCE FRQFLVEDKG XXXGSSYVDF LCCVHKEICQ LLN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.582 177.584 -0.003 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 M N 2.755 122.372 119.600 0.029 0.000 2.288 2 M HA 0.684 5.166 4.480 0.003 0.000 0.334 2 M C 0.866 177.195 176.300 0.048 0.000 1.150 2 M CA 0.465 55.801 55.300 0.060 0.000 1.118 2 M CB 1.023 33.716 32.600 0.156 0.000 1.501 2 M HN 1.152 nan 8.290 nan 0.000 0.462 268 P HA 0.091 nan 4.420 nan 0.000 0.216 268 P C 1.543 178.768 177.300 -0.126 0.000 1.153 268 P CA 1.127 64.001 63.100 -0.378 0.000 0.848 268 P CB -0.078 31.122 31.700 -0.833 0.000 0.787 269 I N -0.758 119.803 120.570 -0.015 0.000 2.179 269 I HA -0.291 3.881 4.170 0.003 0.000 0.242 269 I C 2.506 178.634 176.117 0.019 0.000 1.088 269 I CA 1.585 62.918 61.300 0.055 0.000 1.357 269 I CB -0.811 37.244 38.000 0.092 0.000 1.051 269 I HN 0.016 nan 8.210 nan 0.000 0.409 270 Q N 0.261 120.059 119.800 -0.003 0.000 2.061 270 Q HA -0.186 4.156 4.340 0.003 0.000 0.204 270 Q C 2.488 178.478 176.000 -0.016 0.000 0.984 270 Q CA 1.637 57.436 55.803 -0.005 0.000 0.846 270 Q CB -0.294 28.437 28.738 -0.010 0.000 0.902 270 Q HN 0.392 nan 8.270 nan 0.000 0.421 271 V N 1.204 121.092 119.914 -0.043 0.000 2.343 271 V HA -0.268 3.855 4.120 0.003 0.000 0.247 271 V C 2.159 178.243 176.094 -0.018 0.000 1.051 271 V CA 1.647 63.920 62.300 -0.045 0.000 1.036 271 V CB -0.441 31.329 31.823 -0.088 0.000 0.654 271 V HN 0.337 nan 8.190 nan 0.000 0.451 272 I N -0.508 120.061 120.570 -0.003 0.000 2.252 272 I HA -0.224 3.948 4.170 0.003 0.000 0.245 272 I C 2.507 178.635 176.117 0.019 0.000 1.102 272 I CA 1.577 62.891 61.300 0.023 0.000 1.385 272 I CB -0.345 37.687 38.000 0.054 0.000 1.064 272 I HN 0.349 nan 8.210 nan 0.000 0.414 273 E N 0.833 121.044 120.200 0.019 0.000 2.047 273 E HA -0.181 4.171 4.350 0.003 0.000 0.191 273 E C 1.944 178.550 176.600 0.010 0.000 0.987 273 E CA 1.000 57.411 56.400 0.019 0.000 0.799 273 E CB 0.054 29.768 29.700 0.023 0.000 0.752 273 E HN 0.409 nan 8.360 nan 0.000 0.449 274 N N 1.019 119.721 118.700 0.004 0.000 2.104 274 N HA -0.195 4.547 4.740 0.003 0.000 0.190 274 N C 1.428 176.937 175.510 -0.002 0.000 1.024 274 N CA 1.437 54.487 53.050 0.001 0.000 0.853 274 N CB -0.424 38.061 38.487 -0.004 0.000 1.008 274 N HN 0.174 nan 8.380 nan 0.000 0.424 275 D N 0.332 120.729 120.400 -0.005 0.000 2.144 275 D HA 0.004 4.646 4.640 0.003 0.000 0.200 275 D C 1.927 178.221 176.300 -0.010 0.000 0.978 275 D CA 0.735 54.728 54.000 -0.012 0.000 0.833 275 D CB 0.162 40.951 40.800 -0.018 0.000 0.961 275 D HN 0.121 nan 8.370 nan 0.000 0.470 276 R N -0.201 120.298 120.500 -0.002 0.000 2.120 276 R HA -0.045 4.297 4.340 0.003 0.000 0.234 276 R C 2.127 178.429 176.300 0.003 0.000 1.123 276 R CA 0.995 57.096 56.100 0.001 0.000 0.975 276 R CB -0.143 30.163 30.300 0.009 0.000 0.866 276 R HN 0.161 nan 8.270 nan 0.000 0.446 277 A N 0.733 123.555 122.820 0.004 0.000 1.825 277 A HA -0.172 4.150 4.320 0.003 0.000 0.214 277 A C 2.153 179.740 177.584 0.005 0.000 1.206 277 A CA 1.917 53.957 52.037 0.006 0.000 0.609 277 A CB -0.756 18.248 19.000 0.007 0.000 0.851 277 A HN 0.423 nan 8.150 nan 0.000 0.445 278 S N -1.095 114.607 115.700 0.003 0.000 2.453 278 S HA -0.024 4.449 4.470 0.003 0.000 0.231 278 S C 1.726 176.328 174.600 0.004 0.000 1.005 278 S CA 1.045 59.248 58.200 0.004 0.000 0.949 278 S CB -0.142 63.060 63.200 0.003 0.000 0.774 278 S HN 0.540 nan 8.310 nan 0.000 0.510 279 R N 0.668 121.166 120.500 -0.003 0.000 2.369 279 R HA 0.281 4.623 4.340 0.003 0.000 0.210 279 R C 1.266 177.563 176.300 -0.005 0.000 0.881 279 R CA 0.497 56.593 56.100 -0.007 0.000 1.031 279 R CB -0.186 30.093 30.300 -0.035 0.000 1.184 279 R HN 0.444 nan 8.270 nan 0.000 0.581 280 G N -0.246 108.551 108.800 -0.005 0.000 2.699 280 G HA2 0.280 4.242 3.960 0.003 0.000 0.246 280 G HA3 0.280 4.242 3.960 0.003 0.000 0.246 280 G C 0.763 175.668 174.900 0.009 0.000 1.219 280 G CA 0.365 45.465 45.100 -0.001 0.000 0.866 280 G HN 0.277 nan 8.290 nan 0.000 0.572 281 G N -1.267 107.540 108.800 0.012 0.000 2.309 281 G HA2 -0.258 3.704 3.960 0.003 0.000 0.286 281 G HA3 -0.258 3.704 3.960 0.003 0.000 0.286 281 G C 0.352 175.266 174.900 0.023 0.000 1.002 281 G CA 1.226 46.336 45.100 0.017 0.000 0.786 281 G HN 0.810 nan 8.290 nan 0.000 0.511 282 Q N -1.572 118.245 119.800 0.029 0.000 2.423 282 Q HA 0.593 4.935 4.340 0.003 0.000 0.278 282 Q C -0.284 175.754 176.000 0.063 0.000 1.097 282 Q CA -1.074 54.754 55.803 0.041 0.000 0.809 282 Q CB 2.847 31.610 28.738 0.042 0.000 1.391 282 Q HN 0.090 nan 8.270 nan 0.000 0.428 283 V N 2.001 121.955 119.914 0.067 0.000 2.555 283 V HA 0.044 4.166 4.120 0.003 0.000 0.286 283 V C -0.965 175.210 176.094 0.135 0.000 1.044 283 V CA 0.032 62.383 62.300 0.084 0.000 1.026 283 V CB 0.249 32.104 31.823 0.054 0.000 0.981 283 V HN 0.578 nan 8.190 nan 0.000 0.480 284 Y N 5.014 125.316 120.300 0.005 0.000 2.402 284 Y HA 0.659 5.211 4.550 0.004 0.000 0.332 284 Y C 0.205 176.114 175.900 0.014 0.000 0.960 284 Y CA -1.140 56.961 58.100 0.001 0.000 1.228 284 Y CB 0.855 39.308 38.460 -0.011 0.000 1.120 284 Y HN 0.671 nan 8.280 nan 0.000 0.491 285 A N 3.963 126.600 122.820 -0.306 0.000 2.260 285 A HA 0.406 4.728 4.320 0.003 0.000 0.308 285 A C 0.329 177.631 177.584 -0.470 0.000 1.254 285 A CA -0.274 51.603 52.037 -0.266 0.000 0.874 285 A CB -0.154 18.775 19.000 -0.118 0.000 1.153 285 A HN 0.826 nan 8.150 nan 0.000 0.527 286 T N 0.192 114.531 114.554 -0.357 0.000 4.058 286 T HA 0.147 4.499 4.350 0.003 0.000 0.252 286 T C 0.435 175.067 174.700 -0.113 0.000 1.264 286 T CA -0.049 61.879 62.100 -0.288 0.000 1.094 286 T CB -1.022 67.779 68.868 -0.111 0.000 1.316 286 T HN 0.706 nan 8.240 nan 0.000 0.872 287 N N -0.252 118.380 118.700 -0.113 0.000 2.348 287 N HA 0.070 4.812 4.740 0.003 0.000 0.183 287 N C 0.235 175.742 175.510 -0.006 0.000 1.094 287 N CA -0.195 52.838 53.050 -0.029 0.000 0.885 287 N CB 0.072 38.550 38.487 -0.015 0.000 1.065 287 N HN 0.314 nan 8.380 nan 0.000 0.472 288 T N 0.335 114.871 114.554 -0.030 0.000 2.918 288 T HA 0.230 4.582 4.350 0.003 0.000 0.283 288 T C 0.760 175.477 174.700 0.028 0.000 1.001 288 T CA -0.697 61.405 62.100 0.002 0.000 1.041 288 T CB 2.451 71.316 68.868 -0.006 0.000 1.028 288 T HN 0.077 nan 8.240 nan 0.000 0.511 289 R N 1.251 121.775 120.500 0.040 0.000 2.053 289 R HA 0.036 4.378 4.340 0.003 0.000 0.174 289 R C 2.066 178.398 176.300 0.054 0.000 0.971 289 R CA 1.141 57.270 56.100 0.049 0.000 1.242 289 R CB -1.021 29.290 30.300 0.018 0.000 0.679 289 R HN 0.770 nan 8.270 nan 0.000 0.567 290 G N 1.686 110.509 108.800 0.038 0.000 3.286 290 G HA2 -0.162 3.800 3.960 0.003 0.000 0.213 290 G HA3 -0.162 3.800 3.960 0.003 0.000 0.213 290 G C 0.168 175.128 174.900 0.100 0.000 1.274 290 G CA -0.130 45.015 45.100 0.074 0.000 1.218 290 G HN 0.504 nan 8.290 nan 0.000 0.504 291 Q N 0.339 120.179 119.800 0.068 0.000 2.274 291 Q HA 0.164 4.506 4.340 0.003 0.000 0.280 291 Q C 0.014 175.975 176.000 -0.066 0.000 1.047 291 Q CA -0.263 55.563 55.803 0.037 0.000 0.907 291 Q CB 0.320 29.082 28.738 0.039 0.000 1.171 291 Q HN 0.308 nan 8.270 nan 0.000 0.381 292 I N 8.506 129.008 120.570 -0.112 0.000 2.452 292 I HA 0.181 4.353 4.170 0.003 0.000 0.287 292 I C -1.735 174.207 176.117 -0.292 0.000 1.079 292 I CA -1.721 59.373 61.300 -0.343 0.000 1.387 292 I CB 0.559 38.472 38.000 -0.144 0.000 1.404 292 I HN 0.618 nan 8.210 nan 0.000 0.522 293 P HA 0.436 nan 4.420 nan 0.000 0.281 293 P C -2.695 174.319 177.300 -0.477 0.000 1.264 293 P CA -1.992 60.718 63.100 -0.650 0.000 0.824 293 P CB 0.439 31.804 31.700 -0.560 0.000 1.092 294 P HA 0.161 nan 4.420 nan 0.000 0.273 294 P C -0.074 177.116 177.300 -0.184 0.000 1.250 294 P CA -0.103 62.828 63.100 -0.281 0.000 0.793 294 P CB 0.257 31.794 31.700 -0.271 0.000 1.011 295 L N 0.368 121.533 121.223 -0.098 0.000 2.464 295 L HA 0.049 4.391 4.340 0.003 0.000 0.264 295 L C 1.948 178.793 176.870 -0.042 0.000 1.199 295 L CA -0.477 54.338 54.840 -0.042 0.000 0.818 295 L CB 0.076 42.131 42.059 -0.006 0.000 1.102 295 L HN 0.243 nan 8.230 nan 0.000 0.473 296 V N -2.262 117.644 119.914 -0.013 0.000 2.759 296 V HA -0.179 3.943 4.120 0.003 0.000 0.256 296 V C 1.990 178.082 176.094 -0.004 0.000 1.080 296 V CA 1.733 64.025 62.300 -0.014 0.000 1.101 296 V CB -1.369 30.457 31.823 0.004 0.000 0.698 296 V HN 1.049 nan 8.190 nan 0.000 0.477 297 T N -2.319 112.241 114.554 0.011 0.000 3.118 297 T HA 0.042 4.394 4.350 0.003 0.000 0.260 297 T C 0.819 175.525 174.700 0.010 0.000 1.139 297 T CA 0.844 62.958 62.100 0.024 0.000 1.085 297 T CB -0.699 68.198 68.868 0.048 0.000 0.934 297 T HN 0.550 nan 8.240 nan 0.000 0.518 298 T N 2.937 117.484 114.554 -0.012 0.000 2.767 298 T HA 0.313 4.665 4.350 0.003 0.000 0.284 298 T C -0.769 173.915 174.700 -0.026 0.000 0.973 298 T CA -0.691 61.397 62.100 -0.020 0.000 0.996 298 T CB 1.292 70.136 68.868 -0.039 0.000 0.927 298 T HN 0.123 nan 8.240 nan 0.000 0.456 299 D N 3.050 123.443 120.400 -0.013 0.000 2.380 299 D HA 0.356 4.998 4.640 0.003 0.000 0.230 299 D C 0.200 176.495 176.300 -0.008 0.000 1.154 299 D CA -0.160 53.834 54.000 -0.010 0.000 0.859 299 D CB 0.364 41.164 40.800 0.000 0.000 1.045 299 D HN 0.692 nan 8.370 nan 0.000 0.495 300 C N 1.373 120.666 119.300 -0.012 0.000 3.044 300 C HA 0.724 5.186 4.460 0.003 0.000 0.315 300 C C 0.049 175.052 174.990 0.021 0.000 1.320 300 C CA -1.171 57.850 59.018 0.006 0.000 1.582 300 C CB 1.224 28.963 27.740 -0.001 0.000 2.039 300 C HN 0.525 nan 8.230 nan 0.000 0.466 301 M N 1.910 121.535 119.600 0.042 0.000 2.264 301 M HA 0.645 5.127 4.480 0.003 0.000 0.352 301 M C -1.326 175.024 176.300 0.084 0.000 1.173 301 M CA -0.412 54.916 55.300 0.048 0.000 1.075 301 M CB 0.705 33.331 32.600 0.042 0.000 1.621 301 M HN 0.749 nan 8.290 nan 0.000 0.457 302 I N 3.940 124.557 120.570 0.078 0.000 2.433 302 I HA 0.319 4.491 4.170 0.003 0.000 0.292 302 I C -0.645 175.521 176.117 0.081 0.000 1.001 302 I CA -0.562 60.808 61.300 0.116 0.000 1.119 302 I CB 2.018 40.095 38.000 0.128 0.000 1.289 302 I HN 0.637 nan 8.210 nan 0.000 0.438 303 Q N 5.735 125.577 119.800 0.069 0.000 2.327 303 Q HA 0.171 4.513 4.340 0.003 0.000 0.270 303 Q C 0.003 176.032 176.000 0.049 0.000 1.022 303 Q CA -0.564 55.274 55.803 0.057 0.000 0.773 303 Q CB 1.750 30.514 28.738 0.044 0.000 1.251 303 Q HN 0.669 nan 8.270 nan 0.000 0.457 304 D N 2.860 123.309 120.400 0.082 0.000 2.095 304 D HA -0.279 4.363 4.640 0.003 0.000 0.264 304 D C -0.109 176.219 176.300 0.047 0.000 1.305 304 D CA 2.233 56.285 54.000 0.087 0.000 1.096 304 D CB 0.271 41.145 40.800 0.124 0.000 1.843 304 D HN 0.918 nan 8.370 nan 0.000 0.618 305 Q N -1.923 117.912 119.800 0.059 0.000 2.504 305 Q HA -0.187 4.155 4.340 0.003 0.000 0.269 305 Q C 0.389 176.407 176.000 0.030 0.000 0.970 305 Q CA 1.067 56.899 55.803 0.048 0.000 1.064 305 Q CB -1.417 27.342 28.738 0.036 0.000 1.355 305 Q HN 0.670 nan 8.270 nan 0.000 0.557 306 G N -1.019 107.791 108.800 0.017 0.000 2.906 306 G HA2 -0.171 3.791 3.960 0.003 0.000 0.196 306 G HA3 -0.171 3.791 3.960 0.003 0.000 0.196 306 G C -0.420 174.480 174.900 -0.001 0.000 2.215 306 G CA -0.186 44.913 45.100 -0.003 0.000 1.518 306 G HN 0.197 nan 8.290 nan 0.000 0.495 307 N N 1.881 120.614 118.700 0.054 0.000 2.492 307 N HA 0.605 5.348 4.740 0.003 0.000 0.289 307 N C 0.487 176.071 175.510 0.124 0.000 1.133 307 N CA 0.409 53.529 53.050 0.115 0.000 0.961 307 N CB 1.654 40.231 38.487 0.150 0.000 1.186 307 N HN 0.831 nan 8.380 nan 0.000 0.493 308 A N 1.019 123.936 122.820 0.160 0.000 2.520 308 A HA 0.054 4.376 4.320 0.003 0.000 0.235 308 A C 0.819 178.533 177.584 0.218 0.000 1.065 308 A CA 0.009 52.159 52.037 0.187 0.000 0.764 308 A CB 0.016 19.113 19.000 0.162 0.000 1.002 308 A HN 0.587 nan 8.150 nan 0.000 0.502 309 S N 2.507 118.374 115.700 0.278 0.000 2.558 309 S HA 0.198 4.670 4.470 0.003 0.000 0.288 309 S C -0.972 173.715 174.600 0.144 0.000 1.318 309 S CA -0.581 57.740 58.200 0.201 0.000 1.056 309 S CB 0.405 63.670 63.200 0.108 0.000 0.853 309 S HN 0.565 nan 8.310 nan 0.000 0.505 310 P HA -0.062 nan 4.420 nan 0.000 0.231 310 P C 0.723 178.017 177.300 -0.009 0.000 1.158 310 P CA 0.744 63.898 63.100 0.090 0.000 0.763 310 P CB 0.063 31.783 31.700 0.034 0.000 0.805 311 R N -1.388 119.035 120.500 -0.127 0.000 2.148 311 R HA 0.046 4.388 4.340 0.003 0.000 0.223 311 R C 2.113 178.220 176.300 -0.321 0.000 1.088 311 R CA 1.047 56.986 56.100 -0.268 0.000 0.985 311 R CB -0.502 29.537 30.300 -0.435 0.000 0.880 311 R HN 0.277 nan 8.270 nan 0.000 0.451 312 F N -0.005 119.877 119.950 -0.113 0.000 2.374 312 F HA 0.231 4.760 4.527 0.003 0.000 0.291 312 F C 1.105 176.804 175.800 -0.169 0.000 1.084 312 F CA 0.104 57.955 58.000 -0.248 0.000 1.413 312 F CB 0.664 39.274 39.000 -0.650 0.000 1.099 312 F HN -0.107 nan 8.300 nan 0.000 0.534 313 I N -0.148 120.481 120.570 0.099 0.000 2.667 313 I HA 0.369 4.541 4.170 0.003 0.000 0.288 313 I C -1.098 175.117 176.117 0.163 0.000 1.267 313 I CA -0.515 60.855 61.300 0.115 0.000 1.055 313 I CB 1.310 39.380 38.000 0.118 0.000 1.294 313 I HN -0.129 nan 8.210 nan 0.000 0.429 314 R N 5.165 125.755 120.500 0.151 0.000 2.828 314 R HA 0.853 5.195 4.340 0.003 0.000 0.264 314 R C -1.317 175.030 176.300 0.077 0.000 1.022 314 R CA -0.491 55.739 56.100 0.217 0.000 1.021 314 R CB 2.108 32.519 30.300 0.185 0.000 1.163 314 R HN 0.638 nan 8.270 nan 0.000 0.494 315 C N -0.368 118.856 119.300 -0.126 0.000 2.971 315 C HA 0.301 4.764 4.460 0.003 0.000 0.310 315 C C 1.805 176.607 174.990 -0.315 0.000 1.285 315 C CA -0.652 58.149 59.018 -0.362 0.000 1.593 315 C CB 2.028 29.334 27.740 -0.723 0.000 2.076 315 C HN 1.008 nan 8.230 nan 0.000 0.472 316 T N -1.847 112.575 114.554 -0.220 0.000 2.995 316 T HA 0.069 4.421 4.350 0.003 0.000 0.269 316 T C 0.509 175.117 174.700 -0.153 0.000 1.091 316 T CA 1.071 63.065 62.100 -0.177 0.000 1.128 316 T CB -0.168 68.534 68.868 -0.278 0.000 0.891 316 T HN 0.722 nan 8.240 nan 0.000 0.492 317 T N 0.295 114.720 114.554 -0.216 0.000 3.097 317 T HA 0.419 4.771 4.350 0.003 0.000 0.332 317 T C -1.361 173.232 174.700 -0.178 0.000 1.269 317 T CA -0.697 61.347 62.100 -0.094 0.000 1.076 317 T CB 1.512 70.343 68.868 -0.061 0.000 1.209 317 T HN 0.090 nan 8.240 nan 0.000 0.474 318 Y N 0.451 120.796 120.300 0.074 0.000 2.571 318 Y HA 0.459 5.011 4.550 0.003 0.000 0.275 318 Y C 0.932 176.832 175.900 0.001 0.000 1.179 318 Y CA -0.655 57.465 58.100 0.035 0.000 1.242 318 Y CB 0.696 39.176 38.460 0.034 0.000 1.126 318 Y HN 0.568 nan 8.280 nan 0.000 0.524 319 C N 1.590 120.973 119.300 0.139 0.000 2.781 319 C HA 0.491 4.954 4.460 0.003 0.000 0.348 319 C C -0.781 174.319 174.990 0.184 0.000 1.051 319 C CA -1.411 57.665 59.018 0.096 0.000 1.347 319 C CB -1.478 26.313 27.740 0.085 0.000 1.846 319 C HN 0.151 nan 8.230 nan 0.000 0.473 320 F N 6.542 126.376 119.950 -0.194 0.000 2.459 320 F HA 0.408 4.938 4.527 0.004 0.000 0.346 320 F C -1.299 174.428 175.800 -0.121 0.000 1.128 320 F CA -2.177 55.685 58.000 -0.229 0.000 1.268 320 F CB 0.446 39.192 39.000 -0.422 0.000 1.161 320 F HN 0.440 nan 8.300 nan 0.000 0.583 321 P HA 0.028 nan 4.420 nan 0.000 0.271 321 P C 0.350 177.731 177.300 0.135 0.000 1.218 321 P CA -0.047 63.090 63.100 0.061 0.000 0.780 321 P CB 0.930 32.644 31.700 0.022 0.000 0.901 322 C N 1.130 120.455 119.300 0.042 0.000 2.467 322 C HA 0.006 4.468 4.460 0.003 0.000 0.279 322 C C 1.614 176.542 174.990 -0.102 0.000 1.347 322 C CA 1.642 60.679 59.018 0.030 0.000 1.748 322 C CB -0.917 26.824 27.740 0.002 0.000 1.977 322 C HN 0.729 nan 8.230 nan 0.000 0.501 323 T N -3.658 110.722 114.554 -0.289 0.000 2.926 323 T HA 0.348 4.700 4.350 0.003 0.000 0.289 323 T C 0.805 175.027 174.700 -0.796 0.000 1.054 323 T CA 0.236 62.053 62.100 -0.472 0.000 1.015 323 T CB 1.426 70.170 68.868 -0.206 0.000 1.167 323 T HN -0.000 nan 8.240 nan 0.000 0.526 324 S N 0.059 115.383 115.700 -0.628 0.000 2.383 324 S HA -0.126 4.346 4.470 0.003 0.000 0.227 324 S C 1.366 175.879 174.600 -0.146 0.000 1.026 324 S CA 1.669 59.669 58.200 -0.333 0.000 0.981 324 S CB -0.912 62.236 63.200 -0.088 0.000 0.818 324 S HN 0.728 nan 8.310 nan 0.000 0.472 325 D N 0.982 121.311 120.400 -0.119 0.000 2.144 325 D HA -0.114 4.528 4.640 0.003 0.000 0.199 325 D C 1.914 178.190 176.300 -0.039 0.000 0.984 325 D CA 1.107 55.075 54.000 -0.053 0.000 0.834 325 D CB -0.351 40.426 40.800 -0.038 0.000 0.955 325 D HN 0.467 nan 8.370 nan 0.000 0.465 326 M N 1.123 120.682 119.600 -0.069 0.000 2.084 326 M HA -0.209 4.273 4.480 0.003 0.000 0.259 326 M C 2.303 178.593 176.300 -0.017 0.000 1.072 326 M CA 1.990 57.270 55.300 -0.033 0.000 1.107 326 M CB -0.114 32.457 32.600 -0.049 0.000 1.299 326 M HN 0.004 nan 8.290 nan 0.000 0.413 327 A N 0.500 123.296 122.820 -0.039 0.000 1.940 327 A HA -0.295 4.027 4.320 0.003 0.000 0.221 327 A C 2.029 179.609 177.584 -0.007 0.000 1.190 327 A CA 2.517 54.546 52.037 -0.014 0.000 0.647 327 A CB -0.936 18.108 19.000 0.073 0.000 0.821 327 A HN 0.654 nan 8.150 nan 0.000 0.457 328 K N -0.959 119.442 120.400 0.001 0.000 2.148 328 K HA -0.159 4.164 4.320 0.003 0.000 0.204 328 K C 2.372 179.009 176.600 0.063 0.000 1.050 328 K CA 1.510 57.803 56.287 0.010 0.000 0.942 328 K CB -0.177 32.328 32.500 0.008 0.000 0.724 328 K HN 0.682 nan 8.250 nan 0.000 0.446 329 Q N 0.171 120.025 119.800 0.090 0.000 1.993 329 Q HA -0.134 4.208 4.340 0.003 0.000 0.202 329 Q C 2.256 178.414 176.000 0.264 0.000 0.984 329 Q CA 1.644 57.547 55.803 0.167 0.000 0.837 329 Q CB -0.197 28.608 28.738 0.111 0.000 0.902 329 Q HN 0.331 nan 8.270 nan 0.000 0.423 330 A N 0.313 123.239 122.820 0.177 0.000 1.898 330 A HA -0.210 4.112 4.320 0.003 0.000 0.216 330 A C 1.023 178.724 177.584 0.194 0.000 1.181 330 A CA 1.245 53.403 52.037 0.201 0.000 0.620 330 A CB -0.218 18.793 19.000 0.018 0.000 0.819 330 A HN 0.497 nan 8.150 nan 0.000 0.442 331 Q N -1.904 117.937 119.800 0.069 0.000 2.494 331 Q HA -0.168 4.175 4.340 0.003 0.000 0.266 331 Q C -0.879 175.132 176.000 0.018 0.000 1.053 331 Q CA 0.536 56.343 55.803 0.007 0.000 1.029 331 Q CB -1.488 27.210 28.738 -0.066 0.000 1.423 331 Q HN 0.728 nan 8.270 nan 0.000 0.516 332 I N 2.886 123.417 120.570 -0.064 0.000 2.322 332 I HA 0.176 4.348 4.170 0.003 0.000 0.292 332 I C -1.601 174.356 176.117 -0.266 0.000 1.060 332 I CA -1.793 59.428 61.300 -0.132 0.000 1.309 332 I CB 0.518 38.367 38.000 -0.252 0.000 1.415 332 I HN -0.103 nan 8.210 nan 0.000 0.492 333 P HA 0.028 nan 4.420 nan 0.000 0.263 333 P C -0.969 175.918 177.300 -0.688 0.000 1.195 333 P CA -0.141 62.574 63.100 -0.642 0.000 0.762 333 P CB 0.529 31.527 31.700 -1.170 0.000 0.799 334 L N 3.110 123.962 121.223 -0.619 0.000 2.261 334 L HA 0.665 5.007 4.340 0.003 0.000 0.289 334 L C 0.721 177.381 176.870 -0.350 0.000 1.059 334 L CA -0.309 54.150 54.840 -0.634 0.000 0.816 334 L CB -0.238 41.202 42.059 -1.033 0.000 1.191 334 L HN 0.493 nan 8.230 nan 0.000 0.431 335 A N 2.903 125.588 122.820 -0.224 0.000 2.588 335 A HA 0.973 5.295 4.320 0.003 0.000 0.290 335 A C -1.365 176.270 177.584 0.085 0.000 1.136 335 A CA -0.230 51.735 52.037 -0.120 0.000 0.681 335 A CB 1.807 20.533 19.000 -0.457 0.000 1.282 335 A HN 0.752 nan 8.150 nan 0.000 0.421 336 A N -0.204 122.663 122.820 0.079 0.000 2.422 336 A HA 0.664 4.986 4.320 0.003 0.000 0.302 336 A C -1.240 176.388 177.584 0.073 0.000 1.041 336 A CA -0.420 51.700 52.037 0.138 0.000 0.708 336 A CB 1.418 20.619 19.000 0.335 0.000 1.257 336 A HN 1.441 nan 8.150 nan 0.000 0.414 337 V N 3.683 123.639 119.914 0.069 0.000 2.364 337 V HA 0.355 4.477 4.120 0.003 0.000 0.272 337 V C -0.319 175.829 176.094 0.090 0.000 1.036 337 V CA 0.049 62.388 62.300 0.065 0.000 0.880 337 V CB 0.628 32.476 31.823 0.043 0.000 0.991 337 V HN 0.661 nan 8.190 nan 0.000 0.460 338 I N 5.252 125.885 120.570 0.105 0.000 2.382 338 I HA 0.457 4.629 4.170 0.003 0.000 0.286 338 I C 0.133 176.322 176.117 0.121 0.000 1.002 338 I CA -0.449 60.923 61.300 0.120 0.000 1.135 338 I CB 1.526 39.618 38.000 0.153 0.000 1.288 338 I HN 0.473 nan 8.210 nan 0.000 0.448 339 K N 8.298 128.774 120.400 0.126 0.000 2.533 339 K HA 0.353 4.675 4.320 0.003 0.000 0.207 339 K C -2.036 174.723 176.600 0.264 0.000 1.052 339 K CA -1.696 54.684 56.287 0.154 0.000 1.030 339 K CB 1.112 33.670 32.500 0.096 0.000 1.522 339 K HN 0.195 nan 8.250 nan 0.000 0.543 340 P HA -0.187 nan 4.420 nan 0.000 0.220 340 P C -0.030 177.317 177.300 0.078 0.000 1.155 340 P CA 1.417 64.659 63.100 0.237 0.000 0.880 340 P CB 0.131 32.022 31.700 0.318 0.000 0.790 341 F N -1.996 118.051 119.950 0.162 0.000 2.908 341 F HA 0.455 4.984 4.527 0.003 0.000 0.328 341 F C 0.859 176.767 175.800 0.180 0.000 1.211 341 F CA -1.305 56.787 58.000 0.153 0.000 1.291 341 F CB -0.773 38.208 39.000 -0.031 0.000 0.962 341 F HN -0.211 nan 8.300 nan 0.000 0.505 342 A N 0.335 123.361 122.820 0.343 0.000 2.546 342 A HA 0.247 4.569 4.320 0.003 0.000 0.243 342 A C 0.835 178.427 177.584 0.012 0.000 1.063 342 A CA 0.185 52.268 52.037 0.076 0.000 0.757 342 A CB -0.195 18.723 19.000 -0.136 0.000 0.991 342 A HN 0.252 nan 8.150 nan 0.000 0.503 343 T N 3.481 118.034 114.554 -0.001 0.000 2.867 343 T HA 0.251 4.603 4.350 0.003 0.000 0.297 343 T C 0.314 174.969 174.700 -0.074 0.000 0.989 343 T CA 0.780 62.879 62.100 -0.001 0.000 1.159 343 T CB -0.356 68.514 68.868 0.003 0.000 0.928 343 T HN 0.386 nan 8.240 nan 0.000 0.538 344 I N 5.806 126.346 120.570 -0.049 0.000 2.385 344 I HA 0.279 4.451 4.170 0.003 0.000 0.294 344 I C -1.799 174.297 176.117 -0.035 0.000 0.988 344 I CA -2.620 58.630 61.300 -0.083 0.000 1.265 344 I CB 1.356 39.334 38.000 -0.036 0.000 1.388 344 I HN 0.383 nan 8.210 nan 0.000 0.480 345 P HA 0.032 nan 4.420 nan 0.000 0.266 345 P C 0.435 177.733 177.300 -0.002 0.000 1.193 345 P CA 0.133 63.223 63.100 -0.016 0.000 0.770 345 P CB 0.545 32.235 31.700 -0.017 0.000 0.836 346 S N 1.370 117.073 115.700 0.004 0.000 2.383 346 S HA -0.163 4.310 4.470 0.003 0.000 0.229 346 S C 1.421 176.027 174.600 0.010 0.000 1.030 346 S CA 1.469 59.675 58.200 0.009 0.000 1.002 346 S CB -0.738 62.469 63.200 0.011 0.000 0.829 346 S HN 0.706 nan 8.310 nan 0.000 0.467 347 N N 1.767 120.473 118.700 0.010 0.000 2.449 347 N HA -0.030 4.712 4.740 0.003 0.000 0.191 347 N C -0.232 175.288 175.510 0.017 0.000 1.161 347 N CA 0.246 53.305 53.050 0.014 0.000 0.863 347 N CB 0.023 38.519 38.487 0.015 0.000 0.980 347 N HN 0.472 nan 8.380 nan 0.000 0.458 348 E N 0.461 120.669 120.200 0.014 0.000 2.227 348 E HA 0.210 4.562 4.350 0.003 0.000 0.268 348 E C -0.493 176.120 176.600 0.021 0.000 0.907 348 E CA -0.882 55.531 56.400 0.021 0.000 0.786 348 E CB 1.681 31.389 29.700 0.014 0.000 1.191 348 E HN 0.265 nan 8.360 nan 0.000 0.411 349 S N 2.373 118.093 115.700 0.034 0.000 2.533 349 S HA 0.225 4.697 4.470 0.003 0.000 0.282 349 S C -1.731 172.865 174.600 -0.006 0.000 1.304 349 S CA -1.166 57.044 58.200 0.017 0.000 1.063 349 S CB 0.033 63.267 63.200 0.056 0.000 0.881 349 S HN 0.310 nan 8.310 nan 0.000 0.493 350 P HA 0.307 nan 4.420 nan 0.000 0.276 350 P C -0.202 176.979 177.300 -0.200 0.000 1.252 350 P CA -0.802 62.242 63.100 -0.095 0.000 0.802 350 P CB 0.581 32.215 31.700 -0.109 0.000 1.035 351 L N 0.808 121.968 121.223 -0.106 0.000 2.473 351 L HA 0.117 4.459 4.340 0.003 0.000 0.268 351 L C 0.450 177.182 176.870 -0.229 0.000 1.215 351 L CA -0.037 54.743 54.840 -0.100 0.000 0.823 351 L CB -0.275 41.748 42.059 -0.061 0.000 1.099 351 L HN 0.359 nan 8.230 nan 0.000 0.483 352 Y N 1.234 121.545 120.300 0.018 0.000 2.457 352 Y HA 0.388 4.939 4.550 0.003 0.000 0.333 352 Y C -0.101 175.793 175.900 -0.011 0.000 1.119 352 Y CA -0.663 57.439 58.100 0.004 0.000 1.143 352 Y CB 1.725 40.176 38.460 -0.016 0.000 1.230 352 Y HN 0.266 nan 8.280 nan 0.000 0.469 353 L N 3.596 124.919 121.223 0.165 0.000 2.283 353 L HA 0.501 4.843 4.340 0.003 0.000 0.281 353 L C -1.183 175.743 176.870 0.094 0.000 1.033 353 L CA -0.581 54.312 54.840 0.088 0.000 0.848 353 L CB 0.375 42.474 42.059 0.065 0.000 1.226 353 L HN 0.386 nan 8.230 nan 0.000 0.429 354 V N 5.413 125.370 119.914 0.071 0.000 2.461 354 V HA 0.300 4.422 4.120 0.003 0.000 0.275 354 V C 0.239 176.435 176.094 0.170 0.000 1.047 354 V CA -0.433 61.937 62.300 0.118 0.000 0.955 354 V CB 1.253 33.120 31.823 0.073 0.000 0.988 354 V HN 0.845 nan 8.190 nan 0.000 0.471 355 N N 2.558 121.365 118.700 0.179 0.000 2.518 355 N HA 0.301 5.043 4.740 0.003 0.000 0.254 355 N C 0.013 175.688 175.510 0.276 0.000 0.979 355 N CA -0.645 52.494 53.050 0.149 0.000 0.930 355 N CB 0.557 39.105 38.487 0.101 0.000 1.152 355 N HN 0.700 nan 8.380 nan 0.000 0.505 356 H N 2.764 121.862 119.070 0.046 0.000 2.536 356 H HA 0.241 4.799 4.556 0.003 0.000 0.276 356 H C 1.299 176.620 175.328 -0.012 0.000 1.019 356 H CA 0.623 56.718 56.048 0.079 0.000 1.159 356 H CB -0.257 29.497 29.762 -0.013 0.000 1.373 356 H HN 0.872 nan 8.280 nan 0.000 0.584 357 G N 0.615 109.453 108.800 0.063 0.000 2.750 357 G HA2 -0.324 3.638 3.960 0.003 0.000 0.228 357 G HA3 -0.324 3.638 3.960 0.003 0.000 0.228 357 G C 1.112 175.955 174.900 -0.094 0.000 1.367 357 G CA 0.100 45.161 45.100 -0.065 0.000 0.871 357 G HN 0.387 nan 8.290 nan 0.000 0.560 358 E N -0.581 119.544 120.200 -0.125 0.000 2.181 358 E HA -0.333 4.019 4.350 0.003 0.000 0.225 358 E C 2.761 179.320 176.600 -0.068 0.000 1.073 358 E CA 2.485 58.829 56.400 -0.093 0.000 0.916 358 E CB -0.360 29.270 29.700 -0.117 0.000 0.793 358 E HN 0.652 nan 8.360 nan 0.000 0.472 359 S N -0.342 115.283 115.700 -0.126 0.000 2.359 359 S HA -0.072 4.400 4.470 0.003 0.000 0.224 359 S C 0.930 175.563 174.600 0.055 0.000 1.035 359 S CA 1.590 59.769 58.200 -0.035 0.000 1.018 359 S CB -0.468 62.712 63.200 -0.032 0.000 0.876 359 S HN 0.604 nan 8.310 nan 0.000 0.448 360 G N 0.301 109.137 108.800 0.060 0.000 2.549 360 G HA2 -0.072 3.890 3.960 0.003 0.000 0.404 360 G HA3 -0.072 3.890 3.960 0.003 0.000 0.404 360 G C -3.177 171.766 174.900 0.072 0.000 1.292 360 G CA -0.512 44.640 45.100 0.087 0.000 0.935 360 G HN 0.383 nan 8.290 nan 0.000 0.512 361 P HA 0.346 nan 4.420 nan 0.000 0.265 361 P C 0.450 177.740 177.300 -0.017 0.000 1.193 361 P CA 0.057 62.892 63.100 -0.441 0.000 0.765 361 P CB 0.876 31.949 31.700 -1.045 0.000 0.823 362 V N 5.861 125.850 119.914 0.125 0.000 2.585 362 V HA 0.102 4.224 4.120 0.003 0.000 0.296 362 V C 1.132 177.266 176.094 0.067 0.000 1.035 362 V CA 0.430 62.764 62.300 0.057 0.000 1.084 362 V CB -0.552 31.192 31.823 -0.132 0.000 0.953 362 V HN 0.573 nan 8.190 nan 0.000 0.483 363 R N 2.894 123.444 120.500 0.083 0.000 2.698 363 R HA 0.479 4.821 4.340 0.003 0.000 0.275 363 R C -0.758 175.616 