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 3m6a_1_B DATA FIRST_RESID 246 DATA SEQUENCE TGEVQTLTEK IEEAGMPDHV KETALKELNR YEKIPSSSAE SSVIRNYIDW DATA SEQUENCE LVALPWTDET DDKLDLKEAG RLLDEEHHGL EKVKERILEY LAVQKLTKSL DATA SEQUENCE KGPILCLAGP PGVGKTSLAK SIAKSLGRKF VRISLGGXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXRII QGMKKAGKLN PVFLLDEIDK MSXXXXXXXX XAMLEVLDPE DATA SEQUENCE QNSSFSDHYI EETFDLSKVL FIATANNLAT IPGPLRDRME IINIAGYTEI DATA SEQUENCE EKLEIVKDHL LPKQIKEHGL KKSNLQLRDQ AILDIIRYYT REAGVRSLER DATA SEQUENCE QLAAICRKAA KAIVAEERKR ITVTEKNLQD FIGKRIFRYG QAETEDQVGV DATA SEQUENCE VTGLAYTTVG GDTLSIEVSL SPGKGKLILT GKLGDVMRES AQAAFSYVRS DATA SEQUENCE KTEELGIEPD FHEKYDIHIH VPEGAVPKDG PAAGITMATA LVSALTGRAV DATA SEQUENCE SREVGMTGEI TLRGRVLPIG GLKEKALGAH RAGLTTIIAP KDNEKDIEDI DATA SEQUENCE PESVREGLTF ILASHLDEVL EHALV 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 246 T HA 0.000 nan 4.350 nan 0.000 0.228 246 T C 0.000 174.707 174.700 0.011 0.000 1.109 246 T CA 0.000 62.106 62.100 0.010 0.000 1.349 246 T CB 0.000 68.874 68.868 0.010 0.000 0.612 247 G N 1.493 110.300 108.800 0.011 0.000 2.797 247 G HA2 -0.159 3.801 3.960 0.001 0.000 0.686 247 G HA3 -0.159 3.801 3.960 0.001 0.000 0.686 247 G C -0.167 174.742 174.900 0.015 0.000 1.452 247 G CA 0.130 45.238 45.100 0.013 0.000 0.986 247 G HN 0.653 nan 8.290 nan 0.000 0.595 248 E N 0.102 120.312 120.200 0.016 0.000 2.405 248 E HA 0.019 4.369 4.350 0.001 0.000 0.194 248 E C 2.267 178.880 176.600 0.021 0.000 1.149 248 E CA 0.594 57.006 56.400 0.019 0.000 0.933 248 E CB -0.143 29.569 29.700 0.019 0.000 1.028 248 E HN 0.869 nan 8.360 nan 0.000 0.487 249 V N -1.599 118.327 119.914 0.020 0.000 3.510 249 V HA -0.140 3.981 4.120 0.001 0.000 0.270 249 V C 1.576 177.682 176.094 0.021 0.000 1.201 249 V CA 1.264 63.577 62.300 0.022 0.000 1.166 249 V CB -0.603 31.232 31.823 0.020 0.000 0.825 249 V HN 0.304 nan 8.190 nan 0.000 0.484 250 Q N -1.274 118.538 119.800 0.020 0.000 2.459 250 Q HA 0.076 4.416 4.340 0.001 0.000 0.260 250 Q C 1.881 177.894 176.000 0.021 0.000 0.828 250 Q CA 0.700 56.515 55.803 0.019 0.000 0.987 250 Q CB -0.434 28.313 28.738 0.016 0.000 1.216 250 Q HN 0.327 nan 8.270 nan 0.000 0.558 251 T N 2.335 116.902 114.554 0.022 0.000 2.680 251 T HA -0.175 4.175 4.350 0.001 0.000 0.268 251 T C 1.695 176.412 174.700 0.028 0.000 1.033 251 T CA 1.935 64.049 62.100 0.024 0.000 1.152 251 T CB -0.208 68.674 68.868 0.024 0.000 0.859 251 T HN 0.206 nan 8.240 nan 0.000 0.452 252 L N 0.429 121.671 121.223 0.031 0.000 2.187 252 L HA 0.016 4.356 4.340 0.001 0.000 0.197 252 L C 3.141 180.031 176.870 0.034 0.000 1.090 252 L CA 1.351 56.214 54.840 0.037 0.000 0.781 252 L CB -1.527 40.557 42.059 0.042 0.000 0.956 252 L HN 0.322 nan 8.230 nan 0.000 0.463 253 T N -2.033 112.539 114.554 0.031 0.000 2.653 253 T HA -0.289 4.061 4.350 0.001 0.000 0.267 253 T C 1.703 176.415 174.700 0.020 0.000 1.037 253 T CA 1.704 63.820 62.100 0.025 0.000 1.159 253 T CB -0.519 68.362 68.868 0.023 0.000 0.859 253 T HN 0.219 nan 8.240 nan 0.000 0.449 254 E N 1.683 121.895 120.200 0.020 0.000 2.021 254 E HA -0.126 4.225 4.350 0.001 0.000 0.200 254 E C 2.236 178.846 176.600 0.017 0.000 1.015 254 E CA 1.500 57.910 56.400 0.017 0.000 0.824 254 E CB -0.376 29.334 29.700 0.017 0.000 0.762 254 E HN 0.648 nan 8.360 nan 0.000 0.454 255 K N 0.350 120.764 120.400 0.023 0.000 2.574 255 K HA -0.014 4.306 4.320 0.001 0.000 0.193 255 K C 2.073 178.689 176.600 0.026 0.000 1.035 255 K CA 0.238 56.541 56.287 0.027 0.000 0.982 255 K CB -0.046 32.474 32.500 0.035 0.000 0.795 255 K HN 0.178 nan 8.250 nan 0.000 0.491 256 I N 0.497 121.080 120.570 0.021 0.000 2.339 256 I HA -0.166 4.005 4.170 0.001 0.000 0.245 256 I C 2.371 178.481 176.117 -0.011 0.000 1.096 256 I CA 0.820 62.128 61.300 0.014 0.000 1.408 256 I CB -0.114 37.897 38.000 0.018 0.000 1.092 256 I HN 0.164 nan 8.210 nan 0.000 0.423 257 E N 2.143 122.336 120.200 -0.011 0.000 2.516 257 E HA -0.148 4.202 4.350 0.001 0.000 0.199 257 E C 0.794 177.381 176.600 -0.021 0.000 1.069 257 E CA 0.021 56.407 56.400 -0.024 0.000 0.876 257 E CB 0.035 29.728 29.700 -0.012 0.000 0.843 257 E HN 0.441 nan 8.360 nan 0.000 0.530 258 E N -0.500 119.695 120.200 -0.008 0.000 2.485 258 E HA -0.103 4.247 4.350 0.001 0.000 0.266 258 E C 0.948 177.543 176.600 -0.009 0.000 1.090 258 E CA 0.412 56.812 56.400 0.000 0.000 0.987 258 E CB 0.710 30.419 29.700 0.015 0.000 0.974 258 E HN 0.108 nan 8.360 nan 0.000 0.455 259 A N 3.895 126.716 122.820 0.002 0.000 1.927 259 A HA -0.140 4.181 4.320 0.001 0.000 0.220 259 A C 1.302 178.887 177.584 0.001 0.000 1.185 259 A CA 1.757 53.795 52.037 0.001 0.000 0.639 259 A CB -1.238 17.770 19.000 0.014 0.000 0.820 259 A HN 0.685 nan 8.150 nan 0.000 0.451 260 G N -2.658 106.154 108.800 0.020 0.000 2.432 260 G HA2 0.395 4.355 3.960 0.001 0.000 0.239 260 G HA3 0.395 4.355 3.960 0.001 0.000 0.239 260 G C 0.116 175.009 174.900 -0.013 0.000 1.291 260 G CA 0.265 45.390 45.100 0.043 0.000 0.863 260 G HN 0.741 nan 8.290 nan 0.000 0.560 261 M N 1.253 120.820 119.600 -0.056 0.000 2.995 261 M HA -0.137 4.344 4.480 0.001 0.000 0.191 261 M C -2.263 173.831 176.300 -0.345 0.000 1.069 261 M CA -0.021 55.115 55.300 -0.274 0.000 0.748 261 M CB -1.087 31.403 32.600 -0.184 0.000 1.622 261 M HN 0.472 nan 8.290 nan 0.000 0.747 262 P HA 0.042 nan 4.420 nan 0.000 0.213 262 P C 0.157 177.197 177.300 -0.433 0.000 1.176 262 P CA 0.717 63.649 63.100 -0.280 0.000 0.894 262 P CB 0.170 31.811 31.700 -0.098 0.000 0.771 263 D N -0.809 119.371 120.400 -0.366 0.000 2.648 263 D HA -0.091 4.549 4.640 0.001 0.000 0.229 263 D C 0.808 176.898 176.300 -0.351 0.000 1.119 263 D CA 0.854 54.697 54.000 -0.262 0.000 0.850 263 D CB 0.164 40.789 40.800 -0.292 0.000 1.169 263 D HN 0.234 nan 8.370 nan 0.000 0.489 264 H N 1.234 120.209 119.070 -0.158 0.000 2.547 264 H HA 0.082 4.639 4.556 0.001 0.000 0.272 264 H C 1.978 177.247 175.328 -0.098 0.000 0.971 264 H CA 0.105 56.081 56.048 -0.120 0.000 1.245 264 H CB 0.075 29.793 29.762 -0.073 0.000 1.440 264 H HN 0.214 nan 8.280 nan 0.000 0.540 265 V N 1.656 121.589 119.914 0.033 0.000 2.546 265 V HA -0.318 3.803 4.120 0.001 0.000 0.254 265 V C 2.097 178.190 176.094 -0.001 0.000 1.076 265 V CA 2.395 64.708 62.300 0.022 0.000 1.087 265 V CB -0.471 31.373 31.823 0.035 0.000 0.674 265 V HN 0.613 nan 8.190 nan 0.000 0.470 266 K N 0.285 120.630 120.400 -0.092 0.000 2.214 266 K HA 0.004 4.324 4.320 0.001 0.000 0.201 266 K C 2.037 178.592 176.600 -0.074 0.000 1.049 266 K CA 0.909 57.144 56.287 -0.086 0.000 0.978 266 K CB -0.405 31.933 32.500 -0.270 0.000 0.842 266 K HN 0.297 nan 8.250 nan 0.000 0.474 267 E N 0.987 121.100 120.200 -0.145 0.000 2.219 267 E HA -0.183 4.167 4.350 0.001 0.000 0.198 267 E C 1.131 177.713 176.600 -0.029 0.000 0.998 267 E CA 1.807 58.140 56.400 -0.111 0.000 0.818 267 E CB -0.113 29.483 29.700 -0.173 0.000 0.741 267 E HN 0.447 nan 8.360 nan 0.000 0.477 268 T N 0.404 114.956 114.554 -0.003 0.000 2.555 268 T HA -0.229 4.122 4.350 0.001 0.000 0.264 268 T C 1.885 176.603 174.700 0.030 0.000 1.083 268 T CA 1.720 63.832 62.100 0.021 0.000 1.179 268 T CB -0.535 68.350 68.868 0.030 0.000 0.863 268 T HN 0.355 nan 8.240 nan 0.000 0.412 269 A N 0.869 123.716 122.820 0.045 0.000 2.139 269 A HA -0.016 4.304 4.320 0.001 0.000 0.221 269 A C 2.196 179.822 177.584 0.069 0.000 1.159 269 A CA 1.106 53.182 52.037 0.065 0.000 0.662 269 A CB -0.907 18.157 19.000 0.106 0.000 0.796 269 A HN 0.472 nan 8.150 nan 0.000 0.463 270 L N -0.979 120.277 121.223 0.055 0.000 1.947 270 L HA -0.132 4.208 4.340 0.001 0.000 0.211 270 L C 2.526 179.424 176.870 0.047 0.000 1.098 270 L CA 1.785 56.659 54.840 0.057 0.000 0.767 270 L CB -0.663 41.406 42.059 0.016 0.000 0.891 270 L HN 0.368 nan 8.230 nan 0.000 0.436 271 K N 0.208 120.626 120.400 0.029 0.000 2.286 271 K HA -0.218 4.102 4.320 0.001 0.000 0.203 271 K C 1.773 178.399 176.600 0.043 0.000 1.045 271 K CA 1.339 57.644 56.287 0.031 0.000 0.935 271 K CB 0.066 32.577 32.500 0.019 0.000 0.737 271 K HN 0.317 nan 8.250 nan 0.000 0.460 272 E N 0.573 120.799 120.200 0.043 0.000 2.007 272 E HA -0.210 4.141 4.350 0.001 0.000 0.203 272 E C 1.811 178.468 176.600 0.096 0.000 1.020 272 E CA 1.572 58.004 56.400 0.053 0.000 0.845 272 E CB -0.184 29.543 29.700 0.044 0.000 0.779 272 E HN 0.287 nan 8.360 nan 0.000 0.466 273 L N 1.623 122.892 121.223 0.076 0.000 2.642 273 L HA -0.133 4.207 4.340 0.001 0.000 0.236 273 L C 2.118 179.042 176.870 0.091 0.000 1.169 273 L CA 0.020 54.908 54.840 0.080 0.000 0.851 273 L CB -0.472 41.491 42.059 -0.160 0.000 0.968 273 L HN 0.223 nan 8.230 nan 0.000 0.453 274 N N 1.326 120.080 118.700 0.089 0.000 2.240 274 N HA -0.111 4.630 4.740 0.001 0.000 0.187 274 N C 1.492 177.062 175.510 0.101 0.000 1.042 274 N CA 1.015 54.113 53.050 0.079 0.000 0.861 274 N CB 0.039 38.560 38.487 0.056 0.000 1.026 274 N HN 0.081 nan 8.380 nan 0.000 0.441 275 R N 0.066 120.612 120.500 0.078 0.000 2.500 275 R HA -0.097 4.243 4.340 0.001 0.000 0.212 275 R C 0.522 176.862 176.300 0.067 0.000 1.330 275 R CA -0.047 56.086 56.100 0.056 0.000 1.262 275 R CB -0.483 29.832 30.300 0.025 0.000 0.998 275 R HN 0.372 nan 8.270 nan 0.000 0.484 276 Y N 0.794 121.084 120.300 -0.016 0.000 3.287 276 Y HA -0.110 4.440 4.550 0.001 0.000 0.222 276 Y C 0.695 176.585 175.900 -0.017 0.000 0.849 276 Y CA 1.108 59.194 58.100 -0.022 0.000 0.934 276 Y CB 0.423 38.862 38.460 -0.034 0.000 1.133 276 Y HN -0.024 nan 8.280 nan 0.000 0.522 277 E N 0.774 121.221 120.200 0.412 0.000 3.351 277 E HA 0.088 4.438 4.350 0.001 0.000 0.220 277 E C 0.484 177.174 176.600 0.149 0.000 1.150 277 E CA -0.199 56.327 56.400 0.211 0.000 1.359 277 E CB 0.823 30.687 29.700 0.273 0.000 1.365 277 E HN 0.207 nan 8.360 nan 0.000 0.434 278 K N 0.800 121.261 120.400 0.101 0.000 2.360 278 K HA -0.061 4.260 4.320 0.001 0.000 0.201 278 K C 0.282 176.909 176.600 0.046 0.000 1.046 278 K CA 0.778 57.102 56.287 0.062 0.000 0.940 278 K CB -0.039 32.488 32.500 0.046 0.000 0.748 278 K HN 0.333 nan 8.250 nan 0.000 0.465 279 I N 2.501 123.097 120.570 0.043 0.000 2.312 279 I HA 0.211 4.382 4.170 0.001 0.000 0.291 279 I C -1.960 174.182 176.117 0.040 0.000 1.031 279 I CA -2.153 59.164 61.300 0.029 0.000 1.293 279 I CB 1.134 39.141 38.000 0.012 0.000 1.403 279 I HN 0.034 nan 8.210 nan 0.000 0.484 280 P HA 0.382 nan 4.420 nan 0.000 0.340 280 P C -0.054 177.260 177.300 0.024 0.000 1.299 280 P CA -0.420 62.694 63.100 0.024 0.000 0.813 280 P CB 0.400 32.111 31.700 0.018 0.000 1.911 281 S N -0.571 115.139 115.700 0.017 0.000 2.695 281 S HA 0.009 4.479 4.470 0.001 0.000 0.250 281 S C 0.979 175.588 174.600 0.014 0.000 1.355 281 S CA 0.001 58.209 58.200 0.014 0.000 0.965 281 S CB -0.763 62.443 63.200 0.010 0.000 0.987 281 S HN 0.476 nan 8.310 nan 0.000 0.576 282 S N 1.354 117.060 115.700 0.009 0.000 4.053 282 S HA 0.143 4.614 4.470 0.001 0.000 0.184 282 S C 0.445 175.047 174.600 0.003 0.000 1.324 282 S CA -0.469 57.734 58.200 0.005 0.000 0.956 282 S CB -1.078 62.123 63.200 0.002 0.000 1.503 282 S HN 0.588 nan 8.310 nan 0.000 0.440 283 S N 2.176 117.880 115.700 0.007 0.000 2.592 283 S HA 0.328 4.798 4.470 0.001 0.000 0.256 283 S C 1.721 176.320 174.600 -0.002 0.000 1.369 283 S CA 0.090 58.294 58.200 0.005 0.000 0.984 283 S CB 0.307 63.515 63.200 0.013 0.000 0.919 283 S HN 0.825 nan 8.310 nan 0.000 0.576 284 A N 1.773 124.591 122.820 -0.003 0.000 2.032 284 A HA -0.102 4.219 4.320 0.001 0.000 0.221 284 A C 2.020 179.595 177.584 -0.015 0.000 1.165 284 A CA 1.710 53.741 52.037 -0.010 0.000 0.645 284 A CB -0.626 18.369 19.000 -0.008 0.000 0.807 284 A HN 0.866 nan 8.150 nan 0.000 0.453 285 E N -0.585 119.611 120.200 -0.007 0.000 2.051 285 E HA -0.082 4.268 4.350 0.001 0.000 0.189 285 E C 2.034 178.617 176.600 -0.029 0.000 0.979 285 E CA 1.119 57.512 56.400 -0.012 0.000 0.803 285 E CB -0.848 28.863 29.700 0.019 0.000 0.761 285 E HN 0.502 nan 8.360 nan 0.000 0.451 286 S N 0.608 116.302 115.700 -0.011 0.000 2.595 286 S HA -0.041 4.429 4.470 0.001 0.000 0.235 286 S C 1.617 176.198 174.600 -0.031 0.000 0.974 286 S CA 0.669 58.861 58.200 -0.014 0.000 0.942 286 