176.300 0.124 0.000 1.001 363 R CA -0.687 55.434 56.100 0.035 0.000 0.896 363 R CB 1.550 31.762 30.300 -0.146 0.000 1.218 363 R HN 0.759 nan 8.270 nan 0.000 0.462 364 C N 1.720 121.114 119.300 0.157 0.000 2.634 364 C HA 0.016 4.478 4.460 0.003 0.000 0.417 364 C C 1.185 176.193 174.990 0.030 0.000 1.334 364 C CA 0.070 59.179 59.018 0.152 0.000 1.829 364 C CB -0.563 27.273 27.740 0.160 0.000 2.665 364 C HN 0.896 nan 8.230 nan 0.000 0.614 365 N N 1.638 120.337 118.700 -0.002 0.000 2.331 365 N HA -0.016 4.727 4.740 0.003 0.000 0.180 365 N C 1.993 177.488 175.510 -0.025 0.000 1.019 365 N CA 1.001 54.038 53.050 -0.022 0.000 0.881 365 N CB -0.141 38.326 38.487 -0.033 0.000 0.972 365 N HN 0.754 nan 8.380 nan 0.000 0.435 366 R N 0.288 120.778 120.500 -0.017 0.000 2.056 366 R HA 0.001 4.343 4.340 0.003 0.000 0.220 366 R C 1.804 178.092 176.300 -0.020 0.000 1.187 366 R CA 1.676 57.768 56.100 -0.014 0.000 0.932 366 R CB -0.542 29.758 30.300 -0.001 0.000 0.821 366 R HN 0.448 nan 8.270 nan 0.000 0.449 367 C N 0.545 119.838 119.300 -0.013 0.000 2.576 367 C HA 0.370 4.832 4.460 0.003 0.000 0.267 367 C C 0.353 175.284 174.990 -0.098 0.000 1.364 367 C CA -0.535 58.458 59.018 -0.041 0.000 1.723 367 C CB -0.049 27.680 27.740 -0.019 0.000 1.778 367 C HN 0.522 nan 8.230 nan 0.000 0.572 368 K N -0.066 120.275 120.400 -0.099 0.000 3.274 368 K HA -0.182 4.140 4.320 0.003 0.000 0.300 368 K C 0.461 176.867 176.600 -0.322 0.000 1.230 368 K CA 1.118 57.299 56.287 -0.177 0.000 0.884 368 K CB -2.336 30.061 32.500 -0.173 0.000 1.242 368 K HN 0.978 nan 8.250 nan 0.000 0.467 369 A N 0.361 123.023 122.820 -0.263 0.000 2.483 369 A HA 0.348 4.670 4.320 0.003 0.000 0.238 369 A C 0.293 177.741 177.584 -0.227 0.000 1.070 369 A CA 0.034 51.862 52.037 -0.348 0.000 0.770 369 A CB 0.033 18.733 19.000 -0.501 0.000 1.008 369 A HN 0.172 nan 8.150 nan 0.000 0.497 370 Y N 0.311 120.649 120.300 0.063 0.000 2.281 370 Y HA 0.312 4.864 4.550 0.003 0.000 0.337 370 Y C 0.871 176.916 175.900 0.241 0.000 1.304 370 Y CA -0.302 57.913 58.100 0.191 0.000 1.465 370 Y CB 0.402 39.060 38.460 0.330 0.000 1.350 370 Y HN 0.636 nan 8.280 nan 0.000 0.575 371 M N 3.552 123.414 119.600 0.435 0.000 2.292 371 M HA 0.254 4.736 4.480 0.003 0.000 0.342 371 M C -0.782 175.733 176.300 0.360 0.000 1.538 371 M CA -0.581 54.889 55.300 0.284 0.000 1.163 371 M CB -1.323 31.433 32.600 0.258 0.000 1.823 371 M HN 0.720 nan 8.290 nan 0.000 0.462 372 C N 4.398 123.858 119.300 0.267 0.000 3.259 372 C HA 0.749 5.211 4.460 0.003 0.000 0.328 372 C C -1.901 173.111 174.990 0.037 0.000 1.425 372 C CA -1.394 57.745 59.018 0.202 0.000 1.465 372 C CB 0.996 28.888 27.740 0.253 0.000 1.890 372 C HN 0.682 nan 8.230 nan 0.000 0.450 373 P HA 0.023 nan 4.420 nan 0.000 0.231 373 P C 0.410 177.667 177.300 -0.073 0.000 1.158 373 P CA 1.093 64.085 63.100 -0.180 0.000 0.763 373 P CB -0.219 31.293 31.700 -0.313 0.000 0.805 374 F N -1.988 118.028 119.950 0.110 0.000 2.664 374 F HA 0.205 4.735 4.527 0.004 0.000 0.301 374 F C 0.894 176.708 175.800 0.023 0.000 1.126 374 F CA -0.020 57.985 58.000 0.009 0.000 1.373 374 F CB -0.610 38.290 39.000 -0.166 0.000 1.042 374 F HN -0.099 nan 8.300 nan 0.000 0.535 375 M N 0.855 120.584 119.600 0.215 0.000 2.066 375 M HA 0.265 4.747 4.480 0.003 0.000 0.340 375 M C -0.068 176.315 176.300 0.138 0.000 1.053 375 M CA -0.484 54.884 55.300 0.114 0.000 0.983 375 M CB 1.024 33.525 32.600 -0.165 0.000 1.520 375 M HN -0.082 nan 8.290 nan 0.000 0.428 376 Q N 2.815 122.695 119.800 0.134 0.000 2.324 376 Q HA 0.283 4.625 4.340 0.003 0.000 0.257 376 Q C -1.175 174.904 176.000 0.132 0.000 1.080 376 Q CA 0.061 55.962 55.803 0.163 0.000 0.907 376 Q CB 0.060 28.869 28.738 0.119 0.000 1.274 376 Q HN 0.391 nan 8.270 nan 0.000 0.434 377 F N 4.524 124.562 119.950 0.148 0.000 2.506 377 F HA 0.170 4.700 4.527 0.005 0.000 0.371 377 F C 1.100 176.972 175.800 0.120 0.000 1.078 377 F CA -0.165 57.931 58.000 0.160 0.000 1.195 377 F CB 0.169 39.232 39.000 0.105 0.000 1.099 377 F HN 0.380 nan 8.300 nan 0.000 0.548 378 I N -1.534 119.165 120.570 0.214 0.000 3.436 378 I HA 0.566 4.738 4.170 0.003 0.000 0.300 378 I C -0.389 175.822 176.117 0.156 0.000 1.131 378 I CA -1.253 60.139 61.300 0.153 0.000 1.001 378 I CB 1.403 39.456 38.000 0.088 0.000 1.305 378 I HN 0.551 nan 8.210 nan 0.000 0.494 379 E N 1.619 121.888 120.200 0.114 0.000 2.246 379 E HA -0.199 4.153 4.350 0.003 0.000 0.173 379 E C 0.872 177.564 176.600 0.153 0.000 1.532 379 E CA 0.696 57.159 56.400 0.105 0.000 0.672 379 E CB -1.679 28.066 29.700 0.074 0.000 1.078 379 E HN 1.237 nan 8.360 nan 0.000 0.338 380 G N -0.221 108.678 108.800 0.166 0.000 2.186 380 G HA2 -0.259 3.703 3.960 0.003 0.000 0.266 380 G HA3 -0.259 3.703 3.960 0.003 0.000 0.266 380 G C 0.896 176.006 174.900 0.350 0.000 0.982 380 G CA 0.823 46.060 45.100 0.229 0.000 0.670 380 G HN 1.664 nan 8.290 nan 0.000 0.533 381 G N -1.435 107.565 108.800 0.334 0.000 2.132 381 G HA2 -0.233 3.729 3.960 0.003 0.000 0.228 381 G HA3 -0.233 3.729 3.960 0.003 0.000 0.228 381 G C 0.907 176.176 174.900 0.615 0.000 1.000 381 G CA 1.156 46.502 45.100 0.411 0.000 0.693 381 G HN 0.942 nan 8.290 nan 0.000 0.515 382 R N -0.854 119.906 120.500 0.434 0.000 2.128 382 R HA 0.223 4.566 4.340 0.003 0.000 0.211 382 R C 1.056 177.468 176.300 0.187 0.000 1.067 382 R CA 0.365 56.627 56.100 0.270 0.000 1.010 382 R CB 0.318 30.652 30.300 0.057 0.000 0.922 382 R HN 0.242 nan 8.270 nan 0.000 0.457 383 R N 1.226 121.806 120.500 0.134 0.000 2.480 383 R HA 0.213 4.555 4.340 0.003 0.000 0.306 383 R C -1.490 174.798 176.300 -0.019 0.000 0.958 383 R CA -0.775 55.328 56.100 0.004 0.000 0.861 383 R CB 1.850 32.126 30.300 -0.040 0.000 1.171 383 R HN 0.012 nan 8.270 nan 0.000 0.445 384 Y N 0.195 120.380 120.300 -0.192 0.000 2.331 384 Y HA 0.367 4.920 4.550 0.004 0.000 0.338 384 Y C -0.190 175.583 175.900 -0.212 0.000 0.992 384 Y CA -1.113 56.738 58.100 -0.415 0.000 1.121 384 Y CB 0.988 38.818 38.460 -1.049 0.000 1.184 384 Y HN 0.462 nan 8.280 nan 0.000 0.469 385 Q N 4.060 123.863 119.800 0.005 0.000 2.293 385 Q HA 0.359 4.701 4.340 0.003 0.000 0.251 385 Q C -0.776 175.327 176.000 0.173 0.000 0.930 385 Q CA -0.714 55.097 55.803 0.014 0.000 0.893 385 Q CB 1.034 29.786 28.738 0.023 0.000 1.215 385 Q HN 1.068 nan 8.270 nan 0.000 0.425 386 C N 3.157 122.557 119.300 0.166 0.000 2.527 386 C HA 0.523 4.985 4.460 0.003 0.000 0.396 386 C C 1.624 176.713 174.990 0.166 0.000 1.289 386 C CA 0.085 59.269 59.018 0.276 0.000 2.047 386 C CB -0.227 27.688 27.740 0.291 0.000 2.568 386 C HN 1.029 nan 8.230 nan 0.000 0.573 387 G N 2.821 111.694 108.800 0.122 0.000 2.813 387 G HA2 0.058 4.020 3.960 0.003 0.000 0.209 387 G HA3 0.058 4.020 3.960 0.003 0.000 0.209 387 G C 0.779 175.518 174.900 -0.269 0.000 1.150 387 G CA 0.415 45.450 45.100 -0.108 0.000 0.785 387 G HN 0.758 nan 8.290 nan 0.000 0.535 388 F N -0.119 119.866 119.950 0.057 0.000 2.505 388 F HA 0.130 4.659 4.527 0.003 0.000 0.289 388 F C 2.306 178.113 175.800 0.010 0.000 1.101 388 F CA 0.538 58.549 58.000 0.019 0.000 1.446 388 F CB 0.148 39.164 39.000 0.028 0.000 1.123 388 F HN 0.266 nan 8.300 nan 0.000 0.564 389 C N -2.316 117.102 119.300 0.198 0.000 3.785 389 C HA 0.417 4.879 4.460 0.003 0.000 0.312 389 C C 0.644 175.676 174.990 0.070 0.000 1.566 389 C CA -0.794 58.291 59.018 0.110 0.000 1.837 389 C CB -0.732 27.064 27.740 0.093 0.000 2.826 389 C HN 0.523 nan 8.230 nan 0.000 0.667 390 N N -0.255 118.487 118.700 0.069 0.000 2.828 390 N HA -0.194 4.548 4.740 0.003 0.000 0.248 390 N C 0.177 175.702 175.510 0.025 0.000 1.044 390 N CA 1.286 54.361 53.050 0.041 0.000 0.851 390 N CB -1.943 36.561 38.487 0.027 0.000 1.136 390 N HN 0.893 nan 8.380 nan 0.000 0.572 391 C N 1.027 120.343 119.300 0.028 0.000 2.601 391 C HA 0.502 4.964 4.460 0.003 0.000 0.409 391 C C 1.072 176.027 174.990 -0.057 0.000 1.293 391 C CA -0.524 58.487 59.018 -0.011 0.000 2.101 391 C CB 0.401 28.135 27.740 -0.010 0.000 2.639 391 C HN 0.150 nan 8.230 nan 0.000 0.592 392 V N 7.698 127.557 119.914 -0.091 0.000 2.509 392 V HA 0.410 4.532 4.120 0.003 0.000 0.284 392 V C 0.381 176.321 176.094 -0.256 0.000 1.047 392 V CA -0.176 62.029 62.300 -0.159 0.000 0.952 392 V CB 1.038 32.798 31.823 -0.104 0.000 0.988 392 V HN 0.938 nan 8.190 nan 0.000 0.469 393 N N 1.818 120.226 118.700 -0.488 0.000 2.453 393 N HA 0.427 5.169 4.740 0.003 0.000 0.290 393 N C -1.439 173.807 175.510 -0.439 0.000 1.250 393 N CA -0.728 51.978 53.050 -0.574 0.000 0.815 393 N CB 2.181 39.999 38.487 -1.116 0.000 1.381 393 N HN 0.611 nan 8.380 nan 0.000 0.510 394 D N 1.132 121.378 120.400 -0.257 0.000 2.392 394 D HA 0.157 4.799 4.640 0.003 0.000 0.228 394 D C -0.201 176.096 176.300 -0.004 0.000 1.074 394 D CA -0.305 53.633 54.000 -0.104 0.000 0.838 394 D CB 1.895 42.662 40.800 -0.055 0.000 1.067 394 D HN 0.115 nan 8.370 nan 0.000 0.511 395 V N 5.950 125.929 119.914 0.108 0.000 2.484 395 V HA -0.015 4.107 4.120 0.003 0.000 0.276 395 V C -1.494 174.696 176.094 0.160 0.000 0.976 395 V CA -0.764 61.704 62.300 0.280 0.000 1.141 395 V CB -0.739 31.348 31.823 0.440 0.000 0.975 395 V HN 0.391 nan 8.190 nan 0.000 0.466 396 P HA -0.006 nan 4.420 nan 0.000 0.268 396 P C -2.115 175.184 177.300 -0.003 0.000 1.189 396 P CA -0.893 62.228 63.100 0.034 0.000 0.771 396 P CB 0.110 31.817 31.700 0.012 0.000 0.822 397 P HA -0.237 nan 4.420 nan 0.000 0.206 397 P C 1.527 178.903 177.300 0.126 0.000 1.142 397 P CA 1.689 64.867 63.100 0.131 0.000 0.946 397 P CB -0.750 31.064 31.700 0.190 0.000 0.777 398 F N -2.810 117.210 119.950 0.117 0.000 2.257 398 F HA -0.237 4.292 4.527 0.003 0.000 0.302 398 F C 2.096 177.990 175.800 0.156 0.000 1.056 398 F CA 1.186 59.253 58.000 0.111 0.000 1.353 398 F CB -1.539 37.510 39.000 0.081 0.000 1.064 398 F HN -0.041 nan 8.300 nan 0.000 0.520 399 Y N -0.072 119.728 120.300 -0.835 0.000 2.497 399 Y HA 0.189 4.741 4.550 0.004 0.000 0.265 399 Y C 0.880 176.637 175.900 -0.237 0.000 1.111 399 Y CA -1.571 56.152 58.100 -0.630 0.000 1.288 399 Y CB -0.445 37.506 38.460 -0.848 0.000 1.082 399 Y HN 0.087 nan 8.280 nan 0.000 0.536 400 F N 2.361 122.186 119.950 -0.207 0.000 2.646 400 F HA 0.197 4.726 4.527 0.004 0.000 0.363 400 F C -0.157 175.460 175.800 -0.304 0.000 1.143 400 F CA 0.551 58.439 58.000 -0.186 0.000 1.356 400 F CB 0.361 39.284 39.000 -0.128 0.000 1.055 400 F HN 0.019 nan 8.300 nan 0.000 0.606 401 Q N 3.761 122.563 119.800 -1.663 0.000 2.438 401 Q HA 0.171 4.513 4.340 0.003 0.000 0.272 401 Q C -1.290 173.899 176.000 -1.351 0.000 0.994 401 Q CA -0.735 54.223 55.803 -1.409 0.000 0.887 401 Q CB 1.482 29.737 28.738 -0.805 0.000 1.432 401 Q HN 0.708 nan 8.270 nan 0.000 0.392 402 H N 2.468 121.077 119.070 -0.767 0.000 2.732 402 H HA 0.258 4.816 4.556 0.003 0.000 0.351 402 H C 0.624 175.801 175.328 -0.253 0.000 1.090 402 H CA 0.380 56.210 56.048 -0.362 0.000 1.431 402 H CB 0.692 30.350 29.762 -0.173 0.000 1.447 402 H HN 0.420 nan 8.280 nan 0.000 0.582 403 L N 1.538 122.763 121.223 0.003 0.000 2.540 403 L HA 0.079 4.422 4.340 0.003 0.000 0.215 403 L C 0.917 177.763 176.870 -0.040 0.000 1.204 403 L CA -0.094 54.731 54.840 -0.025 0.000 0.841 403 L CB 0.364 42.447 42.059 0.041 0.000 1.420 403 L HN 0.632 nan 8.230 nan 0.000 0.519 404 D N -2.965 117.400 120.400 -0.057 0.000 2.846 404 D HA 0.036 4.678 4.640 0.003 0.000 0.200 404 D C 1.518 177.660 176.300 -0.264 0.000 1.421 404 D CA 0.123 54.033 54.000 -0.151 0.000 1.400 404 D CB 0.714 41.444 40.800 -0.116 0.000 1.461 404 D HN 0.441 nan 8.370 nan 0.000 0.352 405 H N -0.350 118.717 119.070 -0.005 0.000 2.521 405 H HA 0.423 4.981 4.556 0.003 0.000 0.267 405 H C 1.041 176.372 175.328 0.004 0.000 0.963 405 H CA 0.404 56.450 56.048 -0.002 0.000 1.175 405 H CB 2.111 31.869 29.762 -0.008 0.000 1.450 405 H HN 0.005 nan 8.280 nan 0.000 0.472 406 I N -0.301 120.345 120.570 0.127 0.000 3.817 406 I HA 0.186 4.358 4.170 0.003 0.000 0.322 406 I C 0.641 176.795 176.117 0.062 0.000 1.512 406 I CA 0.397 61.744 61.300 0.079 0.000 1.066 406 I CB 1.627 39.665 38.000 0.063 0.000 1.336 406 I HN 0.338 nan 8.210 nan 0.000 0.539 407 G N 1.854 110.686 108.800 0.053 0.000 2.134 407 G HA2 -0.281 3.681 3.960 0.003 0.000 0.209 407 G HA3 -0.281 3.681 3.960 0.003 0.000 0.209 407 G C 0.755 175.661 174.900 0.010 0.000 0.993 407 G CA -0.072 45.059 45.100 0.051 0.000 0.669 407 G HN 0.308 nan 8.290 nan 0.000 0.519 408 R N 0.550 121.038 120.500 -0.019 0.000 2.369 408 R HA 0.292 4.634 4.340 0.003 0.000 0.200 408 R C 1.920 178.165 176.300 -0.092 0.000 1.046 408 R CA 1.096 57.148 56.100 -0.081 0.000 1.057 408 R CB -0.534 29.714 30.300 -0.087 0.000 0.888 408 R HN 0.521 nan 8.270 nan 0.000 0.474 409 R N -2.035 118.389 120.500 -0.126 0.000 3.997 409 R HA -0.264 4.078 4.340 0.003 0.000 0.431 409 R C 0.484 176.662 176.300 -0.203 0.000 1.066 409 R CA 1.047 57.003 56.100 -0.239 0.000 1.382 409 R CB -1.288 28.732 30.300 -0.467 0.000 1.978 409 R HN 0.328 nan 8.270 nan 0.000 0.550 410 L N -1.325 119.839 121.223 -0.099 0.000 4.988 410 L HA -0.356 3.986 4.340 0.003 0.000 0.439 410 L C 0.440 177.250 176.870 -0.100 0.000 1.080 410 L CA 2.538 57.336 54.840 -0.070 0.000 1.018 410 L CB -0.733 41.276 42.059 -0.082 0.000 1.945 410 L HN 0.433 nan 8.230 nan 0.000 0.782 411 D N -2.206 118.100 120.400 -0.158 0.000 2.840 411 D HA 0.032 4.674 4.640 0.003 0.000 0.277 411 D C 1.359 177.579 176.300 -0.134 0.000 1.066 411 D CA 0.797 54.675 54.000 -0.204 0.000 0.979 411 D CB 0.075 40.651 40.800 -0.374 0.000 1.157 411 D HN 0.656 nan 8.370 nan 0.000 0.466 412 H N 0.445 119.363 119.070 -0.254 0.000 1.466 412 H HA -0.332 4.226 4.556 0.003 0.000 0.092 412 H C 1.494 176.647 175.328 -0.291 0.000 1.072 412 H CA 2.766 58.630 56.048 -0.307 0.000 1.898 412 H CB -0.950 28.596 29.762 -0.360 0.000 2.255 412 H HN 0.203 nan 8.280 nan 0.000 0.961 413 Y N 0.211 120.533 120.300 0.035 0.000 2.516 413 Y HA -0.213 4.339 4.550 0.003 0.000 0.284 413 Y C 2.802 178.626 175.900 -0.126 0.000 1.166 413 Y CA 1.445 59.522 58.100 -0.040 0.000 1.350 413 Y CB -0.230 38.247 38.460 0.028 0.000 0.967 413 Y HN 0.508 nan 8.280 nan 0.000 0.568 414 E N 0.529 120.704 120.200 -0.043 0.000 2.166 414 E HA -0.015 4.337 4.350 0.003 0.000 0.192 414 E C 0.094 176.582 176.600 -0.186 0.000 0.967 414 E CA 0.226 56.568 56.400 -0.097 0.000 0.840 414 E CB 0.278 29.930 29.700 -0.080 0.000 0.795 414 E HN 0.261 nan 8.360 nan 0.000 0.470 415 K N 2.147 122.409 120.400 -0.230 0.000 2.281 415 K HA 0.173 4.495 4.320 0.003 0.000 0.272 415 K C -2.021 174.367 176.600 -0.352 0.000 1.048 415 K CA -1.841 54.297 56.287 -0.248 0.000 0.898 415 K CB 1.779 34.166 32.500 -0.188 0.000 1.128 415 K HN 0.023 nan 8.250 nan 0.000 0.460 416 P HA -0.298 nan 4.420 nan 0.000 0.216 416 P C 0.998 177.916 177.300 -0.637 0.000 1.157 416 P CA 1.619 64.453 63.100 -0.443 0.000 0.880 416 P CB 0.212 31.688 31.700 -0.375 0.000 0.791 417 E N 0.454 120.144 120.200 -0.851 0.000 2.396 417 E HA -0.148 4.204 4.350 0.003 0.000 0.200 417 E C 1.895 178.201 176.600 -0.490 0.000 1.023 417 E CA 1.004 56.706 56.400 -1.164 0.000 0.857 417 E CB -0.901 28.409 29.700 -0.650 0.000 0.775 417 E HN 0.356 nan 8.360 nan 0.000 0.525 418 L N 0.712 121.686 121.223 -0.414 0.000 2.515 418 L HA 0.087 4.429 4.340 0.003 0.000 0.223 418 L C 2.261 178.732 176.870 -0.664 0.000 1.079 418 L CA 0.871 55.479 54.840 -0.387 0.000 0.857 418 L CB 0.126 41.955 42.059 -0.384 0.000 1.050 418 L HN 0.140 nan 8.230 nan 0.000 0.476 419 S N -1.381 113.890 115.700 -0.716 0.000 2.549 419 S HA 0.319 4.791 4.470 0.003 0.000 0.225 419 S C 0.544 174.974 174.600 -0.283 0.000 1.039 419 S CA -0.417 57.344 58.200 -0.731 0.000 0.942 419 S CB 0.192 62.878 63.200 -0.856 0.000 0.881 419 S HN 0.074 nan 8.310 nan 0.000 0.503 420 L N 0.996 122.109 121.223 -0.183 0.000 2.352 420 L HA 0.638 4.980 4.340 0.003 0.000 0.269 420 L C 1.673 178.605 176.870 0.102 0.000 1.034 420 L CA -0.506 54.339 54.840 0.008 0.000 0.806 420 L CB 1.147 43.266 42.059 0.101 0.000 1.244 420 L HN 0.284 nan 8.230 nan 0.000 0.447 421 G N 0.248 109.098 108.800 0.083 0.000 2.396 421 G HA2 -0.027 3.935 3.960 0.003 0.000 0.214 421 G HA3 -0.027 3.935 3.960 0.003 0.000 0.214 421 G C 0.476 175.359 174.900 -0.030 0.000 1.166 421 G CA 0.213 45.339 45.100 0.042 0.000 0.793 421 G HN 0.499 nan 8.290 nan 0.000 0.533 422 S N -0.805 114.894 115.700 -0.002 0.000 2.607 422 S HA 0.751 5.223 4.470 0.003 0.000 0.303 422 S C -0.963 173.518 174.600 -0.200 0.000 1.086 422 S CA -0.472 57.582 58.200 -0.242 0.000 0.995 422 S CB 1.727 64.869 63.200 -0.097 0.000 1.084 422 S HN 0.670 nan 8.310 nan 0.000 0.507 423 Y N -1.686 118.422 120.300 -0.321 0.000 2.963 423 Y HA 0.435 4.987 4.550 0.004 0.000 0.403 423 Y C -1.730 173.922 175.900 -0.413 0.000 1.137 423 Y CA -1.234 56.697 58.100 -0.281 0.000 1.267 423 Y CB 0.159 38.479 38.460 -0.234 0.000 1.553 423 Y HN 0.537 nan 8.280 nan 0.000 0.491 424 E N 0.657 120.808 120.200 -0.083 0.000 2.256 424 E HA 0.461 4.814 4.350 0.003 0.000 0.267 424 E C -1.785 174.740 176.600 -0.125 0.000 0.892 424 E CA -1.070 55.225 56.400 -0.174 0.000 0.775 424 E CB 2.986 32.625 29.700 -0.101 0.000 1.207 424 E HN 0.632 nan 8.360 nan 0.000 0.420 425 Y N 0.257 120.467 120.300 -0.150 0.000 2.457 425 Y HA 0.320 4.871 4.550 0.003 0.000 0.333 425 Y C 0.068 175.834 175.900 -0.224 0.000 1.119 425 Y CA -1.259 56.713 58.100 -0.214 0.000 1.143 425 Y CB 1.778 40.043 38.460 -0.325 0.000 1.230 425 Y HN 0.209 nan 8.280 nan 0.000 0.469 426 V N 2.889 122.804 119.914 0.002 0.000 2.498 426 V HA 0.394 4.517 4.120 0.003 0.000 0.279 426 V C 0.109 176.103 176.094 -0.166 0.000 1.048 426 V CA -0.775 61.482 62.300 -0.072 0.000 0.967 426 V CB 0.843 32.651 31.823 -0.025 0.000 0.988 426 V HN 0.808 nan 8.190 nan 0.000 0.473 427 A N 4.053 126.747 122.820 -0.210 0.000 2.328 427 A HA 0.642 4.964 4.320 0.003 0.000 0.284 427 A C 0.617 178.182 177.584 -0.031 0.000 1.160 427 A CA -0.278 51.576 52.037 -0.305 0.000 0.818 427 A CB 0.321 19.141 19.000 -0.299 0.000 1.087 427 A HN 0.967 nan 8.150 nan 0.000 0.504 428 T N 0.823 115.474 114.554 0.162 0.000 2.899 428 T HA 0.406 4.758 4.350 0.003 0.000 0.284 428 T C 1.259 176.091 174.700 0.219 0.000 1.004 428 T CA -0.646 61.566 62.100 0.186 0.000 1.043 428 T CB 0.503 69.476 68.868 0.175 0.000 1.013 428 T HN 0.424 nan 8.240 nan 0.000 0.518 429 L N 0.925 122.211 121.223 0.105 0.000 2.230 429 L HA -0.202 4.140 4.340 0.003 0.000 0.217 429 L C 2.010 178.911 176.870 0.051 0.000 1.090 429 L CA 1.744 56.625 54.840 0.069 0.000 0.771 429 L CB -0.728 41.351 42.059 0.034 0.000 0.892 429 L HN 0.804 nan 8.230 nan 0.000 0.438 430 D N -2.214 118.199 120.400 0.022 0.000 2.363 430 D HA -0.166 4.476 4.640 0.003 0.000 0.226 430 D C 1.287 177.480 176.300 -0.179 0.000 1.020 430 D CA 0.622 54.570 54.000 -0.087 0.000 0.892 430 D CB -0.277 40.436 40.800 -0.145 0.000 0.900 430 D HN 0.361 nan 8.370 nan 0.000 0.531 431 Y N 0.098 120.401 120.300 0.006 0.000 2.458 431 Y HA 0.223 4.775 4.550 0.004 0.000 0.256 431 Y C 0.658 176.563 175.900 0.008 0.000 1.159 431 Y CA -0.557 57.550 58.100 0.013 0.000 1.261 431 Y CB 0.490 38.958 38.460 0.013 0.000 1.119 431 Y HN -0.010 nan 8.280 nan 0.000 0.524 432 C N 1.518 120.884 119.300 0.110 0.000 2.391 432 C HA 0.506 4.968 4.460 0.003 0.000 0.339 432 C C 0.140 175.154 174.990 0.039 0.000 1.205 432 C CA -1.557 57.504 59.018 0.072 0.000 1.937 432 C CB 0.865 28.640 27.740 0.058 0.000 2.341 432 C HN 0.166 nan 8.230 nan 0.000 0.516 433 R N 1.652 122.174 120.500 0.038 0.000 2.585 433 R HA 0.060 4.402 4.340 0.003 0.000 0.275 433 R C 0.665 176.977 176.300 0.021 0.000 1.018 433 R CA 0.319 56.435 56.100 0.027 0.000 1.072 433 R CB -0.286 30.034 30.300 0.034 0.000 0.953 433 R HN 0.858 nan 8.270 nan 0.000 0.419 434 K N 0.767 121.174 120.400 0.012 0.000 3.130 434 K HA -0.241 4.081 4.320 0.003 0.000 0.282 434 K C -0.335 176.269 176.600 0.007 0.000 1.145 434 K CA 1.068 57.360 56.287 0.009 0.000 0.831 434 K CB -1.239 31.270 32.500 0.015 0.000 1.226 434 K HN 0.825 nan 8.250 nan 0.000 0.478 435 S N -1.010 114.694 115.700 0.006 0.000 3.473 435 S HA -0.236 4.236 4.470 0.003 0.000 0.339 435 S C -0.193 174.414 174.600 0.011 0.000 1.148 435 S CA 1.825 60.028 58.200 0.005 0.000 0.969 435 S CB -0.822 62.375 63.200 -0.005 0.000 0.936 435 S HN 0.448 nan 8.310 nan 0.000 0.530 436 K N 0.955 121.364 120.400 0.016 0.000 2.375 436 K HA 0.427 4.749 4.320 0.003 0.000 0.249 436 K C -2.860 173.751 176.600 0.019 0.000 0.942 436 K CA -2.458 53.839 56.287 0.016 0.000 0.806 436 K CB 1.550 34.058 32.500 0.013 0.000 1.227 436 K HN -0.103 nan 8.250 nan 0.000 0.430 437 P HA -0.028 nan 4.420 nan 0.000 0.258 437 P C -2.238 175.071 177.300 0.014 0.000 1.187 437 P CA -0.515 62.594 63.100 0.015 0.000 0.767 437 P CB -0.333 31.373 31.700 0.011 0.000 0.770 438 P HA 0.068 nan 4.420 nan 0.000 0.272 438 P C -0.287 177.017 177.300 0.007 0.000 1.254 438 P CA 0.015 63.125 63.100 0.016 0.000 0.795 438 P CB 0.702 32.415 31.700 0.023 0.000 1.022 439 N N 0.011 118.711 118.700 -0.000 0.000 2.443 439 N HA 0.367 5.109 4.740 0.003 0.000 0.293 439 N C -2.359 173.132 175.510 -0.031 0.000 1.159 439 N CA -1.737 51.306 53.050 -0.012 0.000 0.904 439 N CB 0.476 38.956 38.487 -0.012 0.000 1.214 439 N HN 0.348 nan 8.380 nan 0.000 0.513 440 P HA 0.133 nan 4.420 nan 0.000 0.269 440 P C -2.510 174.716 177.300 -0.124 0.000 1.209 440 P CA -0.627 62.437 63.100 -0.061 0.000 0.776 440 P CB -0.014 31.658 31.700 -0.048 0.000 0.876 441 P HA 0.229 nan 4.420 nan 0.000 0.274 441 P C -0.856 176.302 177.300 -0.237 0.000 1.260 441 P CA -0.122 62.740 63.100 -0.396 0.000 0.793 441 P CB 0.584 31.651 31.700 -1.055 0.000 1.048 442 A N 0.237 122.968 122.820 -0.147 0.000 2.435 442 A HA 0.681 5.003 4.320 0.003 0.000 0.304 442 A C -1.320 176.435 177.584 0.285 0.000 1.064 442 A CA -0.470 51.561 52.037 -0.010 0.000 0.727 442 A CB 0.898 19.880 19.000 -0.029 0.000 1.284 442 A HN 0.278 nan 8.150 nan 0.000 0.415 443 F N 1.247 121.158 119.950 -0.065 0.000 2.411 443 F HA 0.534 5.064 4.527 0.004 0.000 0.352 443 F C 0.083 175.702 175.800 -0.302 0.000 1.123 443 F CA -1.394 56.558 58.000 -0.081 0.000 1.044 443 F CB 1.322 40.276 39.000 -0.076 0.000 1.135 443 F HN 0.303 nan 8.300 nan 0.000 0.461 444 I N 4.901 125.387 120.570 -0.140 0.000 2.354 444 I HA 0.260 4.432 4.170 0.003 0.000 0.286 444 I C -0.945 175.007 176.117 -0.275 0.000 1.007 444 I CA -0.561 60.626 61.300 -0.188 0.000 1.167 444 I CB 0.984 38.995 38.000 0.018 0.000 1.320 444 I HN 0.269 nan 8.210 nan 0.000 0.458 445 F N 6.825 126.786 119.950 0.019 0.000 2.411 445 F HA 0.464 4.993 4.527 0.003 0.000 0.355 445 F C 0.363 176.361 175.800 0.329 0.000 1.117 445 F CA -0.446 57.696 58.000 0.236 0.000 1.139 445 F CB 0.911 39.992 39.000 0.136 0.000 1.120 445 F HN 0.206 nan 8.300 nan 0.000 0.493 446 M N 6.163 126.092 119.600 0.548 0.000 2.053 446 M HA 0.466 4.948 4.480 0.003 0.000 0.297 446 M C -1.124 175.565 176.300 0.649 0.000 0.921 446 M CA -0.295 55.319 55.300 0.524 0.000 0.918 446 M CB 1.800 34.622 32.600 0.370 0.000 1.499 446 M HN 0.406 nan 8.290 nan 0.000 0.422 447 I N 2.381 123.198 120.570 0.412 0.000 2.312 447 I HA 0.172 4.344 4.170 0.003 0.000 0.290 447 I C 0.196 176.123 176.117 -0.317 0.000 1.008 447 I CA -0.552 60.834 61.300 0.142 0.000 1.226 447 I CB 1.126 39.102 38.000 -0.040 0.000 1.371 447 I HN 0.573 nan 8.210 nan 0.000 0.468 448 D N 7.007 127.163 120.400 -0.407 0.000 2.363 448 D HA 0.043 4.685 4.640 0.003 0.000 0.263 448 D C 0.606 176.603 176.300 -0.505 0.000 1.258 448 D CA -0.093 53.447 54.000 -0.766 0.000 0.907 448 D CB 1.236 41.816 40.800 -0.366 0.000 1.107 448 D HN 0.362 nan 8.370 nan 0.000 0.495 449 V N 1.930 121.512 119.914 -0.554 0.000 3.099 449 V HA 0.230 4.352 4.120 0.003 0.000 0.356 449 V C 0.784 176.721 176.094 -0.262 0.000 1.364 449 V CA -0.159 61.859 62.300 -0.470 0.000 1.229 449 V CB -1.018 30.289 31.823 -0.859 0.000 1.227 449 V HN 0.453 nan 8.190 nan 0.000 0.493 450 S N -0.687 114.904 115.700 -0.181 0.000 2.606 450 S HA 0.207 4.679 4.470 0.003 0.000 0.257 450 S C 0.943 175.552 174.600 0.014 0.000 1.327 450 S CA 0.427 58.614 58.200 -0.021 0.000 0.984 450 S CB 0.438 63.639 63.200 0.001 0.000 0.941 450 S HN 0.487 nan 8.310 nan 0.000 0.576 451 Y N 1.914 122.204 120.300 -0.017 0.000 2.002 451 Y HA -0.283 4.269 4.550 0.004 0.000 0.268 451 Y C 2.683 178.562 175.900 -0.034 0.000 1.177 451 Y CA 2.561 60.655 58.100 -0.011 0.000 1.111 451 Y CB -1.256 37.208 38.460 0.007 0.000 0.952 451 Y HN 0.764 nan 8.280 nan 0.000 0.491 452 S N 0.579 116.261 115.700 -0.029 0.000 2.390 452 S HA -0.305 4.167 4.470 0.003 0.000 0.234 452 S C 1.564 176.035 174.600 -0.215 0.000 1.063 452 S CA 1.830 59.961 58.200 -0.115 0.000 1.108 452 S CB -0.570 62.622 63.200 -0.013 0.000 0.975 452 S HN 0.591 nan 8.310 nan 0.000 0.442 453 N N 0.586 119.154 118.700 -0.220 0.000 2.467 453 N HA 0.143 4.885 4.740 0.003 0.000 0.184 453 N C 1.178 176.524 175.510 -0.274 0.000 1.106 453 N CA 0.339 53.221 53.050 -0.280 0.000 0.892 453 N CB -0.070 38.220 38.487 -0.327 0.000 0.969 453 N HN 0.343 nan 8.380 nan 0.000 0.454 454 I N 0.782 121.192 120.570 -0.267 0.000 2.494 454 I HA -0.074 4.098 4.170 0.003 0.000 0.250 454 I C 2.273 178.235 176.117 -0.258 0.000 1.112 454 I CA 0.699 61.865 61.300 -0.224 0.000 1.438 454 I CB -0.559 37.347 38.000 -0.157 0.000 1.111 454 I HN 0.079 nan 8.210 nan 0.000 0.431 455 K N 2.070 122.224 120.400 -0.411 0.000 2.001 455 K HA -0.188 4.134 4.320 0.003 0.000 0.208 455 K C 1.407 177.890 176.600 -0.195 0.000 1.048 455 K CA 1.966 58.029 56.287 -0.374 0.000 0.932 455 K CB -0.158 31.977 32.500 -0.609 0.000 0.715 455 K HN 0.341 nan 8.250 nan 0.000 0.437 456 N N 0.121 118.726 118.700 -0.158 0.000 2.627 456 N HA -0.014 4.728 4.740 0.003 0.000 0.196 456 N C 0.669 176.169 175.510 -0.017 0.000 1.268 456 N CA 0.995 54.024 53.050 -0.035 0.000 0.904 456 N CB -0.363 38.162 38.487 0.063 0.000 1.016 456 N HN 0.412 nan 8.380 nan 0.000 0.448 457 G N -0.533 108.213 108.800 -0.090 0.000 2.258 457 G HA2 -0.307 3.655 3.960 0.003 0.000 0.274 457 G HA3 -0.307 3.655 3.960 0.003 0.000 0.274 457 G C 0.547 175.377 174.900 -0.117 0.000 1.021 457 G CA 0.597 45.647 45.100 -0.084 0.000 0.798 457 G HN 0.406 nan 8.290 nan 0.000 0.507 458 L N -0.212 120.876 121.223 -0.226 0.000 2.095 458 L HA 0.176 4.518 4.340 0.003 0.000 0.204 458 L C 2.905 179.541 176.870 -0.390 0.000 1.080 458 L CA 2.032 56.617 54.840 -0.425 0.000 0.759 458 L CB -0.581 41.038 42.059 -0.734 0.000 0.914 458 L HN 0.192 nan 8.230 nan 0.000 0.439 459 V N 0.094 119.812 119.914 -0.327 0.000 2.252 459 V HA -0.386 3.736 4.120 0.003 0.000 0.249 459 V C 2.604 178.560 176.094 -0.231 0.000 1.056 459 V CA 