S CB -0.083 63.121 63.200 0.008 0.000 0.766 286 S HN 0.070 nan 8.310 nan 0.000 0.536 287 S N -0.200 115.478 115.700 -0.037 0.000 2.492 287 S HA 0.138 4.608 4.470 0.001 0.000 0.218 287 S C 1.530 176.092 174.600 -0.062 0.000 1.016 287 S CA 0.246 58.422 58.200 -0.041 0.000 0.916 287 S CB 0.169 63.349 63.200 -0.033 0.000 0.791 287 S HN 0.370 nan 8.310 nan 0.000 0.513 288 V N 3.029 122.897 119.914 -0.077 0.000 2.270 288 V HA -0.110 4.010 4.120 0.001 0.000 0.218 288 V C 2.156 178.187 176.094 -0.105 0.000 0.997 288 V CA 1.130 63.373 62.300 -0.095 0.000 1.019 288 V CB -0.647 31.113 31.823 -0.104 0.000 0.657 288 V HN 0.346 nan 8.190 nan 0.000 0.470 289 I N 0.438 120.910 120.570 -0.164 0.000 2.479 289 I HA -0.276 3.895 4.170 0.001 0.000 0.258 289 I C 2.591 178.655 176.117 -0.088 0.000 1.165 289 I CA 1.663 62.855 61.300 -0.180 0.000 1.422 289 I CB -1.515 36.230 38.000 -0.424 0.000 1.087 289 I HN 0.499 nan 8.210 nan 0.000 0.441 290 R N 1.259 121.706 120.500 -0.088 0.000 2.159 290 R HA -0.280 4.061 4.340 0.001 0.000 0.252 290 R C 2.146 178.436 176.300 -0.017 0.000 1.144 290 R CA 2.439 58.514 56.100 -0.043 0.000 0.961 290 R CB -0.270 30.007 30.300 -0.038 0.000 0.877 290 R HN 0.344 nan 8.270 nan 0.000 0.444 291 N N -0.448 118.227 118.700 -0.041 0.000 2.336 291 N HA -0.144 4.596 4.740 0.001 0.000 0.177 291 N C 1.499 176.969 175.510 -0.067 0.000 1.018 291 N CA 0.952 53.960 53.050 -0.070 0.000 0.878 291 N CB -0.320 38.073 38.487 -0.158 0.000 0.997 291 N HN 0.341 nan 8.380 nan 0.000 0.433 292 Y N 1.364 121.545 120.300 -0.199 0.000 2.271 292 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 292 Y C 2.270 178.158 175.900 -0.019 0.000 1.189 292 Y CA 1.377 59.385 58.100 -0.154 0.000 1.229 292 Y CB -0.105 38.282 38.460 -0.121 0.000 0.973 292 Y HN 0.134 nan 8.280 nan 0.000 0.537 293 I N -0.607 120.095 120.570 0.220 0.000 2.406 293 I HA -0.247 3.924 4.170 0.001 0.000 0.249 293 I C 1.547 177.768 176.117 0.174 0.000 1.122 293 I CA 1.835 63.257 61.300 0.203 0.000 1.431 293 I CB -0.202 37.876 38.000 0.129 0.000 1.087 293 I HN 0.176 nan 8.210 nan 0.000 0.424 294 D N 0.352 120.839 120.400 0.145 0.000 2.084 294 D HA -0.216 4.424 4.640 0.001 0.000 0.196 294 D C 1.707 178.170 176.300 0.272 0.000 0.985 294 D CA 1.367 55.473 54.000 0.177 0.000 0.826 294 D CB -0.304 40.589 40.800 0.154 0.000 0.978 294 D HN 0.371 nan 8.370 nan 0.000 0.456 295 W N 0.897 122.209 121.300 0.019 0.000 2.313 295 W HA -0.102 4.558 4.660 0.001 0.000 0.293 295 W C 2.063 178.602 176.519 0.035 0.000 1.216 295 W CA 0.520 57.864 57.345 -0.003 0.000 1.223 295 W CB -0.971 28.452 29.460 -0.061 0.000 1.138 295 W HN 0.083 nan 8.180 nan 0.000 0.535 296 L N -0.646 120.752 121.223 0.292 0.000 2.478 296 L HA -0.108 4.233 4.340 0.001 0.000 0.223 296 L C 1.813 178.850 176.870 0.277 0.000 1.140 296 L CA 0.353 55.361 54.840 0.280 0.000 0.842 296 L CB -0.150 42.069 42.059 0.266 0.000 0.953 296 L HN -0.247 nan 8.230 nan 0.000 0.452 297 V N -1.083 118.964 119.914 0.221 0.000 2.788 297 V HA -0.041 4.080 4.120 0.001 0.000 0.251 297 V C 2.375 178.580 176.094 0.186 0.000 1.068 297 V CA 1.318 63.730 62.300 0.185 0.000 1.090 297 V CB -0.232 31.675 31.823 0.139 0.000 0.710 297 V HN 0.453 nan 8.190 nan 0.000 0.467 298 A N 1.009 123.924 122.820 0.158 0.000 1.911 298 A HA 0.189 4.510 4.320 0.001 0.000 0.212 298 A C 1.139 178.789 177.584 0.111 0.000 1.189 298 A CA 0.143 52.244 52.037 0.107 0.000 0.639 298 A CB -0.528 18.499 19.000 0.044 0.000 0.839 298 A HN 0.542 nan 8.150 nan 0.000 0.449 299 L N 0.032 121.322 121.223 0.112 0.000 2.771 299 L HA 0.207 4.547 4.340 0.001 0.000 0.278 299 L C -2.745 174.107 176.870 -0.029 0.000 1.175 299 L CA -1.038 53.819 54.840 0.027 0.000 0.973 299 L CB -1.347 40.747 42.059 0.059 0.000 1.286 299 L HN -0.030 nan 8.230 nan 0.000 0.481 300 P HA 0.077 nan 4.420 nan 0.000 0.269 300 P C -0.496 176.567 177.300 -0.396 0.000 1.217 300 P CA 0.224 63.289 63.100 -0.058 0.000 0.783 300 P CB 0.464 32.158 31.700 -0.009 0.000 0.898 301 W N -1.624 119.695 121.300 0.031 0.000 5.121 301 W HA 0.058 4.718 4.660 0.001 0.000 0.165 301 W C 2.315 178.815 176.519 -0.032 0.000 3.238 301 W CA 0.416 57.732 57.345 -0.049 0.000 1.826 301 W CB -1.072 28.354 29.460 -0.056 0.000 1.395 301 W HN 0.067 nan 8.180 nan 0.000 0.911 302 T N 0.952 115.668 114.554 0.270 0.000 2.674 302 T HA -0.129 4.221 4.350 0.001 0.000 0.265 302 T C 0.458 175.218 174.700 0.100 0.000 1.039 302 T CA 1.698 63.881 62.100 0.139 0.000 1.150 302 T CB -0.723 68.208 68.868 0.105 0.000 0.864 302 T HN -0.086 nan 8.240 nan 0.000 0.427 303 D N 1.011 121.474 120.400 0.104 0.000 2.341 303 D HA 0.147 4.787 4.640 0.001 0.000 0.233 303 D C 0.378 176.709 176.300 0.051 0.000 1.270 303 D CA 0.855 54.897 54.000 0.070 0.000 0.883 303 D CB 0.397 41.238 40.800 0.070 0.000 1.207 303 D HN 0.424 nan 8.370 nan 0.000 0.471 304 E N -1.583 118.641 120.200 0.040 0.000 2.391 304 E HA 0.040 4.390 4.350 0.001 0.000 0.280 304 E C -1.516 175.102 176.600 0.031 0.000 1.240 304 E CA -0.483 55.936 56.400 0.033 0.000 1.007 304 E CB -0.092 29.627 29.700 0.031 0.000 1.262 304 E HN 0.307 nan 8.360 nan 0.000 0.397 305 T N 1.072 115.644 114.554 0.030 0.000 2.944 305 T HA 0.438 4.789 4.350 0.001 0.000 0.284 305 T C -1.252 173.464 174.700 0.027 0.000 1.010 305 T CA -0.547 61.571 62.100 0.029 0.000 1.025 305 T CB 0.714 69.602 68.868 0.033 0.000 1.079 305 T HN 0.295 nan 8.240 nan 0.000 0.516 306 D N 2.151 122.566 120.400 0.025 0.000 2.493 306 D HA 0.249 4.889 4.640 0.001 0.000 0.235 306 D C -0.504 175.809 176.300 0.022 0.000 1.117 306 D CA -0.447 53.567 54.000 0.022 0.000 0.930 306 D CB 0.225 41.037 40.800 0.019 0.000 1.010 306 D HN 0.286 nan 8.370 nan 0.000 0.514 307 D N 1.955 122.370 120.400 0.024 0.000 2.488 307 D HA -0.010 4.631 4.640 0.001 0.000 0.238 307 D C 0.445 176.757 176.300 0.021 0.000 1.138 307 D CA 0.478 54.494 54.000 0.026 0.000 0.873 307 D CB 0.997 41.813 40.800 0.027 0.000 1.183 307 D HN 0.029 nan 8.370 nan 0.000 0.458 308 K N 2.419 122.833 120.400 0.023 0.000 2.274 308 K HA 0.411 4.731 4.320 0.001 0.000 0.262 308 K C -0.228 176.386 176.600 0.022 0.000 0.961 308 K CA -0.627 55.672 56.287 0.020 0.000 0.833 308 K CB 1.533 34.044 32.500 0.019 0.000 1.102 308 K HN 0.327 nan 8.250 nan 0.000 0.436 309 L N 2.584 123.818 121.223 0.018 0.000 2.594 309 L HA 0.230 4.570 4.340 0.001 0.000 0.245 309 L C -0.153 176.726 176.870 0.015 0.000 1.460 309 L CA -0.536 54.315 54.840 0.018 0.000 0.865 309 L CB 0.786 42.852 42.059 0.013 0.000 1.131 309 L HN 0.378 nan 8.230 nan 0.000 0.506 310 D N 1.696 122.106 120.400 0.017 0.000 2.485 310 D HA 0.247 4.887 4.640 0.001 0.000 0.229 310 D C 1.192 177.502 176.300 0.016 0.000 1.101 310 D CA -0.309 53.700 54.000 0.014 0.000 0.906 310 D CB 1.029 41.836 40.800 0.013 0.000 1.019 310 D HN 0.292 nan 8.370 nan 0.000 0.516 311 L N 2.570 123.803 121.223 0.016 0.000 2.021 311 L HA -0.251 4.089 4.340 0.001 0.000 0.215 311 L C 2.347 179.227 176.870 0.017 0.000 1.074 311 L CA 1.124 55.975 54.840 0.018 0.000 0.760 311 L CB -0.470 41.599 42.059 0.016 0.000 0.889 311 L HN 0.295 nan 8.230 nan 0.000 0.433 312 K N 0.197 120.605 120.400 0.013 0.000 2.144 312 K HA -0.258 4.062 4.320 0.001 0.000 0.209 312 K C 1.657 178.265 176.600 0.013 0.000 1.047 312 K CA 1.761 58.054 56.287 0.011 0.000 0.927 312 K CB -0.028 32.477 32.500 0.009 0.000 0.716 312 K HN 0.315 nan 8.250 nan 0.000 0.454 313 E N -1.371 118.838 120.200 0.015 0.000 3.033 313 E HA 0.108 4.458 4.350 0.001 0.000 0.420 313 E C 1.390 178.004 176.600 0.023 0.000 0.478 313 E CA 1.074 57.484 56.400 0.017 0.000 2.555 313 E CB -0.395 29.314 29.700 0.016 0.000 1.927 313 E HN 0.167 nan 8.360 nan 0.000 0.499 314 A N -0.279 122.557 122.820 0.027 0.000 1.724 314 A HA -0.424 3.896 4.320 0.001 0.000 0.348 314 A C 2.342 179.948 177.584 0.037 0.000 4.921 314 A CA 3.633 55.691 52.037 0.035 0.000 1.023 314 A CB -2.525 16.498 19.000 0.037 0.000 0.540 314 A HN 0.726 nan 8.150 nan 0.000 0.472 315 G N -2.243 106.576 108.800 0.031 0.000 2.550 315 G HA2 -0.216 3.745 3.960 0.001 0.000 0.222 315 G HA3 -0.216 3.745 3.960 0.001 0.000 0.222 315 G C 1.270 176.188 174.900 0.029 0.000 1.113 315 G CA 1.766 46.883 45.100 0.028 0.000 0.748 315 G HN 0.595 nan 8.290 nan 0.000 0.585 316 R N -0.781 119.736 120.500 0.028 0.000 2.586 316 R HA 0.472 4.813 4.340 0.001 0.000 0.336 316 R C 1.606 177.926 176.300 0.033 0.000 1.060 316 R CA -0.171 55.945 56.100 0.028 0.000 1.079 316 R CB -0.188 30.123 30.300 0.018 0.000 1.317 316 R HN 0.437 nan 8.270 nan 0.000 0.568 317 L N -0.897 120.351 121.223 0.041 0.000 2.425 317 L HA 0.201 4.541 4.340 0.001 0.000 0.215 317 L C 1.133 178.053 176.870 0.082 0.000 1.065 317 L CA 0.514 55.382 54.840 0.047 0.000 0.842 317 L CB 0.167 42.249 42.059 0.039 0.000 1.033 317 L HN 0.163 nan 8.230 nan 0.000 0.474 318 L N 0.144 121.424 121.223 0.095 0.000 2.079 318 L HA -0.228 4.113 4.340 0.001 0.000 0.210 318 L C 1.366 178.338 176.870 0.170 0.000 1.081 318 L CA 1.384 56.314 54.840 0.151 0.000 0.752 318 L CB -0.765 41.339 42.059 0.074 0.000 0.896 318 L HN 0.317 nan 8.230 nan 0.000 0.433 319 D N -0.733 119.728 120.400 0.101 0.000 2.363 319 D HA -0.113 4.528 4.640 0.001 0.000 0.226 319 D C 1.902 178.275 176.300 0.121 0.000 1.020 319 D CA 0.434 54.489 54.000 0.091 0.000 0.892 319 D CB 0.210 41.034 40.800 0.040 0.000 0.900 319 D HN 0.369 nan 8.370 nan 0.000 0.531 320 E N 0.340 120.605 120.200 0.108 0.000 2.276 320 E HA -0.005 4.345 4.350 0.001 0.000 0.193 320 E C 0.628 177.287 176.600 0.097 0.000 0.983 320 E CA 0.467 56.908 56.400 0.068 0.000 0.861 320 E CB 0.370 30.079 29.700 0.016 0.000 0.817 320 E HN 0.169 nan 8.360 nan 0.000 0.485 321 E N -0.666 119.612 120.200 0.129 0.000 2.758 321 E HA 0.162 4.512 4.350 0.001 0.000 0.215 321 E C -1.155 175.254 176.600 -0.318 0.000 0.985 321 E CA -0.083 56.320 56.400 0.004 0.000 1.102 321 E CB 0.820 30.443 29.700 -0.128 0.000 1.042 321 E HN 0.171 nan 8.360 nan 0.000 0.480 322 H N -1.519 117.618 119.070 0.112 0.000 3.086 322 H HA 0.136 4.692 4.556 0.001 0.000 0.353 322 H C 0.078 175.358 175.328 -0.080 0.000 1.134 322 H CA -0.642 55.382 56.048 -0.041 0.000 1.248 322 H CB 1.133 30.907 29.762 0.019 0.000 1.878 322 H HN -0.019 nan 8.280 nan 0.000 0.527 323 H N 2.128 121.079 119.070 -0.199 0.000 2.435 323 H HA 0.010 4.567 4.556 0.001 0.000 0.309 323 H C 1.483 176.826 175.328 0.025 0.000 1.041 323 H CA 1.702 57.664 56.048 -0.144 0.000 1.277 323 H CB -0.094 29.521 29.762 -0.245 0.000 1.455 323 H HN 0.730 nan 8.280 nan 0.000 0.581 324 G N 0.601 109.494 108.800 0.155 0.000 2.830 324 G HA2 0.043 4.003 3.960 0.001 0.000 0.172 324 G HA3 0.043 4.003 3.960 0.001 0.000 0.172 324 G C 0.657 175.611 174.900 0.090 0.000 1.782 324 G CA 0.500 45.669 45.100 0.115 0.000 0.900 324 G HN 0.639 nan 8.290 nan 0.000 0.389 325 L N 0.173 121.473 121.223 0.128 0.000 3.970 325 L HA -0.255 4.085 4.340 0.001 0.000 0.425 325 L C 1.928 178.796 176.870 -0.003 0.000 1.162 325 L CA 0.669 55.529 54.840 0.034 0.000 0.968 325 L CB -1.502 40.571 42.059 0.023 0.000 1.896 325 L HN 0.545 nan 8.230 nan 0.000 1.006 326 E N 0.815 121.014 120.200 -0.003 0.000 2.035 326 E HA -0.262 4.088 4.350 0.001 0.000 0.204 326 E C 1.882 178.473 176.600 -0.015 0.000 1.025 326 E CA 2.046 58.437 56.400 -0.015 0.000 0.835 326 E CB -0.142 29.549 29.700 -0.015 0.000 0.764 326 E HN 0.490 nan 8.360 nan 0.000 0.457 327 K N 0.408 120.799 120.400 -0.016 0.000 2.103 327 K HA -0.132 4.188 4.320 0.001 0.000 0.207 327 K C 1.968 178.555 176.600 -0.021 0.000 1.048 327 K CA 1.114 57.390 56.287 -0.017 0.000 0.930 327 K CB -0.018 32.471 32.500 -0.019 0.000 0.716 327 K HN -0.000 nan 8.250 nan 0.000 0.444 328 V N 1.070 120.965 119.914 -0.032 0.000 2.515 328 V HA -0.203 3.917 4.120 0.001 0.000 0.250 328 V C 1.859 177.928 176.094 -0.042 0.000 1.058 328 V CA 1.619 63.893 62.300 -0.043 0.000 1.064 328 V CB -0.288 31.497 31.823 -0.063 0.000 0.675 328 V HN 0.297 nan 8.190 nan 0.000 0.461 329 K N 0.192 120.570 120.400 -0.036 0.000 2.044 329 K HA -0.150 4.170 4.320 0.001 0.000 0.204 329 K C 2.155 178.753 176.600 -0.005 0.000 1.049 329 K CA 1.218 57.489 56.287 -0.026 0.000 0.945 329 K CB -0.201 32.287 32.500 -0.020 0.000 0.724 329 K HN 0.289 nan 8.250 nan 0.000 0.440 330 E N 1.108 121.305 120.200 -0.004 0.000 2.284 330 E HA -0.197 4.154 4.350 0.001 0.000 0.200 330 E C 1.524 178.133 176.600 0.014 0.000 1.008 330 E CA 1.298 57.701 56.400 0.005 0.000 0.829 330 E CB 0.118 29.818 29.700 0.000 0.000 0.744 330 E HN 0.053 nan 8.360 nan 0.000 0.491 331 R N -0.514 119.993 120.500 0.011 0.000 2.334 331 R HA 0.143 4.483 4.340 0.001 0.000 0.212 331 R C 1.285 177.613 176.300 0.047 0.000 0.897 331 R CA 0.105 56.219 56.100 0.025 0.000 1.056 331 R CB 0.365 30.669 30.300 0.007 0.000 1.046 331 R HN 0.292 nan 8.270 nan 0.000 0.513 332 I N 0.370 120.962 120.570 0.035 0.000 2.852 332 I HA -0.105 4.065 4.170 0.001 0.000 0.264 332 I C 2.030 178.215 176.117 0.112 0.000 1.179 332 I CA 0.816 62.151 61.300 0.058 0.000 1.480 332 I CB -0.424 37.587 38.000 0.017 0.000 1.111 332 I HN 0.080 nan 8.210 nan 0.000 0.441 333 L N 0.402 121.669 121.223 0.074 0.000 2.127 333 L HA -0.064 4.276 4.340 0.001 0.000 0.203 333 L C 2.418 179.329 176.870 0.068 0.000 1.080 333 L CA 0.890 55.769 54.840 0.066 0.000 0.768 333 L CB -0.546 41.536 42.059 0.039 0.000 0.924 333 L HN 0.171 nan 8.230 nan 0.000 0.444 334 E N -0.026 120.215 120.200 0.068 0.000 2.114 334 E HA -0.308 4.042 4.350 0.001 0.000 0.199 334 E C 1.775 178.426 176.600 0.086 0.000 1.008 334 E CA 1.759 58.197 56.400 0.063 0.000 0.810 334 E CB -0.229 29.507 29.700 0.061 0.000 0.739 334 E HN 0.424 nan 8.360 nan 0.000 0.456 335 Y N 0.336 120.641 120.300 0.007 0.000 2.619 335 Y HA -0.042 4.508 4.550 0.001 0.000 0.308 335 Y C 1.239 177.149 175.900 0.016 0.000 1.192 335 Y CA 0.510 58.617 58.100 0.012 0.000 1.319 335 Y CB 0.179 38.649 38.460 0.016 0.000 1.030 335 Y HN -0.031 nan 8.280 nan 0.000 0.517 336 L N -2.448 118.792 121.223 0.027 0.000 2.638 336 L HA 0.239 4.579 4.340 0.001 0.000 0.195 336 L C 2.473 179.322 176.870 -0.035 0.000 1.065 336 L CA 0.673 55.505 54.840 -0.013 0.000 0.859 336 L CB -0.951 41.140 42.059 0.053 0.000 1.269 336 L HN -0.022 nan 8.230 nan 0.000 0.484 337 A N 0.124 122.938 122.820 -0.009 0.000 1.997 337 A HA -0.194 4.127 4.320 0.001 0.000 0.221 337 A C 2.253 179.816 177.584 -0.036 0.000 1.172 337 A CA 2.184 54.213 52.037 -0.014 0.000 0.645 337 A CB -0.848 18.151 19.000 -0.002 0.000 0.813 337 A HN 0.198 nan 8.150 nan 0.000 0.454 338 V N -0.434 119.447 119.914 -0.056 0.000 2.453 338 V HA -0.266 3.854 4.120 0.001 0.000 0.247 338 V C 2.691 178.710 176.094 -0.125 0.000 1.048 338 V CA 2.303 64.552 62.300 -0.084 0.000 1.049 338 V CB -0.526 31.239 31.823 -0.097 0.000 0.672 338 V HN 0.848 nan 8.190 nan 0.000 0.457 339 Q N 0.571 120.269 119.800 -0.170 0.000 2.020 339 Q HA -0.282 4.059 4.340 0.001 0.000 0.202 339 Q C 2.294 178.239 176.000 -0.091 0.000 0.982 339 Q CA 2.403 58.100 55.803 -0.176 0.000 0.838 339 Q CB -0.328 28.299 28.738 -0.185 0.000 0.899 339 Q HN 0.549 nan 8.270 nan 0.000 0.423 340 K N -0.140 120.224 120.400 -0.060 0.000 2.077 340 K HA -0.223 4.097 4.320 0.001 0.000 0.213 340 K C 2.026 178.606 176.600 -0.034 0.000 1.051 340 K CA 1.974 58.240 56.287 -0.035 0.000 0.929 340 K CB -0.269 32.218 32.500 -0.021 0.000 0.715 340 K HN 0.300 nan 8.250 nan 0.000 0.451 341 L N -0.013 121.187 121.223 -0.038 0.000 1.948 341 L HA -0.116 4.224 4.340 0.001 0.000 0.212 341 L C 1.234 178.083 176.870 -0.035 0.000 1.074 341 L CA 1.218 56.039 54.840 -0.032 0.000 0.753 341 L CB -0.803 41.238 42.059 -0.031 0.000 0.888 341 L HN 0.080 nan 8.230 nan 0.000 0.432 342 T N 2.026 116.552 114.554 -0.048 0.000 3.333 342 T HA -0.016 4.334 4.350 0.001 0.000 0.240 342 T C 1.225 175.898 174.700 -0.046 0.000 0.961 342 T CA -0.024 62.047 62.100 -0.048 0.000 1.215 342 T CB -0.061 68.770 68.868 -0.063 0.000 1.031 342 T HN 0.156 nan 8.240 nan 0.000 0.709 343 K N 1.213 121.594 120.400 -0.031 0.000 2.286 343 K HA -0.047 4.273 4.320 0.001 0.000 0.203 343 K C 0.726 177.313 176.600 -0.022 0.000 1.045 343 K CA 0.696 56.969 56.287 -0.024 0.000 0.935 343 K CB 0.082 32.573 32.500 -0.015 0.000 0.737 343 K HN 0.329 nan 8.250 nan 0.000 0.460 344 S N 0.992 116.677 115.700 -0.025 0.000 2.438 344 S HA 0.259 4.729 4.470 0.001 0.000 0.316 344 S C -0.165 174.417 174.600 -0.030 0.000 1.084 344 S CA -0.662 57.526 58.200 -0.020 0.000 1.107 344 S CB 1.369 64.560 63.200 -0.015 0.000 0.981 344 S HN 0.201 nan 8.310 nan 0.000 0.466 345 L N 5.018 126.227 121.223 -0.024 0.000 2.593 345 L HA 0.048 4.389 4.340 0.001 0.000 0.287 345 L C 0.405 177.261 176.870 -0.024 0.000 1.243 345 L CA 0.319 55.141 54.840 -0.029 0.000 0.890 345 L CB 0.254 42.322 42.059 0.015 0.000 1.134 345 L HN 0.603 nan 8.230 nan 0.000 0.502 346 K N 3.107 123.487 120.400 -0.034 0.000 2.166 346 K HA 0.487 4.807 4.320 0.001 0.000 0.245 346 K C 0.985 177.587 176.600 0.003 0.000 0.967 346 K CA -0.300 55.974 56.287 -0.021 0.000 0.863 346 K CB 1.245 33.728 32.500 -0.029 0.000 1.107 346 K HN 0.547 nan 8.250 nan 0.000 0.436 347 G N 1.328 110.123 108.800 -0.010 0.000 2.732 347 G HA2 -0.214 3.747 3.960 0.001 0.000 0.222 347 G HA3 -0.214 3.747 3.960 0.001 0.000 0.222 347 G C -1.419 173.490 174.900 0.014 0.000 1.203 347 G CA 0.582 45.672 45.100 -0.017 0.000 0.780 347 G HN 0.573 nan 8.290 nan 0.000 0.621 348 P HA 0.223 nan 4.420 nan 0.000 0.256 348 P C -0.412 176.981 177.300 0.154 0.000 1.189 348 P CA 0.246 63.394 63.100 0.081 0.000 0.808 348 P CB 0.054 31.812 31.700 0.097 0.000 0.793 349 I N 1.806 122.433 120.570 0.095 0.000 2.603 349 I HA 0.528 4.698 4.170 0.001 0.000 0.300 349 I C -0.537 175.589 176.117 0.014 0.000 1.017 349 I CA -1.511 59.849 61.300 0.101 0.000 1.098 349 I CB 1.099 39.164 38.000 0.109 0.000 1.279 349 I HN -0.108 nan 8.210 nan 0.000 0.437 350 L N 3.953 125.121 121.223 -0.090 0.000 2.360 350 L HA 0.687 5.028 4.340 0.001 0.000 0.271 350 L C 0.071 176.909 176.870 -0.054 0.000 1.057 350 L CA -0.826 53.945 54.840 -0.115 0.000 0.803 350 L CB 0.689 42.588 42.059 -0.267 0.000 1.207 350 L HN 0.911 nan 8.230 nan 0.000 0.445 351 C N 3.285 122.565 119.300 -0.033 0.000 2.355 351 C HA 0.748 5.209 4.460 0.001 0.000 0.332 351 C C 0.004 174.979 174.990 -0.025 0.000 1.255 351 C CA -0.705 58.305 59.018 -0.012 0.000 1.792 351 C CB 0.073 27.816 27.740 0.005 0.000 2.300 351 C HN 0.778 nan 8.230 nan 0.000 0.515 352 L N 5.478 126.691 121.223 -0.016 0.000 2.289 352 L HA 0.692 5.032 4.340 0.001 0.000 0.285 352 L C 0.441 177.308 176.870 -0.005 0.000 1.049 352 L CA 0.027 54.855 54.840 -0.019 0.000 0.804 352 L CB 1.255 43.305 42.059 -0.016 0.000 1.195 352 L HN 0.887 nan 8.230 nan 0.000 0.428 353 A N 2.392 125.207 122.820 -0.008 0.000 2.449 353 A HA 0.974 5.295 4.320 0.001 0.000 0.302 353 A C -0.285 177.297 177.584 -0.005 0.000 1.048 353 A CA -0.011 52.028 52.037 0.003 0.000 0.708 353 A CB 1.877 20.886 19.000 0.014 0.000 1.274 353 A HN 0.827 nan 8.150 nan 0.000 0.410 354 G N 0.819 109.615 108.800 -0.006 0.000 2.336 354 G HA2 0.484 4.445 3.960 0.001 0.000 0.300 354 G HA3 0.484 4.445 3.960 0.001 0.000 0.300 354 G C -3.599 171.282 174.900 -0.031 0.000 1.375 354 G CA -0.693 44.390 45.100 -0.029 0.000 0.885 354 G HN 0.581 nan 8.290 nan 0.000 0.599 355 P HA 0.208 nan 4.420 nan 0.000 0.266 355 P C -2.196 175.096 177.300 -0.012 0.000 1.193 355 P CA -0.570 62.505 63.100 -0.042 0.000 0.770 355 P CB 0.099 31.761 31.700 -0.062 0.000 0.836 356 P HA 0.051 nan 4.420 nan 0.000 0.272 356 P C 0.521 177.839 177.300 0.030 0.000 1.223 356 P CA 0.536 63.646 63.100 0.017 0.000 0.784 356 P CB 0.334 32.043 31.700 0.016 0.000 0.923 357 G N 1.056 109.883 108.800 0.046 0.000 2.142 357 G HA2 -0.184 3.776 3.960 0.001 0.000 0.225 357 G HA3 -0.184 3.776 3.960 0.001 0.000 0.225 357 G C 0.303 175.271 174.900 0.114 0.000 1.015 357 G CA 0.066 45.205 45.100 0.064 0.000 0.716 357 G HN 0.570 nan 8.290 nan 0.000 0.508 358 V N -4.043 115.943 119.914 0.120 0.000 3.604 358 V HA 0.710 4.830 4.120 0.001 0.000 0.277 358 V C 1.722 177.941 176.094 0.209 0.000 1.399 358 V CA 1.205 63.625 62.300 0.200 0.000 1.034 358 V CB 0.404 32.254 31.823 0.045 0.000 0.824 358 V HN 2.073 nan 8.190 nan 0.000 0.439 359 G N 0.691 109.577 108.800 0.143 0.000 2.227 359 G HA2 -0.209 3.751 3.960 0.001 0.000 0.168 359 G HA3 -0.209 3.751 3.960 0.001 0.000 0.168 359 G C 0.691 175.656 174.900 0.108 0.000 1.006 359 G CA 0.236 45.437 45.100 0.168 0.000 0.684 359 G HN 0.418 nan 8.290 nan 0.000 0.489 360 K N 0.335 120.772 120.400 0.062 0.000 2.015 360 K HA -0.168 4.152 4.320 0.001 0.000 0.220 360 K C 2.576 179.212 176.600 0.060 0.000 1.055 360 K CA 2.417 58.727 56.287 0.038 0.000 0.951 360 K CB -0.627 31.891 32.500 0.030 0.000 0.725 360 K HN 0.346 nan 8.250 nan 0.000 0.449 361 T N 0.557 115.154 114.554 0.071 0.000 2.635 361 T HA -0.233 4.117 4.350 0.001 0.000 0.267 361 T C 2.101 176.831 174.700 0.050 0.000 1.040 361 T CA 1.862 64.012 62.100 0.085 0.000 1.156 361 T CB -0.505 68.406 68.868 0.073 0.000 0.863 361 T HN 0.323 nan 8.240 nan 0.000 0.430 362 S N 0.729 116.469 115.700 0.067 0.000 2.370 362 S HA -0.052 4.419 4.470 0.001 0.000 0.226 362 S C 2.074 176.794 174.600 0.200 0.000 1.033 362 S CA 0.909 59.165 58.200 0.093 0.000 1.011 362 S CB -0.606 62.685 63.200 0.152 0.000 0.852 362 S HN 0.432 nan 8.310 nan 0.000 0.457 363 L N 0.874 122.208 121.223 0.185 0.000 2.043 363 L HA -0.168 4.173 4.340 0.001 0.000 0.212 363 L C 2.960 179.844 176.870 0.023 0.000 1.075 363 L CA 1.436 56.253 54.840 -0.038 0.000 0.752 363 L CB -0.896 41.055 42.059 -0.179 0.000 0.891 363 L HN 0.486 nan 8.230 nan 0.000 0.432 364 A N 0.084 122.934 122.820 0.050 0.000 1.841 364 A HA -0.268 4.052 4.320 0.001 0.000 0.216 364 A C 2.269 179.883 177.584 0.050 0.000 1.199 364 A CA 1.974 54.089 52.037 0.129 0.000 0.621 364 A CB -0.555 18.619 19.000 0.291 0.000 0.835 364 A HN 0.283 nan 8.150 nan 0.000 0.445 365 K N -0.607 119.604 120.400 -0.315 0.000 2.144 365 K HA -0.186 4.134 4.320 0.001 0.000 0.209 365 K C 2.388 178.853 176.600 -0.224 0.000 1.047 365 K CA 1.687 57.524 56.287 -0.751 0.000 0.927 365 K CB -0.211 31.798 32.500 -0.818 0.000 0.716 365 K HN 0.464 nan 8.250 nan 0.000 0.454 366 S N 0.114 115.778 115.700 -0.060 0.000 2.446 366 S HA -0.017 4.453 4.470 0.001 0.000 0.225 366 S C 1.800 176.432 174.600 0.053 0.000 1.016 366 S CA 0.327 58.549 58.200 0.035 0.000 0.943 366 S CB -0.023 63.288 63.200 0.186 0.000 0.786 366 S HN 0.124 nan 8.310 nan 0.000 0.508 367 I N 2.115 122.721 120.570 0.060 0.000 2.208 367 I HA -0.153 4.017 4.170 0.001 0.000 0.245 367 I C 2.510 178.683 176.117 0.093 0.000 1.097 367 I CA 1.506 62.853 61.300 0.078 0.000 1.363 367 I CB -0.548 37.506 38.000 0.090 0.000 1.051 367 I HN 0.356 nan 8.210 nan 0.000 0.413 368 A N -0.667 122.220 122.820 0.111 0.000 1.929 368 A HA -0.203 4.117 4.320 0.001 0.000 0.216 368 A C 2.349 179.981 177.584 0.079 0.000 1.176 368 A CA 1.471 53.586 52.037 0.130 0.000 0.628 368 A CB -0.518 18.624 19.000 0.236 0.000 0.816 368 A HN 0.331 nan 8.150 nan 0.000 0.444 369 K N -0.071 120.354 120.400 0.041 0.000 2.044 369 K HA -0.194 4.126 4.320 0.001 0.000 0.210 369 K C 2.374 178.995 176.600 0.035 0.000 1.049 369 K CA 1.740 58.041 56.287 0.023 0.000 0.927 369 K CB -0.228 32.271 32.500 -0.001 0.000 0.713 369 K HN 0.446 nan 8.250 nan 0.000 0.443 370 S N 0.139 115.865 115.700 0.044 0.000 2.359 370 S HA -0.120 4.350 4.470 0.001 0.000 0.224 370 S C 1.639 176.267 174.600 0.047 0.000 1.035 370 S CA 1.187 59.413 58.200 0.045 0.000 1.018 370 S CB -0.140 63.091 63.200 0.052 0.000 0.876 370 S HN 0.266 nan 8.310 nan 0.000 0.448 371 L N 1.603 122.862 121.223 0.060 0.000 2.610 371 L HA 0.310 4.651 4.340 0.001 0.000 0.232 371 L C 1.838 178.739 176.870 0.052 0.000 1.149 371 L CA 0.917 55.793 54.840 0.059 0.000 0.872 371 L CB -1.127 40.978 42.059 0.077 0.000 0.992 371 L HN 0.515 nan 8.230 nan 0.000 0.447 372 G N 0.180 109.009 108.800 0.049 0.000 2.258 372 G HA2 -0.362 3.599 3.960 0.001 0.000 0.274 372 G HA3 -0.362 3.599 3.960 0.001 0.000 0.274 372 G C 0.596 175.525 174.900 0.048 0.000 1.021 372 G CA 0.372 45.498 45.100 0.042 0.000 0.798 372 G HN 0.399 nan 8.290 nan 0.000 0.507 373 R N -0.328 120.210 120.500 0.063 0.000 2.500 373 R HA 0.517 4.857 4.340 0.001 0.000 0.275 373 R C 0.477 176.824 176.300 0.078 0.000 1.051 373 R CA -0.854 55.286 