2.316 64.444 62.300 -0.287 0.000 1.022 459 V CB -0.757 30.927 31.823 -0.232 0.000 0.641 459 V HN 0.495 nan 8.190 nan 0.000 0.445 460 K N -0.331 119.964 120.400 -0.174 0.000 2.032 460 K HA -0.237 4.085 4.320 0.003 0.000 0.209 460 K C 2.143 178.658 176.600 -0.142 0.000 1.048 460 K CA 1.860 58.066 56.287 -0.136 0.000 0.927 460 K CB -0.364 32.077 32.500 -0.098 0.000 0.712 460 K HN 0.307 nan 8.250 nan 0.000 0.441 461 L N 1.693 122.832 121.223 -0.139 0.000 1.978 461 L HA -0.209 4.133 4.340 0.003 0.000 0.218 461 L C 1.988 178.775 176.870 -0.137 0.000 1.075 461 L CA 1.846 56.623 54.840 -0.104 0.000 0.767 461 L CB -0.473 41.543 42.059 -0.073 0.000 0.890 461 L HN 0.302 nan 8.230 nan 0.000 0.434 462 I N -1.470 118.966 120.570 -0.224 0.000 2.286 462 I HA -0.364 3.808 4.170 0.003 0.000 0.248 462 I C 2.477 178.414 176.117 -0.299 0.000 1.115 462 I CA 1.294 62.406 61.300 -0.313 0.000 1.392 462 I CB -0.603 37.058 38.000 -0.565 0.000 1.065 462 I HN 0.412 nan 8.210 nan 0.000 0.418 463 C N 0.395 119.543 119.300 -0.252 0.000 2.489 463 C HA -0.068 4.394 4.460 0.003 0.000 0.279 463 C C 2.765 177.647 174.990 -0.179 0.000 1.266 463 C CA 0.370 59.253 59.018 -0.225 0.000 1.707 463 C CB -0.819 26.802 27.740 -0.199 0.000 2.059 463 C HN 0.467 nan 8.230 nan 0.000 0.481 464 E N 1.076 121.190 120.200 -0.143 0.000 2.038 464 E HA -0.208 4.144 4.350 0.003 0.000 0.195 464 E C 1.940 178.475 176.600 -0.108 0.000 1.000 464 E CA 1.404 57.740 56.400 -0.107 0.000 0.803 464 E CB -0.568 29.078 29.700 -0.089 0.000 0.750 464 E HN 0.553 nan 8.360 nan 0.000 0.448 465 E N 0.516 120.642 120.200 -0.125 0.000 2.204 465 E HA -0.104 4.248 4.350 0.003 0.000 0.194 465 E C 1.797 178.295 176.600 -0.170 0.000 0.989 465 E CA 0.120 56.441 56.400 -0.131 0.000 0.824 465 E CB -0.181 29.441 29.700 -0.131 0.000 0.756 465 E HN 0.035 nan 8.360 nan 0.000 0.477 466 L N 0.684 121.778 121.223 -0.214 0.000 2.201 466 L HA -0.073 4.269 4.340 0.003 0.000 0.212 466 L C 1.576 178.306 176.870 -0.234 0.000 1.105 466 L CA 1.632 56.300 54.840 -0.287 0.000 0.775 466 L CB -0.228 41.620 42.059 -0.351 0.000 0.913 466 L HN 0.007 nan 8.230 nan 0.000 0.440 467 K N -1.603 118.731 120.400 -0.110 0.000 2.147 467 K HA -0.113 4.210 4.320 0.003 0.000 0.205 467 K C 1.837 178.480 176.600 0.072 0.000 1.049 467 K CA 1.698 58.035 56.287 0.083 0.000 0.936 467 K CB -0.225 32.377 32.500 0.169 0.000 0.722 467 K HN 0.342 nan 8.250 nan 0.000 0.446 468 T N 1.317 115.848 114.554 -0.037 0.000 2.770 468 T HA -0.035 4.317 4.350 0.003 0.000 0.258 468 T C 1.900 176.550 174.700 -0.084 0.000 1.039 468 T CA 1.099 63.174 62.100 -0.042 0.000 1.143 468 T CB -0.070 68.762 68.868 -0.059 0.000 0.866 468 T HN 0.124 nan 8.240 nan 0.000 0.428 469 M N 0.683 120.198 119.600 -0.141 0.000 2.229 469 M HA 0.010 4.492 4.480 0.003 0.000 0.264 469 M C 1.843 178.007 176.300 -0.227 0.000 1.063 469 M CA 0.866 56.071 55.300 -0.158 0.000 1.114 469 M CB -0.456 32.043 32.600 -0.169 0.000 1.387 469 M HN 0.088 nan 8.290 nan 0.000 0.420 470 L N 0.850 121.835 121.223 -0.397 0.000 2.351 470 L HA -0.202 4.140 4.340 0.003 0.000 0.220 470 L C 2.279 178.791 176.870 -0.597 0.000 1.127 470 L CA 1.695 56.135 54.840 -0.666 0.000 0.786 470 L CB -1.026 40.308 42.059 -1.208 0.000 0.914 470 L HN 0.353 nan 8.230 nan 0.000 0.443 471 E N -0.287 119.742 120.200 -0.285 0.000 2.076 471 E HA -0.147 4.205 4.350 0.003 0.000 0.190 471 E C 1.550 178.140 176.600 -0.016 0.000 0.979 471 E CA 0.577 56.957 56.400 -0.035 0.000 0.807 471 E CB -0.052 29.682 29.700 0.056 0.000 0.761 471 E HN 0.492 nan 8.360 nan 0.000 0.454 472 K N 1.035 121.415 120.400 -0.034 0.000 2.569 472 K HA 0.133 4.455 4.320 0.003 0.000 0.193 472 K C 0.573 177.187 176.600 0.023 0.000 1.026 472 K CA 0.028 56.317 56.287 0.004 0.000 1.093 472 K CB -0.133 32.372 32.500 0.008 0.000 0.849 472 K HN 0.073 nan 8.250 nan 0.000 0.509 473 I N 3.219 123.784 120.570 -0.008 0.000 2.668 473 I HA -0.013 4.159 4.170 0.003 0.000 0.285 473 I C -1.980 174.144 176.117 0.012 0.000 1.168 473 I CA -1.952 59.349 61.300 0.003 0.000 1.424 473 I CB 0.165 38.105 38.000 -0.100 0.000 1.377 473 I HN -0.120 nan 8.210 nan 0.000 0.560 474 P HA 0.009 nan 4.420 nan 0.000 0.265 474 P C -1.387 175.931 177.300 0.031 0.000 1.187 474 P CA 0.199 63.342 63.100 0.071 0.000 0.766 474 P CB 0.426 32.211 31.700 0.143 0.000 0.820 475 K N -0.004 120.423 120.400 0.046 0.000 2.569 475 K HA 0.401 4.723 4.320 0.003 0.000 0.259 475 K C -1.023 175.607 176.600 0.049 0.000 0.932 475 K CA -0.774 55.535 56.287 0.036 0.000 0.833 475 K CB 0.974 33.486 32.500 0.021 0.000 1.340 475 K HN 0.161 nan 8.250 nan 0.000 0.429 476 E N 1.295 121.526 120.200 0.051 0.000 2.418 476 E HA -0.066 4.286 4.350 0.003 0.000 0.261 476 E C 0.319 176.944 176.600 0.043 0.000 1.070 476 E CA 0.110 56.543 56.400 0.054 0.000 0.931 476 E CB 0.723 30.456 29.700 0.055 0.000 0.954 476 E HN 0.781 nan 8.360 nan 0.000 0.439 477 E N 1.867 122.092 120.200 0.042 0.000 2.106 477 E HA -0.273 4.079 4.350 0.003 0.000 0.192 477 E C 1.681 178.300 176.600 0.031 0.000 0.984 477 E CA 1.349 57.770 56.400 0.035 0.000 0.806 477 E CB 0.130 29.850 29.700 0.034 0.000 0.750 477 E HN 0.568 nan 8.360 nan 0.000 0.458 478 Q N 0.772 120.591 119.800 0.032 0.000 2.364 478 Q HA -0.138 4.204 4.340 0.003 0.000 0.209 478 Q C 0.286 176.301 176.000 0.024 0.000 0.977 478 Q CA 1.111 56.931 55.803 0.028 0.000 0.885 478 Q CB -0.336 28.419 28.738 0.029 0.000 0.941 478 Q HN 0.295 nan 8.270 nan 0.000 0.464 479 E N 0.111 120.326 120.200 0.025 0.000 2.249 479 E HA 0.271 4.623 4.350 0.003 0.000 0.263 479 E C -0.245 176.368 176.600 0.021 0.000 0.950 479 E CA -0.804 55.608 56.400 0.021 0.000 0.827 479 E CB 1.070 30.782 29.700 0.020 0.000 1.220 479 E HN 0.047 nan 8.360 nan 0.000 0.411 480 E N 0.026 120.236 120.200 0.017 0.000 2.307 480 E HA 0.079 4.431 4.350 0.003 0.000 0.195 480 E C -0.191 176.420 176.600 0.019 0.000 0.975 480 E CA 0.600 57.010 56.400 0.018 0.000 0.878 480 E CB 0.771 30.480 29.700 0.015 0.000 0.845 480 E HN 0.430 nan 8.360 nan 0.000 0.488 481 T N -0.065 114.498 114.554 0.016 0.000 2.906 481 T HA 0.193 4.545 4.350 0.003 0.000 0.295 481 T C -0.516 174.191 174.700 0.011 0.000 1.061 481 T CA -0.574 61.536 62.100 0.018 0.000 1.000 481 T CB 2.201 71.078 68.868 0.015 0.000 1.103 481 T HN -0.136 nan 8.240 nan 0.000 0.486 482 S N 0.909 116.614 115.700 0.008 0.000 2.549 482 S HA 0.327 4.799 4.470 0.003 0.000 0.286 482 S C 1.353 175.936 174.600 -0.028 0.000 1.314 482 S CA -0.165 58.026 58.200 -0.015 0.000 1.062 482 S CB 0.226 63.401 63.200 -0.042 0.000 0.865 482 S HN 0.814 nan 8.310 nan 0.000 0.498 483 A N 5.396 128.195 122.820 -0.035 0.000 2.169 483 A HA 0.276 4.598 4.320 0.003 0.000 0.212 483 A C 0.754 178.293 177.584 -0.075 0.000 1.153 483 A CA 0.139 52.153 52.037 -0.038 0.000 0.756 483 A CB -0.387 18.599 19.000 -0.024 0.000 0.813 483 A HN 0.831 nan 8.150 nan 0.000 0.471 484 I N 1.380 121.873 120.570 -0.129 0.000 2.452 484 I HA 0.096 4.268 4.170 0.003 0.000 0.287 484 I C 0.658 176.670 176.117 -0.176 0.000 1.079 484 I CA -0.061 61.104 61.300 -0.225 0.000 1.387 484 I CB 0.535 38.252 38.000 -0.471 0.000 1.404 484 I HN 0.268 nan 8.210 nan 0.000 0.522 485 R N 4.535 124.958 120.500 -0.129 0.000 2.553 485 R HA 0.756 5.098 4.340 0.003 0.000 0.263 485 R C -0.870 175.383 176.300 -0.079 0.000 1.066 485 R CA -0.783 55.274 56.100 -0.071 0.000 1.135 485 R CB 1.510 31.783 30.300 -0.046 0.000 1.148 485 R HN 0.347 nan 8.270 nan 0.000 0.558 486 V N -0.425 119.456 119.914 -0.056 0.000 2.962 486 V HA 0.712 4.834 4.120 0.003 0.000 0.313 486 V C 0.029 175.931 176.094 -0.319 0.000 1.099 486 V CA -0.805 61.422 62.300 -0.123 0.000 0.971 486 V CB 2.184 33.980 31.823 -0.045 0.000 1.028 486 V HN 0.963 nan 8.190 nan 0.000 0.430 487 G N 1.089 109.538 108.800 -0.586 0.000 2.612 487 G HA2 0.803 4.765 3.960 0.003 0.000 0.298 487 G HA3 0.803 4.765 3.960 0.003 0.000 0.298 487 G C -1.904 172.532 174.900 -0.772 0.000 1.336 487 G CA -0.452 44.162 45.100 -0.810 0.000 0.953 487 G HN 0.357 nan 8.290 nan 0.000 0.482 488 F N -0.185 119.805 119.950 0.065 0.000 2.565 488 F HA 0.742 5.271 4.527 0.003 0.000 0.313 488 F C 0.083 176.239 175.800 0.594 0.000 1.091 488 F CA -0.751 57.442 58.000 0.322 0.000 0.915 488 F CB 2.669 41.767 39.000 0.163 0.000 1.208 488 F HN 0.199 nan 8.300 nan 0.000 0.453 489 I N 1.195 122.156 120.570 0.652 0.000 2.841 489 I HA 0.484 4.656 4.170 0.003 0.000 0.298 489 I C -0.873 175.524 176.117 0.467 0.000 1.304 489 I CA -0.668 60.937 61.300 0.507 0.000 1.019 489 I CB 3.006 41.114 38.000 0.180 0.000 1.282 489 I HN 0.691 nan 8.210 nan 0.000 0.432 490 T N 1.047 115.873 114.554 0.454 0.000 2.916 490 T HA 0.874 5.226 4.350 0.003 0.000 0.292 490 T C -0.964 173.968 174.700 0.386 0.000 1.064 490 T CA -0.673 61.562 62.100 0.224 0.000 1.011 490 T CB 2.286 71.108 68.868 -0.077 0.000 1.152 490 T HN 0.686 nan 8.240 nan 0.000 0.510 491 Y N -1.255 119.109 120.300 0.107 0.000 2.779 491 Y HA 0.704 5.256 4.550 0.003 0.000 0.340 491 Y C -2.020 173.963 175.900 0.139 0.000 1.252 491 Y CA -1.299 56.906 58.100 0.174 0.000 1.072 491 Y CB 0.761 39.256 38.460 0.058 0.000 1.343 491 Y HN 0.999 nan 8.280 nan 0.000 0.450 492 N N 0.386 119.317 118.700 0.384 0.000 4.410 492 N HA 0.096 4.838 4.740 0.003 0.000 0.154 492 N C -0.863 174.797 175.510 0.251 0.000 1.371 492 N CA -0.563 52.654 53.050 0.278 0.000 0.935 492 N CB 0.149 38.739 38.487 0.173 0.000 1.726 492 N HN 1.196 nan 8.380 nan 0.000 0.817 493 K N -1.604 118.946 120.400 0.249 0.000 3.495 493 K HA -0.275 4.048 4.320 0.003 0.000 0.315 493 K C -1.459 175.200 176.600 0.098 0.000 1.301 493 K CA 1.727 58.108 56.287 0.157 0.000 0.985 493 K CB -1.728 30.853 32.500 0.135 0.000 1.244 493 K HN 0.405 nan 8.250 nan 0.000 0.433 494 V N 1.096 121.065 119.914 0.092 0.000 3.000 494 V HA 0.439 4.561 4.120 0.003 0.000 0.300 494 V C -1.014 174.983 176.094 -0.162 0.000 1.251 494 V CA -0.956 61.318 62.300 -0.043 0.000 0.972 494 V CB 1.945 33.735 31.823 -0.054 0.000 1.065 494 V HN 0.260 nan 8.190 nan 0.000 0.431 495 L N 4.013 125.077 121.223 -0.265 0.000 2.309 495 L HA 0.639 4.981 4.340 0.003 0.000 0.282 495 L C -1.103 175.464 176.870 -0.506 0.000 1.036 495 L CA -0.733 53.912 54.840 -0.325 0.000 0.806 495 L CB 1.450 43.314 42.059 -0.325 0.000 1.220 495 L HN 0.732 nan 8.230 nan 0.000 0.429 496 H N 2.314 121.301 119.070 -0.138 0.000 2.718 496 H HA 0.431 4.989 4.556 0.003 0.000 0.295 496 H C -0.659 174.390 175.328 -0.464 0.000 1.051 496 H CA -0.402 55.525 56.048 -0.201 0.000 1.260 496 H CB 0.564 30.296 29.762 -0.049 0.000 1.403 496 H HN 0.276 nan 8.280 nan 0.000 0.488 497 F N 1.795 121.587 119.950 -0.264 0.000 2.378 497 F HA 0.406 4.935 4.527 0.003 0.000 0.319 497 F C -0.013 175.560 175.800 -0.379 0.000 1.155 497 F CA -0.167 57.733 58.000 -0.167 0.000 1.157 497 F CB 0.672 39.534 39.000 -0.231 0.000 1.252 497 F HN 0.324 nan 8.300 nan 0.000 0.550 498 F N 0.700 120.981 119.950 0.551 0.000 2.569 498 F HA 0.274 4.804 4.527 0.003 0.000 0.312 498 F C -0.291 175.781 175.800 0.453 0.000 1.109 498 F CA -1.097 57.157 58.000 0.423 0.000 0.919 498 F CB 1.356 40.568 39.000 0.354 0.000 1.211 498 F HN 0.281 nan 8.300 nan 0.000 0.446 499 N N 2.142 121.123 118.700 0.468 0.000 2.437 499 N HA 0.391 5.133 4.740 0.003 0.000 0.259 499 N C -0.738 174.945 175.510 0.288 0.000 0.983 499 N CA -0.112 53.147 53.050 0.348 0.000 0.937 499 N CB 1.652 40.277 38.487 0.230 0.000 1.122 499 N HN 0.441 nan 8.380 nan 0.000 0.499 500 V N 3.392 123.460 119.914 0.257 0.000 2.838 500 V HA 0.197 4.319 4.120 0.003 0.000 0.363 500 V C 0.870 177.036 176.094 0.120 0.000 1.324 500 V CA -0.632 61.770 62.300 0.171 0.000 1.220 500 V CB -0.516 31.413 31.823 0.177 0.000 1.328 500 V HN 0.575 nan 8.190 nan 0.000 0.595 501 K N 1.744 122.214 120.400 0.117 0.000 2.494 501 K HA 0.016 4.338 4.320 0.003 0.000 0.273 501 K C 0.940 177.570 176.600 0.050 0.000 0.970 501 K CA 0.574 56.910 56.287 0.083 0.000 0.963 501 K CB 0.472 33.020 32.500 0.079 0.000 0.913 501 K HN 0.550 nan 8.250 nan 0.000 0.502 502 S N 2.690 118.410 115.700 0.034 0.000 4.175 502 S HA 0.091 4.564 4.470 0.003 0.000 0.193 502 S C -0.291 174.316 174.600 0.012 0.000 1.373 502 S CA -0.012 58.195 58.200 0.011 0.000 0.908 502 S CB -0.893 62.307 63.200 0.000 0.000 1.547 502 S HN 0.776 nan 8.310 nan 0.000 0.440 503 N N -0.209 118.502 118.700 0.018 0.000 2.183 503 N HA 0.060 4.802 4.740 0.003 0.000 0.214 503 N C -0.903 174.620 175.510 0.022 0.000 1.441 503 N CA -0.416 52.645 53.050 0.017 0.000 1.255 503 N CB -0.563 37.935 38.487 0.020 0.000 1.072 503 N HN 0.446 nan 8.380 nan 0.000 0.650 504 L N 0.634 121.873 121.223 0.027 0.000 2.307 504 L HA 0.831 5.173 4.340 0.003 0.000 0.284 504 L C 1.021 177.904 176.870 0.021 0.000 1.023 504 L CA -0.674 54.185 54.840 0.032 0.000 0.810 504 L CB 1.800 43.890 42.059 0.050 0.000 1.231 504 L HN 0.238 nan 8.230 nan 0.000 0.423 505 A N 2.705 125.537 122.820 0.019 0.000 2.072 505 A HA 0.009 4.331 4.320 0.003 0.000 0.216 505 A C 0.682 178.274 177.584 0.014 0.000 1.156 505 A CA 0.753 52.797 52.037 0.011 0.000 0.701 505 A CB 0.094 19.100 19.000 0.009 0.000 0.816 505 A HN 0.760 nan 8.150 nan 0.000 0.458 506 Q N 0.084 119.900 119.800 0.026 0.000 2.331 506 Q HA 0.420 4.763 4.340 0.003 0.000 0.272 506 Q C -3.072 172.963 176.000 0.058 0.000 1.062 506 Q CA -2.456 53.368 55.803 0.034 0.000 0.806 506 Q CB 2.899 31.657 28.738 0.034 0.000 1.312 506 Q HN 0.130 nan 8.270 nan 0.000 0.431 507 P HA 0.096 nan 4.420 nan 0.000 0.278 507 P C -1.168 176.237 177.300 0.174 0.000 1.238 507 P CA -0.101 63.074 63.100 0.125 0.000 0.794 507 P CB 1.234 32.998 31.700 0.107 0.000 0.955 508 Q N 1.244 121.166 119.800 0.204 0.000 2.205 508 Q HA 0.626 4.968 4.340 0.003 0.000 0.249 508 Q C -0.224 175.916 176.000 0.234 0.000 0.948 508 Q CA -0.696 55.216 55.803 0.182 0.000 0.895 508 Q CB 1.825 30.644 28.738 0.135 0.000 1.249 508 Q HN 0.464 nan 8.270 nan 0.000 0.458 509 M N 2.376 122.057 119.600 0.135 0.000 2.259 509 M HA 0.452 4.934 4.480 0.003 0.000 0.304 509 M C -1.918 174.372 176.300 -0.016 0.000 1.019 509 M CA -0.393 54.904 55.300 -0.005 0.000 0.922 509 M CB 1.363 33.983 32.600 0.033 0.000 1.600 509 M HN 0.651 nan 8.290 nan 0.000 0.433 510 M N 5.433 125.004 119.600 -0.049 0.000 2.078 510 M HA 0.430 4.912 4.480 0.003 0.000 0.320 510 M C -1.106 175.202 176.300 0.014 0.000 0.969 510 M CA -0.842 54.459 55.300 0.002 0.000 0.929 510 M CB 1.829 34.431 32.600 0.002 0.000 1.504 510 M HN 0.336 nan 8.290 nan 0.000 0.419 511 V N 4.288 124.206 119.914 0.006 0.000 2.432 511 V HA 0.376 4.498 4.120 0.003 0.000 0.275 511 V C -0.115 175.946 176.094 -0.054 0.000 1.043 511 V CA -0.654 61.625 62.300 -0.035 0.000 0.925 511 V CB 1.656 33.477 31.823 -0.004 0.000 0.985 511 V HN 0.591 nan 8.190 nan 0.000 0.466 512 V N 4.675 124.531 119.914 -0.097 0.000 2.350 512 V HA 0.276 4.398 4.120 0.003 0.000 0.285 512 V C 0.989 177.014 176.094 -0.115 0.000 1.014 512 V CA 0.098 62.300 62.300 -0.163 0.000 0.831 512 V CB 1.565 33.154 31.823 -0.390 0.000 1.000 512 V HN 1.052 nan 8.190 nan 0.000 0.433 513 T N -1.021 113.503 114.554 -0.050 0.000 3.086 513 T HA 0.035 4.387 4.350 0.003 0.000 0.250 513 T C 0.784 175.489 174.700 0.008 0.000 1.074 513 T CA 0.119 62.206 62.100 -0.021 0.000 0.988 513 T CB -0.068 68.804 68.868 0.006 0.000 0.988 513 T HN 0.460 nan 8.240 nan 0.000 0.530 514 D N 2.682 123.100 120.400 0.029 0.000 3.032 514 D HA 0.162 4.804 4.640 0.003 0.000 0.241 514 D C 0.244 176.571 176.300 0.045 0.000 1.196 514 D CA -0.320 53.722 54.000 0.070 0.000 0.927 514 D CB -0.810 40.093 40.800 0.171 0.000 1.129 514 D HN 0.181 nan 8.370 nan 0.000 0.458 515 V N 0.401 120.324 119.914 0.014 0.000 3.178 515 V HA 0.356 4.478 4.120 0.003 0.000 0.306 515 V C 1.971 178.076 176.094 0.018 0.000 1.107 515 V CA 0.925 63.228 62.300 0.004 0.000 1.195 515 V CB 0.859 32.685 31.823 0.004 0.000 0.993 515 V HN 0.655 nan 8.190 nan 0.000 0.493 516 G N 2.479 111.284 108.800 0.008 0.000 2.956 516 G HA2 -0.239 3.723 3.960 0.003 0.000 0.210 516 G HA3 -0.239 3.723 3.960 0.003 0.000 0.210 516 G C 0.422 175.333 174.900 0.018 0.000 1.316 516 G CA 0.377 45.483 45.100 0.010 0.000 0.819 516 G HN 0.773 nan 8.290 nan 0.000 0.544 517 E N 1.228 121.454 120.200 0.045 0.000 3.582 517 E HA 0.501 4.853 4.350 0.003 0.000 0.217 517 E C 0.657 177.339 176.600 0.136 0.000 1.092 517 E CA -0.269 56.171 56.400 0.066 0.000 1.365 517 E CB 0.436 30.171 29.700 0.058 0.000 1.278 517 E HN 0.476 nan 8.360 nan 0.000 0.439 518 V N 1.530 121.495 119.914 0.085 0.000 3.209 518 V HA 0.083 4.205 4.120 0.003 0.000 0.305 518 V C 0.178 176.367 176.094 0.159 0.000 1.127 518 V CA 0.548 62.883 62.300 0.058 0.000 1.235 518 V CB -0.464 31.353 31.823 -0.009 0.000 0.987 518 V HN 0.416 nan 8.190 nan 0.000 0.499 519 F N -0.319 119.594 119.950 -0.063 0.000 2.744 519 F HA 0.720 5.249 4.527 0.003 0.000 0.311 519 F C -1.125 174.493 175.800 -0.304 0.000 1.144 519 F CA -1.461 56.455 58.000 -0.140 0.000 0.938 519 F CB 1.255 40.174 39.000 -0.135 0.000 1.292 519 F HN 0.208 nan 8.300 nan 0.000 0.444 520 V N 2.889 122.642 119.914 -0.268 0.000 2.364 520 V HA 0.338 4.461 4.120 0.003 0.000 0.272 520 V C -1.542 174.266 176.094 -0.477 0.000 1.036 520 V CA -1.237 60.602 62.300 -0.770 0.000 0.880 520 V CB 1.140 32.639 31.823 -0.539 0.000 0.991 520 V HN 0.761 nan 8.190 nan 0.000 0.460 521 P HA 0.150 nan 4.420 nan 0.000 0.253 521 P C -0.123 177.052 177.300 -0.208 0.000 1.281 521 P CA 0.502 63.458 63.100 -0.239 0.000 0.792 521 P CB 0.657 32.184 31.700 -0.288 0.000 1.193 522 L N -0.791 120.259 121.223 -0.288 0.000 2.502 522 L HA 0.605 4.947 4.340 0.003 0.000 0.253 522 L C -1.130 175.707 176.870 -0.054 0.000 1.070 522 L CA -1.183 53.580 54.840 -0.128 0.000 0.871 522 L CB 2.665 44.677 42.059 -0.078 0.000 1.487 522 L HN -0.243 nan 8.230 nan 0.000 0.408 523 L N 1.955 123.205 121.223 0.046 0.000 3.055 523 L HA 0.245 4.587 4.340 0.003 0.000 0.261 523 L C -2.216 174.712 176.870 0.097 0.000 0.939 523 L CA -0.298 54.591 54.840 0.083 0.000 1.091 523 L CB 1.565 43.646 42.059 0.038 0.000 1.690 523 L HN 0.741 nan 8.230 nan 0.000 0.520 524 D N 4.050 124.527 120.400 0.129 0.000 4.280 524 D HA -0.041 4.601 4.640 0.003 0.000 0.225 524 D C 0.610 176.996 176.300 0.144 0.000 1.273 524 D CA 1.723 55.789 54.000 0.110 0.000 0.948 524 D CB -0.344 40.501 40.800 0.074 0.000 0.545 524 D HN 1.160 nan 8.370 nan 0.000 0.247 525 G N 1.577 110.476 108.800 0.166 0.000 2.231 525 G HA2 -0.237 3.725 3.960 0.003 0.000 0.206 525 G HA3 -0.237 3.725 3.960 0.003 0.000 0.206 525 G C -0.095 174.990 174.900 0.308 0.000 0.996 525 G CA 0.008 45.228 45.100 0.201 0.000 0.645 525 G HN 0.599 nan 8.290 nan 0.000 0.498 526 F N 2.148 122.184 119.950 0.144 0.000 2.610 526 F HA 0.703 5.232 4.527 0.004 0.000 0.355 526 F C 0.124 176.005 175.800 0.135 0.000 1.140 526 F CA -0.957 57.151 58.000 0.181 0.000 1.037 526 F CB 0.717 39.822 39.000 0.175 0.000 1.287 526 F HN 0.313 nan 8.300 nan 0.000 0.457 527 L N 6.628 127.726 121.223 -0.209 0.000 1.772 527 L HA -0.060 4.282 4.340 0.003 0.000 0.693 527 L C -1.518 175.344 176.870 -0.013 0.000 1.123 527 L CA -0.286 54.472 54.840 -0.137 0.000 1.417 527 L CB -1.584 40.452 42.059 -0.039 0.000 2.239 527 L HN 0.344 nan 8.230 nan 0.000 1.008 528 V N -0.639 119.279 119.914 0.007 0.000 3.164 528 V HA 0.439 4.561 4.120 0.003 0.000 0.313 528 V C 0.331 176.450 176.094 0.042 0.000 1.188 528 V CA -0.793 61.531 62.300 0.041 0.000 1.058 528 V CB 2.252 34.117 31.823 0.070 0.000 1.110 528 V HN 0.625 nan 8.190 nan 0.000 0.453 529 N N -0.403 118.317 118.700 0.034 0.000 2.430 529 N HA 0.110 4.852 4.740 0.003 0.000 0.265 529 N C 0.533 176.077 175.510 0.057 0.000 1.100 529 N CA -0.383 52.689 53.050 0.036 0.000 0.961 529 N CB 0.514 39.007 38.487 0.010 0.000 1.075 529 N HN 0.825 nan 8.380 nan 0.000 0.478 530 Y N 4.096 124.389 120.300 -0.012 0.000 2.315 530 Y HA -0.242 4.310 4.550 0.003 0.000 0.288 530 Y C 1.779 177.662 175.900 -0.029 0.000 1.154 530 Y CA 1.651 59.744 58.100 -0.013 0.000 1.229 530 Y CB 0.103 38.552 38.460 -0.020 0.000 0.980 530 Y HN 0.667 nan 8.280 nan 0.000 0.540 531 Q N 0.372 120.069 119.800 -0.172 0.000 1.994 531 Q HA -0.143 4.199 4.340 0.003 0.000 0.198 531 Q C 2.034 177.910 176.000 -0.207 0.000 0.976 531 Q CA 1.574 57.237 55.803 -0.234 0.000 0.828 531 Q CB -0.537 28.164 28.738 -0.062 0.000 0.894 531 Q HN 0.542 nan 8.270 nan 0.000 0.432 532 E N 1.063 121.197 120.200 -0.111 0.000 2.118 532 E HA -0.068 4.284 4.350 0.003 0.000 0.195 532 E C 1.344 177.890 176.600 -0.091 0.000 0.992 532 E CA 0.931 57.284 56.400 -0.078 0.000 0.804 532 E CB -0.120 29.558 29.700 -0.036 0.000 0.741 532 E HN 0.158 nan 8.360 nan 0.000 0.458 533 S N 1.048 116.682 115.700 -0.110 0.000 2.583 533 S HA 0.062 4.534 4.470 0.003 0.000 0.239 533 S C 1.374 175.863 174.600 -0.185 0.000 0.966 533 S CA -0.248 57.897 58.200 -0.093 0.000 0.973 533 S CB 0.603 63.792 63.200 -0.019 0.000 0.794 533 S HN 0.223 nan 8.310 nan 0.000 0.463 534 Q N 2.632 122.241 119.800 -0.318 0.000 1.978 534 Q HA -0.252 4.090 4.340 0.003 0.000 0.211 534 Q C 2.124 177.995 176.000 -0.215 0.000 1.013 534 Q CA 2.618 58.138 55.803 -0.472 0.000 0.869 534 Q CB -0.385 28.102 28.738 -0.417 0.000 0.953 534 Q HN 0.673 nan 8.270 nan 0.000 0.415 535 S N -0.841 114.820 115.700 -0.066 0.000 2.419 535 S HA -0.123 4.349 4.470 0.003 0.000 0.235 535 S C 1.878 176.469 174.600 -0.015 0.000 1.019 535 S CA 1.448 59.657 58.200 0.016 0.000 0.982 535 S CB -0.498 62.700 63.200 -0.004 0.000 0.789 535 S HN 0.315 nan 8.310 nan 0.000 0.490 536 V N 1.664 121.544 119.914 -0.057 0.000 2.535 536 V HA 0.028 4.150 4.120 0.003 0.000 0.246 536 V C 2.401 178.431 176.094 -0.106 0.000 1.045 536 V CA 1.163 63.432 62.300 -0.051 0.000 1.058 536 V CB -0.795 31.013 31.823 -0.024 0.000 0.689 536 V HN 0.452 nan 8.190 nan 0.000 0.461 537 I N -0.401 120.063 120.570 -0.177 0.000 2.163 537 I HA -0.209 3.963 4.170 0.003 0.000 0.240 537 I C 2.722 178.634 176.117 -0.342 0.000 1.081 537 I CA 1.527 62.630 61.300 -0.329 0.000 1.353 537 I CB -0.681 37.133 38.000 -0.310 0.000 1.054 537 I HN 0.342 nan 8.210 nan 0.000 0.407 538 H N 0.678 119.659 119.070 -0.149 0.000 2.353 538 H HA -0.195 4.363 4.556 0.003 0.000 0.298 538 H C 2.102 177.339 175.328 -0.151 0.000 1.103 538 H CA 1.503 57.470 56.048 -0.134 0.000 1.293 538 H CB -0.704 29.009 29.762 -0.082 0.000 1.372 538 H HN 0.370 nan 8.280 nan 0.000 0.501 539 N N 1.167 119.865 118.700 -0.004 0.000 2.037 539 N HA -0.158 4.584 4.740 0.003 0.000 0.196 539 N C 2.174 177.626 175.510 -0.098 0.000 1.034 539 N CA 1.409 54.434 53.050 -0.042 0.000 0.861 539 N CB -0.385 38.082 38.487 -0.034 0.000 1.039 539 N HN 0.254 nan 8.380 nan 0.000 0.427 540 L N 1.386 122.508 121.223 -0.169 0.000 2.046 540 L HA -0.044 4.298 4.340 0.003 0.000 0.208 540 L C 2.299 178.988 176.870 -0.300 0.000 1.077 540 L CA 1.374 56.056 54.840 -0.263 0.000 0.747 540 L CB -0.851 40.965 42.059 -0.404 0.000 0.896 540 L HN 0.227 nan 8.230 nan 0.000 0.432 541 L N -0.441 120.594 121.223 -0.313 0.000 2.191 541 L HA -0.193 4.149 4.340 0.003 0.000 0.212 541 L C 2.135 178.906 176.870 -0.164 0.000 1.103 541 L CA 1.131 55.808 54.840 -0.271 0.000 0.769 541 L CB -0.793 41.113 42.059 -0.255 0.000 0.908 541 L HN 0.350 nan 8.230 nan 0.000 0.438 542 D N -0.604 119.726 120.400 -0.116 0.000 2.149 542 D HA -0.148 4.494 4.640 0.003 0.000 0.201 542 D C 2.223 178.476 176.300 -0.079 0.000 0.972 542 D CA 0.939 54.889 54.000 -0.083 0.000 0.835 542 D CB 0.014 40.777 40.800 -0.061 0.000 0.966 542 D HN 0.426 nan 8.370 nan 0.000 0.476 543 Q N 0.249 119.997 119.800 -0.087 0.000 2.049 543 Q HA -0.007 4.335 4.340 0.003 0.000 0.198 543 Q C 2.560 178.539 176.000 -0.035 0.000 0.971 543 Q CA 0.417 56.185 55.803 -0.060 0.000 0.833 543 Q CB 0.098 28.806 28.738 -0.051 0.000 0.896 543 Q HN 0.291 nan 8.270 nan 0.000 0.434 544 I N 1.151 121.683 120.570 -0.063 0.000 2.181 544 I HA -0.298 3.874 4.170 0.003 0.000 0.247 544 I C -0.845 175.328 176.117 0.093 0.000 1.081 544 I CA 1.396 62.718 61.300 0.037 0.000 1.340 544 I CB -1.483 36.457 38.000 -0.100 0.000 1.036 544 I HN 0.182 nan 8.210 nan 0.000 0.417 545 P HA -0.144 nan 4.420 nan 0.000 0.215 545 P C 1.103 178.412 177.300 0.015 0.000 1.157 545 P CA 1.517 64.607 63.100 -0.016 0.000 0.868 545 P CB -0.016 31.648 31.700 -0.060 0.000 0.788 546 D N -1.283 119.116 120.400 -0.002 0.000 2.084 546 D HA -0.120 4.522 4.640 0.003 0.000 0.196 546 D C 1.955 178.245 176.300 -0.016 0.000 0.985 546 D CA 1.027 55.020 54.000 -0.012 0.000 0.826 546 D CB -0.724 40.060 40.800 -0.027 0.000 0.978 546 D HN 0.073 nan 8.370 nan 0.000 0.456 547 M N -0.410 119.175 119.600 -0.025 0.000 2.124 547 M HA -0.263 4.219 4.480 0.003 0.000 0.253 547 M C 1.248 177.355 176.300 -0.322 0.000 1.077 547 M CA 1.855 57.062 55.300 -0.156 0.000 1.085 547 M CB -0.112 32.422 32.600 -0.111 0.000 1.320 547 M HN -0.032 nan 8.290 nan 0.000 0.404 548 F N -1.441 118.477 119.950 -0.055 0.000 2.695 548 F HA 0.320 4.849 4.527 0.003 0.000 0.303 548 F C 1.892 177.670 175.800 -0.037 0.000 1.091 548 F CA 0.130 58.099 58.000 -0.053 0.000 1.300 548 F CB -0.548 38.402 39.000 -0.084 0.000 1.071 548 F HN 0.129 nan 8.300 nan 0.000 0.578 549 A N 0.354 123.226 122.820 0.087 0.000 1.896 549 A HA -0.263 4.059 4.320 0.003 0.000 0.220 549 A C 1.824 179.443 177.584 0.058 0.000 1.206 549 A CA 2.457 54.520 52.037 0.044 0.000 0.647 549 A CB -0.643 18.363 19.000 0.010 0.000 0.828 549 A HN 0.278 nan 8.150 nan 0.000 0.455 550 D N -0.271 120.157 120.400 0.047 0.000 2.328 550 D HA 0.117 4.759 4.640 0.003 0.000 0.221 550 D C 0.486 176.842 176.300 0.093 0.000 1.072 550 D CA 0.297 54.335 54.000 0.063 0.000 0.850 550 D CB -0.067 40.749 40.800 0.028 0.000 0.922 550 D HN 0.309 nan 8.370 nan 0.000 0.516 551 S N 0.767 116.543 115.700 0.125 0.000 2.558 551 S HA -0.073 4.399 4.470 0.003 0.000 0.293 551 S C 0.833 175.548 174.600 0.192 0.000 1.292 551 S CA -0.027 58.272 58.200 0.165 0.000 1.063 551 S CB 0.453 63.815 63.200 0.269 0.000 0.831 551 S HN 0.033 nan 8.310 nan 0.000 0.499 552 N N 2.198 120.979 118.700 0.135 0.000 2.282 552 N HA 0.199 4.941 4.740 0.003 0.000 0.240 552 N C -0.916 174.629 175.510 0.059 0.000 1.182 552 N CA -0.211 52.885 53.050 0.076 0.000 0.874 552 N CB 0.407 38.897 38.487 0.004 0.000 1.126 552 N HN 0.504 nan 8.380 nan 0.000 0.516 553 E N 0.107 120.384 120.200 0.129 0.000 2.313 553 E HA 0.212 4.564 4.350 0.003 0.000 0.276 553 E C 0.143 176.821 176.600 0.130 0.000 1.031 553 E CA 0.049 56.521 56.400 0.119 0.000 0.857 553 E CB 0.864 30.654 29.700 0.151 0.000 1.040 553 E HN 0.304 nan 8.360 nan 0.000 0.408 554 N N 1.814 120.571 118.700 0.095 0.000 2.445 554 N HA 0.015 4.757 4.740 0.003 0.000 0.204 554 N C -0.354 175.213 175.510 0.095 0.000 1.098 554 N CA 0.156 53.266 53.050 0.100 0.000 0.859 554 N CB 0.753 39.276 38.487 0.060 0.000 1.249 554 N HN 0.445 nan 8.380 nan 0.000 0.462 555 E N 1.276 121.534 120.200 0.097 0.000 2.313 555 E HA 0.279 4.632 4.350 0.003 0.000 0.272 555 E C 0.035 176.724 176.600 0.147 0.000 1.038 555 E CA -0.027 56.441 56.400 0.113 0.000 0.863 555 E CB 1.320 31.080 29.700 0.101 0.000 1.060 555 E HN 0.142 nan 8.360 nan 0.000 0.402 556 T N -2.109 112.561 114.554 0.194 0.000 2.864 556 T HA 0.583 4.935 4.350 0.003 0.000 0.299 556 T C -0.128 174.767 174.700 0.325 0.000 1.166 556 T CA -0.952 61.321 62.100 0.288 0.000 1.007 556 T CB 1.076 70.162 68.868 0.364 0.000 1.219 556 T HN 0.269 nan 8.240 nan 0.000 0.506 557 V N -0.550 119.567 119.914 0.338 0.000 3.211 557 V HA 0.852 4.974 4.120 0.003 0.000 0.319 557 V C 0.226 176.481 176.094 0.269 0.000 1.096 557 V CA -0.629 61.812 62.300 0.236 0.000 1.029 557 V CB 1.342 33.227 31.823 0.102 0.000 1.137 557 V HN 0.998 nan 8.190 nan 0.000 0.453 558 F N -0.085 119.850 119.950 -0.024 0.000 1.832 558 F HA 0.507 5.036 4.527 0.003 0.000 0.236 558 F C 2.244 177.977 175.800 -0.111 0.000 1.180 558 F CA 0.956 58.875 58.000 -0.135 0.000 1.297 558 F CB -0.238 38.702 39.000 -0.099 0.000 1.748 558 F HN 0.590 nan 8.300 nan 0.000 0.453 559 A N 1.289 124.186 122.820 0.129 0.000 1.958 559 A HA -0.150 4.172 4.320 0.003 0.000 0.221 559 A C -0.751 176.732 177.584 -0.168 0.000 1.178 559 A CA 2.485 54.489 52.037 -0.055 0.000 0.642 559 A CB -2.219 16.665 19.000 -0.194 0.000 0.816 559 A HN 0.408 nan 8.150 nan 0.000 0.453 560 P HA -0.075 nan 4.420 nan 0.000 0.218 560 P C 1.571 178.737 177.300 -0.223 0.000 1.149 560 P CA 1.182 64.192 63.100 -0.150 0.000 0.817 560 P CB -0.102 31.530 31.700 -0.113 0.000 0.785 561 V N -0.251 119.430 119.914 -0.387 0.000 2.270 561 V HA -0.227 3.896 4.120 0.003 0.000 0.245 561 V C 2.361 178.249 176.094 -0.343 0.000 1.043 561 V CA 1.649 63.657 62.300 -0.487 0.000 1.014 561 V CB -1.127 30.172 31.823 -0.874 0.000 0.645 561 V HN 0.038 nan 8.190 nan 0.000 0.447 562 I N -0.123 120.207 120.570 -0.401 0.000 2.208 562 I HA -0.317 3.855 4.170 0.003 0.000 0.245 562 I C 2.712 178.752 176.117 -0.128 0.000 1.097 562 I CA 1.864 63.015 61.300 -0.248 0.000 1.363 562 I CB -0.380 37.487 38.000 -0.222 0.000 1.051 562 I HN 0.371 nan 8.210 nan 0.000 0.413 563 Q N 1.312 121.036 119.800 -0.127 0.000 2.045 563 Q HA -0.252 4.090 4.340 0.003 0.000 0.206 563 Q C 2.152 178.132 176.000 -0.034 0.000 0.991 563 Q CA 2.758 58.520 55.803 -0.068 0.000 0.851 563 Q CB -0.404 28.288 28.738 -0.076 0.000 0.911 563 Q HN 0.510 nan 8.270 nan 0.000 0.418 564 A N -0.326 122.474 122.820 -0.033 0.000 1.877 564 A HA -0.038 4.284 4.320 0.003 0.000 0.216 564 A C 2.350 179.992 177.584 0.097 0.000 1.186 564 A CA 1.729 53.801 52.037 0.059 0.000 0.620 564 A CB -1.511 17.568 19.000 0.132 0.000 0.822 564 A HN 0.584 nan 8.150 nan 0.000 0.443 565 G N -0.796 108.044 108.800 0.068 0.000 2.440 565 G HA2 -0.288 3.674 3.960 0.003 0.000 0.218 565 G HA3 -0.288 3.674 3.960 0.003 0.000 0.218 565 G C 1.642 176.596 174.900 0.091 0.000 1.154 565 G CA 1.272 46.446 45.100 0.123 0.000 0.767 565 G HN 0.440 nan 8.290 nan 0.000 0.552 566 M N 0.103 119.725 119.600 0.038 0.000 2.080 566 M HA -0.097 4.385 4.480 0.003 0.000 0.260 566 M C 2.436 178.736 176.300 -0.001 0.000 1.068 566 M CA 2.183 57.502 55.300 0.030 0.000 1.109 566 M CB -0.286 32.331 32.600 0.028 0.000 1.342 566 M HN 0.246 nan 8.290 nan 0.000 0.405 567 E N 0.379 120.573 120.200 -0.010 0.000 2.049 567 E HA -0.161 4.191 4.350 0.003 0.000 0.198 567 E C 1.904 178.492 176.600 -0.020 0.000 1.007 567 E CA 2.236 58.611 56.400 -0.042 0.000 0.809 567 E CB -0.427 29.258 29.700 -0.025 0.000 0.749 567 E HN 0.604 nan 8.360 nan 0.000 0.450 568 A N 0.152 122.998 122.820 0.043 0.000 1.917 568 A HA -0.206 4.116 4.320 0.003 0.000 0.219 568 A C 2.300 179.956 177.584 0.120 0.000 1.182 568 A CA 1.624 53.727 52.037 0.110 0.000 0.633 568 A CB -0.766 18.423 19.000 0.316 0.000 0.819 568 A HN 0.304 nan 8.150 nan 0.000 0.448 569 L N -0.827 120.452 121.223 0.094 0.000 2.027 569 L HA -0.173 4.169 4.340 0.003 0.000 0.206 569 L C 2.645 179.521 176.870 0.011 0.000 1.074 569 L CA 1.825 56.702 54.840 0.061 0.000 0.745 569 L CB -0.449 41.644 42.059 0.057 0.000 0.898 569 L HN 0.438 nan 8.230 nan 0.000 0.433 570 K N 0.447 120.812 120.400 -0.058 0.000 2.113 570 K HA -0.254 4.068 4.320 0.003 0.000 0.208 570 K C 2.033 178.588 176.600 -0.075 0.000 1.047 570 K CA 1.614 57.810 56.287 -0.151 0.000 0.928 570 K CB -0.071 32.184 32.500 -0.407 0.000 0.716 570 K HN 0.311 nan 8.250 nan 0.000 0.446 571 A N 1.008 123.801 122.820 -0.044 0.000 1.855 571 A HA -0.037 4.285 4.320 0.003 0.000 0.215 571 A C 2.222 179.813 177.584 0.011 0.000 1.191 571 A CA 1.733 53.760 52.037 -0.017 0.000 0.613 571 A CB -0.722 18.273 19.000 -0.009 0.000 0.829 571 A HN 0.447 nan 8.150 nan 0.000 0.442 572 A N -1.002 121.840 122.820 0.036 0.000 2.239 572 A HA 0.198 4.521 4.320 0.003 0.000 0.209 572 A C 0.716 178.315 177.584 0.024 0.000 1.171 572 A CA 1.109 53.170 52.037 0.042 0.000 0.768 572 A CB -0.886 18.152 19.000 0.063 0.000 0.790 572 A HN 0.676 nan 8.150 nan 0.000 0.478 573 D N -1.348 119.062 120.400 0.017 0.000 2.740 573 D HA -0.178 4.464 4.640 0.003 0.000 0.231 573 D C -0.124 176.187 176.300 0.019 0.000 1.194 573 D CA 1.054 55.066 54.000 0.020 0.000 0.673 573 D CB -1.590 39.222 40.800 0.020 0.000 0.995 573 D HN 0.879 nan 8.370 nan 0.000 0.411 574 C N -0.588 118.721 119.300 0.015 0.000 3.239 574 C HA 0.888 5.351 4.460 0.003 0.000 0.317 574 C C -2.703 172.276 174.990 -0.019 0.000 1.310 574 C CA -1.597 57.416 59.018 -0.009 0.000 1.371 574 C CB 1.800 29.522 27.740 -0.030 0.000 1.714 574 C HN 0.220 nan 8.230 nan 0.000 0.473 575 P HA 0.612 nan 4.420 nan 0.000 0.276 575 P C -0.060 177.113 177.300 -0.212 0.000 1.261 575 P CA 0.588 63.642 63.100 -0.077 0.000 0.800 575 P CB 1.416 33.080 31.700 -0.059 0.000 1.066 576 G N -0.314 108.408 108.800 -0.131 0.000 2.600 576 G HA2 0.546 4.508 3.960 0.003 0.000 0.293 576 G HA3 0.546 4.508 3.960 0.003 0.000 0.293 576 G C -1.967 173.029 174.900 0.160 0.000 1.408 576 G CA -0.661 44.383 45.100 -0.094 0.000 0.782 576 G HN 0.642 nan 8.290 nan 0.000 0.482 577 K N 0.308 120.798 120.400 0.150 0.000 2.535 577 K HA 0.555 4.878 4.320 0.003 0.000 0.250 577 K C -1.182 175.321 176.600 -0.163 0.000 0.948 577 K CA -0.702 55.580 56.287 -0.010 0.000 0.796 577 K CB 1.551 33.971 32.500 -0.133 0.000 1.216 577 K HN 0.394 nan 8.250 nan 0.000 0.432 578 L N 4.766 125.870 121.223 -0.198 0.000 2.276 578 L HA 0.417 4.759 4.340 0.003 0.000 0.286 578 L C -0.680 176.040 176.870 -0.250 0.000 1.061 578 L CA -0.756 54.001 54.840 -0.138 0.000 0.807 578 L CB 0.437 42.446 42.059 -0.083 0.000 1.177 578 L HN 0.555 nan 8.230 nan 0.000 0.429 579 F N 4.256 124.035 119.950 -0.285 0.000 2.359 579 F HA 0.408 4.937 4.527 0.003 0.000 0.355 579 F C 0.427 176.127 175.800 -0.166 0.000 1.132 579 F CA -0.416 57.457 58.000 -0.211 0.000 1.246 579 F CB 0.138 39.006 39.000 -0.220 0.000 1.569 579 F HN 0.281 nan 8.300 nan 0.000 0.561 580 I N 2.842 123.413 120.570 0.002 0.000 2.395 580 I HA 0.158 4.330 4.170 0.003 0.000 0.289 580 I C -0.644 175.526 176.117 0.088 0.000 1.023 580 I CA -0.241 61.135 61.300 0.127 0.000 1.350 580 I CB 0.645 38.713 38.000 0.112 0.000 1.409 580 I HN 0.237 nan 8.210 nan 0.000 0.507 581 F N 5.213 125.471 119.950 0.513 0.000 2.311 581 F HA 0.344 4.873 4.527 0.003 0.000 0.371 581 F C 0.184 176.243 175.800 0.430 0.000 1.083 581 F CA -0.556 57.737 58.000 0.487 0.000 1.113 581 F CB 0.256 39.423 39.000 0.277 0.000 1.349 581 F HN 0.452 nan 8.300 nan 0.000 0.470 582 H N 0.146 119.517 119.070 0.502 0.000 2.616 582 H HA 0.488 5.046 4.556 0.003 0.000 0.353 582 H C 0.705 176.226 175.328 0.322 0.000 1.170 582 H CA -0.255 56.035 56.048 0.404 0.000 1.212 582 H CB 1.993 32.045 29.762 0.484 0.000 1.653 582 H HN 0.440 nan 8.280 nan 0.000 0.537 583 S N 0.455 116.048 115.700 -0.178 0.000 2.807 583 S HA 0.322 4.794 4.470 0.003 0.000 0.247 583 S C 0.022 174.607 174.600 -0.025 0.000 1.078 583 S CA 0.097 58.275 58.200 -0.036 0.000 0.867 583 S CB 0.417 63.554 63.200 -0.106 0.000 0.797 583 S HN 0.359 nan 8.310 nan 0.000 0.515 584 S N 0.234 115.861 115.700 -0.123 0.000 2.697 584 S HA 0.515 4.987 4.470 0.003 0.000 0.289 584 S C -1.094 173.555 174.600 0.082 0.000 1.149 584 S CA -0.825 57.377 58.200 0.002 0.000 0.850 584 S CB 1.302 64.511 63.200 0.015 0.000 1.151 584 S HN 0.531 nan 8.310 nan 0.000 0.491 585 L N 4.519 125.762 121.223 0.034 0.000 2.700 585 L HA 0.126 4.468 4.340 0.003 0.000 0.272 585 L C -1.989 174.952 176.870 0.119 0.000 1.176 585 L CA -1.029 53.823 54.840 0.019 0.000 0.961 585 L CB 0.440 42.494 42.059 -0.009 0.000 1.249 585 L HN 0.331 nan 8.230 nan 0.000 0.487 586 P HA 0.037 nan 4.420 nan 0.000 0.268 586 P C 0.290 177.690 177.300 0.167 0.000 1.282 586 P CA -0.156 63.094 63.100 0.250 0.000 0.880 586 P CB 0.611 32.487 31.700 0.294 0.000 0.971 587 T N 0.044 114.687 114.554 0.149 0.000 3.023 587 T HA 0.238 4.590 4.350 0.003 0.000 0.249 587 T C 1.066 175.830 174.700 0.107 0.000 1.050 587 T CA 0.052 62.221 62.100 0.116 0.000 1.088 587 T CB -0.186 68.741 68.868 0.099 0.000 0.946 587 T HN 0.395 nan 8.240 nan 0.000 0.480 588 A N 2.063 124.954 122.820 0.119 0.000 2.565 588 A HA 0.196 4.518 4.320 0.003 0.000 0.237 588 A C 0.198 177.835 177.584 0.088 0.000 1.053 588 A CA -0.178 51.920 52.037 0.102 0.000 0.755 588 A CB -0.288 18.782 19.000 0.116 0.000 0.980 588 A HN 0.599 nan 8.150 nan 0.000 0.506 589 E N 0.473 120.715 120.200 0.069 0.000 2.417 589 E HA 0.396 4.749 4.350 0.003 0.000 0.261 589 E C 0.220 176.850 176.600 0.050 0.000 1.000 589 E CA 1.002 57.435 56.400 0.056 0.000 0.919 589 E CB 0.404 30.131 29.700 0.045 0.000 0.955 589 E HN 0.973 nan 8.360 nan 0.000 0.455 590 A N 4.378 127.223 122.820 0.043 0.000 2.522 590 A HA 0.339 4.661 4.320 0.003 0.000 0.294 590 A C -2.767 174.824 177.584 0.012 0.000 1.001 590 A CA -1.318 50.735 52.037 0.027 0.000 0.642 590 A CB 0.624 19.643 19.000 0.032 0.000 1.326 590 A HN 0.425 nan 8.150 nan 0.000 0.435 591 P HA 0.358 nan 4.420 nan 0.000 0.265 591 P C 0.929 178.180 177.300 -0.082 0.000 1.193 591 P CA 1.892 64.962 63.100 -0.051 0.000 0.765 591 P CB 0.638 32.297 31.700 -0.069 0.000 0.823 592 G N 1.520 110.253 108.800 -0.111 0.000 2.141 592 G HA2 -0.254 3.708 3.960 0.003 0.000 0.242 592 G HA3 -0.254 3.708 3.960 0.003 0.000 0.242 592 G C 0.212 175.174 174.900 0.102 0.000 0.982 592 G CA 0.091 45.104 45.100 -0.146 0.000 0.662 592 G HN 0.783 nan 8.290 nan 0.000 0.527 593 K N 0.525 120.972 120.400 0.078 0.000 2.472 593 K HA 0.371 4.693 4.320 0.003 0.000 0.280 593 K C 0.265 176.940 176.600 0.125 0.000 1.028 593 K CA -0.078 56.272 56.287 0.105 0.000 1.045 593 K CB 0.025 32.569 32.500 0.074 0.000 0.902 593 K HN 0.294 nan 8.250 nan 0.000 0.478 594 L N 5.220 126.521 121.223 0.130 0.000 2.307 594 L HA 0.353 4.695 4.340 0.003 0.000 0.284 594 L C 0.408 177.341 176.870 0.104 0.000 1.023 594 L CA -0.738 54.170 54.840 0.113 0.000 0.810 594 L CB 1.719 43.819 42.059 0.068 0.000 1.231 594 L HN 0.699 nan 8.230 nan 0.000 0.423 595 K N 1.326 121.790 120.400 0.107 0.000 2.760 595 K HA 0.246 4.568 4.320 0.003 0.000 0.285 595 K C 0.144 176.841 176.600 0.162 0.000 1.016 595 K CA -0.765 55.585 56.287 0.105 0.000 1.087 595 K CB 0.462 33.005 32.500 0.073 0.000 1.427 595 K HN 0.377 nan 8.250 nan 0.000 0.524 596 N N 1.572 120.344 118.700 0.119 0.000 2.610 596 N HA 0.027 4.769 4.740 0.003 0.000 0.309 596 N C -0.367 175.091 175.510 -0.086 0.000 1.536 596 N CA -0.077 53.037 53.050 0.107 0.000 0.954 596 N CB 0.258 38.782 38.487 0.063 0.000 1.310 596 N HN 0.394 nan 8.380 nan 0.000 0.502 597 R N -0.587 119.896 120.500 -0.028 0.000 2.808 597 R HA 0.046 4.388 4.340 0.003 0.000 0.215 597 R C -0.303 175.884 176.300 -0.188 0.000 1.569 597 R CA 0.057 56.110 56.100 -0.079 0.000 1.396 597 R CB -0.535 29.760 30.300 -0.008 0.000 1.048 597 R HN -0.061 nan 8.270 nan 0.000 0.501 598 D N 1.350 121.518 120.400 -0.387 0.000 2.383 598 D HA 0.063 4.705 4.640 0.003 0.000 0.245 598 D C -0.849 175.314 176.300 -0.230 0.000 1.263 598 D CA 0.162 53.914 54.000 -0.414 0.000 0.936 598 D CB 0.412 40.806 40.800 -0.677 0.000 1.053 598 D HN 0.316 nan 8.370 nan 0.000 0.507 599 D N 1.621 121.927 120.400 -0.157 0.000 2.326 599 D HA 0.112 4.754 4.640 0.003 0.000 0.248 599 D C 0.096 176.345 176.300 -0.084 0.000 1.001 599 D CA -0.615 53.324 54.000 -0.103 0.000 0.961 599 D CB 1.490 42.247 40.800 -0.072 0.000 1.183 599 D HN 0.084 nan 8.370 nan 0.000 0.502 600 K N 1.322 121.687 120.400 -0.059 0.000 3.001 600 K HA 0.103 4.425 4.320 0.003 0.000 0.257 600 K C -0.601 175.983 176.600 -0.027 0.000 1.290 600 K CA -0.052 56.210 56.287 -0.042 0.000 1.252 600 K CB -0.530 31.951 32.500 -0.033 0.000 1.656 600 K HN 0.065 nan 8.250 nan 0.000 0.351 601 K N 3.737 124.120 120.400 -0.028 0.000 2.385 601 K HA 0.272 4.594 4.320 0.003 0.000 0.229 601 K C -0.500 176.103 176.600 0.005 0.000 1.089 601 K CA -0.388 55.893 56.287 -0.010 0.000 1.060 601 K CB -0.072 32.421 32.500 -0.012 0.000 1.698 601 K HN 0.397 nan 8.250 nan 0.000 0.469 602 L N -3.739 117.490 121.223 0.010 0.000 2.786 602 L HA 0.499 4.842 4.340 0.003 0.000 0.259 602 L C 0.629 177.513 176.870 0.023 0.000 1.099 602 L CA -1.404 53.453 54.840 0.027 0.000 0.995 602 L CB 0.765 42.845 42.059 0.036 0.000 1.580 602 L HN 0.016 nan 8.230 nan 0.000 0.373 603 V N -1.598 118.333 119.914 0.028 0.000 0.742 603 V HA -0.315 3.808 4.120 0.003 0.000 0.052 603 V C 0.665 176.771 176.094 0.019 0.000 2.606 603 V CA 2.105 64.418 62.300 0.021 0.000 3.582 603 V CB -1.616 30.216 31.823 0.015 0.000 1.239 603 V HN 1.006 nan 8.190 nan 0.000 1.110 604 N N -3.152 115.560 118.700 0.020 0.000 2.180 604 N HA -0.034 4.708 4.740 0.003 0.000 0.221 604 N C 0.783 176.304 175.510 0.019 0.000 1.456 604 N CA 0.791 53.852 53.050 0.019 0.000 1.302 604 N CB 0.016 38.512 38.487 0.015 0.000 1.068 604 N HN 0.475 nan 8.380 nan 0.000 0.681 605 T N 0.352 114.918 114.554 0.020 0.000 2.778 605 T HA -0.169 4.184 4.350 0.003 0.000 0.269 605 T C 0.860 175.572 174.700 0.021 0.000 1.050 605 T CA 1.648 63.758 62.100 0.018 0.000 1.137 605 T CB 0.016 68.894 68.868 0.018 0.000 0.860 605 T HN 0.326 nan 8.240 nan 0.000 0.468 606 D N -0.527 119.888 120.400 0.025 0.000 2.705 606 D HA -0.172 4.470 4.640 0.003 0.000 0.187 606 D C 1.016 177.334 176.300 0.029 0.000 1.015 606 D CA 1.510 55.526 54.000 0.027 0.000 1.030 606 D CB -0.800 40.014 40.800 0.024 0.000 1.100 606 D HN 0.459 nan 8.370 nan 0.000 0.439 607 K N 0.829 121.245 120.400 0.027 0.000 2.374 607 K HA 0.087 4.409 4.320 0.003 0.000 0.202 607 K C 1.604 178.224 176.600 0.034 0.000 1.040 607 K CA 0.294 56.597 56.287 0.026 0.000 1.085 607 K CB 0.389 32.900 32.500 0.017 0.000 0.873 607 K HN 0.158 nan 8.250 nan 0.000 0.539 608 E N 2.076 122.304 120.200 0.047 0.000 2.209 608 E HA -0.250 4.102 4.350 0.003 0.000 0.196 608 E C 1.507 178.186 176.600 0.131 0.000 0.993 608 E CA 1.467 57.913 56.400 0.077 0.000 0.819 608 E CB 0.114 29.868 29.700 0.090 0.000 0.745 608 E HN 0.298 nan 8.360 nan 0.000 0.477 609 K N 0.762 121.223 120.400 0.101 0.000 2.074 609 K HA -0.205 4.117 4.320 0.003 0.000 0.209 609 K C 2.090 178.758 176.600 0.114 0.000 1.048 609 K CA 1.972 58.324 56.287 0.108 0.000 0.926 609 K CB -0.737 31.772 32.500 0.016 0.000 0.713 609 K HN 0.263 nan 8.250 nan 0.000 0.444 610 I N 1.654 122.257 120.570 0.055 0.000 2.399 610 I HA -0.262 3.910 4.170 0.003 0.000 0.254 610 I C 2.424 178.549 176.117 0.012 0.000 1.146 610 I CA 1.055 62.373 61.300 0.029 0.000 1.412 610 I CB -0.403 37.605 38.000 0.014 0.000 1.076 610 I HN 0.172 nan 8.210 nan 0.000 0.432 611 L N -0.509 120.709 121.223 -0.008 0.000 2.131 611 L HA -0.177 4.165 4.340 0.003 0.000 0.210 611 L C 1.973 178.684 176.870 -0.265 0.000 1.092 611 L CA 1.429 56.173 54.840 -0.160 0.000 0.759 611 L CB -0.281 41.609 42.059 -0.281 0.000 0.903 611 L HN 0.186 nan 8.230 nan 0.000 0.435 612 F N -0.979 118.944 119.950 -0.044 0.000 2.776 612 F HA 0.092 4.621 4.527 0.003 0.000 0.300 612 F C 1.242 177.003 175.800 -0.066 0.000 1.116 612 F CA -0.135 57.829 58.000 -0.059 0.000 1.375 612 F CB 0.113 39.064 39.000 -0.081 0.000 1.109 612 F HN 0.073 nan 8.300 nan 0.000 0.585 613 Q N 1.963 121.809 119.800 0.076 0.000 2.205 613 Q HA 0.274 4.616 4.340 0.003 0.000 0.249 613 Q C -2.307 173.696 176.000 0.004 0.000 0.948 613 Q CA -2.272 53.547 55.803 0.027 0.000 0.895 613 Q CB 0.622 29.366 28.738 0.010 0.000 1.249 613 Q HN -0.105 nan 8.270 nan 0.000 0.458 614 P HA -0.043 nan 4.420 nan 0.000 0.271 614 P C -0.350 176.985 177.300 0.058 0.000 1.218 614 P CA 0.186 63.286 63.100 0.000 0.000 0.780 614 P CB 0.995 32.713 31.700 0.031 0.000 0.901 615 Q N 0.607 120.451 119.800 0.073 0.000 1.942 615 Q HA -0.052 4.290 4.340 0.003 0.000 0.203 615 Q C 0.610 176.676 176.000 0.110 0.000 0.987 615 Q CA 1.457 57.314 55.803 0.089 0.000 0.844 615 Q CB -0.761 28.036 28.738 0.097 0.000 0.911 615 Q HN 0.554 nan 8.270 nan 0.000 0.423 616 T N 1.132 115.787 114.554 0.169 0.000 2.816 616 T HA 0.026 4.378 4.350 0.003 0.000 0.282 616 T C 0.801 175.567 174.700 0.109 0.000 0.993 616 T CA -0.505 61.662 62.100 0.112 0.000 0.994 616 T CB 0.600 69.505 68.868 0.062 0.000 1.025 616 T HN 0.216 nan 8.240 nan 0.000 0.529 617 N N 0.688 119.418 118.700 0.049 0.000 2.336 617 N HA -0.048 4.694 4.740 0.003 0.000 0.189 617 N C 1.790 177.308 175.510 0.014 0.000 1.113 617 N CA 0.310 53.385 53.050 0.043 0.000 0.858 617 N CB -0.026 38.477 38.487 0.026 0.000 0.970 617 N HN 0.506 nan 8.380 nan 0.000 0.471 618 V N -1.154 118.729 119.914 -0.051 0.000 2.358 618 V HA -0.145 3.977 4.120 0.003 0.000 0.246 618 V C 1.779 177.780 176.094 -0.154 0.000 1.047 618 V CA 1.070 63.279 62.300 -0.150 0.000 1.035 618 V CB -1.451 30.198 31.823 -0.291 0.000 0.658 618 V HN 0.064 nan 8.190 nan 0.000 0.452 619 Y N 1.219 121.537 120.300 0.031 0.000 2.165 619 Y HA -0.198 4.354 4.550 0.003 0.000 0.286 619 Y C 2.782 178.697 175.900 0.024 0.000 1.155 619 Y CA 2.161 60.282 58.100 0.035 0.000 1.164 619 Y CB -0.506 37.975 38.460 0.035 0.000 0.978 619 Y HN 0.268 nan 8.280 nan 0.000 0.513 620 D N -0.543 119.953 120.400 0.159 0.000 2.117 620 D HA -0.138 4.504 4.640 0.003 0.000 0.197 620 D C 2.171 178.504 176.300 0.056 0.000 0.987 620 D CA 1.575 55.630 54.000 0.093 0.000 0.829 620 D CB -0.008 40.834 40.800 0.069 0.000 0.961 620 D HN 0.294 nan 8.370 nan 0.000 0.460 621 S N 0.890 116.611 115.700 0.035 0.000 2.356 621 S HA -0.160 4.312 4.470 0.003 0.000 0.223 621 S C 1.928 176.539 174.600 0.018 0.000 1.032 621 S CA 0.419 58.629 58.200 0.015 0.000 1.005 621 S CB -0.343 62.856 63.200 -0.002 0.000 0.867 621 S HN 0.176 nan 8.310 nan 0.000 0.449 622 L N 2.135 123.366 121.223 0.013 0.000 2.079 622 L HA -0.069 4.273 4.340 0.003 0.000 0.210 622 L C 2.352 179.247 176.870 0.043 0.000 1.081 622 L CA 1.844 56.694 54.840 0.018 0.000 0.752 622 L CB -1.143 40.917 42.059 0.001 0.000 0.896 622 L HN 0.259 nan 8.230 nan 0.000 0.433 623 A N -0.739 122.116 122.820 0.059 0.000 1.877 623 A HA -0.238 4.084 4.320 0.003 0.000 0.216 623 A C 2.369 179.968 177.584 0.026 0.000 1.186 623 A CA 1.973 54.039 52.037 0.049 0.000 0.620 623 A CB -0.525 18.508 19.000 0.055 0.000 0.822 623 A HN 0.495 nan 8.150 nan 0.000 0.443 624 K N -0.515 119.896 120.400 0.019 0.000 2.057 624 K HA -0.156 4.167 4.320 0.003 0.000 0.207 624 K C 1.520 178.117 176.600 -0.005 0.000 1.049 624 K CA 1.498 57.785 56.287 -0.000 0.000 0.931 624 K CB -0.272 32.227 32.500 -0.003 0.000 0.714 624 K HN 0.424 nan 8.250 nan 0.000 0.440 625 D N 0.539 120.953 120.400 0.024 0.000 2.144 625 D HA -0.134 4.509 4.640 0.003 0.000 0.199 625 D C 2.000 178.368 176.300 0.113 0.000 0.984 625 D CA 0.842 54.883 54.000 0.068 0.000 0.834 625 D CB -0.415 40.449 40.800 0.106 0.000 0.955 625 D HN 0.196 nan 8.370 nan 0.000 0.465 626 C N 0.269 119.617 119.300 0.080 0.000 2.432 626 C HA -0.079 4.383 4.460 0.003 0.000 0.277 626 C C 2.955 177.979 174.990 0.057 0.000 1.249 626 C CA 0.253 59.321 59.018 0.084 0.000 1.725 626 C CB -0.786 26.983 27.740 0.048 0.000 2.028 626 C HN 0.169 nan 8.230 nan 0.000 0.477 627 V N 1.497 121.419 119.914 0.014 0.000 2.407 627 V HA -0.210 3.912 4.120 0.003 0.000 0.248 627 V C 2.687 178.754 176.094 -0.046 0.000 1.055 627 V CA 2.148 64.443 62.300 -0.009 0.000 1.049 627 V CB -1.312 30.497 31.823 -0.023 0.000 0.662 627 V HN 0.606 nan 8.190 nan 0.000 0.455 628 A N -1.048 121.702 122.820 -0.117 0.000 1.972 628 A HA -0.210 4.112 4.320 0.003 0.000 0.219 628 A C 1.806 179.166 177.584 -0.373 0.000 1.169 628 A CA 1.590 53.465 52.037 -0.271 0.000 0.635 628 A CB -0.546 18.218 19.000 -0.394 0.000 0.810 628 A HN 0.709 nan 8.150 nan 0.000 0.446 629 H N -1.295 117.788 119.070 0.021 0.000 2.487 629 H HA 0.312 4.870 4.556 0.003 0.000 0.290 629 H C 1.309 176.660 175.328 0.038 0.000 1.081 629 H CA 0.150 56.213 56.048 0.026 0.000 1.116 629 H CB -0.369 29.406 29.762 0.022 0.000 1.560 629 H HN 0.562 nan 8.280 nan 0.000 0.548 630 G N 1.700 110.564 108.800 0.107 0.000 2.356 630 G HA2 -0.290 3.672 3.960 0.003 0.000 0.296 630 G HA3 -0.290 3.672 3.960 0.003 0.000 0.296 630 G C 0.236 175.224 174.900 0.147 0.000 1.022 630 G CA 0.546 45.721 45.100 0.126 0.000 0.961 630 G HN 0.545 nan 8.290 nan 0.000 0.510 631 C N 0.780 120.153 119.300 0.122 0.000 2.298 631 C HA 0.850 5.312 4.460 0.003 0.000 0.323 631 C C 0.631 175.664 174.990 0.071 0.000 1.284 631 C CA 0.089 59.169 59.018 0.103 0.000 1.577 631 C CB 1.105 28.897 27.740 0.087 0.000 2.249 631 C HN 0.850 nan 8.230 nan 0.000 0.497 632 S N 3.804 119.545 115.700 0.068 0.000 2.501 632 S HA 0.726 5.198 4.470 0.003 0.000 0.301 632 S C -0.889 173.658 174.600 -0.089 0.000 1.096 632 S CA -0.491 57.699 58.200 -0.018 0.000 1.063 632 S CB 1.599 64.770 63.200 -0.047 0.000 1.042 632 S HN 1.420 nan 8.310 nan 0.000 0.494 633 V N 4.831 124.677 119.914 -0.115 0.000 2.444 633 V HA 0.702 4.825 4.120 0.003 0.000 0.294 633 V C -0.633 175.345 176.094 -0.194 0.000 1.022 633 V CA -0.036 62.176 62.300 -0.148 0.000 0.850 633 V CB 1.457 33.230 31.823 -0.084 0.000 0.992 633 V HN 0.919 nan 8.190 nan 0.000 0.426 634 T N 8.330 122.708 114.554 -0.293 0.000 2.771 634 T HA 0.596 4.948 4.350 0.003 0.000 0.281 634 T C -0.765 173.791 174.700 -0.239 0.000 0.982 634 T CA -0.168 61.742 62.100 -0.316 0.000 0.978 634 T CB 1.156 69.747 68.868 -0.462 0.000 0.930 634 T HN 0.740 nan 8.240 nan 0.000 0.447 635 L N 4.259 125.365 121.223 -0.195 0.000 2.305 635 L HA 0.644 4.986 4.340 0.003 0.000 0.284 635 L C -1.593 175.201 176.870 -0.126 0.000 1.013 635 L CA -0.651 54.149 54.840 -0.068 0.000 0.819 635 L CB 0.455 42.547 42.059 0.055 0.000 1.227 635 L HN 0.525 nan 8.230 nan 0.000 0.417 636 F N 6.383 126.396 119.950 0.106 0.000 2.313 636 F HA 0.430 4.959 4.527 0.003 0.000 0.369 636 F C -0.280 175.625 175.800 0.175 0.000 1.109 636 F CA -0.443 57.677 58.000 0.200 0.000 1.132 636 F CB 1.214 40.432 39.000 0.364 0.000 1.291 636 F HN 0.307 nan 8.300 nan 0.000 0.496 637 L N 4.756 126.024 121.223 0.074 0.000 2.282 637 L HA 0.477 4.819 4.340 0.003 0.000 0.288 637 L C -1.067 175.732 176.870 -0.117 0.000 1.033 637 L CA -0.496 54.390 54.840 0.077 0.000 0.807 637 L CB 0.328 42.369 42.059 -0.030 0.000 1.209 637 L HN 0.340 nan 8.230 nan 0.000 0.423 638 F N 6.247 126.260 119.950 0.104 0.000 2.532 638 F HA 0.405 4.934 4.527 0.003 0.000 0.313 638 F C -1.894 173.935 175.800 0.050 0.000 1.301 638 F CA -2.084 55.963 58.000 0.078 0.000 1.154 638 F CB -0.320 38.629 39.000 -0.085 0.000 1.335 638 F HN 0.384 nan 8.300 nan 0.000 0.542 639 P HA 0.058 nan 4.420 nan 0.000 0.271 639 P C 0.459 177.825 177.300 0.109 0.000 1.244 639 P CA 0.156 63.303 63.100 0.078 0.000 0.793 639 P CB 1.859 33.552 31.700 -0.012 0.000 0.984 640 S N -2.033 113.718 115.700 0.085 0.000 2.760 640 S HA 0.089 4.561 4.470 0.003 0.000 0.263 640 S C -0.097 174.551 174.600 0.080 0.000 1.007 640 S CA -0.161 58.096 58.200 0.096 0.000 1.358 640 S CB 0.057 63.320 63.200 0.105 0.000 1.228 640 S HN 0.672 nan 8.310 nan 0.000 0.684 641 Q N -0.331 119.511 119.800 0.070 0.000 2.738 641 Q HA 0.277 4.619 4.340 0.003 0.000 0.301 641 Q C -1.544 174.511 176.000 0.092 0.000 0.901 641 Q CA -0.762 55.094 55.803 0.088 0.000 0.756 641 Q CB 0.705 29.500 28.738 0.093 0.000 1.463 641 Q HN 0.237 nan 8.270 nan 0.000 0.432 642 Y N 0.788 121.088 120.300 -0.000 0.000 2.993 642 Y HA -0.010 4.542 4.550 0.004 0.000 0.340 642 Y C -0.100 175.788 175.900 -0.020 0.000 1.273 642 Y CA 1.506 59.594 58.100 -0.020 0.000 1.545 642 Y CB 0.508 38.953 38.460 -0.025 0.000 1.275 642 Y HN 0.337 nan 8.280 nan 0.000 0.617 643 V N 3.365 122.779 119.914 -0.833 0.000 3.392 643 V HA 0.063 4.185 4.120 0.003 0.000 0.285 643 V C -0.329 175.238 176.094 -0.878 0.000 1.582 643 V CA 0.554 62.456 62.300 -0.663 0.000 1.034 643 V CB -0.276 31.356 31.823 -0.318 0.000 0.846 643 V HN 0.937 nan 8.190 nan 0.000 0.431 644 D N 0.432 119.989 120.400 -1.406 0.000 3.133 644 D HA -0.156 4.486 4.640 0.003 0.000 0.239 644 D C 0.769 176.822 176.300 -0.413 0.000 1.136 644 D CA 0.754 54.323 54.000 -0.718 0.000 0.898 644 D CB -0.813 39.732 40.800 -0.426 0.000 0.959 644 D HN 0.126 nan 8.370 nan 0.000 0.415 645 V N 1.754 121.479 119.914 -0.314 0.000 2.515 645 V HA -0.185 3.937 4.120 0.003 0.000 0.250 645 V C 2.710 178.694 176.094 -0.184 0.000 1.058 645 V CA 2.113 64.276 62.300 -0.228 0.000 1.064 645 V CB -0.593 31.151 31.823 -0.132 0.000 0.675 645 V HN 0.691 nan 8.190 nan 0.000 0.461 646 A N -1.217 121.513 122.820 -0.150 0.000 2.131 646 A HA -0.183 4.139 4.320 0.003 0.000 0.220 646 A C 2.444 179.927 177.584 -0.169 0.000 1.158 646 A CA 2.186 54.163 52.037 -0.100 0.000 0.665 646 A CB -0.305 18.648 19.000 -0.078 0.000 0.795 646 A HN 0.487 nan 8.150 nan 0.000 0.460 647 S N -1.241 114.288 115.700 -0.285 0.000 2.591 647 S HA 0.227 4.699 4.470 0.003 0.000 0.235 647 S C 1.556 175.727 174.600 -0.716 0.000 1.074 647 S CA 0.102 58.005 58.200 -0.495 0.000 0.925 647 S CB -0.170 62.735 63.200 -0.490 0.000 0.818 647 S HN 0.487 nan 8.310 nan 0.000 0.535 648 L N 1.075 121.923 121.223 -0.625 0.000 2.456 648 L HA 0.052 4.394 4.340 0.003 0.000 0.224 648 L C 1.955 178.614 176.870 -0.352 0.000 1.148 648 L CA 1.042 55.465 54.840 -0.694 0.000 0.825 648 L CB -0.421 41.206 42.059 -0.720 0.000 0.937 648 L HN 0.389 nan 8.230 nan 0.000 0.450 649 G N -1.219 107.432 108.800 -0.249 0.000 3.159 649 G HA2 0.052 4.014 3.960 0.003 0.000 0.232 649 G HA3 0.052 4.014 3.960 0.003 0.000 0.232 649 G C 1.229 176.073 174.900 -0.092 0.000 1.116 649 G CA -0.262 44.761 45.100 -0.127 0.000 0.767 649 G HN 0.101 nan 8.290 nan 0.000 