56.100 0.066 0.000 1.088 373 R CB 0.733 31.079 30.300 0.076 0.000 1.063 373 R HN -0.028 nan 8.270 nan 0.000 0.511 374 K N 1.411 121.848 120.400 0.062 0.000 2.219 374 K HA 0.131 4.451 4.320 0.001 0.000 0.258 374 K C -0.532 176.127 176.600 0.097 0.000 1.008 374 K CA 0.069 56.397 56.287 0.067 0.000 0.928 374 K CB 0.363 32.879 32.500 0.026 0.000 0.983 374 K HN 0.400 nan 8.250 nan 0.000 0.484 375 F N 0.844 120.760 119.950 -0.058 0.000 2.495 375 F HA 0.413 4.941 4.527 0.001 0.000 0.327 375 F C -0.972 174.735 175.800 -0.155 0.000 1.103 375 F CA -0.796 57.153 58.000 -0.085 0.000 0.949 375 F CB 1.330 40.294 39.000 -0.059 0.000 1.142 375 F HN 0.069 nan 8.300 nan 0.000 0.457 376 V N 6.343 125.636 119.914 -1.035 0.000 2.569 376 V HA 0.413 4.533 4.120 0.001 0.000 0.301 376 V C -0.425 175.062 176.094 -1.012 0.000 1.044 376 V CA -0.973 60.819 62.300 -0.846 0.000 0.874 376 V CB 1.602 32.893 31.823 -0.887 0.000 1.002 376 V HN 0.814 nan 8.190 nan 0.000 0.424 377 R N 5.051 125.226 120.500 -0.542 0.000 2.438 377 R HA 0.579 4.919 4.340 0.001 0.000 0.287 377 R C -0.746 175.349 176.300 -0.342 0.000 1.077 377 R CA -0.252 55.656 56.100 -0.321 0.000 1.034 377 R CB 0.867 31.133 30.300 -0.055 0.000 0.993 377 R HN 0.811 nan 8.270 nan 0.000 0.459 378 I N 3.127 123.532 120.570 -0.276 0.000 2.560 378 I HA 0.142 4.313 4.170 0.001 0.000 0.278 378 I C -1.109 174.951 176.117 -0.094 0.000 1.089 378 I CA -0.349 60.826 61.300 -0.209 0.000 1.086 378 I CB 1.648 39.499 38.000 -0.248 0.000 1.202 378 I HN 0.589 nan 8.210 nan 0.000 0.471 379 S N 6.815 122.476 115.700 -0.066 0.000 2.549 379 S HA 0.441 4.911 4.470 0.001 0.000 0.279 379 S C 0.347 174.942 174.600 -0.008 0.000 1.321 379 S CA -0.346 57.837 58.200 -0.028 0.000 1.054 379 S CB 0.669 63.856 63.200 -0.021 0.000 0.899 379 S HN 0.723 nan 8.310 nan 0.000 0.497 380 L N 5.077 126.305 121.223 0.007 0.000 3.154 380 L HA 0.322 4.662 4.340 0.001 0.000 0.266 380 L C 1.857 178.740 176.870 0.021 0.000 1.300 380 L CA -0.302 54.551 54.840 0.021 0.000 1.028 380 L CB -0.264 41.814 42.059 0.033 0.000 1.412 380 L HN 0.904 nan 8.230 nan 0.000 0.564 381 G N -0.003 108.807 108.800 0.016 0.000 2.509 381 G HA2 -0.027 3.933 3.960 0.001 0.000 0.218 381 G HA3 -0.027 3.933 3.960 0.001 0.000 0.218 381 G C 0.850 175.762 174.900 0.019 0.000 1.124 381 G CA 0.501 45.611 45.100 0.017 0.000 0.776 381 G HN 0.480 nan 8.290 nan 0.000 0.547 404 I N 1.869 122.471 120.570 0.053 0.000 2.617 404 I HA -0.106 4.064 4.170 0.001 0.000 0.256 404 I C 2.197 178.263 176.117 -0.086 0.000 1.167 404 I CA 0.837 62.164 61.300 0.045 0.000 1.469 404 I CB -0.923 37.016 38.000 -0.101 0.000 1.098 404 I HN 0.225 nan 8.210 nan 0.000 0.436 405 I N 1.086 121.594 120.570 -0.104 0.000 2.419 405 I HA -0.501 3.670 4.170 0.001 0.000 0.229 405 I C 2.630 178.561 176.117 -0.311 0.000 0.948 405 I CA 2.018 63.192 61.300 -0.210 0.000 1.247 405 I CB -1.128 36.759 38.000 -0.189 0.000 0.956 405 I HN 0.308 nan 8.210 nan 0.000 0.388 406 Q N 0.679 120.303 119.800 -0.293 0.000 1.956 406 Q HA -0.181 4.159 4.340 0.001 0.000 0.208 406 Q C 2.291 178.153 176.000 -0.229 0.000 0.998 406 Q CA 1.893 57.515 55.803 -0.302 0.000 0.855 406 Q CB -0.828 27.768 28.738 -0.237 0.000 0.928 406 Q HN 0.721 nan 8.270 nan 0.000 0.418 407 G N 1.369 110.067 108.800 -0.170 0.000 3.376 407 G HA2 -0.449 3.511 3.960 0.001 0.000 0.310 407 G HA3 -0.449 3.511 3.960 0.001 0.000 0.310 407 G C 1.209 176.045 174.900 -0.105 0.000 1.137 407 G CA 2.115 47.117 45.100 -0.163 0.000 1.061 407 G HN 0.256 nan 8.290 nan 0.000 1.152 408 M N 0.728 120.329 119.600 0.001 0.000 2.082 408 M HA -0.019 4.461 4.480 0.001 0.000 0.258 408 M C 2.383 178.610 176.300 -0.122 0.000 1.069 408 M CA 2.090 57.346 55.300 -0.074 0.000 1.102 408 M CB -0.524 31.949 32.600 -0.211 0.000 1.336 408 M HN 0.399 nan 8.290 nan 0.000 0.404 409 K N 0.667 120.964 120.400 -0.172 0.000 2.034 409 K HA -0.219 4.101 4.320 0.001 0.000 0.214 409 K C 1.434 177.958 176.600 -0.127 0.000 1.051 409 K CA 1.733 57.926 56.287 -0.156 0.000 0.931 409 K CB -0.371 31.998 32.500 -0.218 0.000 0.715 409 K HN 0.358 nan 8.250 nan 0.000 0.446 410 K N -0.374 119.932 120.400 -0.156 0.000 2.664 410 K HA -0.055 4.266 4.320 0.001 0.000 0.193 410 K C 0.829 177.356 176.600 -0.121 0.000 1.028 410 K CA 0.580 56.781 56.287 -0.143 0.000 1.005 410 K CB 0.077 32.467 32.500 -0.184 0.000 0.815 410 K HN 0.265 nan 8.250 nan 0.000 0.496 411 A N -0.499 122.262 122.820 -0.099 0.000 2.631 411 A HA 0.229 4.550 4.320 0.001 0.000 0.258 411 A C 0.991 178.554 177.584 -0.034 0.000 1.027 411 A CA 0.019 52.016 52.037 -0.066 0.000 1.015 411 A CB 0.087 19.040 19.000 -0.079 0.000 1.206 411 A HN 0.214 nan 8.150 nan 0.000 0.556 412 G N 1.310 110.088 108.800 -0.036 0.000 2.406 412 G HA2 -0.261 3.699 3.960 0.001 0.000 0.311 412 G HA3 -0.261 3.699 3.960 0.001 0.000 0.311 412 G C 0.132 175.036 174.900 0.007 0.000 0.804 412 G CA 1.409 46.502 45.100 -0.011 0.000 0.875 412 G HN 0.517 nan 8.290 nan 0.000 0.495 413 K N -0.431 119.971 120.400 0.004 0.000 2.651 413 K HA 0.172 4.492 4.320 0.001 0.000 0.259 413 K C 0.662 177.273 176.600 0.019 0.000 1.017 413 K CA -0.815 55.483 56.287 0.018 0.000 0.897 413 K CB 1.143 33.654 32.500 0.019 0.000 1.262 413 K HN 0.131 nan 8.250 nan 0.000 0.460 414 L N -0.549 120.687 121.223 0.022 0.000 2.633 414 L HA 0.103 4.443 4.340 0.001 0.000 0.235 414 L C 0.463 177.348 176.870 0.026 0.000 1.163 414 L CA 1.037 55.894 54.840 0.028 0.000 0.859 414 L CB -0.687 41.386 42.059 0.024 0.000 0.973 414 L HN 0.386 nan 8.230 nan 0.000 0.451 415 N N 1.256 119.973 118.700 0.029 0.000 3.091 415 N HA 0.380 5.120 4.740 0.001 0.000 0.255 415 N C -2.737 172.798 175.510 0.042 0.000 1.204 415 N CA -2.127 50.943 53.050 0.034 0.000 0.990 415 N CB 0.733 39.241 38.487 0.034 0.000 1.260 415 N HN 0.178 nan 8.380 nan 0.000 0.502 416 P HA 0.428 nan 4.420 nan 0.000 0.341 416 P C -1.147 176.185 177.300 0.054 0.000 1.255 416 P CA -0.717 62.416 63.100 0.056 0.000 0.790 416 P CB 1.467 33.234 31.700 0.112 0.000 1.437 417 V N -0.057 119.865 119.914 0.013 0.000 2.501 417 V HA 0.286 4.407 4.120 0.001 0.000 0.277 417 V C -0.740 175.210 176.094 -0.239 0.000 1.004 417 V CA -0.247 62.032 62.300 -0.034 0.000 0.862 417 V CB 0.216 32.082 31.823 0.071 0.000 1.035 417 V HN 0.266 nan 8.190 nan 0.000 0.448 418 F N 4.284 123.894 119.950 -0.567 0.000 2.429 418 F HA 0.500 5.028 4.527 0.001 0.000 0.348 418 F C 0.130 175.609 175.800 -0.534 0.000 1.109 418 F CA -0.675 56.917 58.000 -0.679 0.000 1.232 418 F CB 1.350 39.757 39.000 -0.989 0.000 1.157 418 F HN 0.348 nan 8.300 nan 0.000 0.564 419 L N 5.711 126.698 121.223 -0.392 0.000 2.384 419 L HA 0.390 4.731 4.340 0.001 0.000 0.261 419 L C -1.097 175.705 176.870 -0.113 0.000 1.024 419 L CA -0.527 54.196 54.840 -0.195 0.000 0.899 419 L CB 0.197 42.151 42.059 -0.176 0.000 1.243 419 L HN 0.252 nan 8.230 nan 0.000 0.449 420 L N 4.369 125.579 121.223 -0.020 0.000 2.737 420 L HA -0.004 4.336 4.340 0.001 0.000 0.288 420 L C 1.502 178.384 176.870 0.019 0.000 1.185 420 L CA 0.636 55.493 54.840 0.027 0.000 1.127 420 L CB -1.310 40.809 42.059 0.101 0.000 1.432 420 L HN 0.691 nan 8.230 nan 0.000 0.449 421 D N 2.932 123.330 120.400 -0.003 0.000 2.106 421 D HA -0.155 4.485 4.640 0.001 0.000 0.194 421 D C 0.239 176.553 176.300 0.023 0.000 0.988 421 D CA 1.419 55.427 54.000 0.013 0.000 0.845 421 D CB 0.525 41.330 40.800 0.008 0.000 0.990 421 D HN 0.581 nan 8.370 nan 0.000 0.448 422 E N 0.248 120.461 120.200 0.021 0.000 2.070 422 E HA 0.285 4.636 4.350 0.001 0.000 0.261 422 E C -0.508 176.110 176.600 0.029 0.000 0.926 422 E CA -0.235 56.180 56.400 0.024 0.000 0.760 422 E CB 1.275 30.987 29.700 0.020 0.000 1.133 422 E HN 0.330 nan 8.360 nan 0.000 0.420 423 I N 1.257 121.847 120.570 0.033 0.000 2.317 423 I HA 0.334 4.505 4.170 0.001 0.000 0.286 423 I C -0.440 175.696 176.117 0.030 0.000 1.119 423 I CA -0.328 60.994 61.300 0.036 0.000 1.228 423 I CB -0.128 37.898 38.000 0.044 0.000 1.476 423 I HN 0.378 nan 8.210 nan 0.000 0.514 424 D N 2.501 122.917 120.400 0.027 0.000 3.060 424 D HA -0.114 4.527 4.640 0.001 0.000 0.590 424 D C 0.257 176.570 176.300 0.023 0.000 0.629 424 D CA -0.248 53.767 54.000 0.025 0.000 1.082 424 D CB -0.412 40.402 40.800 0.024 0.000 1.508 424 D HN 0.434 nan 8.370 nan 0.000 0.290 425 K N 0.813 121.227 120.400 0.023 0.000 3.129 425 K HA 0.419 4.740 4.320 0.001 0.000 0.241 425 K C -0.053 176.560 176.600 0.022 0.000 1.239 425 K CA -0.060 56.240 56.287 0.021 0.000 1.239 425 K CB 0.372 32.884 32.500 0.020 0.000 1.347 425 K HN 0.121 nan 8.250 nan 0.000 0.435 426 M N 1.077 120.691 119.600 0.024 0.000 2.043 426 M HA 0.107 4.587 4.480 0.001 0.000 0.322 426 M C -0.184 176.130 176.300 0.022 0.000 0.962 426 M CA -0.121 55.194 55.300 0.025 0.000 0.927 426 M CB 1.645 34.261 32.600 0.028 0.000 1.466 426 M HN 0.302 nan 8.290 nan 0.000 0.412 438 M N 0.221 119.836 119.600 0.024 0.000 2.514 438 M HA 0.237 4.718 4.480 0.001 0.000 0.258 438 M C 1.345 177.657 176.300 0.019 0.000 1.119 438 M CA 0.586 55.906 55.300 0.032 0.000 1.111 438 M CB -0.325 32.313 32.600 0.063 0.000 1.390 438 M HN 0.146 nan 8.290 nan 0.000 0.475 439 L N 1.546 122.774 121.223 0.009 0.000 2.324 439 L HA -0.403 3.937 4.340 0.001 0.000 0.237 439 L C 2.371 179.232 176.870 -0.016 0.000 1.137 439 L CA 3.011 57.847 54.840 -0.007 0.000 0.855 439 L CB -2.401 39.650 42.059 -0.014 0.000 0.961 439 L HN 0.680 nan 8.230 nan 0.000 0.446 440 E N -0.640 119.540 120.200 -0.033 0.000 2.301 440 E HA -0.323 4.027 4.350 0.001 0.000 0.224 440 E C 2.079 178.674 176.600 -0.008 0.000 1.092 440 E CA 2.613 58.976 56.400 -0.062 0.000 0.913 440 E CB -0.230 29.385 29.700 -0.141 0.000 0.776 440 E HN 0.358 nan 8.360 nan 0.000 0.465 441 V N -0.253 119.708 119.914 0.079 0.000 2.970 441 V HA -0.118 4.003 4.120 0.001 0.000 0.260 441 V C 1.657 177.707 176.094 -0.074 0.000 1.100 441 V CA 1.627 64.075 62.300 0.246 0.000 1.122 441 V CB -0.021 31.994 31.823 0.319 0.000 0.721 441 V HN 0.319 nan 8.190 nan 0.000 0.483 442 L N -1.248 119.897 121.223 -0.129 0.000 2.717 442 L HA 0.377 4.717 4.340 0.001 0.000 0.239 442 L C 0.929 177.709 176.870 -0.150 0.000 1.086 442 L CA 0.070 54.759 54.840 -0.252 0.000 0.897 442 L CB -0.152 41.777 42.059 -0.216 0.000 1.214 442 L HN 0.065 nan 8.230 nan 0.000 0.508 443 D N 2.597 122.947 120.400 -0.083 0.000 2.479 443 D HA -0.044 4.596 4.640 0.001 0.000 0.257 443 D C -1.548 174.718 176.300 -0.056 0.000 1.230 443 D CA -0.913 53.053 54.000 -0.057 0.000 0.912 443 D CB 1.400 42.176 40.800 -0.040 0.000 1.130 443 D HN -0.048 nan 8.370 nan 0.000 0.515 444 P HA -0.194 nan 4.420 nan 0.000 0.218 444 P C 0.933 178.214 177.300 -0.031 0.000 1.152 444 P CA 1.390 64.462 63.100 -0.046 0.000 0.857 444 P CB 0.259 31.939 31.700 -0.033 0.000 0.787 445 E N -1.009 119.176 120.200 -0.025 0.000 2.072 445 E HA -0.208 4.142 4.350 0.001 0.000 0.191 445 E C 2.181 178.773 176.600 -0.014 0.000 0.985 445 E CA 0.931 57.320 56.400 -0.017 0.000 0.801 445 E CB -0.212 29.478 29.700 -0.016 0.000 0.750 445 E HN 0.366 nan 8.360 nan 0.000 0.452 446 Q N 0.632 120.422 119.800 -0.018 0.000 2.324 446 Q HA -0.102 4.238 4.340 0.001 0.000 0.207 446 Q C 1.793 177.801 176.000 0.014 0.000 0.928 446 Q CA 0.782 56.578 55.803 -0.012 0.000 0.890 446 Q CB 0.159 28.880 28.738 -0.029 0.000 1.001 446 Q HN 0.167 nan 8.270 nan 0.000 0.517 447 N N 0.896 119.601 118.700 0.007 0.000 2.182 447 N HA -0.279 4.461 4.740 0.001 0.000 0.192 447 N C 1.573 177.130 175.510 0.078 0.000 1.007 447 N CA 2.128 55.203 53.050 0.042 0.000 0.873 447 N CB -1.040 37.400 38.487 -0.078 0.000 0.998 447 N HN 0.330 nan 8.380 nan 0.000 0.436 448 S N -0.553 115.171 115.700 0.039 0.000 2.378 448 S HA -0.155 4.315 4.470 0.001 0.000 0.221 448 S C 1.214 175.869 174.600 0.092 0.000 1.037 448 S CA 1.089 59.316 58.200 0.046 0.000 1.069 448 S CB -1.037 62.176 63.200 0.022 0.000 1.006 448 S HN 0.412 nan 8.310 nan 0.000 0.423 449 S N 1.036 116.785 115.700 0.083 0.000 2.422 449 S HA 0.489 4.959 4.470 0.001 0.000 0.283 449 S C -0.984 173.702 174.600 0.142 0.000 1.163 449 S CA -0.836 57.425 58.200 0.102 0.000 1.054 449 S CB -0.716 62.515 63.200 0.051 0.000 0.967 449 S HN 0.365 nan 8.310 nan 0.000 