0.547 650 L N 0.712 121.865 121.223 -0.115 0.000 1.988 650 L HA 0.042 4.384 4.340 0.003 0.000 0.207 650 L C 2.833 179.703 176.870 -0.001 0.000 1.071 650 L CA 1.625 56.435 54.840 -0.051 0.000 0.744 650 L CB -0.462 41.570 42.059 -0.045 0.000 0.893 650 L HN 0.034 nan 8.230 nan 0.000 0.433 651 V N 1.199 121.142 119.914 0.049 0.000 2.282 651 V HA -0.204 3.919 4.120 0.003 0.000 0.249 651 V C -0.401 175.704 176.094 0.019 0.000 1.057 651 V CA 2.380 64.726 62.300 0.077 0.000 1.032 651 V CB -2.277 29.639 31.823 0.156 0.000 0.645 651 V HN 0.463 nan 8.190 nan 0.000 0.447 652 P HA -0.168 nan 4.420 nan 0.000 0.223 652 P C 1.564 178.819 177.300 -0.074 0.000 1.151 652 P CA 1.399 64.470 63.100 -0.049 0.000 0.787 652 P CB 0.118 31.785 31.700 -0.054 0.000 0.788 653 Q N 0.128 119.893 119.800 -0.057 0.000 2.008 653 Q HA -0.016 4.326 4.340 0.003 0.000 0.196 653 Q C 2.396 178.366 176.000 -0.050 0.000 0.973 653 Q CA 0.883 56.649 55.803 -0.062 0.000 0.826 653 Q CB -0.508 28.202 28.738 -0.047 0.000 0.894 653 Q HN 0.197 nan 8.270 nan 0.000 0.439 654 L N 0.284 121.489 121.223 -0.029 0.000 2.187 654 L HA -0.164 4.178 4.340 0.003 0.000 0.213 654 L C 2.380 179.230 176.870 -0.033 0.000 1.100 654 L CA 1.323 56.150 54.840 -0.023 0.000 0.765 654 L CB -0.327 41.730 42.059 -0.003 0.000 0.904 654 L HN 0.273 nan 8.230 nan 0.000 0.437 655 T N -1.238 113.294 114.554 -0.037 0.000 3.113 655 T HA 0.113 4.465 4.350 0.003 0.000 0.256 655 T C 1.263 175.917 174.700 -0.076 0.000 1.131 655 T CA 0.841 62.914 62.100 -0.043 0.000 1.074 655 T CB -0.064 68.783 68.868 -0.034 0.000 0.944 655 T HN 0.645 nan 8.240 nan 0.000 0.516 656 G N 0.262 109.007 108.800 -0.092 0.000 2.141 656 G HA2 -0.135 3.827 3.960 0.003 0.000 0.242 656 G HA3 -0.135 3.827 3.960 0.003 0.000 0.242 656 G C 0.454 175.253 174.900 -0.169 0.000 0.982 656 G CA 0.042 45.066 45.100 -0.125 0.000 0.662 656 G HN 0.864 nan 8.290 nan 0.000 0.527 657 G N -1.131 107.571 108.800 -0.164 0.000 2.508 657 G HA2 0.641 4.603 3.960 0.003 0.000 0.278 657 G HA3 0.641 4.603 3.960 0.003 0.000 0.278 657 G C -0.056 174.710 174.900 -0.223 0.000 1.389 657 G CA 0.582 45.556 45.100 -0.210 0.000 1.050 657 G HN 0.741 nan 8.290 nan 0.000 0.522 658 T N -0.200 114.194 114.554 -0.266 0.000 2.876 658 T HA 0.462 4.814 4.350 0.003 0.000 0.289 658 T C -1.145 173.327 174.700 -0.381 0.000 1.014 658 T CA -0.322 61.572 62.100 -0.343 0.000 0.986 658 T CB 1.824 70.447 68.868 -0.408 0.000 1.021 658 T HN 0.451 nan 8.240 nan 0.000 0.458 659 L N 3.327 124.317 121.223 -0.387 0.000 2.319 659 L HA 0.591 4.933 4.340 0.003 0.000 0.281 659 L C -1.882 174.812 176.870 -0.294 0.000 1.005 659 L CA -0.723 53.959 54.840 -0.263 0.000 0.828 659 L CB 0.360 42.364 42.059 -0.092 0.000 1.227 659 L HN 0.624 nan 8.230 nan 0.000 0.415 660 Y N 4.263 124.430 120.300 -0.222 0.000 2.334 660 Y HA 0.517 5.069 4.550 0.003 0.000 0.336 660 Y C 0.100 175.652 175.900 -0.580 0.000 0.960 660 Y CA -0.418 57.508 58.100 -0.290 0.000 1.164 660 Y CB 1.474 39.766 38.460 -0.280 0.000 1.155 660 Y HN 0.490 nan 8.280 nan 0.000 0.478 661 K N 3.234 123.246 120.400 -0.647 0.000 2.244 661 K HA 0.464 4.786 4.320 0.003 0.000 0.260 661 K C -1.860 174.246 176.600 -0.823 0.000 0.951 661 K CA -0.809 55.003 56.287 -0.790 0.000 0.826 661 K CB 0.813 32.671 32.500 -1.070 0.000 1.108 661 K HN 0.576 nan 8.250 nan 0.000 0.433 662 Y N 2.769 122.922 120.300 -0.244 0.000 2.686 662 Y HA 0.255 4.807 4.550 0.003 0.000 0.331 662 Y C -0.120 175.796 175.900 0.027 0.000 0.996 662 Y CA -1.200 56.858 58.100 -0.071 0.000 1.293 662 Y CB 0.643 39.048 38.460 -0.091 0.000 1.092 662 Y HN 0.460 nan 8.280 nan 0.000 0.524 663 N N 4.286 123.054 118.700 0.113 0.000 2.454 663 N HA -0.056 4.686 4.740 0.003 0.000 0.260 663 N C 0.038 175.653 175.510 0.175 0.000 1.218 663 N CA 0.405 53.521 53.050 0.110 0.000 0.904 663 N CB 0.269 38.797 38.487 0.068 0.000 1.065 663 N HN 0.646 nan 8.380 nan 0.000 0.462 664 N N 1.394 120.196 118.700 0.171 0.000 2.686 664 N HA -0.264 4.478 4.740 0.003 0.000 0.261 664 N C -0.414 175.215 175.510 0.199 0.000 1.001 664 N CA 0.514 53.664 53.050 0.166 0.000 0.764 664 N CB -1.195 37.358 38.487 0.110 0.000 0.898 664 N HN 0.473 nan 8.380 nan 0.000 0.544 665 F N 1.250 121.289 119.950 0.149 0.000 2.629 665 F HA -0.052 4.477 4.527 0.003 0.000 0.377 665 F C 0.835 176.692 175.800 0.094 0.000 1.101 665 F CA 0.745 58.840 58.000 0.158 0.000 1.301 665 F CB 0.462 39.619 39.000 0.261 0.000 1.062 665 F HN 0.168 nan 8.300 nan 0.000 0.583 666 Q N 6.322 125.638 119.800 -0.808 0.000 2.269 666 Q HA 0.163 4.505 4.340 0.003 0.000 0.263 666 Q C 0.485 176.000 176.000 -0.809 0.000 0.983 666 Q CA -0.797 54.688 55.803 -0.530 0.000 0.777 666 Q CB 2.063 30.688 28.738 -0.188 0.000 1.273 666 Q HN 0.857 nan 8.270 nan 0.000 0.440 667 M N 2.668 121.962 119.600 -0.511 0.000 2.088 667 M HA -0.232 4.250 4.480 0.003 0.000 0.256 667 M C 1.855 178.084 176.300 -0.117 0.000 1.071 667 M CA 2.230 57.376 55.300 -0.256 0.000 1.097 667 M CB -0.288 32.317 32.600 0.008 0.000 1.315 667 M HN 0.792 nan 8.290 nan 0.000 0.406 668 H N -1.133 117.839 119.070 -0.163 0.000 2.567 668 H HA 0.025 4.583 4.556 0.003 0.000 0.276 668 H C 1.331 176.599 175.328 -0.099 0.000 1.016 668 H CA 1.292 57.279 56.048 -0.101 0.000 1.186 668 H CB -0.564 29.152 29.762 -0.077 0.000 1.351 668 H HN 0.510 nan 8.280 nan 0.000 0.605 669 L N -0.397 120.506 121.223 -0.533 0.000 2.664 669 L HA 0.102 4.444 4.340 0.003 0.000 0.198 669 L C 1.226 177.958 176.870 -0.230 0.000 1.057 669 L CA 0.323 54.909 54.840 -0.423 0.000 0.871 669 L CB 0.276 42.014 42.059 -0.535 0.000 1.364 669 L HN -0.024 nan 8.230 nan 0.000 0.483 670 D N 0.284 120.505 120.400 -0.298 0.000 2.350 670 D HA -0.015 4.628 4.640 0.003 0.000 0.213 670 D C 1.816 178.222 176.300 0.176 0.000 1.031 670 D CA 0.098 54.053 54.000 -0.076 0.000 0.861 670 D CB 0.200 40.951 40.800 -0.082 0.000 0.926 670 D HN 0.151 nan 8.370 nan 0.000 0.520 671 R N 1.119 121.685 120.500 0.110 0.000 2.122 671 R HA -0.272 4.070 4.340 0.003 0.000 0.236 671 R C 2.035 178.459 176.300 0.206 0.000 1.129 671 R CA 1.843 58.111 56.100 0.280 0.000 0.925 671 R CB -0.059 30.329 30.300 0.147 0.000 0.850 671 R HN -0.047 nan 8.270 nan 0.000 0.431 672 Q N 0.514 120.374 119.800 0.100 0.000 2.181 672 Q HA -0.216 4.126 4.340 0.003 0.000 0.205 672 Q C 1.999 178.047 176.000 0.080 0.000 0.980 672 Q CA 2.059 57.900 55.803 0.063 0.000 0.862 672 Q CB -0.186 28.572 28.738 0.033 0.000 0.905 672 Q HN 0.507 nan 8.270 nan 0.000 0.429 673 Q N -1.305 118.571 119.800 0.127 0.000 2.020 673 Q HA -0.178 4.164 4.340 0.003 0.000 0.202 673 Q C 1.904 178.023 176.000 0.199 0.000 0.982 673 Q CA 1.638 57.549 55.803 0.181 0.000 0.838 673 Q CB -0.315 28.568 28.738 0.243 0.000 0.899 673 Q HN 0.510 nan 8.270 nan 0.000 0.423 674 F N 1.052 120.967 119.950 -0.058 0.000 2.113 674 F HA -0.149 4.380 4.527 0.004 0.000 0.297 674 F C 1.752 177.530 175.800 -0.036 0.000 1.103 674 F CA 1.287 59.151 58.000 -0.227 0.000 1.248 674 F CB -0.407 38.318 39.000 -0.459 0.000 0.999 674 F HN 0.051 nan 8.300 nan 0.000 0.475 675 L N 0.332 121.319 121.223 -0.393 0.000 2.131 675 L HA -0.236 4.106 4.340 0.003 0.000 0.210 675 L C 2.151 178.850 176.870 -0.285 0.000 1.092 675 L CA 1.147 55.700 54.840 -0.478 0.000 0.759 675 L CB -0.942 41.000 42.059 -0.195 0.000 0.903 675 L HN 0.211 nan 8.230 nan 0.000 0.435 676 N N -0.058 118.569 118.700 -0.122 0.000 2.188 676 N HA -0.154 4.588 4.740 0.003 0.000 0.184 676 N C 1.472 176.966 175.510 -0.026 0.000 1.018 676 N CA 1.131 54.157 53.050 -0.039 0.000 0.858 676 N CB -0.212 38.295 38.487 0.034 0.000 0.989 676 N HN 0.290 nan 8.380 nan 0.000 0.426 677 D N 0.575 120.969 120.400 -0.010 0.000 2.097 677 D HA -0.104 4.538 4.640 0.003 0.000 0.197 677 D C 2.042 178.296 176.300 -0.077 0.000 0.984 677 D CA 0.429 54.438 54.000 0.014 0.000 0.826 677 D CB -0.258 40.620 40.800 0.130 0.000 0.973 677 D HN 0.103 nan 8.370 nan 0.000 0.460 678 L N 1.309 122.376 121.223 -0.260 0.000 1.994 678 L HA -0.132 4.210 4.340 0.003 0.000 0.208 678 L C 2.307 179.141 176.870 -0.061 0.000 1.071 678 L CA 1.651 56.334 54.840 -0.261 0.000 0.745 678 L CB -0.376 41.269 42.059 -0.690 0.000 0.892 678 L HN -0.151 nan 8.230 nan 0.000 0.431 679 R N -0.472 119.962 120.500 -0.110 0.000 2.097 679 R HA -0.242 4.100 4.340 0.003 0.000 0.236 679 R C 2.222 178.545 176.300 0.040 0.000 1.135 679 R CA 1.977 58.057 56.100 -0.034 0.000 0.934 679 R CB -0.791 29.480 30.300 -0.049 0.000 0.846 679 R HN 0.464 nan 8.270 nan 0.000 0.431 680 N N 0.357 119.078 118.700 0.035 0.000 2.060 680 N HA -0.234 4.508 4.740 0.003 0.000 0.195 680 N C 1.397 176.972 175.510 0.109 0.000 1.028 680 N CA 2.100 55.189 53.050 0.064 0.000 0.861 680 N CB -0.241 38.282 38.487 0.059 0.000 1.029 680 N HN 0.184 nan 8.380 nan 0.000 0.428 681 D N -1.004 119.489 120.400 0.154 0.000 2.219 681 D HA -0.009 4.633 4.640 0.003 0.000 0.205 681 D C 1.810 178.291 176.300 0.301 0.000 0.970 681 D CA 0.708 54.844 54.000 0.227 0.000 0.851 681 D CB 0.069 41.068 40.800 0.330 0.000 0.943 681 D HN 0.377 nan 8.370 nan 0.000 0.488 682 I N 0.369 121.136 120.570 0.328 0.000 2.333 682 I HA -0.111 4.061 4.170 0.003 0.000 0.246 682 I C 1.623 177.943 176.117 0.338 0.000 1.106 682 I CA 0.872 62.413 61.300 0.403 0.000 1.411 682 I CB -0.139 38.027 38.000 0.277 0.000 1.082 682 I HN 0.027 nan 8.210 nan 0.000 0.420 683 E N 0.911 121.236 120.200 0.209 0.000 2.511 683 E HA -0.005 4.347 4.350 0.003 0.000 0.196 683 E C 0.293 176.980 176.600 0.145 0.000 1.066 683 E CA 0.050 56.547 56.400 0.162 0.000 0.871 683 E CB 0.030 29.791 29.700 0.103 0.000 0.863 683 E HN 0.365 nan 8.360 nan 0.000 0.520 684 K N 2.138 122.625 120.400 0.146 0.000 2.489 684 K HA 0.024 4.346 4.320 0.003 0.000 0.278 684 K C 0.092 176.747 176.600 0.090 0.000 1.000 684 K CA 0.217 56.556 56.287 0.088 0.000 1.012 684 K CB 0.506 33.031 32.500 0.043 0.000 0.903 684 K HN -0.145 nan 8.250 nan 0.000 0.485 685 K N 4.669 125.106 120.400 0.061 0.000 2.378 685 K HA 0.164 4.486 4.320 0.003 0.000 0.288 685 K C 0.304 176.888 176.600 -0.026 0.000 1.057 685 K CA 0.102 56.429 56.287 0.067 0.000 0.971 685 K CB -0.109 32.447 32.500 0.093 0.000 0.975 685 K HN 0.544 nan 8.250 nan 0.000 0.475 686 I N -1.650 118.897 120.570 -0.039 0.000 2.730 686 I HA 0.646 4.818 4.170 0.003 0.000 0.298 686 I C -0.010 175.946 176.117 -0.269 0.000 1.089 686 I CA -1.185 59.961 61.300 -0.256 0.000 1.041 686 I CB 2.456 40.263 38.000 -0.323 0.000 1.235 686 I HN 0.405 nan 8.210 nan 0.000 0.423 687 G N 3.227 111.695 108.800 -0.553 0.000 2.454 687 G HA2 0.767 4.729 3.960 0.003 0.000 0.329 687 G HA3 0.767 4.729 3.960 0.003 0.000 0.329 687 G C -1.706 173.000 174.900 -0.323 0.000 1.177 687 G CA -0.572 44.354 45.100 -0.290 0.000 0.951 687 G HN 0.507 nan 8.290 nan 0.000 0.485 688 F N -0.891 119.128 119.950 0.116 0.000 2.593 688 F HA 0.386 4.915 4.527 0.003 0.000 0.320 688 F C 0.400 176.254 175.800 0.091 0.000 1.060 688 F CA -0.330 57.713 58.000 0.070 0.000 0.940 688 F CB 2.327 41.377 39.000 0.084 0.000 1.268 688 F HN 0.591 nan 8.300 nan 0.000 0.475 689 D N 1.353 121.928 120.400 0.292 0.000 2.697 689 D HA -0.166 4.476 4.640 0.003 0.000 0.235 689 D C -0.743 175.645 176.300 0.146 0.000 1.167 689 D CA 0.779 54.885 54.000 0.177 0.000 0.656 689 D CB -0.613 40.285 40.800 0.163 0.000 1.025 689 D HN 0.767 nan 8.370 nan 0.000 0.419 690 A N 0.875 123.764 122.820 0.115 0.000 2.269 690 A HA 0.790 5.112 4.320 0.003 0.000 0.319 690 A C 0.286 177.910 177.584 0.067 0.000 1.110 690 A CA -0.444 51.668 52.037 0.124 0.000 0.847 690 A CB 1.014 20.076 19.000 0.103 0.000 1.161 690 A HN 0.813 nan 8.150 nan 0.000 0.497 691 I N 0.622 121.242 120.570 0.083 0.000 2.548 691 I HA 0.575 4.747 4.170 0.003 0.000 0.287 691 I C -0.892 175.257 176.117 0.053 0.000 1.103 691 I CA -0.694 60.629 61.300 0.039 0.000 1.049 691 I CB 1.512 39.531 38.000 0.032 0.000 1.232 691 I HN 0.836 nan 8.210 nan 0.000 0.429 692 M N 7.392 127.000 119.600 0.014 0.000 2.264 692 M HA 0.571 5.053 4.480 0.003 0.000 0.352 692 M C -1.021 175.278 176.300 -0.002 0.000 1.173 692 M CA -0.365 54.954 55.300 0.032 0.000 1.075 692 M CB 1.194 33.819 32.600 0.042 0.000 1.621 692 M HN 0.813 nan 8.290 nan 0.000 0.457 693 R N 3.567 124.099 120.500 0.054 0.000 2.575 693 R HA 0.603 4.945 4.340 0.003 0.000 0.293 693 R C -2.214 174.156 176.300 0.117 0.000 0.983 693 R CA -0.586 55.548 56.100 0.056 0.000 0.887 693 R CB 2.034 32.375 30.300 0.068 0.000 1.184 693 R HN 0.618 nan 8.270 nan 0.000 0.445 694 V N 5.918 125.935 119.914 0.171 0.000 2.257 694 V HA 0.430 4.552 4.120 0.003 0.000 0.269 694 V C 0.146 176.344 176.094 0.174 0.000 1.040 694 V CA -0.639 61.797 62.300 0.226 0.000 0.813 694 V CB 0.680 32.714 31.823 0.351 0.000 1.065 694 V HN 0.698 nan 8.190 nan 0.000 0.457 695 R N 2.420 122.959 120.500 0.066 0.000 2.490 695 R HA 0.647 4.989 4.340 0.003 0.000 0.278 695 R C 0.482 176.753 176.300 -0.049 0.000 1.069 695 R CA -0.162 55.907 56.100 -0.052 0.000 1.080 695 R CB 1.452 31.621 30.300 -0.219 0.000 1.030 695 R HN 0.761 nan 8.270 nan 0.000 0.491 696 T N -2.251 112.239 114.554 -0.107 0.000 2.831 696 T HA 0.420 4.773 4.350 0.003 0.000 0.287 696 T C 0.175 174.914 174.700 0.066 0.000 1.070 696 T CA -0.950 61.051 62.100 -0.165 0.000 1.010 696 T CB 1.465 69.734 68.868 -0.999 0.000 1.264 696 T HN 0.560 nan 8.240 nan 0.000 0.532 697 S N 0.027 115.771 115.700 0.074 0.000 2.681 697 S HA 0.461 4.933 4.470 0.003 0.000 0.270 697 S C 0.148 174.788 174.600 0.067 0.000 1.209 697 S CA -0.708 57.584 58.200 0.154 0.000 0.988 697 S CB -0.119 63.107 63.200 0.043 0.000 1.006 697 S HN 0.862 nan 8.310 nan 0.000 0.558 698 T N 1.427 116.041 114.554 0.099 0.000 2.871 698 T HA 0.467 4.819 4.350 0.003 0.000 0.296 698 T C 1.405 176.215 174.700 0.183 0.000 0.998 698 T CA 0.839 62.999 62.100 0.101 0.000 1.162 698 T CB -0.124 68.792 68.868 0.081 0.000 0.947 698 T HN 1.392 nan 8.240 nan 0.000 0.536 699 G N 2.812 111.727 108.800 0.191 0.000 2.699 699 G HA2 -0.086 3.876 3.960 0.003 0.000 0.198 699 G HA3 -0.086 3.876 3.960 0.003 0.000 0.198 699 G C -0.102 175.029 174.900 0.386 0.000 1.033 699 G CA -0.081 45.197 45.100 0.296 0.000 0.728 699 G HN 0.848 nan 8.290 nan 0.000 0.484 700 F N 0.396 120.372 119.950 0.044 0.000 2.726 700 F HA 0.949 5.478 4.527 0.003 0.000 0.324 700 F C -0.335 175.514 175.800 0.082 0.000 1.140 700 F CA -1.034 56.978 58.000 0.019 0.000 0.964 700 F CB 1.233 40.187 39.000 -0.077 0.000 1.399 700 F HN 0.515 nan 8.300 nan 0.000 0.491 701 R N 0.902 121.391 120.500 -0.019 0.000 2.712 701 R HA 0.743 5.085 4.340 0.003 0.000 0.272 701 R C -1.978 174.454 176.300 0.221 0.000 1.032 701 R CA -1.039 55.037 56.100 -0.040 0.000 0.874 701 R CB 1.308 31.599 30.300 -0.014 0.000 1.256 701 R HN 1.106 nan 8.270 nan 0.000 0.468 702 A N 0.699 123.641 122.820 0.204 0.000 2.451 702 A HA 0.313 4.635 4.320 0.003 0.000 0.266 702 A C 0.886 178.422 177.584 -0.081 0.000 1.119 702 A CA 0.393 52.415 52.037 -0.024 0.000 0.786 702 A CB 0.104 19.138 19.000 0.057 0.000 1.061 702 A HN 0.859 nan 8.150 nan 0.000 0.503 703 T N -1.371 113.040 114.554 -0.238 0.000 3.043 703 T HA 0.284 4.636 4.350 0.003 0.000 0.272 703 T C -0.090 174.488 174.700 -0.202 0.000 0.990 703 T CA 0.357 62.386 62.100 -0.118 0.000 0.897 703 T CB 0.142 68.986 68.868 -0.041 0.000 1.111 703 T HN 0.575 nan 8.240 nan 0.000 0.529 704 D N -0.366 119.706 120.400 -0.548 0.000 2.717 704 D HA 0.505 5.147 4.640 0.003 0.000 0.223 704 D C -1.894 173.846 176.300 -0.933 0.000 1.240 704 D CA -0.486 53.224 54.000 -0.483 0.000 0.801 704 D CB 2.050 42.736 40.800 -0.191 0.000 1.556 704 D HN 0.156 nan 8.370 nan 0.000 0.462 705 F N 1.315 121.014 119.950 -0.417 0.000 2.588 705 F HA 0.632 5.161 4.527 0.003 0.000 0.310 705 F C -0.560 174.893 175.800 -0.579 0.000 1.082 705 F CA -0.802 57.030 58.000 -0.279 0.000 0.929 705 F CB 1.725 40.630 39.000 -0.158 0.000 1.254 705 F HN 0.066 nan 8.300 nan 0.000 0.455 706 F N 1.017 121.031 119.950 0.106 0.000 2.557 706 F HA 0.815 5.344 4.527 0.003 0.000 0.316 706 F C 0.175 175.995 175.800 0.032 0.000 1.141 706 F CA -1.203 56.818 58.000 0.034 0.000 0.922 706 F CB 1.984 40.957 39.000 -0.046 0.000 1.194 706 F HN 0.703 nan 8.300 nan 0.000 0.443 707 G N 0.508 109.404 108.800 0.160 0.000 2.321 707 G HA2 0.408 4.370 3.960 0.003 0.000 0.298 707 G HA3 0.408 4.370 3.960 0.003 0.000 0.298 707 G C -0.757 174.159 174.900 0.027 0.000 1.385 707 G CA -0.373 44.776 45.100 0.082 0.000 0.856 707 G HN 0.884 nan 8.290 nan 0.000 0.584 708 G N 0.398 109.192 108.800 -0.011 0.000 2.852 708 G HA2 0.564 4.526 3.960 0.003 0.000 0.280 708 G HA3 0.564 4.526 3.960 0.003 0.000 0.280 708 G C 0.399 175.274 174.900 -0.042 0.000 0.731 708 G CA 0.887 45.963 45.100 -0.040 0.000 2.037 708 G HN 1.417 nan 8.290 nan 0.000 0.560 709 I N -1.473 119.079 120.570 -0.030 0.000 3.191 709 I HA 0.833 5.005 4.170 0.003 0.000 0.313 709 I C -1.837 174.253 176.117 -0.046 0.000 1.193 709 I CA -1.731 59.543 61.300 -0.044 0.000 0.968 709 I CB 2.387 40.361 38.000 -0.044 0.000 1.262 709 I HN 0.056 nan 8.210 nan 0.000 0.456 710 L N 2.889 124.076 121.223 -0.060 0.000 2.408 710 L HA 0.710 5.052 4.340 0.003 0.000 0.268 710 L C -1.368 175.453 176.870 -0.083 0.000 0.986 710 L CA -0.423 54.383 54.840 -0.056 0.000 0.820 710 L CB 2.047 44.082 42.059 -0.041 0.000 1.303 710 L HN 0.705 nan 8.230 nan 0.000 0.411 711 M N 4.484 124.035 119.600 -0.080 0.000 2.213 711 M HA 0.414 4.896 4.480 0.003 0.000 0.286 711 M C -0.057 176.201 176.300 -0.070 0.000 1.008 711 M CA -0.507 54.731 55.300 -0.103 0.000 0.937 711 M CB 2.033 34.547 32.600 -0.144 0.000 1.600 711 M HN 0.533 nan 8.290 nan 0.000 0.450 712 N N 1.316 119.976 118.700 -0.066 0.000 2.415 712 N HA 0.063 4.805 4.740 0.003 0.000 0.174 712 N C -0.169 175.316 175.510 -0.043 0.000 1.048 712 N CA 0.471 53.493 53.050 -0.047 0.000 0.895 712 N CB 0.424 38.885 38.487 -0.043 0.000 1.036 712 N HN 0.751 nan 8.380 nan 0.000 0.449 713 N N -0.419 118.248 118.700 -0.054 0.000 3.061 713 N HA 0.165 4.907 4.740 0.003 0.000 0.346 713 N C 0.002 175.485 175.510 -0.045 0.000 1.392 713 N CA -0.345 52.680 53.050 -0.042 0.000 0.762 713 N CB 0.677 39.140 38.487 -0.040 0.000 1.367 713 N HN -0.191 nan 8.380 nan 0.000 0.607 714 T N -4.266 110.275 114.554 -0.022 0.000 3.214 714 T HA 0.174 4.526 4.350 0.003 0.000 0.264 714 T C 0.862 175.581 174.700 0.031 0.000 1.012 714 T CA 0.347 62.455 62.100 0.014 0.000 0.901 714 T CB -0.721 68.171 68.868 0.040 0.000 1.070 714 T HN 0.753 nan 8.240 nan 0.000 0.561 715 T N -3.132 111.393 114.554 -0.049 0.000 3.051 715 T HA 0.234 4.586 4.350 0.003 0.000 0.254 715 T C -0.399 174.196 174.700 -0.175 0.000 0.916 715 T CA -0.215 61.854 62.100 -0.051 0.000 0.894 715 T CB 0.283 69.146 68.868 -0.008 0.000 1.251 715 T HN 0.160 nan 8.240 nan 0.000 0.517 716 D N 2.254 122.540 120.400 -0.190 0.000 2.329 716 D HA 0.487 5.129 4.640 0.003 0.000 0.232 716 D C -0.753 175.378 176.300 -0.282 0.000 1.088 716 D CA -0.277 53.606 54.000 -0.195 0.000 0.835 716 D CB 2.204 42.943 40.800 -0.100 0.000 1.078 716 D HN 0.133 nan 8.370 nan 0.000 0.495 717 V N 3.762 123.476 119.914 -0.333 0.000 2.353 717 V HA 0.074 4.196 4.120 0.003 0.000 0.264 717 V C 0.539 176.542 176.094 -0.151 0.000 1.049 717 V CA -0.519 61.590 62.300 -0.318 0.000 0.896 717 V CB 0.311 31.916 31.823 -0.363 0.000 1.025 717 V HN 0.313 nan 8.190 nan 0.000 0.475 718 E N 6.447 126.575 120.200 -0.120 0.000 2.200 718 E HA 0.520 4.872 4.350 0.003 0.000 0.283 718 E C -0.792 175.773 176.600 -0.058 0.000 1.015 718 E CA -0.325 56.034 56.400 -0.068 0.000 0.819 718 E CB 1.426 31.091 29.700 -0.059 0.000 1.081 718 E HN 0.572 nan 8.360 nan 0.000 0.397 719 M N 2.224 121.798 119.600 -0.045 0.000 2.022 719 M HA 0.288 4.770 4.480 0.003 0.000 0.298 719 M C 0.663 176.934 176.300 -0.049 0.000 0.909 719 M CA -0.513 54.751 55.300 -0.061 0.000 0.914 719 M CB 1.797 34.347 32.600 -0.083 0.000 1.486 719 M HN 0.687 nan 8.290 nan 0.000 0.415 720 A N 2.747 125.547 122.820 -0.034 0.000 1.927 720 A HA 0.131 4.454 4.320 0.003 0.000 0.220 720 A C 1.020 178.601 177.584 -0.006 0.000 1.185 720 A CA 2.107 54.153 52.037 0.015 0.000 0.639 720 A CB -0.094 18.918 19.000 0.020 0.000 0.820 720 A HN 0.849 nan 8.150 nan 0.000 0.451 721 A N -1.679 121.054 122.820 -0.144 0.000 2.486 721 A HA 0.697 5.019 4.320 0.003 0.000 0.300 721 A C -0.833 176.535 177.584 -0.361 0.000 1.048 721 A CA -0.307 51.511 52.037 -0.366 0.000 0.696 721 A CB 1.022 19.736 19.000 -0.478 0.000 1.278 721 A HN 0.730 nan 8.150 nan 0.000 0.405 722 I N 1.825 122.107 120.570 -0.479 0.000 2.647 722 I HA 0.602 4.774 4.170 0.003 0.000 0.295 722 I C -1.354 174.437 176.117 -0.544 0.000 1.078 722 I CA -0.550 60.482 61.300 -0.445 0.000 1.048 722 I CB 2.164 39.892 38.000 -0.452 0.000 1.239 722 I HN 0.942 nan 8.210 nan 0.000 0.421 723 D N 3.894 124.074 120.400 -0.366 0.000 2.687 723 D HA 0.245 4.887 4.640 0.003 0.000 0.264 723 D C 0.865 177.091 176.300 -0.123 0.000 1.091 723 D CA -0.501 53.328 54.000 -0.285 0.000 1.123 723 D CB 1.136 41.811 40.800 -0.209 0.000 1.407 723 D HN 0.620 nan 8.370 nan 0.000 0.591 724 C N -1.672 117.610 119.300 -0.031 0.000 2.437 724 C HA 0.063 4.525 4.460 0.003 0.000 0.283 724 C C 1.205 176.212 174.990 0.028 0.000 1.424 724 C CA 0.325 59.385 59.018 0.069 0.000 1.782 724 C CB -0.847 26.936 27.740 0.072 0.000 1.833 724 C HN 0.425 nan 8.230 nan 0.000 0.532 725 D N 0.570 120.951 120.400 -0.031 0.000 2.277 725 D HA 0.045 4.687 4.640 0.003 0.000 0.209 725 D C 0.657 176.931 176.300 -0.044 0.000 0.970 725 D CA 0.788 54.758 54.000 -0.050 0.000 0.874 725 D CB -0.205 40.530 40.800 -0.109 0.000 0.982 725 D HN 0.464 nan 8.370 nan 0.000 0.504 726 K N 1.399 121.766 120.400 -0.056 0.000 2.451 726 K HA 0.390 4.712 4.320 0.003 0.000 0.280 726 K C -0.080 176.524 176.600 0.007 0.000 1.020 726 K CA 0.040 56.299 56.287 -0.047 0.000 1.008 726 K CB 1.042 33.494 32.500 -0.081 0.000 0.917 726 K HN -0.056 nan 8.250 nan 0.000 0.478 727 A N 2.880 125.706 122.820 0.010 0.000 2.343 727 A HA 0.482 4.804 4.320 0.003 0.000 0.308 727 A C -0.674 176.942 177.584 0.054 0.000 1.092 727 A CA -0.799 51.264 52.037 0.043 0.000 0.751 727 A CB 1.164 20.183 19.000 0.032 0.000 1.203 727 A HN 0.344 nan 8.150 nan 0.000 0.452 728 V N 2.154 122.122 119.914 0.089 0.000 2.439 728 V HA 0.495 4.617 4.120 0.003 0.000 0.282 728 V C 0.276 176.455 176.094 0.142 0.000 1.039 728 V CA -0.195 62.180 62.300 0.125 0.000 0.913 728 V CB 1.703 33.617 31.823 0.151 0.000 0.983 728 V HN 0.905 nan 8.190 nan 0.000 0.460 729 T N 4.511 119.168 114.554 0.171 0.000 2.758 729 T HA 0.517 4.869 4.350 0.003 0.000 0.285 729 T C -0.335 174.473 174.700 0.180 0.000 0.981 729 T CA -0.324 61.860 62.100 0.140 0.000 0.965 729 T CB 1.315 70.222 68.868 0.065 0.000 0.927 729 T HN 0.358 nan 8.240 nan 0.000 0.448 730 V N 3.740 123.640 119.914 -0.023 0.000 2.357 730 V HA 0.368 4.490 4.120 0.003 0.000 0.284 730 V C 0.293 176.017 176.094 -0.617 0.000 1.018 730 V CA -0.908 61.168 62.300 -0.374 0.000 0.841 730 V CB 1.349 32.887 31.823 -0.475 0.000 0.991 730 V HN 0.868 nan 8.190 nan 0.000 0.437 731 E N 4.323 124.239 120.200 -0.474 0.000 2.227 731 E HA 0.516 4.868 4.350 0.003 0.000 0.282 731 E C -1.368 174.894 176.600 -0.563 0.000 1.015 731 E CA -0.434 55.729 56.400 -0.396 0.000 0.823 731 E CB 0.843 30.576 29.700 0.055 0.000 1.081 731 E HN 0.506 nan 8.360 nan 0.000 0.396 732 F N 2.856 122.738 119.950 -0.114 0.000 2.497 732 F HA 0.560 5.089 4.527 0.003 0.000 0.331 732 F C 0.506 176.252 175.800 -0.091 0.000 1.060 732 F CA -0.885 57.102 58.000 -0.022 0.000 0.989 732 F CB 1.392 40.531 39.000 0.232 0.000 1.245 732 F HN 0.172 nan 8.300 nan 0.000 0.486 733 K N -0.320 120.186 120.400 0.176 0.000 2.512 733 K HA 0.318 4.640 4.320 0.003 0.000 0.263 733 K C -1.583 175.067 176.600 0.084 0.000 0.966 733 K CA -1.035 55.290 56.287 0.063 0.000 0.851 733 K CB 1.920 34.458 32.500 0.062 0.000 1.395 733 K HN 0.651 nan 8.250 nan 0.000 0.440 734 H N 0.796 119.933 119.070 0.110 0.000 2.764 734 H HA 0.017 4.575 4.556 0.004 0.000 0.341 734 H C 0.532 175.929 175.328 0.115 0.000 1.072 734 H CA 0.696 56.822 56.048 0.130 0.000 1.444 734 H CB 0.946 30.746 29.762 0.063 0.000 1.458 734 H HN 0.528 nan 8.280 nan 0.000 0.572 735 D N 0.796 121.347 120.400 0.252 0.000 2.431 735 D HA -0.010 4.633 4.640 0.003 0.000 0.227 735 D C 0.319 176.706 176.300 0.144 0.000 1.030 735 D CA 0.723 54.819 54.000 0.160 0.000 0.897 735 D CB 0.917 41.793 40.800 0.126 0.000 1.058 735 D HN 0.629 nan 8.370 nan 0.000 0.500 736 D N -1.084 119.425 120.400 0.183 0.000 3.966 736 D HA 0.204 4.846 4.640 0.003 0.000 0.310 736 D C -1.058 175.333 176.300 0.150 0.000 1.536 736 D CA -0.260 53.819 54.000 0.130 0.000 0.980 736 D CB 0.784 41.649 40.800 0.108 0.000 1.397 736 D HN -0.205 nan 8.370 nan 0.000 0.643 737 K N 0.645 121.113 120.400 0.113 0.000 2.259 737 K HA 0.585 4.907 4.320 0.003 0.000 0.252 737 K C -0.651 176.019 176.600 0.116 0.000 0.936 737 K CA -0.590 55.750 56.287 0.088 0.000 0.810 737 K CB 2.380 34.897 32.500 0.028 0.000 1.143 737 K HN 0.235 nan 8.250 nan 0.000 0.427 738 L N 1.241 122.536 121.223 0.120 0.000 2.344 738 L HA 0.355 4.697 4.340 0.003 0.000 0.272 738 L C 0.240 177.134 176.870 0.040 0.000 1.035 738 L CA -0.714 54.182 54.840 0.094 0.000 0.807 738 L CB 1.802 43.917 42.059 0.094 0.000 1.237 738 L HN 0.668 nan 8.230 nan 0.000 0.442 739 S N -0.672 115.039 115.700 0.018 0.000 2.457 739 S HA 0.170 4.642 4.470 0.003 0.000 0.289 739 S C 0.522 175.114 174.600 -0.013 0.000 1.163 739 S CA -0.714 57.487 58.200 0.002 0.000 1.078 739 S CB 1.382 64.581 63.200 -0.001 0.000 0.987 739 S HN 0.750 nan 8.310 nan 0.000 0.482 740 E N 1.358 121.553 120.200 -0.007 0.000 2.463 740 E HA -0.192 4.161 4.350 0.003 0.000 0.201 740 E C 0.897 177.487 176.600 -0.016 0.000 1.045 740 E CA 0.852 57.246 56.400 -0.010 0.000 0.872 740 E CB 0.128 29.828 29.700 -0.001 0.000 0.797 740 E HN 0.809 nan 8.360 nan 0.000 0.538 741 D N -1.092 119.298 120.400 -0.017 0.000 2.290 741 D HA 0.023 4.665 4.640 0.003 0.000 0.224 741 D C 1.564 177.843 176.300 -0.034 0.000 0.967 741 D CA 0.668 54.657 54.000 -0.018 0.000 0.893 741 D CB 0.268 41.062 40.800 -0.010 0.000 1.037 741 D HN 0.051 nan 8.370 nan 0.000 0.477 742 S N -0.195 115.478 115.700 -0.045 0.000 2.458 742 S HA 0.306 4.778 4.470 0.003 0.000 0.223 742 S C 1.244 175.772 174.600 -0.120 0.000 1.019 742 S CA 0.602 58.756 58.200 -0.077 0.000 0.937 742 S CB 0.648 63.806 63.200 -0.071 0.000 0.788 742 S HN 0.632 nan 8.310 nan 0.000 0.511 743 G N 1.366 110.101 108.800 -0.107 0.000 2.562 743 G HA2 0.039 4.001 3.960 0.003 0.000 0.250 743 G HA3 0.039 4.001 3.960 0.003 0.000 0.250 743 G C -0.325 174.442 174.900 -0.221 0.000 1.269 743 G CA -0.463 44.541 45.100 -0.161 