0.499 450 F N 4.841 124.825 119.950 0.057 0.000 2.482 450 F HA 0.612 5.139 4.527 0.001 0.000 0.331 450 F C 0.278 176.099 175.800 0.035 0.000 1.115 450 F CA -0.383 57.638 58.000 0.035 0.000 0.955 450 F CB 1.705 40.733 39.000 0.045 0.000 1.136 450 F HN 0.626 nan 8.300 nan 0.000 0.452 451 S N 3.044 118.444 115.700 -0.500 0.000 2.739 451 S HA 0.761 5.232 4.470 0.001 0.000 0.306 451 S C -1.462 172.903 174.600 -0.393 0.000 1.115 451 S CA -0.609 57.406 58.200 -0.309 0.000 0.985 451 S CB 2.069 65.072 63.200 -0.329 0.000 1.133 451 S HN 0.713 nan 8.310 nan 0.000 0.541 452 D N -0.679 119.573 120.400 -0.248 0.000 2.633 452 D HA 0.187 4.828 4.640 0.001 0.000 0.198 452 D C -0.768 175.386 176.300 -0.242 0.000 1.273 452 D CA -0.380 53.470 54.000 -0.250 0.000 0.830 452 D CB 0.601 41.415 40.800 0.023 0.000 1.771 452 D HN 0.646 nan 8.370 nan 0.000 0.547 453 H N 2.911 121.845 119.070 -0.226 0.000 2.935 453 H HA 0.007 4.563 4.556 0.001 0.000 0.376 453 H C 0.387 175.552 175.328 -0.272 0.000 1.307 453 H CA 1.120 56.926 56.048 -0.403 0.000 1.442 453 H CB 0.166 29.390 29.762 -0.897 0.000 1.427 453 H HN 0.727 nan 8.280 nan 0.000 0.615 454 Y N -1.332 119.100 120.300 0.221 0.000 4.079 454 Y HA -0.209 4.341 4.550 0.001 0.000 0.223 454 Y C 1.155 177.074 175.900 0.032 0.000 1.155 454 Y CA 0.237 58.412 58.100 0.126 0.000 1.805 454 Y CB -1.032 37.499 38.460 0.119 0.000 1.571 454 Y HN 0.452 nan 8.280 nan 0.000 0.654 455 I N -0.842 119.819 120.570 0.152 0.000 3.578 455 I HA -0.074 4.096 4.170 0.001 0.000 0.394 455 I C 0.364 176.565 176.117 0.140 0.000 0.857 455 I CA 0.157 61.454 61.300 -0.005 0.000 1.092 455 I CB -0.364 37.697 38.000 0.102 0.000 3.302 455 I HN 0.198 nan 8.210 nan 0.000 0.927 456 E N 3.034 123.327 120.200 0.155 0.000 3.580 456 E HA -0.139 4.212 4.350 0.001 0.000 0.260 456 E C 0.190 176.892 176.600 0.169 0.000 0.828 456 E CA 1.287 57.758 56.400 0.118 0.000 0.984 456 E CB -0.099 29.670 29.700 0.116 0.000 0.826 456 E HN 0.323 nan 8.360 nan 0.000 0.555 457 E N 2.112 122.408 120.200 0.159 0.000 2.748 457 E HA 0.032 4.382 4.350 0.001 0.000 0.320 457 E C -0.808 175.934 176.600 0.238 0.000 0.996 457 E CA -0.274 56.250 56.400 0.208 0.000 0.835 457 E CB 1.285 31.154 29.700 0.282 0.000 1.265 457 E HN 0.292 nan 8.360 nan 0.000 0.420 458 T N 2.625 117.298 114.554 0.198 0.000 2.854 458 T HA 0.207 4.557 4.350 0.001 0.000 0.336 458 T C -0.689 174.209 174.700 0.330 0.000 1.095 458 T CA 0.630 62.856 62.100 0.209 0.000 1.118 458 T CB 0.075 69.030 68.868 0.145 0.000 1.025 458 T HN 0.355 nan 8.240 nan 0.000 0.549 459 F N 2.028 122.063 119.950 0.143 0.000 2.628 459 F HA 0.368 4.895 4.527 0.001 0.000 0.309 459 F C -1.108 174.717 175.800 0.043 0.000 1.108 459 F CA -1.132 56.904 58.000 0.060 0.000 0.971 459 F CB 1.878 40.876 39.000 -0.003 0.000 1.279 459 F HN 0.524 nan 8.300 nan 0.000 0.441 460 D N 4.925 125.195 120.400 -0.217 0.000 2.280 460 D HA 0.373 5.014 4.640 0.001 0.000 0.243 460 D C -0.184 176.148 176.300 0.054 0.000 1.129 460 D CA 0.104 54.068 54.000 -0.061 0.000 0.848 460 D CB 1.050 41.764 40.800 -0.144 0.000 1.107 460 D HN 0.589 nan 8.370 nan 0.000 0.471 461 L N 2.980 124.250 121.223 0.079 0.000 3.110 461 L HA 0.157 4.498 4.340 0.001 0.000 0.266 461 L C 1.705 178.583 176.870 0.012 0.000 1.257 461 L CA -0.277 54.584 54.840 0.035 0.000 1.038 461 L CB 0.118 42.146 42.059 -0.053 0.000 1.395 461 L HN 0.279 nan 8.230 nan 0.000 0.566 462 S N 0.834 116.539 115.700 0.007 0.000 2.427 462 S HA -0.205 4.265 4.470 0.001 0.000 0.231 462 S C 0.864 175.474 174.600 0.016 0.000 1.045 462 S CA 1.677 59.878 58.200 0.003 0.000 1.154 462 S CB -0.185 63.014 63.200 -0.001 0.000 1.093 462 S HN 0.340 nan 8.310 nan 0.000 0.422 463 K N 1.819 122.233 120.400 0.022 0.000 2.142 463 K HA 0.394 4.715 4.320 0.001 0.000 0.250 463 K C -1.407 175.227 176.600 0.057 0.000 1.148 463 K CA 0.041 56.350 56.287 0.037 0.000 1.040 463 K CB 0.557 33.074 32.500 0.027 0.000 1.569 463 K HN 0.046 nan 8.250 nan 0.000 0.361 464 V N 3.243 123.217 119.914 0.101 0.000 2.629 464 V HA 0.086 4.206 4.120 0.001 0.000 0.263 464 V C -0.744 175.516 176.094 0.277 0.000 0.959 464 V CA -0.910 61.477 62.300 0.144 0.000 0.869 464 V CB 1.149 33.093 31.823 0.200 0.000 1.060 464 V HN 0.511 nan 8.190 nan 0.000 0.474 465 L N 4.790 126.124 121.223 0.186 0.000 2.698 465 L HA 0.305 4.645 4.340 0.001 0.000 0.272 465 L C -0.664 176.336 176.870 0.217 0.000 1.154 465 L CA 0.991 55.970 54.840 0.232 0.000 0.964 465 L CB -0.304 41.867 42.059 0.187 0.000 1.272 465 L HN 0.378 nan 8.230 nan 0.000 0.483 466 F N 5.939 125.915 119.950 0.044 0.000 2.385 466 F HA 0.551 5.078 4.527 0.001 0.000 0.336 466 F C 0.695 176.506 175.800 0.018 0.000 1.100 466 F CA -0.449 57.566 58.000 0.027 0.000 1.116 466 F CB 1.155 40.150 39.000 -0.008 0.000 1.166 466 F HN 0.267 nan 8.300 nan 0.000 0.511 467 I N 1.878 122.523 120.570 0.125 0.000 2.802 467 I HA 0.666 4.837 4.170 0.001 0.000 0.298 467 I C -1.006 175.147 176.117 0.061 0.000 1.176 467 I CA -1.118 60.221 61.300 0.065 0.000 1.025 467 I CB 2.200 40.225 38.000 0.041 0.000 1.243 467 I HN 0.597 nan 8.210 nan 0.000 0.424 468 A N 3.011 125.858 122.820 0.044 0.000 2.371 468 A HA 0.849 5.169 4.320 0.001 0.000 0.311 468 A C -0.514 177.087 177.584 0.030 0.000 1.068 468 A CA -0.466 51.598 52.037 0.044 0.000 0.744 468 A CB 1.600 20.630 19.000 0.050 0.000 1.239 468 A HN 0.642 nan 8.150 nan 0.000 0.435 469 T N 0.835 115.408 114.554 0.033 0.000 2.927 469 T HA 0.837 5.188 4.350 0.001 0.000 0.281 469 T C -0.020 174.695 174.700 0.025 0.000 0.998 469 T CA 0.442 62.559 62.100 0.028 0.000 1.019 469 T CB 1.540 70.429 68.868 0.034 0.000 1.061 469 T HN 1.917 nan 8.240 nan 0.000 0.518 470 A N 1.332 124.164 122.820 0.020 0.000 2.581 470 A HA 0.598 4.919 4.320 0.001 0.000 0.294 470 A C -0.514 177.081 177.584 0.017 0.000 1.035 470 A CA -0.848 51.201 52.037 0.020 0.000 0.684 470 A CB 0.664 19.677 19.000 0.022 0.000 1.282 470 A HN 0.765 nan 8.150 nan 0.000 0.417 471 N N 0.575 119.286 118.700 0.019 0.000 3.261 471 N HA 0.168 4.908 4.740 0.001 0.000 0.217 471 N C 0.198 175.724 175.510 0.027 0.000 1.152 471 N CA -0.108 52.952 53.050 0.015 0.000 1.153 471 N CB -0.006 38.486 38.487 0.010 0.000 1.474 471 N HN 0.561 nan 8.380 nan 0.000 0.577 472 N N 1.763 120.480 118.700 0.027 0.000 2.466 472 N HA 0.110 4.851 4.740 0.001 0.000 0.263 472 N C 0.240 175.772 175.510 0.036 0.000 1.178 472 N CA 0.056 53.128 53.050 0.037 0.000 0.983 472 N CB -0.056 38.449 38.487 0.031 0.000 1.331 472 N HN 0.301 nan 8.380 nan 0.000 0.500 473 L N 1.839 123.088 121.223 0.044 0.000 2.556 473 L HA -0.206 4.134 4.340 0.001 0.000 0.230 473 L C 1.942 178.827 176.870 0.026 0.000 1.163 473 L CA 0.719 55.579 54.840 0.033 0.000 0.819 473 L CB -0.386 41.693 42.059 0.035 0.000 0.939 473 L HN 0.589 nan 8.230 nan 0.000 0.452 474 A N -0.114 122.722 122.820 0.027 0.000 1.836 474 A HA -0.286 4.034 4.320 0.001 0.000 0.212 474 A C 2.339 179.935 177.584 0.019 0.000 1.243 474 A CA 2.224 54.274 52.037 0.021 0.000 0.620 474 A CB -1.342 17.671 19.000 0.022 0.000 0.889 474 A HN 0.375 nan 8.150 nan 0.000 0.463 475 T N -0.516 114.050 114.554 0.020 0.000 2.814 475 T HA -0.220 4.131 4.350 0.001 0.000 0.264 475 T C 0.783 175.495 174.700 0.019 0.000 1.050 475 T CA 1.389 63.501 62.100 0.019 0.000 1.147 475 T CB -1.066 67.814 68.868 0.020 0.000 0.833 475 T HN 0.302 nan 8.240 nan 0.000 0.498 476 I N 2.571 123.153 120.570 0.020 0.000 2.845 476 I HA 0.062 4.232 4.170 0.001 0.000 0.296 476 I C -2.060 174.066 176.117 0.016 0.000 1.216 476 I CA -1.465 59.847 61.300 0.020 0.000 1.438 476 I CB 0.577 38.589 38.000 0.019 0.000 1.342 476 I HN 0.207 nan 8.210 nan 0.000 0.577 477 P HA 0.074 nan 4.420 nan 0.000 0.276 477 P C 0.844 178.150 177.300 0.010 0.000 1.253 477 P CA -0.100 63.008 63.100 0.013 0.000 0.766 477 P CB 1.085 32.793 31.700 0.014 0.000 0.845 478 G N 6.134 114.938 108.800 0.007 0.000 2.663 478 G HA2 -0.265 3.695 3.960 0.001 0.000 0.222 478 G HA3 -0.265 3.695 3.960 0.001 0.000 0.222 478 G C -0.962 173.940 174.900 0.003 0.000 1.146 478 G CA 1.008 46.111 45.100 0.004 0.000 0.764 478 G HN 0.408 nan 8.290 nan 0.000 0.608 479 P HA -0.118 nan 4.420 nan 0.000 0.215 479 P C 2.097 179.398 177.300 0.002 0.000 1.163 479 P CA 1.011 64.112 63.100 0.002 0.000 0.894 479 P CB -0.097 31.605 31.700 0.002 0.000 0.791 480 L N -1.026 120.201 121.223 0.006 0.000 1.988 480 L HA -0.089 4.251 4.340 0.001 0.000 0.207 480 L C 2.554 179.429 176.870 0.008 0.000 1.071 480 L CA 1.746 56.591 54.840 0.008 0.000 0.744 480 L CB -1.709 40.359 42.059 0.016 0.000 0.893 480 L HN 0.007 nan 8.230 nan 0.000 0.433 481 R N 0.144 120.649 120.500 0.009 0.000 2.226 481 R HA -0.205 4.136 4.340 0.001 0.000 0.246 481 R C 1.394 177.697 176.300 0.005 0.000 1.161 481 R CA 1.626 57.730 56.100 0.008 0.000 0.997 481 R CB 0.004 30.308 30.300 0.007 0.000 0.870 481 R HN 0.466 nan 8.270 nan 0.000 0.465 482 D N -0.528 119.874 120.400 0.003 0.000 2.277 482 D HA -0.029 4.611 4.640 0.001 0.000 0.209 482 D C 1.577 177.877 176.300 0.001 0.000 0.970 482 D CA 0.375 54.376 54.000 0.001 0.000 0.874 482 D CB -0.027 40.773 40.800 -0.001 0.000 0.982 482 D HN 0.159 nan 8.370 nan 0.000 0.504 483 R N 0.560 121.060 120.500 -0.001 0.000 2.280 483 R HA 0.076 4.417 4.340 0.001 0.000 0.207 483 R C 1.114 177.414 176.300 0.000 0.000 1.043 483 R CA 0.251 56.348 56.100 -0.005 0.000 1.006 483 R CB -0.142 30.150 30.300 -0.013 0.000 0.885 483 R HN 0.370 nan 8.270 nan 0.000 0.467 484 M N -1.079 118.525 119.600 0.007 0.000 2.530 484 M HA 0.411 4.892 4.480 0.001 0.000 0.307 484 M C -0.734 175.573 176.300 0.012 0.000 1.161 484 M CA -0.696 54.611 55.300 0.012 0.000 0.903 484 M CB 2.799 35.408 32.600 0.014 0.000 1.711 484 M HN -0.258 nan 8.290 nan 0.000 0.451 485 E N 2.912 123.121 120.200 0.014 0.000 2.216 485 E HA 0.537 4.888 4.350 0.001 0.000 0.279 485 E C -1.641 174.953 176.600 -0.010 0.000 0.997 485 E CA -0.622 55.784 56.400 0.011 0.000 0.817 485 E CB 1.358 31.079 29.700 0.035 0.000 1.096 485 E HN 0.800 nan 8.360 nan 0.000 0.393 486 I N 5.501 126.067 120.570 -0.008 0.000 2.412 486 I HA 0.358 4.529 4.170 0.001 0.000 0.296 486 I C -0.298 175.808 176.117 -0.019 0.000 0.987 486 I CA -0.841 60.451 61.300 -0.013 0.000 1.180 486 I CB 1.412 39.410 38.000 -0.005 0.000 1.340 486 I HN 0.483 nan 8.210 nan 0.000 0.455 487 I N 5.059 125.613 120.570 -0.027 0.000 2.498 487 I HA 0.314 4.484 4.170 0.001 0.000 0.290 487 I C -1.008 175.095 176.117 -0.024 0.000 1.032 487 I CA -0.779 60.504 61.300 -0.030 0.000 1.073 487 I CB 1.893 39.864 38.000 -0.048 0.000 1.251 487 I HN 0.480 nan 8.210 nan 0.000 0.426 488 N N 6.766 125.454 118.700 -0.019 0.000 2.437 488 N HA 0.438 5.179 4.740 0.001 0.000 0.259 488 N C -0.632 174.853 175.510 -0.041 0.000 0.983 488 N CA -0.551 52.490 53.050 -0.015 0.000 0.937 488 N CB 1.143 39.636 38.487 0.010 0.000 1.122 488 N HN 0.382 nan 8.380 nan 0.000 0.499 489 I N 0.528 121.065 120.570 -0.056 0.000 2.472 489 I HA 0.333 4.504 4.170 0.001 0.000 0.290 489 I C 0.974 177.015 176.117 -0.128 0.000 1.016 489 I CA -0.393 60.848 61.300 -0.099 0.000 1.348 489 I CB 1.053 39.000 38.000 -0.088 0.000 1.417 489 I HN 0.537 nan 8.210 nan 0.000 0.521 490 A N 4.088 126.786 122.820 -0.202 0.000 1.984 490 A HA 0.658 4.978 4.320 0.001 0.000 0.203 490 A C 1.010 178.455 177.584 -0.233 0.000 1.292 490 A CA 0.723 52.654 52.037 -0.176 0.000 0.782 490 A CB 0.090 19.001 19.000 -0.148 0.000 0.924 490 A HN 1.127 nan 8.150 nan 0.000 0.475 491 G N -2.355 106.186 108.800 -0.431 0.000 2.302 491 G HA2 0.329 4.290 3.960 0.001 0.000 0.276 491 G HA3 0.329 4.290 3.960 0.001 0.000 0.276 491 G C -1.483 173.010 174.900 -0.679 0.000 1.316 491 G CA -0.413 44.431 45.100 -0.427 0.000 0.988 491 G HN 0.607 nan 8.290 nan 0.000 0.479 492 Y N -0.263 120.039 120.300 0.003 0.000 2.519 492 Y HA 0.567 5.117 4.550 0.001 0.000 0.336 492 Y C 0.672 176.587 175.900 0.025 0.000 1.089 492 Y CA -0.285 57.824 58.100 0.014 0.000 1.025 492 Y CB 1.878 40.339 38.460 0.001 0.000 1.318 492 Y HN 0.764 nan 8.280 nan 0.000 0.452 493 T N 0.070 114.744 114.554 0.199 0.000 2.898 493 T HA 0.083 4.433 4.350 0.001 0.000 0.301 493 T C 1.133 175.912 174.700 0.133 0.000 1.049 493 T