0.000 0.919 743 G HN 1.097 nan 8.290 nan 0.000 0.574 744 A N -0.655 121.949 122.820 -0.361 0.000 2.332 744 A HA 0.759 5.081 4.320 0.003 0.000 0.300 744 A C 0.000 177.374 177.584 -0.351 0.000 1.153 744 A CA -0.430 51.343 52.037 -0.439 0.000 0.764 744 A CB 0.822 19.128 19.000 -1.158 0.000 1.174 744 A HN 1.121 nan 8.150 nan 0.000 0.467 745 L N 2.317 123.433 121.223 -0.178 0.000 2.375 745 L HA 0.668 5.010 4.340 0.003 0.000 0.268 745 L C -0.466 176.452 176.870 0.080 0.000 1.058 745 L CA -0.606 54.051 54.840 -0.304 0.000 0.803 745 L CB 1.439 43.013 42.059 -0.809 0.000 1.212 745 L HN 0.569 nan 8.230 nan 0.000 0.451 746 I N 1.571 122.242 120.570 0.167 0.000 2.607 746 I HA 0.274 4.446 4.170 0.003 0.000 0.290 746 I C -0.848 175.514 176.117 0.409 0.000 1.129 746 I CA -0.357 61.103 61.300 0.268 0.000 1.042 746 I CB 2.421 40.515 38.000 0.156 0.000 1.242 746 I HN 0.598 nan 8.210 nan 0.000 0.421 747 Q N 5.818 125.815 119.800 0.329 0.000 2.397 747 Q HA 0.329 4.671 4.340 0.003 0.000 0.260 747 Q C -1.395 174.701 176.000 0.160 0.000 1.002 747 Q CA -0.430 55.525 55.803 0.252 0.000 0.716 747 Q CB 2.124 30.945 28.738 0.139 0.000 1.258 747 Q HN 0.825 nan 8.270 nan 0.000 0.477 748 C N 3.040 122.441 119.300 0.168 0.000 2.463 748 C HA 0.913 5.375 4.460 0.003 0.000 0.380 748 C C -0.241 174.768 174.990 0.032 0.000 1.264 748 C CA 0.072 59.176 59.018 0.142 0.000 2.161 748 C CB -0.072 27.784 27.740 0.193 0.000 2.515 748 C HN 0.833 nan 8.230 nan 0.000 0.565 749 A N 5.181 128.024 122.820 0.039 0.000 2.429 749 A HA 0.666 4.988 4.320 0.003 0.000 0.289 749 A C -1.292 176.299 177.584 0.012 0.000 1.043 749 A CA -0.341 51.670 52.037 -0.044 0.000 0.722 749 A CB 1.275 20.316 19.000 0.069 0.000 1.243 749 A HN 0.947 nan 8.150 nan 0.000 0.415 750 V N 3.432 123.337 119.914 -0.016 0.000 2.378 750 V HA 0.444 4.566 4.120 0.003 0.000 0.288 750 V C -0.457 175.772 176.094 0.226 0.000 1.016 750 V CA -0.492 61.878 62.300 0.117 0.000 0.840 750 V CB 1.217 33.146 31.823 0.176 0.000 0.994 750 V HN 0.846 nan 8.190 nan 0.000 0.431 751 L N 7.821 129.172 121.223 0.213 0.000 2.292 751 L HA 0.760 5.102 4.340 0.003 0.000 0.284 751 L C -0.633 176.433 176.870 0.327 0.000 1.065 751 L CA 0.208 55.171 54.840 0.205 0.000 0.806 751 L CB 0.681 42.839 42.059 0.165 0.000 1.175 751 L HN 0.707 nan 8.230 nan 0.000 0.431 752 Y N 0.435 120.780 120.300 0.075 0.000 2.764 752 Y HA 0.736 5.288 4.550 0.003 0.000 0.331 752 Y C -1.106 174.850 175.900 0.094 0.000 1.280 752 Y CA -1.149 57.001 58.100 0.083 0.000 1.065 752 Y CB 1.044 39.547 38.460 0.072 0.000 1.319 752 Y HN 0.401 nan 8.280 nan 0.000 0.453 753 T N 1.838 116.489 114.554 0.163 0.000 2.807 753 T HA 0.477 4.829 4.350 0.003 0.000 0.279 753 T C -0.290 174.553 174.700 0.239 0.000 0.993 753 T CA -0.511 61.637 62.100 0.081 0.000 0.970 753 T CB 1.236 70.180 68.868 0.127 0.000 0.950 753 T HN 0.872 nan 8.240 nan 0.000 0.441 754 T N -0.046 114.581 114.554 0.122 0.000 2.874 754 T HA 0.379 4.731 4.350 0.003 0.000 0.281 754 T C 1.849 176.680 174.700 0.219 0.000 0.994 754 T CA -0.937 61.304 62.100 0.235 0.000 1.015 754 T CB 0.262 69.215 68.868 0.141 0.000 1.028 754 T HN 0.631 nan 8.240 nan 0.000 0.523 755 I N -0.623 120.095 120.570 0.247 0.000 3.010 755 I HA -0.037 4.135 4.170 0.003 0.000 0.271 755 I C 1.824 177.984 176.117 0.072 0.000 1.293 755 I CA 1.216 62.622 61.300 0.178 0.000 1.452 755 I CB -0.708 37.405 38.000 0.188 0.000 1.082 755 I HN 0.659 nan 8.210 nan 0.000 0.484 756 S N 0.269 116.011 115.700 0.070 0.000 2.535 756 S HA 0.412 4.884 4.470 0.003 0.000 0.214 756 S C 1.510 176.121 174.600 0.019 0.000 0.980 756 S CA 0.245 58.466 58.200 0.034 0.000 0.907 756 S CB 0.354 63.576 63.200 0.038 0.000 0.790 756 S HN 0.815 nan 8.310 nan 0.000 0.510 757 G N 0.798 109.614 108.800 0.025 0.000 2.131 757 G HA2 -0.177 3.785 3.960 0.003 0.000 0.201 757 G HA3 -0.177 3.785 3.960 0.003 0.000 0.201 757 G C -0.384 174.518 174.900 0.003 0.000 1.000 757 G CA -0.242 44.864 45.100 0.010 0.000 0.680 757 G HN 0.593 nan 8.290 nan 0.000 0.514 758 Q N -0.760 119.037 119.800 -0.005 0.000 2.245 758 Q HA 0.646 4.988 4.340 0.003 0.000 0.256 758 Q C 0.157 176.100 176.000 -0.095 0.000 0.942 758 Q CA -1.030 54.751 55.803 -0.037 0.000 0.896 758 Q CB 1.527 30.243 28.738 -0.036 0.000 1.272 758 Q HN 0.147 nan 8.270 nan 0.000 0.442 759 R N 2.048 122.493 120.500 -0.093 0.000 2.234 759 R HA 0.285 4.627 4.340 0.003 0.000 0.324 759 R C -0.990 175.170 176.300 -0.234 0.000 1.054 759 R CA 0.222 56.240 56.100 -0.136 0.000 0.912 759 R CB 0.391 30.668 30.300 -0.039 0.000 1.030 759 R HN 0.546 nan 8.270 nan 0.000 0.455 760 R N 3.197 123.436 120.500 -0.435 0.000 2.867 760 R HA 0.583 4.925 4.340 0.003 0.000 0.268 760 R C -1.233 174.832 176.300 -0.391 0.000 1.014 760 R CA -0.779 55.050 56.100 -0.452 0.000 0.946 760 R CB 1.363 31.347 30.300 -0.527 0.000 1.208 760 R HN 0.486 nan 8.270 nan 0.000 0.477 761 L N 2.286 123.370 121.223 -0.232 0.000 2.385 761 L HA 0.579 4.921 4.340 0.003 0.000 0.273 761 L C -0.562 176.208 176.870 -0.167 0.000 0.990 761 L CA -0.799 53.933 54.840 -0.180 0.000 0.821 761 L CB 2.079 43.932 42.059 -0.343 0.000 1.279 761 L HN 0.531 nan 8.230 nan 0.000 0.412 762 R N 3.812 124.217 120.500 -0.159 0.000 2.387 762 R HA 0.648 4.990 4.340 0.003 0.000 0.314 762 R C -1.200 174.707 176.300 -0.655 0.000 0.958 762 R CA -0.548 55.283 56.100 -0.448 0.000 0.846 762 R CB 1.095 31.030 30.300 -0.609 0.000 1.147 762 R HN 0.433 nan 8.270 nan 0.000 0.447 763 I N 4.109 124.144 120.570 -0.891 0.000 2.493 763 I HA 0.373 4.545 4.170 0.003 0.000 0.298 763 I C -0.471 175.021 176.117 -1.041 0.000 0.998 763 I CA -0.765 60.004 61.300 -0.885 0.000 1.137 763 I CB 1.706 39.126 38.000 -0.967 0.000 1.310 763 I HN 0.693 nan 8.210 nan 0.000 0.445 764 H N 4.815 123.650 119.070 -0.393 0.000 3.013 764 H HA 0.428 4.986 4.556 0.003 0.000 0.326 764 H C -0.773 174.520 175.328 -0.057 0.000 0.973 764 H CA -0.614 55.271 56.048 -0.272 0.000 1.369 764 H CB 1.570 31.210 29.762 -0.202 0.000 1.598 764 H HN 0.476 nan 8.280 nan 0.000 0.518 765 N N 2.823 121.585 118.700 0.104 0.000 2.405 765 N HA 0.394 5.136 4.740 0.003 0.000 0.299 765 N C -0.770 174.953 175.510 0.355 0.000 1.075 765 N CA -0.695 52.532 53.050 0.295 0.000 0.884 765 N CB 2.975 41.526 38.487 0.106 0.000 1.194 765 N HN 0.340 nan 8.380 nan 0.000 0.491 766 L N 0.499 122.020 121.223 0.496 0.000 2.516 766 L HA 0.499 4.841 4.340 0.003 0.000 0.267 766 L C -0.451 176.567 176.870 0.247 0.000 0.957 766 L CA -0.416 54.638 54.840 0.357 0.000 0.860 766 L CB 1.715 43.911 42.059 0.228 0.000 1.265 766 L HN 0.590 nan 8.230 nan 0.000 0.403 767 G N 5.757 114.708 108.800 0.252 0.000 2.319 767 G HA2 0.586 4.548 3.960 0.003 0.000 0.308 767 G HA3 0.586 4.548 3.960 0.003 0.000 0.308 767 G C -0.894 173.972 174.900 -0.056 0.000 1.117 767 G CA -0.430 44.644 45.100 -0.044 0.000 0.903 767 G HN 0.536 nan 8.290 nan 0.000 0.436 768 L N 2.035 123.134 121.223 -0.208 0.000 2.334 768 L HA 0.471 4.813 4.340 0.003 0.000 0.270 768 L C -0.047 176.692 176.870 -0.217 0.000 1.018 768 L CA -1.344 53.363 54.840 -0.221 0.000 0.811 768 L CB 1.728 43.476 42.059 -0.519 0.000 1.271 768 L HN 0.341 nan 8.230 nan 0.000 0.443 769 N N -0.445 118.180 118.700 -0.124 0.000 2.434 769 N HA 0.427 5.169 4.740 0.003 0.000 0.266 769 N C -0.955 174.490 175.510 -0.107 0.000 1.223 769 N CA -0.305 52.692 53.050 -0.089 0.000 0.972 769 N CB 1.592 40.070 38.487 -0.015 0.000 1.207 769 N HN 0.495 nan 8.380 nan 0.000 0.525 770 C N -0.545 118.715 119.300 -0.068 0.000 2.889 770 C HA 0.832 5.294 4.460 0.003 0.000 0.307 770 C C -0.371 174.618 174.990 -0.001 0.000 1.251 770 C CA -0.181 58.815 59.018 -0.038 0.000 1.593 770 C CB 1.264 28.966 27.740 -0.063 0.000 2.104 770 C HN 0.733 nan 8.230 nan 0.000 0.476 771 S N 0.363 116.075 115.700 0.020 0.000 2.565 771 S HA 0.429 4.901 4.470 0.003 0.000 0.274 771 S C 0.192 174.805 174.600 0.022 0.000 1.144 771 S CA 0.278 58.491 58.200 0.022 0.000 0.849 771 S CB 1.138 64.357 63.200 0.031 0.000 1.103 771 S HN 1.277 nan 8.310 nan 0.000 0.455 772 S N 1.666 117.377 115.700 0.017 0.000 2.556 772 S HA 0.265 4.737 4.470 0.003 0.000 0.216 772 S C 0.038 174.651 174.600 0.022 0.000 0.970 772 S CA -0.248 57.958 58.200 0.011 0.000 0.912 772 S CB -0.060 63.143 63.200 0.005 0.000 0.790 772 S HN 0.620 nan 8.310 nan 0.000 0.504 773 Q N 1.194 121.015 119.800 0.035 0.000 2.340 773 Q HA 0.437 4.779 4.340 0.003 0.000 0.259 773 Q C 0.861 176.911 176.000 0.083 0.000 0.964 773 Q CA -0.231 55.602 55.803 0.051 0.000 0.900 773 Q CB 1.589 30.355 28.738 0.048 0.000 1.228 773 Q HN 0.310 nan 8.270 nan 0.000 0.449 774 L N 1.220 122.508 121.223 0.108 0.000 2.127 774 L HA -0.276 4.066 4.340 0.003 0.000 0.211 774 L C 2.048 179.104 176.870 0.310 0.000 1.089 774 L CA 1.482 56.442 54.840 0.200 0.000 0.757 774 L CB -0.469 41.729 42.059 0.232 0.000 0.899 774 L HN 0.711 nan 8.230 nan 0.000 0.434 775 A N 0.159 123.107 122.820 0.214 0.000 1.892 775 A HA -0.264 4.058 4.320 0.003 0.000 0.218 775 A C 1.954 179.680 177.584 0.237 0.000 1.188 775 A CA 2.159 54.336 52.037 0.234 0.000 0.631 775 A CB -0.558 18.518 19.000 0.126 0.000 0.822 775 A HN 0.409 nan 8.150 nan 0.000 0.447 776 D N -0.270 120.223 120.400 0.155 0.000 2.144 776 D HA -0.123 4.519 4.640 0.003 0.000 0.199 776 D C 1.945 178.312 176.300 0.112 0.000 0.984 776 D CA 0.892 54.964 54.000 0.119 0.000 0.834 776 D CB -0.334 40.514 40.800 0.080 0.000 0.955 776 D HN 0.454 nan 8.370 nan 0.000 0.465 777 L N -0.058 121.220 121.223 0.092 0.000 1.970 777 L HA -0.258 4.084 4.340 0.003 0.000 0.212 777 L C 2.422 179.259 176.870 -0.055 0.000 1.071 777 L CA 1.505 56.330 54.840 -0.025 0.000 0.751 777 L CB -0.298 41.676 42.059 -0.140 0.000 0.889 777 L HN 0.028 nan 8.230 nan 0.000 0.432 778 Y N 0.313 120.665 120.300 0.086 0.000 2.133 778 Y HA -0.255 4.297 4.550 0.003 0.000 0.287 778 Y C 2.617 178.539 175.900 0.036 0.000 1.134 778 Y CA 1.576 59.706 58.100 0.049 0.000 1.133 778 Y CB -0.390 38.109 38.460 0.065 0.000 0.987 778 Y HN 0.091 nan 8.280 nan 0.000 0.502 779 K N -0.363 120.175 120.400 0.230 0.000 2.228 779 K HA -0.146 4.176 4.320 0.003 0.000 0.205 779 K C 1.394 178.064 176.600 0.116 0.000 1.045 779 K CA 1.650 58.025 56.287 0.147 0.000 0.931 779 K CB -0.284 32.296 32.500 0.134 0.000 0.727 779 K HN 0.106 nan 8.250 nan 0.000 0.458 780 S N 0.089 115.862 115.700 0.122 0.000 2.575 780 S HA 0.115 4.587 4.470 0.003 0.000 0.237 780 S C 0.144 174.858 174.600 0.190 0.000 0.975 780 S CA -0.567 57.725 58.200 0.154 0.000 0.960 780 S CB 0.067 63.370 63.200 0.171 0.000 0.822 780 S HN 0.227 nan 8.310 nan 0.000 0.472 781 C N 2.005 121.375 119.300 0.117 0.000 2.500 781 C HA 0.492 4.954 4.460 0.003 0.000 0.367 781 C C 0.698 175.769 174.990 0.136 0.000 1.283 781 C CA -0.726 58.346 59.018 0.090 0.000 2.456 781 C CB 0.395 28.152 27.740 0.030 0.000 2.457 781 C HN 0.537 nan 8.230 nan 0.000 0.632 782 E N 0.128 120.404 120.200 0.126 0.000 2.244 782 E HA 0.230 4.582 4.350 0.003 0.000 0.260 782 E C 0.353 177.012 176.600 0.098 0.000 0.884 782 E CA -0.231 56.252 56.400 0.139 0.000 0.777 782 E CB 1.218 31.055 29.700 0.229 0.000 1.197 782 E HN 0.686 nan 8.360 nan 0.000 0.416 783 T N 3.413 118.028 114.554 0.101 0.000 2.746 783 T HA -0.144 4.208 4.350 0.003 0.000 0.267 783 T C 0.851 175.641 174.700 0.150 0.000 1.039 783 T CA 1.427 63.604 62.100 0.128 0.000 1.142 783 T CB -0.065 68.878 68.868 0.125 0.000 0.866 783 T HN 0.488 nan 8.240 nan 0.000 0.444 784 D N 1.195 121.677 120.400 0.136 0.000 2.123 784 D HA -0.045 4.597 4.640 0.003 0.000 0.196 784 D C 2.330 178.661 176.300 0.053 0.000 0.992 784 D CA 1.231 55.283 54.000 0.087 0.000 0.833 784 D CB -0.379 40.464 40.800 0.072 0.000 0.954 784 D HN 0.417 nan 8.370 nan 0.000 0.455 785 A N 1.083 123.937 122.820 0.057 0.000 1.835 785 A HA -0.132 4.190 4.320 0.003 0.000 0.215 785 A C 2.454 180.032 177.584 -0.011 0.000 1.199 785 A CA 0.953 53.003 52.037 0.021 0.000 0.615 785 A CB -1.017 17.992 19.000 0.014 0.000 0.838 785 A HN 0.182 nan 8.150 nan 0.000 0.444 786 L N -0.341 120.874 121.223 -0.013 0.000 2.051 786 L HA -0.252 4.090 4.340 0.003 0.000 0.214 786 L C 2.465 179.378 176.870 0.071 0.000 1.076 786 L CA 1.128 55.942 54.840 -0.043 0.000 0.758 786 L CB -0.523 41.579 42.059 0.072 0.000 0.890 786 L HN 0.366 nan 8.230 nan 0.000 0.433 787 I N -0.213 120.429 120.570 0.121 0.000 2.252 787 I HA -0.286 3.886 4.170 0.003 0.000 0.245 787 I C 2.420 178.494 176.117 -0.072 0.000 1.102 787 I CA 1.334 62.672 61.300 0.063 0.000 1.385 787 I CB -1.462 36.510 38.000 -0.046 0.000 1.064 787 I HN 0.466 nan 8.210 nan 0.000 0.414 788 N N 1.044 119.713 118.700 -0.052 0.000 2.149 788 N HA -0.260 4.482 4.740 0.003 0.000 0.188 788 N C 2.080 177.492 175.510 -0.163 0.000 1.019 788 N CA 1.409 54.412 53.050 -0.078 0.000 0.857 788 N CB -0.224 38.244 38.487 -0.032 0.000 0.997 788 N HN 0.284 nan 8.380 nan 0.000 0.426 789 F N 0.733 120.489 119.950 -0.323 0.000 2.060 789 F HA -0.035 4.494 4.527 0.003 0.000 0.295 789 F C 2.081 177.584 175.800 -0.494 0.000 1.120 789 F CA 1.334 59.036 58.000 -0.497 0.000 1.205 789 F CB -0.977 37.673 39.000 -0.583 0.000 0.986 789 F HN -0.079 nan 8.300 nan 0.000 0.470 790 F N 0.802 120.578 119.950 -0.290 0.000 2.087 790 F HA -0.317 4.212 4.527 0.004 0.000 0.299 790 F C 2.652 178.161 175.800 -0.484 0.000 1.100 790 F CA 1.373 59.142 58.000 -0.384 0.000 1.226 790 F CB -1.199 37.707 39.000 -0.157 0.000 0.983 790 F HN 0.181 nan 8.300 nan 0.000 0.479 791 A N 0.346 122.979 122.820 -0.312 0.000 1.849 791 A HA -0.262 4.060 4.320 0.003 0.000 0.217 791 A C 2.159 179.389 177.584 -0.591 0.000 1.202 791 A CA 2.149 53.869 52.037 -0.527 0.000 0.629 791 A CB -0.819 17.863 19.000 -0.529 0.000 0.834 791 A HN 0.345 nan 8.150 nan 0.000 0.447 792 K N -0.369 119.704 120.400 -0.546 0.000 2.032 792 K HA -0.160 4.162 4.320 0.003 0.000 0.209 792 K C 2.496 178.847 176.600 -0.416 0.000 1.048 792 K CA 1.556 57.586 56.287 -0.429 0.000 0.927 792 K CB -0.344 31.888 32.500 -0.447 0.000 0.712 792 K HN 0.511 nan 8.250 nan 0.000 0.441 793 S N 0.780 115.943 115.700 -0.894 0.000 2.374 793 S HA -0.204 4.268 4.470 0.003 0.000 0.227 793 S C 2.106 176.620 174.600 -0.143 0.000 1.037 793 S CA 1.457 59.226 58.200 -0.718 0.000 1.024 793 S CB -0.196 62.271 63.200 -1.222 0.000 0.861 793 S HN 0.374 nan 8.310 nan 0.000 0.456 794 A N 0.347 123.112 122.820 -0.091 0.000 1.897 794 A HA 0.173 4.495 4.320 0.003 0.000 0.215 794 A C 1.873 179.580 177.584 0.204 0.000 1.181 794 A CA 1.147 53.234 52.037 0.084 0.000 0.620 794 A CB -0.985 18.088 19.000 0.122 0.000 0.821 794 A HN 0.575 nan 8.150 nan 0.000 0.443 795 F N 0.382 120.282 119.950 -0.084 0.000 2.269 795 F HA -0.077 4.452 4.527 0.004 0.000 0.301 795 F C 2.186 177.949 175.800 -0.061 0.000 1.082 795 F CA 1.426 59.372 58.000 -0.090 0.000 1.360 795 F CB -0.268 38.689 39.000 -0.071 0.000 1.041 795 F HN 0.271 nan 8.300 nan 0.000 0.512 796 K N 0.008 120.537 120.400 0.215 0.000 2.186 796 K HA 0.051 4.373 4.320 0.003 0.000 0.202 796 K C 2.211 178.928 176.600 0.195 0.000 1.052 796 K CA 0.825 57.232 56.287 0.199 0.000 0.965 796 K CB -0.096 32.581 32.500 0.294 0.000 0.746 796 K HN 0.106 nan 8.250 nan 0.000 0.457 797 A N 0.850 123.771 122.820 0.168 0.000 2.019 797 A HA -0.080 4.242 4.320 0.003 0.000 0.219 797 A C 2.092 179.725 177.584 0.081 0.000 1.164 797 A CA 1.167 53.303 52.037 0.166 0.000 0.644 797 A CB -0.545 18.517 19.000 0.103 0.000 0.805 797 A HN 0.151 nan 8.150 nan 0.000 0.449 798 V N -0.171 119.712 119.914 -0.050 0.000 2.370 798 V HA -0.257 3.865 4.120 0.003 0.000 0.252 798 V C 1.954 177.953 176.094 -0.158 0.000 1.068 798 V CA 1.805 63.987 62.300 -0.197 0.000 1.061 798 V CB -0.681 30.832 31.823 -0.516 0.000 0.656 798 V HN 0.519 nan 8.190 nan 0.000 0.455 799 L N -0.577 120.540 121.223 -0.177 0.000 2.675 799 L HA 0.070 4.412 4.340 0.003 0.000 0.239 799 L C 1.332 177.857 176.870 -0.575 0.000 1.151 799 L CA 1.432 56.080 54.840 -0.320 0.000 0.905 799 L CB -1.461 40.361 42.059 -0.395 0.000 1.057 799 L HN 0.512 nan 8.230 nan 0.000 0.435 800 H N -3.330 115.743 119.070 0.004 0.000 3.881 800 H HA 0.319 4.877 4.556 0.003 0.000 0.256 800 H C 0.156 175.492 175.328 0.014 0.000 1.069 800 H CA -0.167 55.889 56.048 0.013 0.000 1.145 800 H CB 0.699 30.469 29.762 0.013 0.000 1.445 800 H HN 0.214 nan 8.280 nan 0.000 0.700 801 Q N 0.310 120.177 119.800 0.112 0.000 2.456 801 Q HA 0.377 4.719 4.340 0.003 0.000 0.284 801 Q C -2.903 173.121 176.000 0.039 0.000 1.061 801 Q CA -2.297 53.550 55.803 0.072 0.000 0.799 801 Q CB 2.770 31.551 28.738 0.071 0.000 1.445 801 Q HN -0.070 nan 8.270 nan 0.000 0.411 802 P HA -0.025 nan 4.420 nan 0.000 0.264 802 P C 0.336 177.646 177.300 0.017 0.000 1.193 802 P CA 0.297 63.413 63.100 0.026 0.000 0.763 802 P CB 0.513 32.229 31.700 0.027 0.000 0.810 803 L N 2.822 124.050 121.223 0.008 0.000 2.089 803 L HA -0.251 4.091 4.340 0.003 0.000 0.213 803 L C 2.162 179.037 176.870 0.008 0.000 1.079 803 L CA 1.862 56.699 54.840 -0.004 0.000 0.758 803 L CB -0.704 41.349 42.059 -0.010 0.000 0.891 803 L HN 0.528 nan 8.230 nan 0.000 0.433 804 K N 0.007 120.416 120.400 0.015 0.000 2.280 804 K HA -0.111 4.211 4.320 0.003 0.000 0.202 804 K C 1.885 178.498 176.600 0.021 0.000 1.047 804 K CA 0.706 57.004 56.287 0.018 0.000 0.942 804 K CB 0.180 32.692 32.500 0.019 0.000 0.739 804 K HN 0.142 nan 8.250 nan 0.000 0.457 805 V N 0.958 120.885 119.914 0.022 0.000 2.488 805 V HA -0.197 3.925 4.120 0.003 0.000 0.246 805 V C 2.087 178.197 176.094 0.028 0.000 1.046 805 V CA 1.321 63.636 62.300 0.026 0.000 1.053 805 V CB -0.259 31.582 31.823 0.030 0.000 0.679 805 V HN 0.274 nan 8.190 nan 0.000 0.458 806 I N -0.148 120.437 120.570 0.025 0.000 2.163 806 I HA -0.231 3.941 4.170 0.003 0.000 0.240 806 I C 2.789 178.919 176.117 0.021 0.000 1.081 806 I CA 1.552 62.868 61.300 0.027 0.000 1.353 806 I CB -0.367 37.645 38.000 0.020 0.000 1.054 806 I HN 0.156 nan 8.210 nan 0.000 0.407 807 R N 0.665 121.175 120.500 0.017 0.000 2.117 807 R HA -0.225 4.117 4.340 0.003 0.000 0.243 807 R C 2.183 178.497 176.300 0.024 0.000 1.143 807 R CA 1.602 57.712 56.100 0.015 0.000 0.968 807 R CB -0.304 30.007 30.300 0.018 0.000 0.863 807 R HN 0.366 nan 8.270 nan 0.000 0.444 808 E N 0.034 120.250 120.200 0.028 0.000 2.051 808 E HA -0.178 4.174 4.350 0.003 0.000 0.192 808 E C 1.849 178.467 176.600 0.030 0.000 0.991 808 E CA 1.348 57.767 56.400 0.031 0.000 0.799 808 E CB -0.046 29.671 29.700 0.029 0.000 0.748 808 E HN 0.287 nan 8.360 nan 0.000 0.449 809 I N 0.706 121.294 120.570 0.029 0.000 2.208 809 I HA -0.310 3.862 4.170 0.003 0.000 0.245 809 I C 2.296 178.423 176.117 0.017 0.000 1.097 809 I CA 0.907 62.227 61.300 0.034 0.000 1.363 809 I CB -0.227 37.801 38.000 0.048 0.000 1.051 809 I HN 0.186 nan 8.210 nan 0.000 0.413 810 L N -0.105 121.111 121.223 -0.013 0.000 1.989 810 L HA -0.230 4.112 4.340 0.003 0.000 0.211 810 L C 2.616 179.432 176.870 -0.090 0.000 1.071 810 L CA 1.327 56.100 54.840 -0.111 0.000 0.749 810 L CB -0.598 41.389 42.059 -0.121 0.000 0.890 810 L HN 0.069 nan 8.230 nan 0.000 0.431 811 V N 0.103 120.025 119.914 0.014 0.000 2.295 811 V HA -0.278 3.844 4.120 0.003 0.000 0.246 811 V C 2.189 178.310 176.094 0.046 0.000 1.049 811 V CA 1.903 64.257 62.300 0.090 0.000 1.024 811 V CB -0.684 31.217 31.823 0.131 0.000 0.648 811 V HN 0.501 nan 8.190 nan 0.000 0.447 812 N N -0.287 118.437 118.700 0.040 0.000 2.289 812 N HA -0.194 4.548 4.740 0.003 0.000 0.184 812 N C 1.874 177.436 175.510 0.087 0.000 1.016 812 N CA 1.202 54.286 53.050 0.057 0.000 0.872 812 N CB -0.218 38.302 38.487 0.055 0.000 0.973 812 N HN 0.601 nan 8.380 nan 0.000 0.433 813 Q N 0.161 119.993 119.800 0.053 0.000 2.187 813 Q HA -0.012 4.330 4.340 0.003 0.000 0.199 813 Q C 1.299 177.357 176.000 0.097 0.000 0.957 813 Q CA 0.998 56.850 55.803 0.082 0.000 0.857 813 Q CB 0.194 28.991 28.738 0.098 0.000 0.929 813 Q HN 0.268 nan 8.270 nan 0.000 0.453 814 T N 0.330 114.891 114.554 0.011 0.000 2.737 814 T HA -0.096 4.256 4.350 0.003 0.000 0.265 814 T C 1.737 176.481 174.700 0.075 0.000 1.038 814 T CA 1.226 63.342 62.100 0.027 0.000 1.144 814 T CB -0.245 68.646 68.868 0.039 0.000 0.866 814 T HN 0.396 nan 8.240 nan 0.000 0.434 815 A N 1.076 123.929 122.820 0.055 0.000 1.930 815 A HA -0.143 4.180 4.320 0.003 0.000 0.217 815 A C 2.160 179.788 177.584 0.073 0.000 1.175 815 A CA 1.378 53.433 52.037 0.030 0.000 0.627 815 A CB -0.812 18.183 19.000 -0.009 0.000 0.815 815 A HN 0.586 nan 8.150 nan 0.000 0.443 816 H N -0.082 119.010 119.070 0.038 0.000 2.321 816 H HA -0.066 4.492 4.556 0.003 0.000 0.300 816 H C 2.017 177.405 175.328 0.100 0.000 1.087 816 H CA 2.134 58.217 56.048 0.058 0.000 1.319 816 H CB -0.256 29.543 29.762 0.061 0.000 1.379 816 H HN 0.468 nan 8.280 nan 0.000 0.501 817 M N 0.101 119.890 119.600 0.316 0.000 2.080 817 M HA -0.209 4.273 4.480 0.003 0.000 0.260 817 M C 2.709 179.178 176.300 0.281 0.000 1.068 817 M CA 1.531 57.031 55.300 0.333 0.000 1.109 817 M CB -0.288 32.492 32.600 0.299 0.000 1.342 817 M HN 0.200 nan 8.290 nan 0.000 0.405 818 L N -0.530 120.793 121.223 0.167 0.000 2.141 818 L HA -0.123 4.219 4.340 0.003 0.000 0.209 818 L C 2.827 179.738 176.870 0.069 0.000 1.094 818 L CA 0.838 55.742 54.840 0.107 0.000 0.763 818 L CB -0.919 41.179 42.059 0.065 0.000 0.908 818 L HN 0.299 nan 8.230 nan 0.000 0.437 819 A N -0.533 122.295 122.820 0.013 0.000 1.873 819 A HA -0.275 4.047 4.320 0.003 0.000 0.215 819 A C 2.527 180.075 177.584 -0.059 0.000 1.186 819 A CA 1.735 53.738 52.037 -0.057 0.000 0.616 819 A CB -1.297 17.619 19.000 -0.139 0.000 0.823 819 A HN 0.558 nan 8.150 nan 0.000 0.442 820 C N -1.665 117.613 119.300 -0.036 0.000 2.393 820 C HA -0.207 4.255 4.460 0.003 0.000 0.276 820 C C 2.480 177.470 174.990 -0.000 0.000 1.215 820 C CA 1.525 60.556 59.018 0.020 0.000 1.743 820 C CB -1.499 26.349 27.740 0.180 0.000 2.044 820 C HN 0.688 nan 8.230 nan 0.000 0.464 821 Y N 1.825 122.011 120.300 -0.189 0.000 2.165 821 Y HA -0.171 4.381 4.550 0.003 0.000 0.286 821 Y C 2.655 178.405 175.900 -0.249 0.000 1.155 821 Y CA 2.560 60.376 58.100 -0.473 0.000 1.164 821 Y CB -0.667 37.311 38.460 -0.804 0.000 0.978 821 Y HN 0.320 nan 8.280 nan 0.000 0.513 822 R N 1.586 121.999 120.500 -0.145 0.000 2.083 822 R HA -0.181 4.161 4.340 0.003 0.000 0.237 822 R C 2.007 178.198 176.300 -0.182 0.000 1.137 822 R CA 2.489 58.497 56.100 -0.153 0.000 0.951 822 R CB -0.642 29.631 30.300 -0.047 0.000 0.851 822 R HN 0.561 nan 8.270 nan 0.000 0.434 823 K N -1.118 119.199 120.400 -0.139 0.000 2.487 823 K HA 0.093 4.415 4.320 0.003 0.000 0.192 823 K C 0.474 177.000 176.600 -0.123 0.000 1.027 823 K CA 1.006 57.224 56.287 -0.115 0.000 1.054 823 K CB 0.246 32.694 32.500 -0.086 0.000 0.824 823 K HN 0.142 nan 8.250 nan 0.000 0.510 824 N N -0.449 118.146 118.700 -0.175 0.000 2.324 824 N HA 0.074 4.816 4.740 0.003 0.000 0.235 824 N C 0.914 176.293 175.510 -0.218 0.000 1.162 824 N CA 0.245 53.206 53.050 -0.148 0.000 0.834 824 N CB 0.479 38.923 38.487 -0.072 0.000 1.354 824 N HN 0.170 nan 8.380 nan 0.000 0.471 825 C N 1.047 120.088 119.300 -0.433 0.000 2.378 825 C HA 0.506 4.968 4.460 0.003 0.000 0.389 825 C C 1.304 175.977 174.990 -0.529 0.000 1.394 825 C CA -0.537 58.167 59.018 -0.523 0.000 2.275 825 C CB -0.563 26.680 27.740 -0.829 0.000 2.567 825 C HN 0.340 nan 8.230 nan 0.000 0.556 826 A N 2.618 125.008 122.820 -0.716 0.000 2.548 826 A HA 0.394 4.716 4.320 0.003 0.000 0.247 826 A C 0.684 178.148 177.584 -0.200 0.000 1.067 826 A CA 0.463 52.264 52.037 -0.393 0.000 0.757 826 A CB -0.026 18.795 19.000 -0.298 0.000 0.996 826 A HN 0.762 nan 8.150 nan 0.000 0.504 827 S N 4.149 119.777 115.700 -0.120 0.000 2.560 827 S HA 0.358 4.830 4.470 0.003 0.000 0.284 827 S C -2.009 172.552 174.600 -0.065 0.000 1.327 827 S CA -0.888 57.266 58.200 -0.077 0.000 1.055 827 S CB -0.209 62.964 63.200 -0.046 0.000 0.868 827 S HN 0.726 nan 8.310 nan 0.000 0.506 828 P HA 0.052 nan 4.420 nan 0.000 0.259 828 P C -0.372 176.908 177.300 -0.033 0.000 1.163 828 P CA 0.233 63.306 63.100 -0.045 0.000 0.760 828 P CB 0.166 31.843 31.700 -0.038 0.000 0.762 829 S N 1.424 117.106 115.700 -0.029 0.000 2.588 829 S HA 0.716 5.188 4.470 0.003 0.000 0.275 829 S C -0.336 174.257 174.600 -0.012 0.000 1.130 829 S CA -0.921 57.268 58.200 -0.018 0.000 0.855 829 S CB 1.519 64.710 63.200 -0.015 0.000 1.116 829 S HN 0.626 nan 8.310 nan 0.000 0.472 830 A N 0.835 123.649 122.820 -0.009 0.000 2.555 830 A HA 0.565 4.887 4.320 0.003 0.000 0.233 830 A C 1.502 179.092 177.584 0.011 0.000 1.060 830 A CA 0.083 52.117 52.037 -0.004 0.000 0.759 830 A CB -0.655 18.341 19.000 -0.007 0.000 0.995 830 A HN 1.830 nan 8.150 nan 0.000 0.506 831 A N 1.296 124.126 122.820 0.016 0.000 2.067 831 A HA 0.014 4.336 4.320 0.003 0.000 0.219 831 A C 2.150 179.790 177.584 0.095 0.000 1.158 831 A CA 1.822 53.883 52.037 0.040 0.000 0.661 831 A CB -0.803 18.205 19.000 0.014 0.000 0.801 831 A HN 1.675 nan 8.150 nan 0.000 0.452 832 S N -0.852 114.879 115.700 0.051 0.000 2.607 832 S HA 0.059 4.531 4.470 0.003 0.000 0.224 832 S C 0.667 175.244 174.600 -0.039 0.000 0.969 832 S CA -0.031 58.191 58.200 0.036 0.000 0.927 832 S CB -0.175 63.024 63.200 -0.000 0.000 0.772 832 S HN 0.667 nan 8.310 nan 0.000 0.533 833 Q N 0.359 120.145 119.800 -0.023 0.000 2.248 833 Q HA 0.657 4.999 4.340 0.003 0.000 0.263 833 Q C -1.280 174.661 176.000 -0.098 0.000 1.007 833 Q CA -0.812 54.933 55.803 -0.096 0.000 0.877 833 Q CB 2.126 30.836 28.738 -0.046 0.000 1.315 833 Q HN 0.411 nan 8.270 nan 0.000 0.454 834 L N 2.190 123.300 121.223 -0.187 0.000 2.319 834 L HA 0.444 4.786 4.340 0.003 0.000 0.281 834 L C -1.356 175.501 176.870 -0.022 0.000 1.005 834 L CA -0.655 54.127 54.840 -0.096 0.000 0.828 834 L CB 0.815 42.732 42.059 -0.238 0.000 1.227 834 L HN 0.456 nan 8.230 nan 0.000 0.415 835 I N 6.044 126.639 120.570 0.041 0.000 2.396 835 I HA 0.400 4.572 4.170 0.003 0.000 0.292 835 I C -0.282 175.876 176.117 0.068 0.000 0.999 835 I CA -0.469 60.869 61.300 0.063 0.000 1.310 835 I CB 1.247 39.309 38.000 0.104 0.000 1.404 835 I HN 0.601 nan 8.210 nan 0.000 0.496 836 L N 6.955 128.192 121.223 0.024 0.000 2.438 836 L HA 0.435 4.778 4.340 0.003 0.000 0.270 836 L C -2.377 174.395 176.870 -0.163 0.000 0.972 836 L CA -1.723 53.077 54.840 -0.066 0.000 0.831 836 L CB 2.410 44.445 42.059 -0.040 0.000 1.273 836 L HN 0.352 nan 8.230 nan 0.000 0.405 837 P HA 0.053 nan 4.420 nan 0.000 0.269 837 P C -0.240 176.948 177.300 -0.187 0.000 1.215 837 P CA -0.211 62.591 63.100 -0.497 0.000 0.780 837 P CB 1.264 32.402 31.700 -0.936 0.000 0.898 838 D N 0.694 121.036 120.400 -0.096 0.000 2.182 838 D HA -0.129 4.513 4.640 0.003 0.000 0.201 838 D C 1.848 