CA -0.562 61.630 62.100 0.153 0.000 1.095 493 T CB 1.020 69.954 68.868 0.109 0.000 0.976 493 T HN 0.752 nan 8.240 nan 0.000 0.539 494 E N 0.223 120.509 120.200 0.144 0.000 2.065 494 E HA -0.196 4.154 4.350 0.001 0.000 0.201 494 E C 2.074 178.692 176.600 0.030 0.000 1.016 494 E CA 1.119 57.558 56.400 0.065 0.000 0.818 494 E CB -0.142 29.597 29.700 0.064 0.000 0.749 494 E HN 0.497 nan 8.360 nan 0.000 0.453 495 I N 1.528 122.132 120.570 0.056 0.000 2.091 495 I HA -0.333 3.838 4.170 0.001 0.000 0.240 495 I C 2.247 178.343 176.117 -0.035 0.000 1.046 495 I CA 1.630 62.944 61.300 0.023 0.000 1.306 495 I CB -1.208 36.822 38.000 0.051 0.000 1.018 495 I HN 0.209 nan 8.210 nan 0.000 0.404 496 E N 0.404 120.610 120.200 0.009 0.000 2.021 496 E HA -0.275 4.076 4.350 0.001 0.000 0.200 496 E C 2.197 178.631 176.600 -0.277 0.000 1.015 496 E CA 1.765 58.126 56.400 -0.064 0.000 0.824 496 E CB -0.140 29.681 29.700 0.201 0.000 0.762 496 E HN 0.397 nan 8.360 nan 0.000 0.454 497 K N 0.379 120.672 120.400 -0.178 0.000 2.052 497 K HA -0.261 4.060 4.320 0.001 0.000 0.215 497 K C 2.234 178.690 176.600 -0.240 0.000 1.053 497 K CA 1.710 57.852 56.287 -0.241 0.000 0.934 497 K CB -0.457 31.975 32.500 -0.113 0.000 0.717 497 K HN 0.057 nan 8.250 nan 0.000 0.450 498 L N 1.697 122.818 121.223 -0.170 0.000 1.997 498 L HA -0.265 4.075 4.340 0.001 0.000 0.216 498 L C 2.033 178.789 176.870 -0.190 0.000 1.074 498 L CA 1.950 56.704 54.840 -0.144 0.000 0.763 498 L CB -0.377 41.626 42.059 -0.094 0.000 0.890 498 L HN 0.189 nan 8.230 nan 0.000 0.434 499 E N 0.027 120.049 120.200 -0.295 0.000 2.072 499 E HA -0.184 4.166 4.350 0.001 0.000 0.191 499 E C 2.344 178.735 176.600 -0.347 0.000 0.985 499 E CA 1.762 57.954 56.400 -0.348 0.000 0.801 499 E CB -0.326 29.020 29.700 -0.590 0.000 0.750 499 E HN 0.668 nan 8.360 nan 0.000 0.452 500 I N 0.976 121.247 120.570 -0.498 0.000 2.145 500 I HA -0.299 3.871 4.170 0.001 0.000 0.244 500 I C 2.532 178.541 176.117 -0.180 0.000 1.075 500 I CA 1.063 62.136 61.300 -0.377 0.000 1.332 500 I CB -0.954 36.771 38.000 -0.458 0.000 1.033 500 I HN -0.062 nan 8.210 nan 0.000 0.410 501 V N 1.150 120.963 119.914 -0.168 0.000 2.250 501 V HA -0.343 3.777 4.120 0.001 0.000 0.250 501 V C 2.552 178.612 176.094 -0.055 0.000 1.060 501 V CA 2.254 64.493 62.300 -0.101 0.000 1.030 501 V CB -0.781 30.980 31.823 -0.104 0.000 0.643 501 V HN 0.417 nan 8.190 nan 0.000 0.445 502 K N -0.563 119.804 120.400 -0.054 0.000 2.057 502 K HA -0.126 4.195 4.320 0.001 0.000 0.206 502 K C 1.666 178.272 176.600 0.009 0.000 1.050 502 K CA 1.588 57.857 56.287 -0.030 0.000 0.935 502 K CB -0.152 32.327 32.500 -0.034 0.000 0.715 502 K HN 0.451 nan 8.250 nan 0.000 0.439 503 D N -1.381 119.072 120.400 0.088 0.000 2.389 503 D HA 0.035 4.675 4.640 0.001 0.000 0.206 503 D C 0.899 177.228 176.300 0.048 0.000 1.055 503 D CA 0.726 54.788 54.000 0.103 0.000 0.856 503 D CB 0.503 41.421 40.800 0.197 0.000 0.957 503 D HN 0.261 nan 8.370 nan 0.000 0.509 504 H N -1.018 118.017 119.070 -0.058 0.000 1.920 504 H HA 0.297 4.853 4.556 0.001 0.000 0.186 504 H C 1.946 177.232 175.328 -0.070 0.000 0.924 504 H CA -0.277 55.732 56.048 -0.065 0.000 1.039 504 H CB 0.111 29.828 29.762 -0.076 0.000 1.126 504 H HN -0.185 nan 8.280 nan 0.000 0.379 505 L N 0.463 121.724 121.223 0.064 0.000 1.963 505 L HA -0.201 4.139 4.340 0.001 0.000 0.220 505 L C 2.247 179.110 176.870 -0.012 0.000 1.076 505 L CA 1.403 56.241 54.840 -0.002 0.000 0.772 505 L CB -0.368 41.664 42.059 -0.045 0.000 0.892 505 L HN 0.207 nan 8.230 nan 0.000 0.435 506 L N 0.315 121.522 121.223 -0.027 0.000 1.943 506 L HA -0.133 4.208 4.340 0.001 0.000 0.215 506 L C -0.229 176.624 176.870 -0.029 0.000 1.074 506 L CA 2.335 57.150 54.840 -0.042 0.000 0.759 506 L CB -2.316 39.707 42.059 -0.059 0.000 0.888 506 L HN 0.028 nan 8.230 nan 0.000 0.433 507 P HA -0.255 nan 4.420 nan 0.000 0.216 507 P C 1.636 178.925 177.300 -0.018 0.000 1.157 507 P CA 2.038 65.120 63.100 -0.031 0.000 0.880 507 P CB -0.153 31.518 31.700 -0.047 0.000 0.791 508 K N -0.527 119.864 120.400 -0.015 0.000 2.089 508 K HA -0.265 4.056 4.320 0.001 0.000 0.210 508 K C 2.145 178.759 176.600 0.023 0.000 1.048 508 K CA 1.611 57.894 56.287 -0.006 0.000 0.926 508 K CB -0.281 32.215 32.500 -0.006 0.000 0.714 508 K HN 0.055 nan 8.250 nan 0.000 0.448 509 Q N 0.254 120.079 119.800 0.041 0.000 2.137 509 Q HA -0.053 4.287 4.340 0.001 0.000 0.198 509 Q C 2.207 178.307 176.000 0.167 0.000 0.960 509 Q CA 0.759 56.637 55.803 0.126 0.000 0.847 509 Q CB -0.015 28.770 28.738 0.078 0.000 0.915 509 Q HN 0.409 nan 8.270 nan 0.000 0.448 510 I N 1.192 121.791 120.570 0.048 0.000 2.069 510 I HA -0.301 3.869 4.170 0.001 0.000 0.237 510 I C 2.352 178.506 176.117 0.062 0.000 1.053 510 I CA 1.347 62.666 61.300 0.032 0.000 1.311 510 I CB -0.918 37.076 38.000 -0.009 0.000 1.030 510 I HN 0.223 nan 8.210 nan 0.000 0.398 511 K N 0.967 121.385 120.400 0.030 0.000 2.211 511 K HA -0.236 4.085 4.320 0.001 0.000 0.204 511 K C 1.919 178.529 176.600 0.017 0.000 1.047 511 K CA 1.586 57.881 56.287 0.014 0.000 0.935 511 K CB -0.035 32.461 32.500 -0.007 0.000 0.728 511 K HN 0.389 nan 8.250 nan 0.000 0.452 512 E N -0.859 119.361 120.200 0.032 0.000 2.170 512 E HA -0.096 4.254 4.350 0.001 0.000 0.191 512 E C 0.385 176.930 176.600 -0.092 0.000 0.981 512 E CA 0.435 56.816 56.400 -0.031 0.000 0.830 512 E CB 0.147 29.819 29.700 -0.047 0.000 0.775 512 E HN 0.361 nan 8.360 nan 0.000 0.470 513 H N -0.346 118.714 119.070 -0.017 0.000 2.708 513 H HA 0.259 4.815 4.556 0.001 0.000 0.309 513 H C 0.091 175.412 175.328 -0.012 0.000 1.084 513 H CA 0.387 56.428 56.048 -0.012 0.000 1.165 513 H CB 0.135 29.890 29.762 -0.011 0.000 1.388 513 H HN 0.194 nan 8.280 nan 0.000 0.553 514 G N 2.013 110.845 108.800 0.054 0.000 2.246 514 G HA2 -0.169 3.791 3.960 0.001 0.000 0.227 514 G HA3 -0.169 3.791 3.960 0.001 0.000 0.227 514 G C -0.026 174.897 174.900 0.039 0.000 0.404 514 G CA 1.231 46.350 45.100 0.033 0.000 1.034 514 G HN 0.592 nan 8.290 nan 0.000 0.425 515 L N -2.180 119.062 121.223 0.032 0.000 2.892 515 L HA 0.773 5.114 4.340 0.001 0.000 0.269 515 L C -0.573 176.300 176.870 0.005 0.000 1.058 515 L CA -1.751 53.099 54.840 0.017 0.000 0.923 515 L CB 1.179 43.249 42.059 0.020 0.000 1.518 515 L HN -0.032 nan 8.230 nan 0.000 0.402 516 K N 1.056 121.455 120.400 -0.003 0.000 2.185 516 K HA 0.189 4.509 4.320 0.001 0.000 0.271 516 K C 0.328 176.917 176.600 -0.017 0.000 1.013 516 K CA -0.559 55.722 56.287 -0.010 0.000 0.943 516 K CB 1.932 34.426 32.500 -0.009 0.000 0.998 516 K HN 0.602 nan 8.250 nan 0.000 0.468 517 K N 1.554 121.942 120.400 -0.021 0.000 2.160 517 K HA -0.145 4.175 4.320 0.001 0.000 0.206 517 K C 1.327 177.911 176.600 -0.028 0.000 1.047 517 K CA 1.931 58.201 56.287 -0.028 0.000 0.930 517 K CB -0.371 32.112 32.500 -0.028 0.000 0.720 517 K HN 0.580 nan 8.250 nan 0.000 0.450 518 S N -1.061 114.626 115.700 -0.022 0.000 2.660 518 S HA 0.037 4.507 4.470 0.001 0.000 0.223 518 S C 1.323 175.912 174.600 -0.019 0.000 0.963 518 S CA 0.608 58.797 58.200 -0.019 0.000 0.932 518 S CB -0.359 62.832 63.200 -0.015 0.000 0.775 518 S HN 0.407 nan 8.310 nan 0.000 0.531 519 N N 0.209 118.897 118.700 -0.021 0.000 2.388 519 N HA 0.321 5.062 4.740 0.001 0.000 0.176 519 N C -0.537 174.956 175.510 -0.028 0.000 1.062 519 N CA 0.173 53.212 53.050 -0.018 0.000 0.895 519 N CB 0.456 38.935 38.487 -0.013 0.000 1.018 519 N HN 0.357 nan 8.380 nan 0.000 0.456 520 L N 0.516 121.712 121.223 -0.045 0.000 2.751 520 L HA 0.320 4.660 4.340 0.001 0.000 0.261 520 L C -2.109 174.709 176.870 -0.087 0.000 0.927 520 L CA -0.345 54.452 54.840 -0.073 0.000 0.968 520 L CB 1.593 43.597 42.059 -0.091 0.000 1.432 520 L HN -0.165 nan 8.230 nan 0.000 0.439 521 Q N 3.912 123.654 119.800 -0.096 0.000 2.347 521 Q HA 0.810 5.150 4.340 0.001 0.000 0.271 521 Q C -1.715 174.211 176.000 -0.123 0.000 1.064 521 Q CA -0.912 54.835 55.803 -0.093 0.000 0.800 521 Q CB 2.211 30.910 28.738 -0.065 0.000 1.304 521 Q HN 0.784 nan 8.270 nan 0.000 0.438 522 L N 0.986 122.134 121.223 -0.127 0.000 2.313 522 L HA 0.671 5.011 4.340 0.001 0.000 0.283 522 L C -0.092 176.722 176.870 -0.094 0.000 1.013 522 L CA -1.251 53.508 54.840 -0.136 0.000 0.816 522 L CB 1.260 43.215 42.059 -0.174 0.000 1.236 522 L HN 0.355 nan 8.230 nan 0.000 0.419 523 R N 1.324 121.776 120.500 -0.079 0.000 2.679 523 R HA 0.026 4.366 4.340 0.001 0.000 0.268 523 R C 0.225 176.493 176.300 -0.052 0.000 1.044 523 R CA -0.329 55.738 56.100 -0.054 0.000 1.105 523 R CB 0.756 31.031 30.300 -0.042 0.000 0.989 523 R HN 0.713 nan 8.270 nan 0.000 0.447 524 D N 1.573 121.950 120.400 -0.039 0.000 2.103 524 D HA -0.226 4.414 4.640 0.001 0.000 0.190 524 D C 1.711 177.993 176.300 -0.030 0.000 0.997 524 D CA 1.570 55.549 54.000 -0.035 0.000 0.833 524 D CB -0.083 40.703 40.800 -0.023 0.000 0.961 524 D HN 0.472 nan 8.370 nan 0.000 0.447 525 Q N 0.561 120.350 119.800 -0.018 0.000 2.156 525 Q HA -0.197 4.144 4.340 0.001 0.000 0.211 525 Q C 1.851 177.845 176.000 -0.009 0.000 0.995 525 Q CA 2.285 58.085 55.803 -0.005 0.000 0.877 525 Q CB -0.619 28.121 28.738 0.003 0.000 0.920 525 Q HN 0.277 nan 8.270 nan 0.000 0.416 526 A N -0.049 122.752 122.820 -0.031 0.000 1.898 526 A HA -0.114 4.206 4.320 0.001 0.000 0.216 526 A C 2.127 179.675 177.584 -0.061 0.000 1.181 526 A CA 1.365 53.373 52.037 -0.048 0.000 0.620 526 A CB -0.657 18.295 19.000 -0.079 0.000 0.819 526 A HN 0.486 nan 8.150 nan 0.000 0.442 527 I N -0.220 120.310 120.570 -0.067 0.000 2.163 527 I HA -0.248 3.923 4.170 0.001 0.000 0.243 527 I C 2.437 178.527 176.117 -0.044 0.000 1.085 527 I CA 0.999 62.256 61.300 -0.072 0.000 1.347 527 I CB -0.521 37.434 38.000 -0.074 0.000 1.044 527 I HN 0.266 nan 8.210 nan 0.000 0.408 528 L N 0.704 121.911 121.223 -0.028 0.000 1.971 528 L HA -0.297 4.043 4.340 0.001 0.000 0.215 528 L C 2.329 179.216 176.870 0.029 0.000 1.072 528 L CA 2.281 57.111 54.840 -0.016 0.000 0.758 528 L CB -1.363 40.692 42.059 -0.007 0.000 0.889 528 L HN 0.282 nan 8.230 nan 0.000 0.433 529 D N -0.130 120.323 120.400 0.088 0.000 2.126 529 D HA -0.225 4.415 4.640 0.001 0.000 0.190 529 D C 2.237 178.705 176.300 0.281 0.000 1.001 529 D CA 1.164 55.310 54.000 0.243 0.000 0.841 529 D CB -0.264 40.621 40.800 0.141 0.000 0.949 529 D HN 0.308 nan 8.370 nan 0.000 0.446 530 I N 0.550 121.156 120.570 0.060 0.000 2.143 530 I HA -0.316 3.854 4.170 0.001 0.000 0.245 530 I C 2.332 178.553 176.117 0.173 0.000 1.068 530 I CA 1.005 62.282 61.300 -0.038 0.000 1.326 530 I CB -0.312 37.605 38.000 -0.138 0.000 1.028 530 I HN 0.067 nan 8.210 nan 0.000 0.412 531 I N 0.193 120.815 120.570 0.087 0.000 2.094 531 I HA -0.270 3.900 4.170 0.001 0.000 0.234 531 I C 2.755 178.884 176.117 0.020 0.000 1.063 531 I CA 1.383 62.709 61.300 0.043 0.000 1.328 531 I CB -0.492 37.485 38.000 -0.039 0.000 1.058 531 I HN 0.085 nan 8.210 nan 0.000 0.400 532 R N -0.128 120.299 120.500 -0.121 0.000 2.133 532 R HA -0.219 4.121 4.340 0.001 0.000 0.247 532 R C 1.856 177.960 176.300 -0.327 0.000 1.151 532 R CA 1.987 57.814 56.100 -0.456 0.000 0.971 532 R CB -0.326 29.453 30.300 -0.869 0.000 0.866 532 R HN 0.433 nan 8.270 nan 0.000 0.447 533 Y N -3.489 116.904 120.300 0.154 0.000 2.442 533 Y HA 0.138 4.688 4.550 0.001 0.000 0.250 533 Y C 0.505 176.431 175.900 0.044 0.000 1.113 533 Y CA 0.015 58.196 58.100 0.135 0.000 1.273 533 Y CB 0.711 39.211 38.460 0.065 0.000 1.138 533 Y HN 0.008 nan 8.280 nan 0.000 0.522 534 Y N -0.774 119.720 120.300 0.322 0.000 2.527 534 Y HA 0.271 4.822 4.550 0.001 0.000 0.247 534 Y C 0.420 176.615 175.900 0.491 0.000 1.138 534 Y CA -0.567 57.687 58.100 0.256 0.000 1.228 534 Y CB 0.718 39.251 38.460 0.121 0.000 1.252 534 Y HN -0.140 nan 8.280 nan 0.000 0.531 535 T N -1.658 113.243 114.554 0.577 0.000 3.011 535 T HA 0.477 4.827 4.350 0.001 0.000 0.303 535 T C -0.854 173.722 174.700 -0.208 0.000 0.997 535 T CA -0.839 61.417 62.100 0.260 0.000 1.007 535 T CB 1.774 70.723 68.868 0.134 0.000 1.017 535 T HN 0.188 nan 8.240 nan 0.000 0.443 536 R N 2.953 123.013 120.500 -0.734 0.000 2.860 536 R HA 0.330 4.671 4.340 0.001 0.000 0.282 536 R C 0.116 176.214 176.300 -0.337 