178.125 176.300 -0.038 0.000 0.986 838 D CA 1.736 55.708 54.000 -0.046 0.000 0.847 838 D CB -0.232 40.559 40.800 -0.014 0.000 0.942 838 D HN 0.460 nan 8.370 nan 0.000 0.467 839 S N 0.136 115.817 115.700 -0.032 0.000 2.423 839 S HA -0.083 4.389 4.470 0.003 0.000 0.231 839 S C 1.773 176.372 174.600 -0.001 0.000 1.014 839 S CA 0.655 58.858 58.200 0.004 0.000 0.965 839 S CB -0.195 63.028 63.200 0.039 0.000 0.785 839 S HN 0.258 nan 8.310 nan 0.000 0.495 840 M N 0.177 119.757 119.600 -0.033 0.000 2.484 840 M HA 0.338 4.820 4.480 0.003 0.000 0.307 840 M C 1.136 177.406 176.300 -0.050 0.000 1.149 840 M CA -0.240 55.048 55.300 -0.021 0.000 0.972 840 M CB 0.186 32.786 32.600 0.000 0.000 1.400 840 M HN 0.115 nan 8.290 nan 0.000 0.508 841 K N 1.149 121.508 120.400 -0.068 0.000 2.032 841 K HA -0.153 4.169 4.320 0.003 0.000 0.218 841 K C 1.462 177.992 176.600 -0.116 0.000 1.054 841 K CA 1.453 57.694 56.287 -0.077 0.000 0.941 841 K CB -0.193 32.259 32.500 -0.081 0.000 0.720 841 K HN 0.182 nan 8.250 nan 0.000 0.449 842 V N 1.585 121.370 119.914 -0.216 0.000 3.577 842 V HA -0.020 4.102 4.120 0.003 0.000 0.294 842 V C 1.618 177.456 176.094 -0.426 0.000 1.317 842 V CA 0.212 62.248 62.300 -0.440 0.000 1.169 842 V CB -0.130 31.251 31.823 -0.736 0.000 1.011 842 V HN 0.268 nan 8.190 nan 0.000 0.426 843 L N 1.117 122.250 121.223 -0.149 0.000 2.017 843 L HA -0.068 4.274 4.340 0.003 0.000 0.208 843 L C -0.090 176.796 176.870 0.027 0.000 1.073 843 L CA 2.222 57.051 54.840 -0.018 0.000 0.745 843 L CB -0.869 41.227 42.059 0.061 0.000 0.894 843 L HN 0.317 nan 8.230 nan 0.000 0.432 844 P HA -0.173 nan 4.420 nan 0.000 0.214 844 P C 1.888 179.314 177.300 0.210 0.000 1.163 844 P CA 1.970 65.276 63.100 0.343 0.000 0.889 844 P CB -0.087 31.867 31.700 0.425 0.000 0.790 845 V N -1.419 118.468 119.914 -0.046 0.000 2.233 845 V HA -0.320 3.802 4.120 0.003 0.000 0.252 845 V C 2.334 178.349 176.094 -0.132 0.000 1.063 845 V CA 2.155 64.201 62.300 -0.422 0.000 1.032 845 V CB -1.955 29.302 31.823 -0.943 0.000 0.645 845 V HN 0.015 nan 8.190 nan 0.000 0.446 846 Y N -0.700 119.479 120.300 -0.203 0.000 2.181 846 Y HA -0.206 4.346 4.550 0.003 0.000 0.288 846 Y C 2.462 178.225 175.900 -0.229 0.000 1.146 846 Y CA 1.557 59.558 58.100 -0.165 0.000 1.164 846 Y CB -1.028 37.348 38.460 -0.140 0.000 0.982 846 Y HN 0.289 nan 8.280 nan 0.000 0.515 847 M N 0.503 120.057 119.600 -0.077 0.000 2.117 847 M HA -0.208 4.274 4.480 0.003 0.000 0.262 847 M C 1.861 177.885 176.300 -0.460 0.000 1.065 847 M CA 1.707 56.851 55.300 -0.260 0.000 1.114 847 M CB -0.861 31.621 32.600 -0.197 0.000 1.361 847 M HN 0.286 nan 8.290 nan 0.000 0.408 848 N N -0.783 117.551 118.700 -0.611 0.000 2.166 848 N HA -0.184 4.558 4.740 0.003 0.000 0.186 848 N C 1.516 176.861 175.510 -0.276 0.000 1.019 848 N CA 1.778 54.414 53.050 -0.691 0.000 0.856 848 N CB -0.101 38.114 38.487 -0.454 0.000 0.993 848 N HN 0.508 nan 8.380 nan 0.000 0.426 849 C N 0.440 119.665 119.300 -0.124 0.000 2.425 849 C HA -0.093 4.370 4.460 0.003 0.000 0.277 849 C C 2.671 177.685 174.990 0.040 0.000 1.280 849 C CA 0.075 59.098 59.018 0.008 0.000 1.744 849 C CB -1.310 26.515 27.740 0.142 0.000 1.989 849 C HN 0.521 nan 8.230 nan 0.000 0.491 850 L N 0.725 121.880 121.223 -0.114 0.000 2.046 850 L HA -0.056 4.286 4.340 0.003 0.000 0.208 850 L C 2.281 179.162 176.870 0.020 0.000 1.077 850 L CA 1.820 56.597 54.840 -0.106 0.000 0.747 850 L CB -0.679 41.142 42.059 -0.396 0.000 0.896 850 L HN 0.303 nan 8.230 nan 0.000 0.432 851 L N -0.886 120.278 121.223 -0.098 0.000 2.201 851 L HA -0.170 4.172 4.340 0.003 0.000 0.212 851 L C 2.435 179.285 176.870 -0.033 0.000 1.105 851 L CA 1.089 55.885 54.840 -0.074 0.000 0.775 851 L CB -0.543 41.419 42.059 -0.162 0.000 0.913 851 L HN 0.236 nan 8.230 nan 0.000 0.440 852 K N -0.206 120.171 120.400 -0.039 0.000 2.305 852 K HA -0.041 4.282 4.320 0.003 0.000 0.199 852 K C 0.736 177.328 176.600 -0.012 0.000 1.047 852 K CA -0.150 56.118 56.287 -0.031 0.000 0.976 852 K CB -0.103 32.366 32.500 -0.051 0.000 0.765 852 K HN 0.183 nan 8.250 nan 0.000 0.474 853 N N 0.762 119.495 118.700 0.054 0.000 2.329 853 N HA -0.136 4.606 4.740 0.003 0.000 0.237 853 N C 1.231 176.769 175.510 0.048 0.000 1.258 853 N CA 0.096 53.200 53.050 0.091 0.000 0.866 853 N CB 0.672 39.358 38.487 0.332 0.000 1.102 853 N HN 0.200 nan 8.380 nan 0.000 0.440 854 C N 0.564 119.877 119.300 0.022 0.000 2.432 854 C HA 0.036 4.499 4.460 0.003 0.000 0.280 854 C C 2.270 177.266 174.990 0.009 0.000 1.353 854 C CA 0.116 59.142 59.018 0.013 0.000 1.766 854 C CB -1.260 26.490 27.740 0.016 0.000 1.924 854 C HN 0.555 nan 8.230 nan 0.000 0.509 855 V N 1.449 121.335 119.914 -0.047 0.000 2.407 855 V HA -0.135 3.987 4.120 0.003 0.000 0.248 855 V C 2.482 178.429 176.094 -0.245 0.000 1.055 855 V CA 2.005 64.149 62.300 -0.259 0.000 1.049 855 V CB -0.542 30.789 31.823 -0.819 0.000 0.662 855 V HN 0.648 nan 8.190 nan 0.000 0.455 856 L N -1.302 119.854 121.223 -0.111 0.000 2.607 856 L HA 0.187 4.529 4.340 0.003 0.000 0.228 856 L C 1.125 177.985 176.870 -0.017 0.000 1.123 856 L CA -0.139 54.664 54.840 -0.061 0.000 0.890 856 L CB 0.243 42.312 42.059 0.017 0.000 1.103 856 L HN 0.264 nan 8.230 nan 0.000 0.468 857 L N -1.800 119.421 121.223 -0.003 0.000 2.718 857 L HA 0.500 4.843 4.340 0.003 0.000 0.166 857 L C 0.430 177.312 176.870 0.021 0.000 1.893 857 L CA 0.066 54.910 54.840 0.007 0.000 2.845 857 L CB 0.894 42.954 42.059 0.001 0.000 2.993 857 L HN -0.085 nan 8.230 nan 0.000 0.684 858 S N -2.367 113.344 115.700 0.020 0.000 2.672 858 S HA 0.347 4.819 4.470 0.003 0.000 0.271 858 S C 0.272 174.882 174.600 0.017 0.000 1.171 858 S CA -0.480 57.735 58.200 0.026 0.000 0.817 858 S CB 1.589 64.801 63.200 0.021 0.000 1.150 858 S HN 0.394 nan 8.310 nan 0.000 0.478 859 R N 1.743 122.251 120.500 0.014 0.000 2.301 859 R HA -0.174 4.168 4.340 0.003 0.000 0.250 859 R C -1.839 174.462 176.300 0.002 0.000 1.102 859 R CA 2.280 58.382 56.100 0.003 0.000 0.933 859 R CB -1.946 28.353 30.300 -0.002 0.000 0.955 859 R HN 0.421 nan 8.270 nan 0.000 0.439 860 P HA -0.051 nan 4.420 nan 0.000 0.243 860 P C -0.566 176.737 177.300 0.004 0.000 1.134 860 P CA 0.899 64.001 63.100 0.003 0.000 1.109 860 P CB -0.003 31.698 31.700 0.002 0.000 1.140 861 E N 1.460 121.665 120.200 0.007 0.000 7.529 861 E HA -0.208 4.144 4.350 0.003 0.000 0.329 861 E C 0.309 176.917 176.600 0.015 0.000 1.435 861 E CA 0.057 56.465 56.400 0.013 0.000 2.539 861 E CB -0.704 29.005 29.700 0.014 0.000 1.488 861 E HN 0.355 nan 8.360 nan 0.000 0.448 862 I N -0.207 120.377 120.570 0.024 0.000 8.325 862 I HA -0.280 3.892 4.170 0.003 0.000 0.126 862 I C 0.813 176.948 176.117 0.030 0.000 1.788 862 I CA 1.164 62.483 61.300 0.033 0.000 2.146 862 I CB -0.874 37.143 38.000 0.027 0.000 3.690 862 I HN 0.558 nan 8.210 nan 0.000 0.201 863 S N 3.402 119.125 115.700 0.039 0.000 2.579 863 S HA 0.196 4.668 4.470 0.003 0.000 0.275 863 S C 1.251 175.860 174.600 0.016 0.000 1.345 863 S CA 0.005 58.224 58.200 0.031 0.000 1.031 863 S CB 1.572 64.805 63.200 0.054 0.000 0.892 863 S HN 0.618 nan 8.310 nan 0.000 0.529 864 T N 1.725 116.265 114.554 -0.024 0.000 2.720 864 T HA -0.138 4.215 4.350 0.003 0.000 0.268 864 T C 1.145 175.803 174.700 -0.069 0.000 1.037 864 T CA 1.896 63.924 62.100 -0.121 0.000 1.144 864 T CB -0.696 68.060 68.868 -0.187 0.000 0.864 864 T HN 0.712 nan 8.240 nan 0.000 0.444 865 D N 0.497 120.907 120.400 0.017 0.000 2.158 865 D HA -0.110 4.532 4.640 0.003 0.000 0.197 865 D C 2.213 178.532 176.300 0.032 0.000 0.995 865 D CA 1.101 55.100 54.000 -0.002 0.000 0.846 865 D CB -0.228 40.568 40.800 -0.005 0.000 0.941 865 D HN 0.358 nan 8.370 nan 0.000 0.456 866 E N 0.279 120.517 120.200 0.064 0.000 2.158 866 E HA -0.022 4.330 4.350 0.003 0.000 0.191 866 E C 1.938 178.637 176.600 0.165 0.000 0.982 866 E CA 0.768 57.245 56.400 0.128 0.000 0.823 866 E CB 0.137 29.908 29.700 0.118 0.000 0.766 866 E HN 0.148 nan 8.360 nan 0.000 0.468 867 R N -0.146 120.435 120.500 0.135 0.000 2.062 867 R HA 0.040 4.382 4.340 0.003 0.000 0.229 867 R C 2.322 178.801 176.300 0.299 0.000 1.128 867 R CA 1.056 57.281 56.100 0.209 0.000 0.960 867 R CB -0.472 30.006 30.300 0.297 0.000 0.855 867 R HN 0.208 nan 8.270 nan 0.000 0.432 868 A N 0.932 123.911 122.820 0.265 0.000 1.865 868 A HA -0.247 4.075 4.320 0.003 0.000 0.217 868 A C 2.029 179.712 177.584 0.165 0.000 1.191 868 A CA 1.398 53.595 52.037 0.266 0.000 0.623 868 A CB -0.905 18.136 19.000 0.068 0.000 0.826 868 A HN 0.405 nan 8.150 nan 0.000 0.444 869 Y N 0.678 120.970 120.300 -0.014 0.000 2.081 869 Y HA -0.302 4.250 4.550 0.003 0.000 0.280 869 Y C 2.565 178.415 175.900 -0.082 0.000 1.163 869 Y CA 2.375 60.432 58.100 -0.072 0.000 1.135 869 Y CB -0.712 37.697 38.460 -0.084 0.000 0.970 869 Y HN 0.477 nan 8.280 nan 0.000 0.498 870 Q N -0.467 119.298 119.800 -0.058 0.000 2.084 870 Q HA -0.227 4.115 4.340 0.003 0.000 0.202 870 Q C 2.467 178.396 176.000 -0.120 0.000 0.978 870 Q CA 1.548 57.245 55.803 -0.175 0.000 0.844 870 Q CB -0.327 28.458 28.738 0.079 0.000 0.898 870 Q HN 0.459 nan 8.270 nan 0.000 0.426 871 R N 0.849 121.298 120.500 -0.085 0.000 2.117 871 R HA -0.226 4.117 4.340 0.003 0.000 0.243 871 R C 2.137 178.464 176.300 0.044 0.000 1.143 871 R CA 1.683 57.722 56.100 -0.101 0.000 0.968 871 R CB -0.017 30.122 30.300 -0.269 0.000 0.863 871 R HN 0.320 nan 8.270 nan 0.000 0.444 872 Q N 0.300 120.057 119.800 -0.072 0.000 1.994 872 Q HA -0.098 4.244 4.340 0.003 0.000 0.198 872 Q C 2.355 178.236 176.000 -0.198 0.000 0.976 872 Q CA 1.298 57.039 55.803 -0.103 0.000 0.828 872 Q CB -0.034 28.638 28.738 -0.110 0.000 0.894 872 Q HN 0.397 nan 8.270 nan 0.000 0.432 873 L N 0.205 121.192 121.223 -0.394 0.000 2.051 873 L HA -0.262 4.080 4.340 0.003 0.000 0.214 873 L C 2.417 179.050 176.870 -0.395 0.000 1.076 873 L CA 1.133 55.679 54.840 -0.491 0.000 0.758 873 L CB -0.581 40.977 42.059 -0.834 0.000 0.890 873 L HN 0.176 nan 8.230 nan 0.000 0.433 874 V N -1.040 118.640 119.914 -0.391 0.000 2.453 874 V HA -0.274 3.848 4.120 0.003 0.000 0.247 874 V C 2.368 178.342 176.094 -0.201 0.000 1.048 874 V CA 1.427 63.502 62.300 -0.375 0.000 1.049 874 V CB -0.304 31.275 31.823 -0.407 0.000 0.672 874 V HN 0.353 nan 8.190 nan 0.000 0.457 875 M N -0.196 119.349 119.600 -0.092 0.000 2.337 875 M HA -0.170 4.312 4.480 0.003 0.000 0.261 875 M C 1.892 178.169 176.300 -0.038 0.000 1.067 875 M CA 1.849 57.132 55.300 -0.028 0.000 1.074 875 M CB -0.757 31.859 32.600 0.028 0.000 1.395 875 M HN 0.272 nan 8.290 nan 0.000 0.431 876 T N -0.458 114.049 114.554 -0.080 0.000 3.037 876 T HA 0.255 4.607 4.350 0.003 0.000 0.251 876 T C 0.625 175.287 174.700 -0.062 0.000 1.079 876 T CA -0.105 61.955 62.100 -0.066 0.000 1.067 876 T CB 0.028 68.843 68.868 -0.089 0.000 0.948 876 T HN 0.232 nan 8.240 nan 0.000 0.496 877 M N 1.340 120.886 119.600 -0.090 0.000 2.252 877 M HA 0.302 4.784 4.480 0.003 0.000 0.321 877 M C 1.119 177.398 176.300 -0.035 0.000 1.070 877 M CA -0.003 55.253 55.300 -0.073 0.000 1.143 877 M CB 0.331 32.860 32.600 -0.117 0.000 1.498 877 M HN 0.200 nan 8.290 nan 0.000 0.445 878 G N 0.641 109.430 108.800 -0.018 0.000 2.613 878 G HA2 0.453 4.416 3.960 0.003 0.000 0.303 878 G HA3 0.453 4.416 3.960 0.003 0.000 0.303 878 G C 0.669 175.572 174.900 0.005 0.000 1.312 878 G CA -0.862 44.238 45.100 0.001 0.000 1.036 878 G HN 0.575 nan 8.290 nan 0.000 0.513 879 V N 0.836 120.758 119.914 0.014 0.000 2.358 879 V HA -0.144 3.978 4.120 0.003 0.000 0.246 879 V C 3.290 179.396 176.094 0.021 0.000 1.047 879 V CA 2.431 64.743 62.300 0.020 0.000 1.035 879 V CB -1.099 30.742 31.823 0.030 0.000 0.658 879 V HN 0.804 nan 8.190 nan 0.000 0.452 880 A N 0.305 123.134 122.820 0.015 0.000 1.892 880 A HA -0.300 4.022 4.320 0.003 0.000 0.218 880 A C 2.046 179.648 177.584 0.031 0.000 1.188 880 A CA 2.289 54.337 52.037 0.018 0.000 0.631 880 A CB -0.711 18.294 19.000 0.008 0.000 0.822 880 A HN 0.596 nan 8.150 nan 0.000 0.447 881 D N 0.013 120.429 120.400 0.027 0.000 2.078 881 D HA -0.154 4.488 4.640 0.003 0.000 0.193 881 D C 2.513 178.847 176.300 0.056 0.000 0.990 881 D CA 2.074 56.096 54.000 0.036 0.000 0.827 881 D CB -0.571 40.234 40.800 0.008 0.000 0.975 881 D HN 0.609 nan 8.370 nan 0.000 0.451 882 S N 0.787 116.518 115.700 0.050 0.000 2.383 882 S HA -0.236 4.236 4.470 0.003 0.000 0.229 882 S C 1.948 176.661 174.600 0.188 0.000 1.030 882 S CA 1.158 59.442 58.200 0.140 0.000 1.002 882 S CB -0.342 62.947 63.200 0.148 0.000 0.829 882 S HN 0.106 nan 8.310 nan 0.000 0.467 883 Q N 0.984 120.823 119.800 0.065 0.000 2.045 883 Q HA -0.147 4.195 4.340 0.003 0.000 0.206 883 Q C 2.214 178.220 176.000 0.010 0.000 0.991 883 Q CA 1.938 57.719 55.803 -0.037 0.000 0.851 883 Q CB -0.668 28.056 28.738 -0.024 0.000 0.911 883 Q HN 0.611 nan 8.270 nan 0.000 0.418 884 L N 0.311 121.575 121.223 0.068 0.000 2.056 884 L HA -0.092 4.250 4.340 0.003 0.000 0.207 884 L C 2.326 179.238 176.870 0.071 0.000 1.078 884 L CA 1.638 56.529 54.840 0.085 0.000 0.749 884 L CB -1.001 41.110 42.059 0.087 0.000 0.901 884 L HN 0.256 nan 8.230 nan 0.000 0.433 885 F N -0.369 119.531 119.950 -0.083 0.000 2.126 885 F HA -0.265 4.264 4.527 0.003 0.000 0.299 885 F C 1.853 177.490 175.800 -0.272 0.000 1.096 885 F CA 1.840 59.712 58.000 -0.213 0.000 1.255 885 F CB -0.409 38.345 39.000 -0.410 0.000 0.997 885 F HN 0.117 nan 8.300 nan 0.000 0.479 886 F N -2.551 117.354 119.950 -0.076 0.000 2.473 886 F HA 0.013 4.542 4.527 0.003 0.000 0.294 886 F C 0.217 175.966 175.800 -0.085 0.000 1.103 886 F CA 0.433 58.338 58.000 -0.159 0.000 1.442 886 F CB -0.132 38.812 39.000 -0.093 0.000 1.097 886 F HN -0.129 nan 8.300 nan 0.000 0.547 887 Y N 1.663 121.940 120.300 -0.038 0.000 2.681 887 Y HA 0.424 4.976 4.550 0.003 0.000 0.347 887 Y C -2.744 173.157 175.900 0.002 0.000 1.029 887 Y CA -3.817 54.285 58.100 0.002 0.000 1.279 887 Y CB 0.359 38.868 38.460 0.082 0.000 1.096 887 Y HN -0.191 nan 8.280 nan 0.000 0.580 888 P HA -0.066 nan 4.420 nan 0.000 0.267 888 P C -0.973 176.209 177.300 -0.196 0.000 1.201 888 P CA 0.208 63.208 63.100 -0.167 0.000 0.775 888 P CB 0.562 32.178 31.700 -0.140 0.000 0.854 889 Q N 1.864 121.636 119.800 -0.047 0.000 2.303 889 Q HA 0.408 4.750 4.340 0.003 0.000 0.257 889 Q C -1.435 174.576 176.000 0.018 0.000 0.941 889 Q CA -0.694 55.116 55.803 0.012 0.000 0.931 889 Q CB 0.333 29.109 28.738 0.064 0.000 1.215 889 Q HN 0.233 nan 8.270 nan 0.000 0.437 890 L N 6.198 127.436 121.223 0.024 0.000 2.295 890 L HA 0.382 4.724 4.340 0.003 0.000 0.281 890 L C -1.778 175.197 176.870 0.175 0.000 1.018 890 L CA -0.491 54.403 54.840 0.090 0.000 0.841 890 L CB 1.076 43.148 42.059 0.022 0.000 1.218 890 L HN 0.584 nan 8.230 nan 0.000 0.424 891 L N 7.455 128.798 121.223 0.200 0.000 2.295 891 L HA 0.592 4.935 4.340 0.003 0.000 0.285 891 L C -2.222 174.735 176.870 0.145 0.000 1.035 891 L CA -1.746 53.188 54.840 0.157 0.000 0.806 891 L CB 1.311 43.427 42.059 0.096 0.000 1.214 891 L HN 0.461 nan 8.230 nan 0.000 0.426 892 P HA 0.221 nan 4.420 nan 0.000 0.287 892 P C 0.234 177.350 177.300 -0.307 0.000 1.281 892 P CA -0.342 62.534 63.100 -0.373 0.000 0.781 892 P CB 1.974 33.491 31.700 -0.305 0.000 0.903 893 I N 3.242 123.647 120.570 -0.275 0.000 3.339 893 I HA -0.075 4.097 4.170 0.003 0.000 0.285 893 I C 2.462 178.427 176.117 -0.254 0.000 1.201 893 I CA 0.840 62.033 61.300 -0.178 0.000 1.434 893 I CB -1.512 36.461 38.000 -0.046 0.000 1.152 893 I HN 0.509 nan 8.210 nan 0.000 0.443 894 H N -0.078 118.825 119.070 -0.278 0.000 2.387 894 H HA -0.087 4.471 4.556 0.004 0.000 0.299 894 H C 1.680 176.884 175.328 -0.207 0.000 1.090 894 H CA 1.710 57.615 56.048 -0.238 0.000 1.332 894 H CB -1.125 28.534 29.762 -0.172 0.000 1.386 894 H HN 0.186 nan 8.280 nan 0.000 0.516 895 T N 0.966 114.973 114.554 -0.912 0.000 3.252 895 T HA 0.157 4.509 4.350 0.003 0.000 0.250 895 T C 0.721 175.254 174.700 -0.278 0.000 1.123 895 T CA -0.320 61.472 62.100 -0.513 0.000 1.006 895 T CB -0.909 67.629 68.868 -0.550 0.000 0.992 895 T HN 0.174 nan 8.240 nan 0.000 0.547 896 L N 2.326 123.389 121.223 -0.266 0.000 2.499 896 L HA 0.130 4.472 4.340 0.003 0.000 0.273 896 L C 0.500 177.370 176.870 0.001 0.000 1.195 896 L CA -0.132 54.629 54.840 -0.132 0.000 0.882 896 L CB 0.418 42.391 42.059 -0.143 0.000 1.133 896 L HN 0.243 nan 8.230 nan 0.000 0.483 897 D N 3.583 123.999 120.400 0.026 0.000 2.371 897 D HA 0.112 4.755 4.640 0.003 0.000 0.256 897 D C -0.240 176.134 176.300 0.123 0.000 1.193 897 D CA -0.330 53.709 54.000 0.065 0.000 0.881 897 D CB 1.218 42.038 40.800 0.033 0.000 1.143 897 D HN 0.105 nan 8.370 nan 0.000 0.473 898 V N 3.620 123.630 119.914 0.161 0.000 3.096 898 V HA -0.030 4.093 4.120 0.003 0.000 0.306 898 V C 0.871 176.997 176.094 0.054 0.000 1.088 898 V CA -0.767 61.613 62.300 0.134 0.000 1.129 898 V CB 0.477 32.297 31.823 -0.006 0.000 1.014 898 V HN 0.633 nan 8.190 nan 0.000 0.486 899 K N 3.250 123.669 120.400 0.032 0.000 4.546 899 K HA -0.224 4.098 4.320 0.003 0.000 0.278 899 K C 0.364 176.974 176.600 0.017 0.000 0.746 899 K CA 1.308 57.606 56.287 0.017 0.000 0.826 899 K CB -1.145 31.350 32.500 -0.008 0.000 1.996 899 K HN 1.491 nan 8.250 nan 0.000 0.387 900 S N -0.181 115.534 115.700 0.025 0.000 4.687 900 S HA -0.030 4.442 4.470 0.003 0.000 0.039 900 S C 0.159 174.774 174.600 0.025 0.000 0.861 900 S CA -0.139 58.073 58.200 0.021 0.000 0.899 900 S CB -1.334 61.876 63.200 0.018 0.000 0.359 900 S HN 0.400 nan 8.310 nan 0.000 0.802 901 T N 2.113 116.685 114.554 0.031 0.000 2.729 901 T HA 0.662 5.014 4.350 0.003 0.000 0.298 901 T C 0.697 175.411 174.700 0.025 0.000 1.013 901 T CA 0.151 62.270 62.100 0.030 0.000 0.957 901 T CB 0.898 69.789 68.868 0.039 0.000 1.130 901 T HN 0.711 nan 8.240 nan 0.000 0.526 902 M N 0.936 120.550 119.600 0.024 0.000 5.606 902 M HA 0.270 4.752 4.480 0.003 0.000 0.670 902 M C -1.571 174.744 176.300 0.024 0.000 2.382 902 M CA -0.181 55.133 55.300 0.022 0.000 0.309 902 M CB -0.050 32.562 32.600 0.020 0.000 1.444 902 M HN 0.459 nan 8.290 nan 0.000 0.710 903 L N 2.033 123.271 121.223 0.025 0.000 2.445 903 L HA -0.044 4.298 4.340 0.003 0.000 0.598 903 L C -2.280 174.604 176.870 0.022 0.000 1.000 903 L CA 0.180 55.036 54.840 0.027 0.000 1.297 903 L CB -0.421 41.657 42.059 0.032 0.000 1.925 903 L HN 0.405 nan 8.230 nan 0.000 0.950 904 P HA 0.298 nan 4.420 nan 0.000 0.269 904 P C -0.267 177.047 177.300 0.022 0.000 1.217 904 P CA 0.291 63.394 63.100 0.005 0.000 0.783 904 P CB 0.564 32.250 31.700 -0.023 0.000 0.898 905 A N 1.800 124.632 122.820 0.022 0.000 2.511 905 A HA 0.428 4.750 4.320 0.003 0.000 0.242 905 A C 0.791 178.410 177.584 0.058 0.000 1.069 905 A CA 0.041 52.101 52.037 0.039 0.000 0.763 905 A CB -0.519 18.502 19.000 0.034 0.000 1.001 905 A HN 0.712 nan 8.150 nan 0.000 0.498 906 A N 1.997 124.862 122.820 0.074 0.000 2.425 906 A HA 0.516 4.839 4.320 0.003 0.000 0.242 906 A C 0.057 177.706 177.584 0.109 0.000 1.077 906 A CA -0.075 52.021 52.037 0.098 0.000 0.781 906 A CB 0.211 19.279 19.000 0.113 0.000 1.020 906 A HN 1.183 nan 8.150 nan 0.000 0.494 907 V N 3.018 123.006 119.914 0.124 0.000 2.680 907 V HA 0.316 4.439 4.120 0.003 0.000 0.309 907 V C 0.573 176.725 176.094 0.097 0.000 1.052 907 V CA -0.835 61.539 62.300 0.125 0.000 0.908 907 V CB 1.798 33.729 31.823 0.180 0.000 1.001 907 V HN 1.037 nan 8.190 nan 0.000 0.431 908 R N 1.456 122.015 120.500 0.099 0.000 2.644 908 R HA -0.053 4.289 4.340 0.003 0.000 0.265 908 R C 0.036 176.325 176.300 -0.017 0.000 0.985 908 R CA 0.095 56.259 56.100 0.106 0.000 1.097 908 R CB 0.098 30.457 30.300 0.099 0.000 0.931 908 R HN 0.719 nan 8.270 nan 0.000 0.419 909 C N 2.962 122.206 119.300 -0.095 0.000 3.424 909 C HA 0.144 4.606 4.460 0.003 0.000 0.577 909 C C 0.686 175.580 174.990 -0.160 0.000 1.086 909 C CA 0.221 59.085 59.018 -0.257 0.000 1.153 909 C CB -1.749 25.673 27.740 -0.530 0.000 1.411 909 C HN 0.512 nan 8.230 nan 0.000 0.636 910 S N 0.051 115.669 115.700 -0.136 0.000 2.569 910 S HA 0.310 4.782 4.470 0.003 0.000 0.280 910 S C 0.940 175.431 174.600 -0.182 0.000 1.111 910 S CA -0.562 57.568 58.200 -0.116 0.000 0.887 910 S CB 1.035 64.209 63.200 -0.043 0.000 1.095 910 S HN 0.732 nan 8.310 nan 0.000 0.476 911 E N 1.751 121.850 120.200 -0.169 0.000 2.204 911 E HA -0.094 4.258 4.350 0.003 0.000 0.194 911 E C 1.578 178.057 176.600 -0.203 0.000 0.989 911 E CA 1.537 57.808 56.400 -0.214 0.000 0.824 911 E CB -0.382 29.239 29.700 -0.132 0.000 0.756 911 E HN 0.601 nan 8.360 nan 0.000 0.477 912 S N 0.969 116.596 115.700 -0.122 0.000 2.420 912 S HA -0.117 4.355 4.470 0.003 0.000 0.237 912 S C 1.797 176.344 174.600 -0.087 0.000 1.023 912 S CA 0.676 58.829 58.200 -0.079 0.000 0.991 912 S CB -0.242 62.937 63.200 -0.036 0.000 0.792 912 S HN 0.163 nan 8.310 nan 0.000 0.488 913 R N 0.788 121.207 120.500 -0.135 0.000 2.356 913 R HA 0.443 4.785 4.340 0.003 0.000 0.234 913 R C -0.066 176.090 176.300 -0.241 0.000 0.929 913 R CA -0.062 55.979 56.100 -0.097 0.000 1.084 913 R CB -0.533 29.743 30.300 -0.040 0.000 1.105 913 R HN 0.475 nan 8.270 nan 0.000 0.515 914 L N 0.090 121.047 121.223 -0.443 0.000 2.343 914 L HA 0.353 4.696 4.340 0.003 0.000 0.275 914 L C 0.374 177.141 176.870 -0.171 0.000 1.056 914 L CA -0.498 53.882 54.840 -0.767 0.000 0.804 914 L CB 1.714 43.090 42.059 -1.138 0.000 1.203 914 L HN -0.125 nan 8.230 nan 0.000 0.440 915 S N 0.192 115.972 115.700 0.134 0.000 2.521 915 S HA 0.233 4.706 4.470 0.003 0.000 0.295 915 S C 0.580 175.340 174.600 0.267 0.000 1.098 915 S CA -0.643 57.672 58.200 0.191 0.000 0.999 915 S CB 1.529 64.829 63.200 0.166 0.000 1.034 915 S HN 0.719 nan 8.310 nan 0.000 0.483 916 E N 2.164 122.455 120.200 0.152 0.000 2.267 916 E HA -0.172 4.180 4.350 0.003 0.000 0.197 916 E C 0.810 177.398 176.600 -0.021 0.000 0.998 916 E CA 1.291 57.734 56.400 0.072 0.000 0.830 916 E CB 0.124 29.819 29.700 -0.009 0.000 0.751 916 E HN 0.742 nan 8.360 nan 0.000 0.491 917 E N 0.113 120.302 120.200 -0.019 0.000 2.447 917 E HA 0.102 4.454 4.350 0.003 0.000 0.195 917 E C 0.941 177.424 176.600 -0.196 0.000 1.028 917 E CA 0.019 56.368 56.400 -0.085 0.000 0.876 917 E CB 0.537 30.205 29.700 -0.052 0.000 0.885 917 E HN 0.031 nan 8.360 nan 0.000 0.500 918 G N 1.075 109.731 108.800 -0.240 0.000 2.511 918 G HA2 0.633 4.595 3.960 0.003 0.000 0.316 918 G HA3 0.633 4.595 3.960 0.003 0.000 0.316 918 G C -0.588 174.316 174.900 0.007 0.000 1.210 918 G CA -0.633 44.053 45.100 -0.690 0.000 0.969 918 G HN 0.015 nan 8.290 nan 0.000 0.492 919 I N 0.028 120.594 120.570 -0.007 0.000 2.512 919 I HA 0.354 4.526 4.170 0.003 0.000 0.287 919 I C -1.236 174.981 176.117 0.166 0.000 1.069 919 I CA -0.338 61.114 61.300 0.253 0.000 1.056 919 I CB 1.919 40.009 38.000 0.150 0.000 1.229 919 I HN 0.189 nan 8.210 nan 0.000 0.429 920 F N 5.573 125.771 119.950 0.412 0.000 2.575 920 F HA 0.609 5.138 4.527 0.003 0.000 0.330 920 F C -0.256 175.719 175.800 0.292 0.000 1.056 920 F CA -0.971 57.219 58.000 0.317 0.000 0.964 920 F CB 1.571 40.725 39.000 0.256 0.000 1.258 920 F HN 0.179 nan 8.300 nan 0.000 0.484 921 L N 2.907 124.376 121.223 0.410 0.000 2.343 921 L HA 0.553 4.895 4.340 0.003 0.000 0.278 921 L C -1.635 175.410 176.870 0.291 0.000 0.996 921 L CA -0.686 54.339 54.840 0.308 0.000 0.831 921 L CB 1.648 43.822 42.059 0.191 0.000 1.232 921 L HN 0.566 nan 8.230 nan 0.000 0.413 922 L N 4.997 126.414 121.223 0.323 0.000 2.349 922 L HA 0.842 5.184 4.340 0.003 0.000 0.278 922 L C -0.807 176.168 176.870 0.176 0.000 0.996 922 L CA -0.151 54.809 54.840 0.200 0.000 0.825 922 L CB 1.584 43.709 42.059 0.110 0.000 1.243 922 L HN 0.692 nan 8.230 nan 0.000 0.412 923 A N 3.263 126.139 122.820 0.093 0.000 2.422 923 A HA 0.515 4.838 4.320 0.003 0.000 0.302 923 A C -0.340 177.276 177.584 0.054 0.000 1.041 923 A CA -0.688 51.397 52.037 0.081 0.000 0.708 923 A CB 1.171 20.221 19.000 0.084 0.000 1.257 923 A HN 0.776 nan 8.150 nan 0.000 0.414 924 N N 1.173 119.916 118.700 0.072 0.000 2.187 924 N HA 0.292 5.034 4.740 0.003 0.000 0.212 924 N C 0.884 176.470 175.510 0.127 0.000 1.152 924 N CA 0.873 53.970 53.050 0.078 0.000 0.872 924 N CB 0.938 39.483 38.487 0.097 0.000 1.025 924 N HN 1.763 nan 8.380 nan 0.000 0.514 925 G N 0.317 109.184 108.800 0.111 0.000 2.232 925 G HA2 -0.245 3.717 3.960 0.003 0.000 0.226 925 G HA3 -0.245 3.717 3.960 0.003 0.000 0.226 925 G C 0.514 175.472 174.900 0.097 0.000 0.996 925 G CA 0.429 45.600 45.100 0.118 0.000 0.626 925 G HN 0.308 nan 8.290 nan 0.000 0.509 926 L N -0.537 120.721 121.223 0.059 0.000 2.586 926 L HA 0.459 4.801 4.340 0.003 0.000 0.204 926 L C 0.933 177.668 176.870 -0.224 0.000 1.053 926 L CA -0.126 54.656 54.840 -0.097 0.000 0.856 926 L CB 0.160 42.133 42.059 -0.144 0.000 1.192 926 L HN 0.149 nan 8.230 nan 0.000 0.484 927 H N 0.160 119.248 119.070 0.029 0.000 2.529 927 H HA 0.484 5.042 4.556 0.004 0.000 0.348 927 H C -1.053 174.160 175.328 -0.191 0.000 1.152 927 H CA -0.331 55.624 56.048 -0.155 0.000 1.202 927 H CB 2.563 32.196 29.762 -0.215 0.000 1.562 927 H HN -0.031 nan 8.280 nan 0.000 0.515 928 M N 3.665 123.154 119.600 -0.184 0.000 2.035 928 M HA 0.277 4.760 4.480 0.003 0.000 0.286 928 M C -1.745 174.466 176.300 -0.147 0.000 0.907 928 M CA -0.632 54.629 55.300 -0.065 0.000 0.935 928 M CB 0.427 33.026 32.600 -0.002 0.000 1.557 928 M HN 0.280 nan 8.290 nan 0.000 0.426 929 F N 4.271 124.260 119.950 0.065 0.000 2.394 929 F HA 0.473 5.002 4.527 0.003 0.000 0.340 929 F C -0.315 175.622 175.800 0.227 0.000 1.105 929 F CA -0.760 57.340 58.000 0.167 0.000 1.124 929 F CB 1.011 40.198 39.000 0.312 0.000 1.145 929 F HN 0.399 nan 8.300 nan 0.000 0.505 930 L N 4.672 126.113 121.223 0.363 0.000 2.313 930 L HA 0.357 4.699 4.340 0.003 0.000 0.273 930 L C -1.330 175.730 176.870 0.316 0.000 1.028 930 L CA -0.665 54.365 54.840 0.318 0.000 0.871 930 L CB 0.236 42.433 42.059 0.230 0.000 1.242 930 L HN 0.659 nan 8.230 nan 0.000 0.434 931 W N 6.585 127.959 121.300 0.124 0.000 2.316 931 W HA 0.612 5.274 4.660 0.003 0.000 0.311 931 W C -1.341 175.224 176.519 0.076 0.000 1.217 931 W CA -0.394 56.906 57.345 -0.075 0.000 1.199 931 W CB 0.880 30.123 29.460 -0.363 0.000 1.202 931 W HN 0.383 nan 8.180 nan 0.000 0.528 932 L N 6.759 127.624 121.223 -0.597 0.000 2.356 932 L HA 0.585 4.927 4.340 0.003 0.000 0.277 932 L C 0.807 177.084 176.870 -0.989 0.000 0.996 932 L CA -0.968 53.591 54.840 -0.467 0.000 0.822 932 L CB 1.464 43.417 42.059 -0.176 0.000 1.256 932 L HN 0.605 nan 8.230 nan 0.000 0.413 933 G N 0.921 109.254 108.800 -0.779 0.000 2.562 933 G HA2 0.393 4.355 3.960 0.003 0.000 0.275 933 G HA3 0.393 4.355 3.960 0.003 0.000 0.275 933 G C 1.108 175.619 