0.000 1.408 536 R CA -0.399 55.340 56.100 -0.602 0.000 1.636 536 R CB 0.287 30.092 30.300 -0.825 0.000 1.187 536 R HN 0.884 nan 8.270 nan 0.000 0.611 537 E N 0.282 120.378 120.200 -0.173 0.000 2.339 537 E HA 0.503 4.854 4.350 0.001 0.000 0.262 537 E C -0.524 176.044 176.600 -0.054 0.000 0.934 537 E CA -0.861 55.485 56.400 -0.090 0.000 0.802 537 E CB 1.731 31.412 29.700 -0.031 0.000 1.275 537 E HN 0.167 nan 8.360 nan 0.000 0.427 538 A N 1.406 124.206 122.820 -0.033 0.000 2.014 538 A HA 0.290 4.610 4.320 0.001 0.000 0.210 538 A C 1.179 178.803 177.584 0.067 0.000 1.188 538 A CA 0.898 52.929 52.037 -0.010 0.000 0.731 538 A CB -0.472 18.493 19.000 -0.059 0.000 0.858 538 A HN 0.625 nan 8.150 nan 0.000 0.464 539 G N -0.824 108.017 108.800 0.068 0.000 2.546 539 G HA2 0.366 4.326 3.960 0.001 0.000 0.239 539 G HA3 0.366 4.326 3.960 0.001 0.000 0.239 539 G C 0.478 175.458 174.900 0.135 0.000 1.476 539 G CA 0.792 45.976 45.100 0.141 0.000 1.064 539 G HN 0.904 nan 8.290 nan 0.000 0.561 540 V N -2.707 117.258 119.914 0.086 0.000 3.017 540 V HA 0.449 4.569 4.120 0.001 0.000 0.354 540 V C 1.601 177.703 176.094 0.013 0.000 1.389 540 V CA -0.014 62.295 62.300 0.015 0.000 1.163 540 V CB 0.017 31.798 31.823 -0.070 0.000 1.178 540 V HN 0.613 nan 8.190 nan 0.000 0.547 541 R N 0.878 121.397 120.500 0.032 0.000 2.061 541 R HA -0.067 4.273 4.340 0.001 0.000 0.230 541 R C 2.484 178.806 176.300 0.037 0.000 1.140 541 R CA 1.891 58.010 56.100 0.031 0.000 0.940 541 R CB -0.516 29.805 30.300 0.035 0.000 0.839 541 R HN 0.499 nan 8.270 nan 0.000 0.429 542 S N 0.410 116.140 115.700 0.050 0.000 2.387 542 S HA -0.153 4.317 4.470 0.001 0.000 0.230 542 S C 1.826 176.465 174.600 0.065 0.000 1.035 542 S CA 1.281 59.526 58.200 0.074 0.000 1.014 542 S CB -0.282 62.981 63.200 0.104 0.000 0.836 542 S HN 0.390 nan 8.310 nan 0.000 0.466 543 L N 0.691 121.938 121.223 0.040 0.000 2.093 543 L HA -0.077 4.263 4.340 0.001 0.000 0.208 543 L C 2.630 179.498 176.870 -0.004 0.000 1.085 543 L CA 1.670 56.518 54.840 0.014 0.000 0.755 543 L CB -0.402 41.648 42.059 -0.016 0.000 0.904 543 L HN 0.463 nan 8.230 nan 0.000 0.435 544 E N -0.229 119.972 120.200 0.001 0.000 2.047 544 E HA -0.240 4.110 4.350 0.001 0.000 0.191 544 E C 2.278 178.886 176.600 0.014 0.000 0.987 544 E CA 0.860 57.260 56.400 -0.000 0.000 0.799 544 E CB 0.100 29.803 29.700 0.006 0.000 0.752 544 E HN 0.384 nan 8.360 nan 0.000 0.449 545 R N 0.079 120.597 120.500 0.029 0.000 2.096 545 R HA -0.157 4.184 4.340 0.001 0.000 0.240 545 R C 2.492 178.808 176.300 0.026 0.000 1.139 545 R CA 1.548 57.671 56.100 0.039 0.000 0.952 545 R CB -0.081 30.249 30.300 0.050 0.000 0.854 545 R HN 0.224 nan 8.270 nan 0.000 0.436 546 Q N 0.316 120.127 119.800 0.019 0.000 2.230 546 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 546 Q C 2.263 178.227 176.000 -0.059 0.000 0.963 546 Q CA 0.925 56.722 55.803 -0.009 0.000 0.866 546 Q CB -0.013 28.720 28.738 -0.009 0.000 0.931 546 Q HN 0.410 nan 8.270 nan 0.000 0.452 547 L N 0.136 121.323 121.223 -0.060 0.000 1.976 547 L HA -0.216 4.125 4.340 0.001 0.000 0.209 547 L C 2.515 179.316 176.870 -0.115 0.000 1.071 547 L CA 1.321 56.104 54.840 -0.095 0.000 0.746 547 L CB -0.729 41.286 42.059 -0.074 0.000 0.890 547 L HN 0.141 nan 8.230 nan 0.000 0.432 548 A N -0.045 122.736 122.820 -0.065 0.000 1.873 548 A HA -0.313 4.007 4.320 0.001 0.000 0.218 548 A C 2.524 180.022 177.584 -0.143 0.000 1.193 548 A CA 2.240 54.219 52.037 -0.096 0.000 0.629 548 A CB -1.061 18.009 19.000 0.117 0.000 0.826 548 A HN 0.478 nan 8.150 nan 0.000 0.447 549 A N 0.014 122.809 122.820 -0.041 0.000 1.935 549 A HA -0.306 4.014 4.320 0.001 0.000 0.224 549 A C 2.131 179.694 177.584 -0.036 0.000 1.324 549 A CA 2.330 54.358 52.037 -0.015 0.000 0.686 549 A CB -0.958 18.044 19.000 0.004 0.000 0.837 549 A HN 0.635 nan 8.150 nan 0.000 0.481 550 I N -1.457 119.062 120.570 -0.086 0.000 2.193 550 I HA -0.248 3.923 4.170 0.001 0.000 0.240 550 I C 2.585 178.600 176.117 -0.170 0.000 1.084 550 I CA 1.064 62.303 61.300 -0.102 0.000 1.365 550 I CB -0.997 36.848 38.000 -0.258 0.000 1.064 550 I HN 0.422 nan 8.210 nan 0.000 0.410 551 C N 0.898 120.014 119.300 -0.307 0.000 2.382 551 C HA -0.261 4.200 4.460 0.001 0.000 0.274 551 C C 3.036 177.794 174.990 -0.386 0.000 1.180 551 C CA 1.486 60.235 59.018 -0.449 0.000 1.799 551 C CB -1.279 25.958 27.740 -0.837 0.000 2.094 551 C HN 0.423 nan 8.230 nan 0.000 0.468 552 R N 0.565 120.850 120.500 -0.358 0.000 2.092 552 R HA -0.108 4.232 4.340 0.001 0.000 0.226 552 R C 2.506 178.810 176.300 0.007 0.000 1.140 552 R CA 1.394 57.451 56.100 -0.071 0.000 0.910 552 R CB -0.362 29.948 30.300 0.017 0.000 0.822 552 R HN 0.286 nan 8.270 nan 0.000 0.433 553 K N 0.307 120.735 120.400 0.046 0.000 2.127 553 K HA -0.255 4.065 4.320 0.001 0.000 0.212 553 K C 1.836 178.510 176.600 0.123 0.000 1.050 553 K CA 1.897 58.245 56.287 0.103 0.000 0.929 553 K CB -0.470 32.171 32.500 0.236 0.000 0.715 553 K HN 0.318 nan 8.250 nan 0.000 0.457 554 A N 0.716 123.604 122.820 0.114 0.000 1.841 554 A HA -0.171 4.149 4.320 0.001 0.000 0.216 554 A C 2.405 180.019 177.584 0.050 0.000 1.199 554 A CA 2.816 54.904 52.037 0.086 0.000 0.621 554 A CB -1.049 17.944 19.000 -0.012 0.000 0.835 554 A HN 0.413 nan 8.150 nan 0.000 0.445 555 A N -0.415 122.422 122.820 0.027 0.000 1.884 555 A HA -0.284 4.036 4.320 0.001 0.000 0.219 555 A C 2.183 179.787 177.584 0.033 0.000 1.197 555 A CA 2.430 54.487 52.037 0.034 0.000 0.637 555 A CB -0.648 18.384 19.000 0.053 0.000 0.827 555 A HN 0.457 nan 8.150 nan 0.000 0.450 556 K N -0.134 120.286 120.400 0.034 0.000 2.173 556 K HA -0.208 4.112 4.320 0.001 0.000 0.207 556 K C 2.126 178.736 176.600 0.017 0.000 1.046 556 K CA 1.593 57.893 56.287 0.022 0.000 0.929 556 K CB -0.489 32.020 32.500 0.015 0.000 0.720 556 K HN 0.448 nan 8.250 nan 0.000 0.453 557 A N 1.750 124.584 122.820 0.024 0.000 1.845 557 A HA -0.150 4.170 4.320 0.001 0.000 0.215 557 A C 2.029 179.624 177.584 0.018 0.000 1.195 557 A CA 1.542 53.591 52.037 0.021 0.000 0.616 557 A CB -0.513 18.509 19.000 0.037 0.000 0.832 557 A HN 0.292 nan 8.150 nan 0.000 0.443 558 I N 0.322 120.905 120.570 0.022 0.000 2.399 558 I HA -0.197 3.974 4.170 0.001 0.000 0.254 558 I C 2.286 178.411 176.117 0.012 0.000 1.146 558 I CA 1.277 62.587 61.300 0.016 0.000 1.412 558 I CB -1.615 36.394 38.000 0.016 0.000 1.076 558 I HN 0.157 nan 8.210 nan 0.000 0.432 559 V N 0.801 120.723 119.914 0.013 0.000 2.374 559 V HA -0.002 4.118 4.120 0.001 0.000 0.241 559 V C 2.506 178.603 176.094 0.006 0.000 1.034 559 V CA 1.335 63.640 62.300 0.010 0.000 1.037 559 V CB -1.005 30.825 31.823 0.011 0.000 0.682 559 V HN 0.409 nan 8.190 nan 0.000 0.463 560 A N 0.571 123.394 122.820 0.005 0.000 2.243 560 A HA -0.153 4.168 4.320 0.001 0.000 0.195 560 A C 1.971 179.556 177.584 0.001 0.000 1.405 560 A CA 1.424 53.462 52.037 0.001 0.000 0.651 560 A CB -0.997 18.002 19.000 -0.001 0.000 1.010 560 A HN 0.471 nan 8.150 nan 0.000 0.506 561 E N -1.115 119.085 120.200 0.000 0.000 2.271 561 E HA -0.254 4.097 4.350 0.001 0.000 0.209 561 E C 0.756 177.357 176.600 0.003 0.000 1.046 561 E CA 1.675 58.075 56.400 0.000 0.000 0.840 561 E CB -0.233 29.467 29.700 0.001 0.000 0.738 561 E HN 0.680 nan 8.360 nan 0.000 0.470 562 E N -1.803 118.400 120.200 0.005 0.000 4.067 562 E HA -0.298 4.052 4.350 0.001 0.000 0.346 562 E C -0.369 176.234 176.600 0.005 0.000 0.613 562 E CA 0.870 57.273 56.400 0.005 0.000 1.252 562 E CB -1.218 28.484 29.700 0.003 0.000 1.731 562 E HN 0.443 nan 8.360 nan 0.000 0.406 563 R N 1.812 122.316 120.500 0.006 0.000 2.560 563 R HA -0.095 4.245 4.340 0.001 0.000 0.296 563 R C 0.644 176.948 176.300 0.007 0.000 0.873 563 R CA 1.009 57.113 56.100 0.007 0.000 1.140 563 R CB 0.097 30.404 30.300 0.011 0.000 0.875 563 R HN 0.109 nan 8.270 nan 0.000 0.419 564 K N 1.938 122.340 120.400 0.003 0.000 2.555 564 K HA -0.058 4.263 4.320 0.001 0.000 0.193 564 K C 0.337 176.936 176.600 -0.001 0.000 1.032 564 K CA 0.474 56.762 56.287 0.001 0.000 1.004 564 K CB 0.223 32.722 32.500 -0.001 0.000 0.804 564 K HN 0.564 nan 8.250 nan 0.000 0.496 565 R N 0.611 121.112 120.500 0.002 0.000 2.698 565 R HA 0.369 4.710 4.340 0.001 0.000 0.275 565 R C -1.731 174.573 176.300 0.007 0.000 1.001 565 R CA -0.528 55.571 56.100 -0.002 0.000 0.896 565 R CB 1.267 31.564 30.300 -0.005 0.000 1.218 565 R HN 0.016 nan 8.270 nan 0.000 0.462 566 I N 2.499 123.069 120.570 -0.000 0.000 2.534 566 I HA 0.191 4.362 4.170 0.001 0.000 0.286 566 I C -0.785 175.316 176.117 -0.027 0.000 1.094 566 I CA -0.531 60.779 61.300 0.017 0.000 1.055 566 I CB 2.700 40.722 38.000 0.037 0.000 1.225 566 I HN 0.537 nan 8.210 nan 0.000 0.435 567 T N 5.746 120.294 114.554 -0.011 0.000 2.874 567 T HA 0.207 4.557 4.350 0.001 0.000 0.321 567 T C -0.328 174.337 174.700 -0.058 0.000 1.075 567 T CA -0.257 61.815 62.100 -0.047 0.000 0.966 567 T CB 1.191 70.044 68.868 -0.025 0.000 1.001 567 T HN 0.338 nan 8.240 nan 0.000 0.476 568 V N 4.376 124.180 119.914 -0.182 0.000 2.530 568 V HA 0.665 4.785 4.120 0.001 0.000 0.282 568 V C 0.165 176.184 176.094 -0.126 0.000 1.048 568 V CA 0.496 62.652 62.300 -0.240 0.000 0.997 568 V CB 1.240 32.705 31.823 -0.598 0.000 0.987 568 V HN 0.819 nan 8.190 nan 0.000 0.477 569 T N 3.240 117.766 114.554 -0.046 0.000 2.858 569 T HA 0.382 4.732 4.350 0.001 0.000 0.285 569 T C 0.934 175.621 174.700 -0.021 0.000 1.052 569 T CA 0.120 62.202 62.100 -0.031 0.000 1.009 569 T CB 1.717 70.581 68.868 -0.007 0.000 1.241 569 T HN 0.880 nan 8.240 nan 0.000 0.542 570 E N 0.532 120.722 120.200 -0.017 0.000 2.409 570 E HA -0.056 4.294 4.350 0.001 0.000 0.198 570 E C 1.053 177.650 176.600 -0.005 0.000 1.024 570 E CA 0.662 57.054 56.400 -0.013 0.000 0.861 570 E CB 0.132 29.827 29.700 -0.008 0.000 0.788 570 E HN 0.221 nan 8.360 nan 0.000 0.521 571 K N 0.896 121.300 120.400 0.007 0.000 2.287 571 K HA 0.113 4.433 4.320 0.001 0.000 0.199 571 K C 1.439 178.061 176.600 0.037 0.000 1.061 571 K CA 0.543 56.838 56.287 0.013 0.000 0.976 571 K CB -0.295 32.211 32.500 0.010 0.000 0.898 571 K HN 0.131 nan 8.250 nan 0.000 0.492 572 N N 1.481 120.220 118.700 0.066 0.000 2.289 572 N HA -0.140 4.600 4.740 0.001 0.000 0.184 572 N C 1.567 177.195 175.510 0.196 0.000 1.016 572 N CA 0.327 53.466 53.050 0.149 0.000 0.872 572 N CB -0.104 38.529 38.487 0.244 0.000 0.973 572 N HN -0.085 nan 8.380 nan 0.000 0.433 573 L N 1.765 123.055 121.223 0.111 0.000 2.034 573 L HA -0.311 4.029 4.340 0.001 0.000 0.217 573 L C 1.917 178.863 176.870 0.126 0.000 1.077 573 L CA 1.799 56.688 54.840 0.082 0.000 0.769 573 L CB -0.627 41.413 42.059 -0.033 0.000 0.890 573 L HN 0.287 nan 8.230 nan 0.000 0.435 574 Q N -1.168 118.691 119.800 0.099 0.000 2.170 574 Q HA -0.189 4.151 4.340 0.001 0.000 0.203 574 Q C 0.915 176.936 176.000 0.035 0.000 0.976 574 Q CA 1.400 57.254 55.803 0.086 0.000 0.858 574 Q CB -0.304 28.465 28.738 0.052 0.000 0.907 574 Q HN 0.531 nan 8.270 nan 0.000 0.433 575 D N -0.851 119.543 120.400 -0.010 0.000 2.332 575 D HA 0.021 4.662 4.640 0.001 0.000 0.244 575 D C 0.162 176.163 176.300 -0.498 0.000 1.136 575 D CA 0.605 54.472 54.000 -0.222 0.000 0.884 575 D CB 0.031 40.659 40.800 -0.287 0.000 0.906 575 D HN 0.231 nan 8.370 nan 0.000 0.520 576 F N -0.972 118.953 119.950 -0.043 0.000 2.157 576 F HA 0.196 4.723 4.527 0.001 0.000 0.277 576 F C 1.635 177.402 175.800 -0.055 0.000 0.904 576 F CA -0.288 57.677 58.000 -0.059 0.000 1.121 576 F CB 0.320 39.268 39.000 -0.087 0.000 1.195 576 F HN -0.149 nan 8.300 nan 0.000 0.726 577 I N -1.434 119.214 120.570 0.129 0.000 4.025 577 I HA 0.728 4.898 4.170 0.001 0.000 0.336 577 I C 0.756 176.968 176.117 0.157 0.000 1.390 577 I CA 0.351 61.692 61.300 0.069 0.000 1.099 577 I CB 0.011 37.947 38.000 -0.107 0.000 1.049 577 I HN 0.249 nan 8.210 nan 0.000 0.394 578 G N 2.531 111.414 108.800 0.138 0.000 2.472 578 G HA2 -0.173 3.787 3.960 0.001 0.000 0.205 578 G HA3 -0.173 3.787 3.960 0.001 0.000 0.205 578 G C -0.690 174.312 174.900 0.170 0.000 1.270 578 G CA -0.282 44.894 45.100 0.127 0.000 0.974 578 G HN 0.509 nan 8.290 nan 0.000 0.542 579 K N 0.566 121.014 120.400 0.080 0.000 2.148 579 K HA 