174.900 -0.648 0.000 1.196 933 G CA -0.098 44.579 45.100 -0.705 0.000 0.908 933 G HN 0.530 nan 8.290 nan 0.000 0.524 934 V N -1.405 118.092 119.914 -0.696 0.000 2.270 934 V HA -0.058 4.065 4.120 0.003 0.000 0.245 934 V C 1.977 177.631 176.094 -0.733 0.000 1.043 934 V CA 2.023 63.685 62.300 -1.063 0.000 1.014 934 V CB -0.877 30.571 31.823 -0.625 0.000 0.645 934 V HN 0.423 nan 8.190 nan 0.000 0.447 935 S N 1.256 116.724 115.700 -0.387 0.000 3.033 935 S HA 0.200 4.672 4.470 0.003 0.000 0.258 935 S C 0.704 175.185 174.600 -0.198 0.000 1.207 935 S CA 0.443 58.498 58.200 -0.242 0.000 1.248 935 S CB -0.714 62.400 63.200 -0.143 0.000 0.932 935 S HN 0.604 nan 8.310 nan 0.000 0.472 936 S N 4.413 119.959 115.700 -0.257 0.000 2.455 936 S HA 0.200 4.672 4.470 0.003 0.000 0.278 936 S C -2.237 172.319 174.600 -0.074 0.000 1.216 936 S CA -1.808 56.307 58.200 -0.141 0.000 1.055 936 S CB 0.116 63.250 63.200 -0.110 0.000 0.939 936 S HN 0.246 nan 8.310 nan 0.000 0.494 937 P HA 0.000 nan 4.420 nan 0.000 0.257 937 P C -2.068 175.238 177.300 0.011 0.000 1.162 937 P CA -0.893 62.204 63.100 -0.005 0.000 0.762 937 P CB 0.156 31.869 31.700 0.021 0.000 0.753 938 P HA -0.158 nan 4.420 nan 0.000 0.222 938 P C 1.393 178.723 177.300 0.050 0.000 1.147 938 P CA 1.158 64.268 63.100 0.016 0.000 0.790 938 P CB 0.202 31.901 31.700 -0.002 0.000 0.780 939 E N 0.439 120.678 120.200 0.064 0.000 2.051 939 E HA -0.150 4.202 4.350 0.003 0.000 0.192 939 E C 2.136 178.822 176.600 0.144 0.000 0.991 939 E CA 1.051 57.511 56.400 0.100 0.000 0.799 939 E CB -0.445 29.323 29.700 0.113 0.000 0.748 939 E HN 0.182 nan 8.360 nan 0.000 0.449 940 L N 0.616 121.918 121.223 0.132 0.000 2.005 940 L HA -0.149 4.193 4.340 0.003 0.000 0.207 940 L C 2.686 179.662 176.870 0.177 0.000 1.072 940 L CA 0.952 55.880 54.840 0.146 0.000 0.744 940 L CB -0.497 41.593 42.059 0.052 0.000 0.895 940 L HN 0.226 nan 8.230 nan 0.000 0.433 941 I N -0.370 120.270 120.570 0.118 0.000 2.623 941 I HA -0.326 3.846 4.170 0.003 0.000 0.261 941 I C 2.492 178.716 176.117 0.178 0.000 1.204 941 I CA 1.207 62.562 61.300 0.092 0.000 1.444 941 I CB -0.281 37.684 38.000 -0.058 0.000 1.094 941 I HN 0.451 nan 8.210 nan 0.000 0.451 942 Q N 0.275 120.169 119.800 0.156 0.000 2.084 942 Q HA 0.000 4.342 4.340 0.003 0.000 0.194 942 Q C 2.227 178.329 176.000 0.170 0.000 0.969 942 Q CA 1.146 57.039 55.803 0.150 0.000 0.829 942 Q CB -0.336 28.467 28.738 0.109 0.000 0.904 942 Q HN 0.547 nan 8.270 nan 0.000 0.464 943 G N -0.081 108.825 108.800 0.177 0.000 2.916 943 G HA2 -0.041 3.921 3.960 0.003 0.000 0.205 943 G HA3 -0.041 3.921 3.960 0.003 0.000 0.205 943 G C 0.975 175.979 174.900 0.173 0.000 1.163 943 G CA 0.482 45.683 45.100 0.169 0.000 0.821 943 G HN 0.208 nan 8.290 nan 0.000 0.515 944 I N -2.298 118.399 120.570 0.211 0.000 4.046 944 I HA 0.254 4.426 4.170 0.003 0.000 0.285 944 I C 0.754 176.875 176.117 0.007 0.000 1.183 944 I CA 0.075 61.450 61.300 0.125 0.000 1.337 944 I CB 0.424 38.552 38.000 0.213 0.000 1.478 944 I HN 0.000 nan 8.210 nan 0.000 0.452 945 F N 0.944 120.917 119.950 0.037 0.000 2.639 945 F HA 0.328 4.857 4.527 0.004 0.000 0.302 945 F C 1.100 176.915 175.800 0.025 0.000 1.097 945 F CA -0.312 57.701 58.000 0.023 0.000 1.294 945 F CB -0.895 38.111 39.000 0.010 0.000 1.027 945 F HN 0.075 nan 8.300 nan 0.000 0.550 946 N N 0.357 119.175 118.700 0.196 0.000 2.717 946 N HA -0.198 4.544 4.740 0.003 0.000 0.248 946 N C -0.355 175.227 175.510 0.121 0.000 1.099 946 N CA 0.581 53.706 53.050 0.125 0.000 0.843 946 N CB -0.447 38.086 38.487 0.077 0.000 1.155 946 N HN 0.154 nan 8.380 nan 0.000 0.580 947 V N -2.798 117.210 119.914 0.158 0.000 2.547 947 V HA 0.487 4.609 4.120 0.003 0.000 0.299 947 V C -1.311 174.886 176.094 0.171 0.000 1.040 947 V CA -1.374 61.016 62.300 0.149 0.000 0.913 947 V CB 1.608 33.515 31.823 0.140 0.000 0.992 947 V HN -0.164 nan 8.190 nan 0.000 0.449 948 P HA -0.030 nan 4.420 nan 0.000 0.221 948 P C 0.584 177.892 177.300 0.013 0.000 1.150 948 P CA 1.438 64.621 63.100 0.138 0.000 0.800 948 P CB 0.338 32.132 31.700 0.155 0.000 0.787 949 S N -2.651 112.995 115.700 -0.090 0.000 2.697 949 S HA 0.364 4.836 4.470 0.003 0.000 0.289 949 S C 0.517 175.040 174.600 -0.129 0.000 1.149 949 S CA -0.777 57.291 58.200 -0.219 0.000 0.850 949 S CB 0.613 63.524 63.200 -0.482 0.000 1.151 949 S HN -0.076 nan 8.310 nan 0.000 0.491 950 F N 1.856 121.665 119.950 -0.234 0.000 2.051 950 F HA 0.118 4.647 4.527 0.003 0.000 0.296 950 F C 2.430 178.119 175.800 -0.185 0.000 1.122 950 F CA 2.134 59.996 58.000 -0.231 0.000 1.201 950 F CB -0.937 37.936 39.000 -0.212 0.000 0.978 950 F HN 0.755 nan 8.300 nan 0.000 0.472 951 A N -1.137 121.658 122.820 -0.041 0.000 2.225 951 A HA -0.190 4.132 4.320 0.003 0.000 0.215 951 A C 1.707 179.262 177.584 -0.048 0.000 1.164 951 A CA 1.503 53.480 52.037 -0.100 0.000 0.710 951 A CB -1.518 17.503 19.000 0.034 0.000 0.780 951 A HN 0.772 nan 8.150 nan 0.000 0.473 952 H N -1.331 117.640 119.070 -0.164 0.000 2.551 952 H HA 0.254 4.812 4.556 0.003 0.000 0.266 952 H C -0.016 175.215 175.328 -0.161 0.000 0.964 952 H CA -0.408 55.565 56.048 -0.126 0.000 1.180 952 H CB 0.227 29.944 29.762 -0.075 0.000 1.408 952 H HN 0.410 nan 8.280 nan 0.000 0.563 953 I N 1.268 121.736 120.570 -0.170 0.000 2.440 953 I HA 0.037 4.209 4.170 0.003 0.000 0.294 953 I C 0.260 176.275 176.117 -0.169 0.000 0.995 953 I CA -0.423 60.755 61.300 -0.203 0.000 1.306 953 I CB 1.025 38.759 38.000 -0.444 0.000 1.407 953 I HN 0.142 nan 8.210 nan 0.000 0.501 954 N N 3.314 121.972 118.700 -0.070 0.000 2.407 954 N HA 0.226 4.968 4.740 0.003 0.000 0.277 954 N C 0.535 176.032 175.510 -0.022 0.000 0.995 954 N CA -0.166 52.852 53.050 -0.053 0.000 0.903 954 N CB 1.848 40.323 38.487 -0.020 0.000 1.218 954 N HN 0.553 nan 8.380 nan 0.000 0.487 955 T N 1.204 115.734 114.554 -0.041 0.000 2.652 955 T HA -0.141 4.212 4.350 0.003 0.000 0.267 955 T C 0.594 175.303 174.700 0.015 0.000 1.039 955 T CA 1.200 63.295 62.100 -0.009 0.000 1.153 955 T CB -0.143 68.717 68.868 -0.014 0.000 0.863 955 T HN 0.555 nan 8.240 nan 0.000 0.428 956 D N 0.549 120.957 120.400 0.013 0.000 2.417 956 D HA -0.058 4.584 4.640 0.003 0.000 0.225 956 D C 0.503 176.820 176.300 0.029 0.000 0.983 956 D CA 0.645 54.660 54.000 0.024 0.000 0.949 956 D CB -0.150 40.670 40.800 0.034 0.000 0.879 956 D HN 0.283 nan 8.370 nan 0.000 0.520 957 M N 0.248 119.864 119.600 0.027 0.000 3.003 957 M HA 0.082 4.564 4.480 0.003 0.000 0.221 957 M C -0.268 176.042 176.300 0.016 0.000 1.126 957 M CA -0.185 55.132 55.300 0.029 0.000 0.778 957 M CB 0.589 33.217 32.600 0.047 0.000 1.380 957 M HN -0.383 nan 8.290 nan 0.000 0.508 958 T N 1.173 115.718 114.554 -0.015 0.000 3.467 958 T HA 0.264 4.616 4.350 0.003 0.000 0.232 958 T C -0.095 174.575 174.700 -0.049 0.000 0.876 958 T CA -0.129 61.959 62.100 -0.020 0.000 0.939 958 T CB -0.746 68.107 68.868 -0.025 0.000 1.165 958 T HN 0.291 nan 8.240 nan 0.000 0.615 959 L N 1.236 122.430 121.223 -0.049 0.000 2.352 959 L HA 0.529 4.871 4.340 0.003 0.000 0.269 959 L C -0.195 176.637 176.870 -0.064 0.000 1.034 959 L CA -1.180 53.626 54.840 -0.056 0.000 0.806 959 L CB 0.780 42.811 42.059 -0.046 0.000 1.244 959 L HN 0.232 nan 8.230 nan 0.000 0.447 960 L N 5.076 126.264 121.223 -0.057 0.000 2.667 960 L HA 0.138 4.480 4.340 0.003 0.000 0.278 960 L C -1.799 175.022 176.870 -0.081 0.000 1.217 960 L CA -0.711 54.088 54.840 -0.067 0.000 0.935 960 L CB -0.429 41.605 42.059 -0.041 0.000 1.193 960 L HN 0.542 nan 8.230 nan 0.000 0.493 961 P HA 0.298 nan 4.420 nan 0.000 0.300 961 P C -0.450 176.796 177.300 -0.089 0.000 1.375 961 P CA -0.583 62.440 63.100 -0.129 0.000 0.864 961 P CB 2.036 33.579 31.700 -0.262 0.000 0.958 962 E N 2.413 122.584 120.200 -0.049 0.000 3.365 962 E HA 0.211 4.563 4.350 0.003 0.000 0.512 962 E C 0.262 176.853 176.600 -0.016 0.000 0.257 962 E CA -0.311 56.072 56.400 -0.029 0.000 2.955 962 E CB 0.109 29.798 29.700 -0.018 0.000 2.314 962 E HN 0.110 nan 8.360 nan 0.000 0.394 963 V N -0.559 119.352 119.914 -0.005 0.000 0.691 963 V HA -0.346 3.776 4.120 0.003 0.000 0.092 963 V C 0.867 176.967 176.094 0.010 0.000 0.772 963 V CA 1.449 63.752 62.300 0.004 0.000 3.098 963 V CB -2.403 29.427 31.823 0.012 0.000 0.184 963 V HN 1.146 nan 8.190 nan 0.000 0.072 964 G N 0.516 109.329 108.800 0.021 0.000 3.490 964 G HA2 -0.274 3.688 3.960 0.003 0.000 0.646 964 G HA3 -0.274 3.688 3.960 0.003 0.000 0.646 964 G C 0.243 175.150 174.900 0.013 0.000 1.058 964 G CA 0.805 45.923 45.100 0.031 0.000 1.199 964 G HN 1.204 nan 8.290 nan 0.000 0.569 965 N N 1.979 120.675 118.700 -0.006 0.000 2.511 965 N HA 0.076 4.818 4.740 0.003 0.000 0.190 965 N C 0.123 175.604 175.510 -0.049 0.000 1.037 965 N CA 1.170 54.204 53.050 -0.025 0.000 0.895 965 N CB 0.323 38.789 38.487 -0.035 0.000 1.149 965 N HN 0.467 nan 8.380 nan 0.000 0.437 966 P HA 0.042 nan 4.420 nan 0.000 0.218 966 P C 1.000 178.230 177.300 -0.116 0.000 1.147 966 P CA 0.935 63.917 63.100 -0.198 0.000 0.863 966 P CB 0.202 31.657 31.700 -0.409 0.000 0.812 967 Y N -0.182 120.128 120.300 0.017 0.000 2.284 967 Y HA 0.049 4.601 4.550 0.003 0.000 0.293 967 Y C 3.063 178.971 175.900 0.013 0.000 1.140 967 Y CA 0.443 58.555 58.100 0.020 0.000 1.153 967 Y CB -0.602 37.879 38.460 0.035 0.000 1.114 967 Y HN -0.129 nan 8.280 nan 0.000 0.521 968 S N 0.266 116.076 115.700 0.183 0.000 2.423 968 S HA -0.270 4.203 4.470 0.003 0.000 0.238 968 S C 1.715 176.346 174.600 0.052 0.000 1.028 968 S CA 1.718 59.966 58.200 0.080 0.000 1.000 968 S CB -0.261 62.963 63.200 0.041 0.000 0.797 968 S HN 0.467 nan 8.310 nan 0.000 0.487 969 Q N -0.588 119.248 119.800 0.061 0.000 2.123 969 Q HA -0.013 4.329 4.340 0.003 0.000 0.196 969 Q C 2.311 178.343 176.000 0.053 0.000 0.958 969 Q CA 1.084 56.911 55.803 0.040 0.000 0.841 969 Q CB -0.232 28.521 28.738 0.025 0.000 0.915 969 Q HN 0.395 nan 8.270 nan 0.000 0.455 970 Q N 0.734 120.588 119.800 0.090 0.000 2.226 970 Q HA -0.128 4.214 4.340 0.003 0.000 0.204 970 Q C 1.717 177.762 176.000 0.075 0.000 0.975 970 Q CA 0.870 56.732 55.803 0.097 0.000 0.866 970 Q CB -0.056 28.783 28.738 0.169 0.000 0.915 970 Q HN 0.243 nan 8.270 nan 0.000 0.440 971 L N -0.451 120.814 121.223 0.070 0.000 2.095 971 L HA 0.048 4.390 4.340 0.003 0.000 0.204 971 L C 2.163 179.049 176.870 0.027 0.000 1.080 971 L CA 1.561 56.425 54.840 0.040 0.000 0.759 971 L CB -0.334 41.742 42.059 0.028 0.000 0.914 971 L HN 0.050 nan 8.230 nan 0.000 0.439 972 R N -0.791 119.721 120.500 0.020 0.000 2.120 972 R HA -0.181 4.161 4.340 0.003 0.000 0.234 972 R C 2.329 178.641 176.300 0.019 0.000 1.123 972 R CA 1.811 57.917 56.100 0.010 0.000 0.975 972 R CB -0.313 29.988 30.300 0.003 0.000 0.866 972 R HN 0.506 nan 8.270 nan 0.000 0.446 973 M N 0.861 120.477 119.600 0.027 0.000 2.067 973 M HA -0.159 4.323 4.480 0.003 0.000 0.260 973 M C 2.086 178.404 176.300 0.029 0.000 1.069 973 M CA 1.952 57.269 55.300 0.027 0.000 1.117 973 M CB -0.219 32.399 32.600 0.031 0.000 1.334 973 M HN 0.314 nan 8.290 nan 0.000 0.407 974 I N -1.425 119.165 120.570 0.033 0.000 2.315 974 I HA -0.250 3.922 4.170 0.003 0.000 0.248 974 I C 2.167 178.307 176.117 0.038 0.000 1.117 974 I CA 1.433 62.754 61.300 0.036 0.000 1.404 974 I CB -0.684 37.338 38.000 0.037 0.000 1.071 974 I HN 0.337 nan 8.210 nan 0.000 0.419 975 M N 1.649 121.271 119.600 0.036 0.000 2.202 975 M HA -0.067 4.415 4.480 0.003 0.000 0.262 975 M C 2.290 178.612 176.300 0.036 0.000 1.063 975 M CA 1.937 57.259 55.300 0.037 0.000 1.097 975 M CB -0.748 31.868 32.600 0.027 0.000 1.382 975 M HN 0.555 nan 8.290 nan 0.000 0.413 976 G N 0.399 109.217 108.800 0.031 0.000 2.394 976 G HA2 -0.163 3.799 3.960 0.003 0.000 0.214 976 G HA3 -0.163 3.799 3.960 0.003 0.000 0.214 976 G C 1.457 176.377 174.900 0.033 0.000 1.176 976 G CA 0.302 45.420 45.100 0.030 0.000 0.786 976 G HN 0.492 nan 8.290 nan 0.000 0.533 977 I N 0.321 120.910 120.570 0.032 0.000 2.454 977 I HA -0.071 4.101 4.170 0.003 0.000 0.254 977 I C 2.342 178.482 176.117 0.038 0.000 1.156 977 I CA 0.860 62.180 61.300 0.033 0.000 1.433 977 I CB -0.012 38.007 38.000 0.031 0.000 1.082 977 I HN 0.167 nan 8.210 nan 0.000 0.432 978 I N 0.458 121.054 120.570 0.043 0.000 2.286 978 I HA -0.254 3.919 4.170 0.003 0.000 0.245 978 I C 2.442 178.590 176.117 0.053 0.000 1.104 978 I CA 1.012 62.342 61.300 0.051 0.000 1.397 978 I CB -0.295 37.739 38.000 0.057 0.000 1.072 978 I HN 0.293 nan 8.210 nan 0.000 0.417 979 Q N 0.969 120.800 119.800 0.052 0.000 2.369 979 Q HA -0.196 4.146 4.340 0.003 0.000 0.206 979 Q C 1.904 177.935 176.000 0.051 0.000 0.963 979 Q CA 1.114 56.952 55.803 0.058 0.000 0.894 979 Q CB -0.046 28.726 28.738 0.057 0.000 0.965 979 Q HN 0.376 nan 8.270 nan 0.000 0.475 980 Q N 0.562 120.387 119.800 0.042 0.000 1.914 980 Q HA -0.258 4.084 4.340 0.003 0.000 0.222 980 Q C 1.102 177.121 176.000 0.032 0.000 1.031 980 Q CA 2.511 58.334 55.803 0.034 0.000 0.886 980 Q CB -0.077 28.678 28.738 0.029 0.000 0.982 980 Q HN 0.262 nan 8.270 nan 0.000 0.417 981 K N 0.041 120.459 120.400 0.030 0.000 2.505 981 K HA 0.033 4.355 4.320 0.003 0.000 0.192 981 K C -0.408 176.209 176.600 0.029 0.000 1.025 981 K CA -0.090 56.211 56.287 0.023 0.000 1.086 981 K CB 0.370 32.880 32.500 0.016 0.000 0.840 981 K HN 0.023 nan 8.250 nan 0.000 0.514 982 R N 1.147 121.674 120.500 0.045 0.000 2.221 982 R HA 0.101 4.443 4.340 0.003 0.000 0.327 982 R C -1.634 174.698 176.300 0.053 0.000 1.033 982 R CA -2.409 53.729 56.100 0.063 0.000 0.887 982 R CB 0.180 30.535 30.300 0.091 0.000 1.057 982 R HN -0.001 nan 8.270 nan 0.000 0.455 983 P HA -0.169 nan 4.420 nan 0.000 0.215 983 P C -0.162 177.058 177.300 -0.132 0.000 1.157 983 P CA 1.438 64.469 63.100 -0.115 0.000 0.868 983 P CB 0.106 31.652 31.700 -0.258 0.000 0.788 984 Y N 0.593 120.939 120.300 0.076 0.000 2.320 984 Y HA 0.269 4.821 4.550 0.004 0.000 0.324 984 Y C 1.320 177.299 175.900 0.130 0.000 1.190 984 Y CA -0.877 57.311 58.100 0.147 0.000 1.215 984 Y CB 0.467 38.978 38.460 0.084 0.000 1.221 984 Y HN -0.096 nan 8.280 nan 0.000 0.486 985 S N 3.092 118.981 115.700 0.314 0.000 2.465 985 S HA 0.454 4.926 4.470 0.003 0.000 0.279 985 S C -0.313 174.409 174.600 0.202 0.000 1.201 985 S CA -0.957 57.370 58.200 0.212 0.000 1.053 985 S CB 0.020 63.330 63.200 0.184 0.000 0.953 985 S HN 0.611 nan 8.310 nan 0.000 0.488 986 M N 2.909 122.588 119.600 0.132 0.000 2.252 986 M HA 0.152 4.634 4.480 0.003 0.000 0.333 986 M C 0.621 176.958 176.300 0.063 0.000 1.111 986 M CA 0.317 55.661 55.300 0.073 0.000 1.140 986 M CB 0.393 33.020 32.600 0.045 0.000 1.538 986 M HN 0.664 nan 8.290 nan 0.000 0.448 987 K N 3.233 123.648 120.400 0.025 0.000 2.267 987 K HA 0.273 4.595 4.320 0.003 0.000 0.282 987 K C -1.162 175.417 176.600 -0.035 0.000 1.078 987 K CA -0.673 55.641 56.287 0.044 0.000 0.903 987 K CB 0.621 33.181 32.500 0.099 0.000 1.111 987 K HN 0.482 nan 8.250 nan 0.000 0.475 988 L N 3.766 124.967 121.223 -0.036 0.000 2.426 988 L HA 0.216 4.558 4.340 0.003 0.000 0.271 988 L C -0.728 176.075 176.870 -0.113 0.000 1.169 988 L CA 1.120 55.914 54.840 -0.077 0.000 0.836 988 L CB 1.246 43.284 42.059 -0.036 0.000 1.112 988 L HN 0.653 nan 8.230 nan 0.000 0.465 989 T N 6.261 120.716 114.554 -0.165 0.000 3.170 989 T HA 0.458 4.811 4.350 0.003 0.000 0.315 989 T C -0.345 174.378 174.700 0.038 0.000 0.967 989 T CA -0.342 61.688 62.100 -0.116 0.000 1.024 989 T CB 0.439 69.132 68.868 -0.292 0.000 1.018 989 T HN 0.431 nan 8.240 nan 0.000 0.449 990 I N 3.345 123.963 120.570 0.081 0.000 2.441 990 I HA 0.453 4.625 4.170 0.003 0.000 0.287 990 I C -0.171 176.006 176.117 0.101 0.000 1.049 990 I CA -0.645 60.732 61.300 0.128 0.000 1.381 990 I CB 1.184 39.278 38.000 0.156 0.000 1.409 990 I HN 0.221 nan 8.210 nan 0.000 0.523 991 V N 6.631 126.583 119.914 0.065 0.000 2.487 991 V HA 0.325 4.447 4.120 0.003 0.000 0.298 991 V C -0.103 175.845 176.094 -0.243 0.000 1.028 991 V CA -0.968 61.311 62.300 -0.036 0.000 0.860 991 V CB 1.789 33.610 31.823 -0.003 0.000 0.991 991 V HN 0.616 nan 8.190 nan 0.000 0.427 992 K N 3.057 123.328 120.400 -0.215 0.000 2.211 992 K HA 0.335 4.657 4.320 0.003 0.000 0.275 992 K C 0.666 177.147 176.600 -0.199 0.000 1.024 992 K CA -0.343 55.808 56.287 -0.225 0.000 0.887 992 K CB 2.014 34.362 32.500 -0.255 0.000 1.084 992 K HN 0.787 nan 8.250 nan 0.000 0.463 993 Q N 2.807 122.393 119.800 -0.357 0.000 1.094 993 Q HA -0.223 4.119 4.340 0.003 0.000 0.742 993 Q C 0.067 176.057 176.000 -0.016 0.000 0.940 993 Q CA 1.423 57.049 55.803 -0.296 0.000 0.858 993 Q CB -0.040 28.472 28.738 -0.377 0.000 0.917 993 Q HN 0.443 nan 8.270 nan 0.000 0.281 994 R N 1.342 121.845 120.500 0.005 0.000 2.478 994 R HA -0.152 4.190 4.340 0.003 0.000 0.281 994 R C -0.737 175.592 176.300 0.049 0.000 0.939 994 R CA 0.799 56.922 56.100 0.037 0.000 1.120 994 R CB -0.036 30.271 30.300 0.013 0.000 0.885 994 R HN 0.423 nan 8.270 nan 0.000 0.415 995 E N 2.337 122.570 120.200 0.054 0.000 1.325 995 E HA -0.359 3.993 4.350 0.003 0.000 0.182 995 E C -0.148 176.479 176.600 0.045 0.000 0.989 995 E CA 0.605 57.036 56.400 0.051 0.000 0.491 995 E CB -0.337 29.387 29.700 0.041 0.000 1.032 995 E HN 0.473 nan 8.360 nan 0.000 0.254 996 Q N 0.102 119.931 119.800 0.049 0.000 3.331 996 Q HA 0.252 4.594 4.340 0.003 0.000 0.279 996 Q C -1.535 174.502 176.000 0.062 0.000 1.025 996 Q CA -0.850 54.974 55.803 0.035 0.000 0.743 996 Q CB -0.119 28.620 28.738 0.003 0.000 2.725 996 Q HN 0.141 nan 8.270 nan 0.000 0.380 997 P HA -0.105 nan 4.420 nan 0.000 0.226 997 P C 0.825 178.218 177.300 0.156 0.000 1.153 997 P CA 0.994 64.160 63.100 0.110 0.000 0.777 997 P CB 0.198 31.971 31.700 0.123 0.000 0.794 998 E N -0.035 120.259 120.200 0.156 0.000 2.368 998 E HA -0.279 4.073 4.350 0.003 0.000 0.222 998 E C 1.743 178.492 176.600 0.248 0.000 1.099 998 E CA 1.799 58.334 56.400 0.225 0.000 0.885 998 E CB -0.332 29.484 29.700 0.193 0.000 0.754 998 E HN 0.031 nan 8.360 nan 0.000 0.466 999 M N -0.124 119.576 119.600 0.166 0.000 2.108 999 M HA -0.201 4.281 4.480 0.003 0.000 0.257 999 M C 2.334 178.707 176.300 0.122 0.000 1.071 999 M CA 1.235 56.609 55.300 0.125 0.000 1.093 999 M CB -1.163 31.492 32.600 0.091 0.000 1.345 999 M HN 0.154 nan 8.290 nan 0.000 0.403 1000 V N -0.196 119.815 119.914 0.162 0.000 2.237 1000 V HA -0.279 3.843 4.120 0.003 0.000 0.245 1000 V C 2.196 178.378 176.094 0.147 0.000 1.046 1000 V CA 1.963 64.368 62.300 0.176 0.000 1.007 1000 V CB -1.031 30.959 31.823 0.278 0.000 0.638 1000 V HN 0.304 nan 8.190 nan 0.000 0.445 1001 F N 1.457 121.368 119.950 -0.065 0.000 2.063 1001 F HA -0.324 4.205 4.527 0.003 0.000 0.298 1001 F C 2.631 178.354 175.800 -0.128 0.000 1.105 1001 F CA 2.229 60.032 58.000 -0.328 0.000 1.215 1001 F CB -0.384 38.533 39.000 -0.139 0.000 0.972 1001 F HN -0.032 nan 8.300 nan 0.000 0.483 1002 R N -0.091 120.424 120.500 0.026 0.000 2.170 1002 R HA -0.233 4.109 4.340 0.003 0.000 0.242 1002 R C 2.177 178.352 176.300 -0.208 0.000 1.145 1002 R CA 1.790 57.833 56.100 -0.095 0.000 0.984 1002 R CB -0.488 29.829 30.300 0.029 0.000 0.869 1002 R HN 0.567 nan 8.270 nan 0.000 0.455 1003 Q N -0.665 119.011 119.800 -0.206 0.000 2.124 1003 Q HA -0.145 4.197 4.340 0.003 0.000 0.202 1003 Q C 1.328 177.024 176.000 -0.507 0.000 0.977 1003 Q CA 1.345 56.939 55.803 -0.349 0.000 0.850 1003 Q CB -0.047 28.426 28.738 -0.443 0.000 0.901 1003 Q HN 0.349 nan 8.270 nan 0.000 0.429 1004 F N 0.153 119.818 119.950 -0.475 0.000 2.802 1004 F HA 0.052 4.581 4.527 0.003 0.000 0.300 1004 F C 0.790 176.299 175.800 -0.484 0.000 1.168 1004 F CA 0.353 58.063 58.000 -0.482 0.000 1.433 1004 F CB 0.071 38.726 39.000 -0.574 0.000 1.115 1004 F HN -0.044 nan 8.300 nan 0.000 0.582 1005 L N 1.623 122.642 121.223 -0.341 0.000 2.533 1005 L HA 0.076 4.418 4.340 0.003 0.000 0.239 1005 L C 1.640 178.389 176.870 -0.201 0.000 1.376 1005 L CA -0.405 54.251 54.840 -0.307 0.000 1.240 1005 L CB -0.222 41.653 42.059 -0.307 0.000 1.487 1005 L HN 0.093 nan 8.230 nan 0.000 0.419 1006 V N -2.211 117.589 119.914 -0.190 0.000 2.944 1006 V HA -0.237 3.885 4.120 0.003 0.000 0.265 1006 V C 1.680 177.769 176.094 -0.009 0.000 1.125 1006 V CA 1.597 63.837 62.300 -0.101 0.000 1.145 1006 V CB -0.498 31.288 31.823 -0.061 0.000 0.725 1006 V HN 0.716 nan 8.190 nan 0.000 0.510 1007 E N 0.012 120.212 120.200 0.001 0.000 2.340 1007 E HA 0.039 4.391 4.350 0.003 0.000 0.194 1007 E C 0.377 177.020 176.600 0.071 0.000 0.996 1007 E CA 0.273 56.724 56.400 0.085 0.000 0.869 1007 E CB 0.150 29.916 29.700 0.110 0.000 0.835 1007 E HN 0.737 nan 8.360 nan 0.000 0.493 1008 D N 0.469 120.871 120.400 0.002 0.000 2.411 1008 D HA 0.063 4.705 4.640 0.003 0.000 0.251 1008 D C 0.957 177.256 176.300 -0.002 0.000 1.201 1008 D CA -0.059 53.938 54.000 -0.004 0.000 0.996 1008 D CB 0.822 41.598 40.800 -0.040 0.000 1.101 1008 D HN -0.140 nan 8.370 nan 0.000 0.504 1009 K N 0.293 120.693 120.400 0.000 0.000 2.148 1009 K HA 0.087 4.409 4.320 0.003 0.000 0.204 1009 K C 1.158 177.747 176.600 -0.019 0.000 1.050 1009 K CA 0.744 57.032 56.287 0.001 0.000 0.942 1009 K CB -0.209 32.294 32.500 0.005 0.000 0.724 1009 K HN 0.674 nan 8.250 nan 0.000 0.446 1015 S N -0.290 115.432 115.700 0.038 0.000 2.617 1015 S HA 0.684 5.156 4.470 0.003 0.000 0.283 1015 S C 0.664 175.306 174.600 0.071 0.000 1.189 1015 S CA 0.588 58.824 58.200 0.060 0.000 1.036 1015 S CB 1.394 64.653 63.200 0.099 0.000 1.014 1015 S HN 1.890 nan 8.310 nan 0.000 0.522 1016 S N 1.390 117.132 115.700 0.070 0.000 2.608 1016 S HA 0.138 4.610 4.470 0.003 0.000 0.261 1016 S C 0.774 175.471 174.600 0.162 0.000 1.314 1016 S CA -0.411 57.843 58.200 0.090 0.000 0.992 1016 S CB -0.239 62.996 63.200 0.058 0.000 0.935 1016 S HN 0.856 nan 8.310 nan 0.000 0.564 1017 Y N 1.901 122.235 120.300 0.057 0.000 2.151 1017 Y HA -0.154 4.398 4.550 0.004 0.000 0.284 1017 Y C 2.012 177.974 175.900 0.103 0.000 1.166 1017 Y CA 1.839 59.992 58.100 0.087 0.000 1.163 1017 Y CB -1.180 37.316 38.460 0.060 0.000 0.974 1017 Y HN 0.448 nan 8.280 nan 0.000 0.511 1018 V N 0.646 120.451 119.914 -0.182 0.000 2.343 1018 V HA -0.286 3.836 4.120 0.003 0.000 0.247 1018 V C 2.256 178.260 176.094 -0.151 0.000 1.051 1018 V CA 2.101 64.231 62.300 -0.285 0.000 1.036 1018 V CB -0.742 30.987 31.823 -0.156 0.000 0.654 1018 V HN 0.327 nan 8.190 nan 0.000 0.451 1019 D N -0.233 120.146 120.400 -0.035 0.000 2.092 1019 D HA -0.201 4.442 4.640 0.003 0.000 0.193 1019 D C 1.945 178.258 176.300 0.022 0.000 0.994 1019 D CA 1.530 55.531 54.000 0.001 0.000 0.828 1019 D CB -0.348 40.477 40.800 0.042 0.000 0.963 1019 D HN 0.438 nan 8.370 nan 0.000 0.450 1020 F N 1.507 121.431 119.950 -0.044 0.000 2.126 1020 F HA -0.155 4.374 4.527 0.003 0.000 0.299 1020 F C 2.288 178.061 175.800 -0.045 0.000 1.096 1020 F CA 1.026 59.015 58.000 -0.018 0.000 1.255 1020 F CB -0.457 38.568 39.000 0.042 0.000 0.997 1020 F HN -0.096 nan 8.300 nan 0.000 0.479 1021 L N -0.980 120.137 121.223 -0.178 0.000 2.042 1021 L HA -0.311 4.031 4.340 0.003 0.000 0.210 1021 L C 2.742 179.464 176.870 -0.247 0.000 1.076 1021 L CA 1.639 56.313 54.840 -0.276 0.000 0.749 1021 L CB -0.729 41.122 42.059 -0.347 0.000 0.893 1021 L HN 0.385 nan 8.230 nan 0.000 0.432 1022 C N -0.928 118.260 119.300 -0.188 0.000 2.422 1022 C HA -0.207 4.255 4.460 0.003 0.000 0.279 1022 C C 3.211 178.137 174.990 -0.106 0.000 1.305 1022 C CA 0.877 59.825 59.018 -0.117 0.000 1.757 1022 C CB -1.003 26.684 27.740 -0.088 0.000 1.962 1022 C HN 0.801 nan 8.230 nan 0.000 0.499 1023 C N -0.345 118.846 119.300 -0.181 0.000 2.476 1023 C HA -0.007 4.455 4.460 0.003 0.000 0.278 1023 C C 2.716 177.569 174.990 -0.229 0.000 1.274 1023 C CA 1.611 60.519 59.018 -0.183 0.000 1.713 1023 C CB -1.311 26.319 27.740 -0.183 0.000 2.039 1023 C HN 0.478 nan 8.230 nan 0.000 0.484 1024 V N 0.780 120.455 119.914 -0.398 0.000 2.282 1024 V HA -0.279 3.843 4.120 0.003 0.000 0.249 1024 V C 2.595 178.611 176.094 -0.131 0.000 1.057 1024 V CA 2.548 64.659 62.300 -0.316 0.000 1.032 1024 V CB -1.243 30.338 31.823 -0.402 0.000 0.645 1024 V HN 0.689 nan 8.190 nan 0.000 0.447 1025 H N 0.430 119.386 119.070 -0.189 0.000 2.422 1025 H HA -0.166 4.392 4.556 0.003 0.000 0.298 1025 H C 2.412 177.680 175.328 -0.101 0.000 1.098 1025 H CA 1.838 57.811 56.048 -0.125 0.000 1.315 1025 H CB 0.224 29.918 29.762 -0.115 0.000 1.382 1025 H HN 0.447 nan 8.280 nan 0.000 0.523 1026 K N 0.489 120.820 120.400 -0.115 0.000 2.002 1026 K HA -0.165 4.157 4.320 0.003 0.000 0.209 1026 K C 2.113 178.624 176.600 -0.149 0.000 1.048 1026 K CA 1.672 57.875 56.287 -0.141 0.000 0.930 1026 K CB -0.102 32.349 32.500 -0.081 0.000 0.714 1026 K HN 0.297 nan 8.250 nan 0.000 0.438 1027 E N 0.734 120.864 120.200 -0.117 0.000 2.338 1027 E HA -0.060 4.292 4.350 0.003 0.000 0.197 1027 E C 1.728 178.266 176.600 -0.104 0.000 1.007 1027 E CA 0.331 56.676 56.400 -0.091 0.000 0.849 1027 E CB 0.056 29.720 29.700 -0.060 0.000 0.774 1027 E HN 0.246 nan 8.360 nan 0.000 0.506 1028 I N -0.511 119.974 120.570 -0.141 0.000 2.500 1028 I HA -0.245 3.927 4.170 0.003 0.000 0.252 1028 I C 1.444 177.454 176.117 -0.179 0.000 1.142 1028 I CA 0.492 61.710 61.300 -0.137 0.000 1.451 1028 I CB 0.165 38.098 38.000 -0.113 0.000 1.093 1028 I HN 0.261 nan 8.210 nan 0.000 0.430 1029 C N 0.140 119.285 119.300 -0.259 0.000 2.457 1029 C HA -0.090 4.372 4.460 0.003 0.000 0.278 1029 C C 2.661 177.564 174.990 -0.145 0.000 1.309 1029 C CA 0.245 59.119 59.018 -0.241 0.000 1.735 1029 C CB -0.843 26.710 27.740 -0.312 0.000 1.992 1029 C HN 0.508 nan 8.230 nan 0.000 0.493 1030 Q N 0.851 120.577 119.800 -0.124 0.000 2.096 1030 Q HA -0.037 4.306 4.340 0.003 0.000 0.204 1030 Q C 1.572 177.530 176.000 -0.070 0.000 0.982 1030 Q CA 1.129 56.883 55.803 -0.081 0.000 0.850 1030 Q CB -0.502 28.198 28.738 -0.064 0.000 0.901 1030 Q HN 0.662 nan 8.270 nan 0.000 0.422 1031 L N 2.042 123.217 121.223 -0.080 0.000 2.933 1031 L HA 0.001 4.343 4.340 0.003 0.000 0.258 1031 L C 0.304 177.126 176.870 -0.080 0.000 1.253 1031 L CA -0.615 54.179 54.840 -0.076 0.000 1.096 1031 L CB -0.800 41.198 42.059 -0.102 0.000 1.432 1031 L HN 0.121 nan 8.230 nan 0.000 0.418 1032 L N 1.941 123.119 121.223 -0.074 0.000 4.983 1032 L HA -0.266 4.076 4.340 0.003 0.000 0.389 1032 L C 0.066 176.897 176.870 -0.065 0.000 1.252 1032 L CA 1.275 56.073 54.840 -0.069 0.000 0.889 1032 L CB -1.195 40.832 42.059 -0.053 0.000 1.498 1032 L HN 0.598 nan 8.230 nan 0.000 0.525 1033 N N 0.000 118.656 118.700 -0.074 0.000 1.763 1033 N HA 0.000 4.742 4.740 0.003 0.000 0.220 1033 N CA 0.000 53.010 53.050 -0.066 0.000 0.885 1033 N CB 0.000 38.447 38.487 -0.067 0.000 1.341 1033 N HN 0.000 nan 8.380 nan 0.000 0.667