0.797 5.118 4.320 0.001 0.000 0.239 579 K C 0.710 177.232 176.600 -0.130 0.000 1.018 579 K CA -0.894 55.403 56.287 0.017 0.000 0.923 579 K CB 0.379 32.858 32.500 -0.035 0.000 1.117 579 K HN 0.571 nan 8.250 nan 0.000 0.477 580 R N 0.460 120.821 120.500 -0.233 0.000 2.679 580 R HA 0.076 4.417 4.340 0.001 0.000 0.268 580 R C 0.663 176.669 176.300 -0.491 0.000 1.044 580 R CA 0.285 56.084 56.100 -0.501 0.000 1.105 580 R CB -0.104 30.055 30.300 -0.236 0.000 0.989 580 R HN 0.769 nan 8.270 nan 0.000 0.447 581 I N 0.301 120.474 120.570 -0.662 0.000 3.971 581 I HA 0.117 4.287 4.170 0.001 0.000 0.303 581 I C -0.125 175.546 176.117 -0.744 0.000 1.233 581 I CA 0.392 61.267 61.300 -0.708 0.000 1.346 581 I CB 0.437 37.901 38.000 -0.892 0.000 1.273 581 I HN 0.268 nan 8.210 nan 0.000 0.448 582 F N 0.133 120.029 119.950 -0.089 0.000 2.598 582 F HA 0.518 5.046 4.527 0.001 0.000 0.327 582 F C 0.233 176.040 175.800 0.011 0.000 1.057 582 F CA -0.917 57.063 58.000 -0.034 0.000 0.957 582 F CB 0.771 39.745 39.000 -0.042 0.000 1.278 582 F HN -0.373 nan 8.300 nan 0.000 0.484 583 R N 0.732 121.377 120.500 0.242 0.000 2.297 583 R HA 0.387 4.727 4.340 0.001 0.000 0.308 583 R C -1.622 174.749 176.300 0.119 0.000 1.029 583 R CA -0.504 55.686 56.100 0.150 0.000 0.929 583 R CB 0.948 31.306 30.300 0.097 0.000 1.046 583 R HN 0.723 nan 8.270 nan 0.000 0.461 584 Y N 1.857 122.101 120.300 -0.094 0.000 2.499 584 Y HA 0.487 5.038 4.550 0.001 0.000 0.347 584 Y C 0.533 176.380 175.900 -0.090 0.000 0.987 584 Y CA 0.357 58.348 58.100 -0.181 0.000 1.044 584 Y CB 1.815 40.017 38.460 -0.430 0.000 1.245 584 Y HN 0.845 nan 8.280 nan 0.000 0.461 585 G N 3.686 112.096 108.800 -0.650 0.000 2.642 585 G HA2 -0.214 3.746 3.960 0.001 0.000 0.231 585 G HA3 -0.214 3.746 3.960 0.001 0.000 0.231 585 G C -0.281 174.489 174.900 -0.216 0.000 1.338 585 G CA 0.231 45.027 45.100 -0.506 0.000 0.883 585 G HN 0.672 nan 8.290 nan 0.000 0.570 586 Q N -0.750 118.964 119.800 -0.143 0.000 2.164 586 Q HA 0.495 4.836 4.340 0.001 0.000 0.226 586 Q C 2.292 178.270 176.000 -0.038 0.000 0.813 586 Q CA 1.141 56.895 55.803 -0.081 0.000 0.978 586 Q CB 0.429 29.119 28.738 -0.080 0.000 1.149 586 Q HN 1.198 nan 8.270 nan 0.000 0.489 587 A N 2.065 124.873 122.820 -0.020 0.000 1.873 587 A HA -0.249 4.072 4.320 0.001 0.000 0.218 587 A C 2.004 179.595 177.584 0.010 0.000 1.193 587 A CA 1.840 53.883 52.037 0.009 0.000 0.629 587 A CB -0.285 18.741 19.000 0.042 0.000 0.826 587 A HN 0.360 nan 8.150 nan 0.000 0.447 588 E N -0.486 119.723 120.200 0.016 0.000 2.076 588 E HA -0.024 4.326 4.350 0.001 0.000 0.190 588 E C 0.412 177.014 176.600 0.004 0.000 0.979 588 E CA 0.878 57.287 56.400 0.015 0.000 0.807 588 E CB -0.271 29.445 29.700 0.026 0.000 0.761 588 E HN 0.667 nan 8.360 nan 0.000 0.454 589 T N 0.733 115.284 114.554 -0.005 0.000 2.919 589 T HA 0.277 4.627 4.350 0.001 0.000 0.302 589 T C -0.070 174.623 174.700 -0.011 0.000 1.031 589 T CA -0.295 61.800 62.100 -0.009 0.000 1.127 589 T CB 1.584 70.441 68.868 -0.019 0.000 0.952 589 T HN -0.085 nan 8.240 nan 0.000 0.540 590 E N 0.654 120.849 120.200 -0.009 0.000 2.227 590 E HA 0.357 4.707 4.350 0.001 0.000 0.268 590 E C -0.925 175.669 176.600 -0.010 0.000 0.907 590 E CA -0.788 55.607 56.400 -0.009 0.000 0.786 590 E CB 1.115 30.811 29.700 -0.006 0.000 1.191 590 E HN 0.653 nan 8.360 nan 0.000 0.411 591 D N 1.780 122.174 120.400 -0.011 0.000 2.449 591 D HA 0.082 4.722 4.640 0.001 0.000 0.236 591 D C -0.212 176.084 176.300 -0.007 0.000 1.149 591 D CA 0.674 54.668 54.000 -0.011 0.000 0.878 591 D CB 0.577 41.371 40.800 -0.011 0.000 1.198 591 D HN 0.167 nan 8.370 nan 0.000 0.446 592 Q N 0.109 119.905 119.800 -0.006 0.000 2.814 592 Q HA 0.699 5.039 4.340 0.001 0.000 0.283 592 Q C -1.480 174.518 176.000 -0.004 0.000 1.071 592 Q CA -0.933 54.867 55.803 -0.004 0.000 0.849 592 Q CB 2.034 30.772 28.738 -0.001 0.000 1.437 592 Q HN 0.324 nan 8.270 nan 0.000 0.492 593 V N 0.362 120.274 119.914 -0.003 0.000 2.555 593 V HA 0.600 4.720 4.120 0.001 0.000 0.302 593 V C 0.512 176.604 176.094 -0.003 0.000 1.038 593 V CA -0.310 61.987 62.300 -0.006 0.000 0.887 593 V CB 1.210 33.028 31.823 -0.009 0.000 0.991 593 V HN 0.961 nan 8.190 nan 0.000 0.434 594 G N 3.050 111.848 108.800 -0.004 0.000 2.379 594 G HA2 -0.167 3.793 3.960 0.001 0.000 0.297 594 G HA3 -0.167 3.793 3.960 0.001 0.000 0.297 594 G C -0.128 174.780 174.900 0.012 0.000 1.004 594 G CA 0.699 45.800 45.100 0.002 0.000 0.921 594 G HN 1.014 nan 8.290 nan 0.000 0.511 595 V N -0.296 119.623 119.914 0.009 0.000 2.555 595 V HA 0.439 4.559 4.120 0.001 0.000 0.283 595 V C 0.098 176.195 176.094 0.005 0.000 1.020 595 V CA -0.742 61.565 62.300 0.012 0.000 0.883 595 V CB 1.876 33.707 31.823 0.013 0.000 1.030 595 V HN 0.335 nan 8.190 nan 0.000 0.448 596 V N 2.731 122.648 119.914 0.004 0.000 2.732 596 V HA 0.586 4.706 4.120 0.001 0.000 0.310 596 V C 0.386 176.476 176.094 -0.007 0.000 1.053 596 V CA -0.581 61.718 62.300 -0.002 0.000 0.957 596 V CB 2.245 34.068 31.823 -0.000 0.000 1.018 596 V HN 0.794 nan 8.190 nan 0.000 0.452 597 T N 2.485 117.032 114.554 -0.011 0.000 2.929 597 T HA 0.492 4.842 4.350 0.001 0.000 0.331 597 T C 0.381 175.072 174.700 -0.015 0.000 1.120 597 T CA -0.261 61.829 62.100 -0.016 0.000 0.973 597 T CB 0.673 69.528 68.868 -0.021 0.000 1.036 597 T HN 0.996 nan 8.240 nan 0.000 0.502 598 G N 3.448 112.239 108.800 -0.015 0.000 2.356 598 G HA2 0.527 4.487 3.960 0.001 0.000 0.298 598 G HA3 0.527 4.487 3.960 0.001 0.000 0.298 598 G C -0.285 174.612 174.900 -0.005 0.000 1.145 598 G CA -0.741 44.353 45.100 -0.009 0.000 0.850 598 G HN 0.529 nan 8.290 nan 0.000 0.487 599 L N 1.466 122.692 121.223 0.005 0.000 2.319 599 L HA 0.585 4.926 4.340 0.001 0.000 0.280 599 L C 0.683 177.571 176.870 0.029 0.000 1.099 599 L CA -0.543 54.306 54.840 0.014 0.000 0.828 599 L CB 0.178 42.253 42.059 0.027 0.000 1.150 599 L HN 0.618 nan 8.230 nan 0.000 0.442 600 A N 3.580 126.418 122.820 0.029 0.000 2.423 600 A HA 0.571 4.891 4.320 0.001 0.000 0.304 600 A C -1.437 176.199 177.584 0.087 0.000 1.104 600 A CA -0.514 51.556 52.037 0.055 0.000 0.757 600 A CB 1.222 20.238 19.000 0.027 0.000 1.313 600 A HN 0.566 nan 8.150 nan 0.000 0.423 601 Y N 1.841 122.134 120.300 -0.013 0.000 2.804 601 Y HA 0.417 4.967 4.550 0.001 0.000 0.330 601 Y C 0.274 176.166 175.900 -0.014 0.000 1.092 601 Y CA -0.062 58.030 58.100 -0.013 0.000 1.315 601 Y CB 0.289 38.742 38.460 -0.012 0.000 1.188 601 Y HN 0.625 nan 8.280 nan 0.000 0.512 602 T N 2.403 116.894 114.554 -0.105 0.000 2.918 602 T HA -0.014 4.337 4.350 0.001 0.000 0.302 602 T C 1.591 176.188 174.700 -0.172 0.000 1.045 602 T CA 0.496 62.544 62.100 -0.086 0.000 1.114 602 T CB 1.170 69.984 68.868 -0.090 0.000 0.965 602 T HN 0.759 nan 8.240 nan 0.000 0.540 603 T N -0.688 113.840 114.554 -0.043 0.000 2.896 603 T HA -0.151 4.200 4.350 0.001 0.000 0.270 603 T C 1.235 175.878 174.700 -0.096 0.000 1.104 603 T CA 1.487 63.567 62.100 -0.033 0.000 1.115 603 T CB -0.541 68.333 68.868 0.010 0.000 0.843 603 T HN 0.589 nan 8.240 nan 0.000 0.523 604 V N -2.667 117.171 119.914 -0.126 0.000 2.988 604 V HA 0.784 4.904 4.120 0.001 0.000 0.356 604 V C 0.619 176.615 176.094 -0.164 0.000 1.380 604 V CA -0.034 62.196 62.300 -0.118 0.000 1.184 604 V CB -0.565 31.217 31.823 -0.069 0.000 1.204 604 V HN 0.941 nan 8.190 nan 0.000 0.530 605 G N -0.267 108.367 108.800 -0.276 0.000 2.362 605 G HA2 0.326 4.287 3.960 0.001 0.000 0.517 605 G HA3 0.326 4.287 3.960 0.001 0.000 0.517 605 G C 0.085 174.818 174.900 -0.278 0.000 1.256 605 G CA -0.208 44.718 45.100 -0.288 0.000 1.027 605 G HN 1.422 nan 8.290 nan 0.000 0.491 606 G N -0.285 108.406 108.800 -0.182 0.000 2.442 606 G HA2 0.506 4.466 3.960 0.001 0.000 0.249 606 G HA3 0.506 4.466 3.960 0.001 0.000 0.249 606 G C -0.586 174.262 174.900 -0.086 0.000 1.263 606 G CA 1.079 46.116 45.100 -0.106 0.000 0.846 606 G HN 0.730 nan 8.290 nan 0.000 0.555 607 D N -0.910 119.454 120.400 -0.060 0.000 2.592 607 D HA 0.611 5.251 4.640 0.001 0.000 0.263 607 D C -0.318 175.962 176.300 -0.034 0.000 1.132 607 D CA -0.445 53.523 54.000 -0.053 0.000 0.996 607 D CB 1.875 42.643 40.800 -0.054 0.000 1.442 607 D HN 0.305 nan 8.370 nan 0.000 0.486 608 T N 0.394 114.926 114.554 -0.036 0.000 3.401 608 T HA 0.455 4.805 4.350 0.001 0.000 0.341 608 T C 0.097 174.780 174.700 -0.028 0.000 1.674 608 T CA -0.607 61.475 62.100 -0.030 0.000 1.600 608 T CB -0.505 68.342 68.868 -0.035 0.000 0.974 608 T HN 0.161 nan 8.240 nan 0.000 0.672 609 L N 1.538 122.743 121.223 -0.030 0.000 2.349 609 L HA 0.547 4.887 4.340 0.001 0.000 0.275 609 L C 0.313 177.158 176.870 -0.042 0.000 1.115 609 L CA -0.634 54.182 54.840 -0.040 0.000 0.820 609 L CB 0.813 42.841 42.059 -0.050 0.000 1.135 609 L HN 0.403 nan 8.230 nan 0.000 0.445 610 S N 3.695 119.369 115.700 -0.044 0.000 2.437 610 S HA 0.591 5.061 4.470 0.001 0.000 0.305 610 S C -0.149 174.419 174.600 -0.053 0.000 1.109 610 S CA -0.600 57.581 58.200 -0.032 0.000 1.099 610 S CB 1.363 64.558 63.200 -0.009 0.000 1.004 610 S HN 0.343 nan 8.310 nan 0.000 0.475 611 I N 2.907 123.455 120.570 -0.037 0.000 2.396 611 I HA 0.354 4.525 4.170 0.001 0.000 0.292 611 I C 0.282 176.412 176.117 0.022 0.000 0.999 611 I CA -0.296 60.986 61.300 -0.029 0.000 1.310 611 I CB 1.054 39.044 38.000 -0.017 0.000 1.404 611 I HN 0.591 nan 8.210 nan 0.000 0.496 612 E N 4.897 125.137 120.200 0.068 0.000 2.312 612 E HA 0.689 5.039 4.350 0.001 0.000 0.267 612 E C -1.494 175.164 176.600 0.097 0.000 0.894 612 E CA -0.840 55.611 56.400 0.085 0.000 0.773 612 E CB 3.150 32.918 29.700 0.112 0.000 1.241 612 E HN 0.237 nan 8.360 nan 0.000 0.432 613 V N 0.852 120.809 119.914 0.072 0.000 2.760 613 V HA 0.524 4.645 4.120 0.001 0.000 0.309 613 V C -0.610 175.521 176.094 0.061 0.000 1.077 613 V CA -0.782 61.566 62.300 0.080 0.000 0.910 613 V CB 1.876 33.739 31.823 0.067 0.000 1.008 613 V HN 0.614 nan 8.190 nan 0.000 0.424 614 S N 3.604 119.361 115.700 0.095 0.000 2.542 614 S HA 0.812 5.282 4.470 0.001 0.000 0.293 614 S C -1.118 173.523 174.600 0.068 0.000 1.089 614 S CA -0.570 57.670 58.200 0.067 0.000 0.961 614 S CB 1.265 64.502 63.200 0.062 0.000 1.062 614 S HN 0.627 nan 8.310 nan 0.000 0.483 615 L N 3.460 124.665 121.223 -0.031 0.000 2.294 615 L HA 0.559 4.899 4.340 0.001 0.000 0.283 615 L C -0.167 176.641 176.870 -0.103 0.000 1.015 615 L CA -0.425 54.324 54.840 -0.153 0.000 0.831 615 L CB 1.633 43.458 42.059 -0.390 0.000 1.217 615 L HN 0.595 nan 8.230 nan 0.000 0.420 616 S N 4.767 120.469 115.700 0.002 0.000 2.521 616 S HA 0.642 5.112 4.470 0.001 0.000 0.295 616 S C -2.578 172.097 174.600 0.125 0.000 1.098 616 S CA -1.503 56.739 58.200 0.071 0.000 0.999 616 S CB 1.910 65.203 63.200 0.156 0.000 1.034 616 S HN 0.192 nan 8.310 nan 0.000 0.483 617 P HA 0.360 nan 4.420 nan 0.000 0.267 617 P C 0.634 178.037 177.300 0.172 0.000 1.195 617 P CA 0.849 64.091 63.100 0.237 0.000 0.773 617 P CB 0.311 32.110 31.700 0.166 0.000 0.837 618 G N 0.433 109.328 108.800 0.158 0.000 2.384 618 G HA2 0.038 3.998 3.960 0.001 0.000 0.113 618 G HA3 0.038 3.998 3.960 0.001 0.000 0.113 618 G C -1.309 173.644 174.900 0.089 0.000 1.224 618 G CA -0.477 44.685 45.100 0.105 0.000 1.126 618 G HN 0.580 nan 8.290 nan 0.000 0.461 619 K N -0.175 120.271 120.400 0.077 0.000 2.295 619 K HA 0.559 4.880 4.320 0.001 0.000 0.239 619 K C 1.438 178.093 176.600 0.093 0.000 0.991 619 K CA -0.115 56.211 56.287 0.065 0.000 0.845 619 K CB 1.727 34.251 32.500 0.040 0.000 1.197 619 K HN 0.671 nan 8.250 nan 0.000 0.441 620 G N 1.158 110.022 108.800 0.107 0.000 2.516 620 G HA2 -0.224 3.737 3.960 0.001 0.000 0.221 620 G HA3 -0.224 3.737 3.960 0.001 0.000 0.221 620 G C 0.550 175.492 174.900 0.069 0.000 1.107 620 G CA 0.783 45.990 45.100 0.178 0.000 0.747 620 G HN 0.450 nan 8.290 nan 0.000 0.567 621 K N 0.437 120.837 120.400 0.001 0.000 2.518 621 K HA 0.213 4.533 4.320 0.001 0.000 0.276 621 K C 0.045 176.567 176.600 -0.131 0.000 0.974 621 K CA 0.055 56.293 56.287 -0.080 0.000 0.986 621 K CB 0.167 32.637 32.500 -0.049 0.000 0.901 621 K HN 0.269 nan 8.250 nan 0.000 0.497 622 L N 3.758 124.854 121.223 -0.212 0.000 2.404 622 L HA 0.589 4.929 4.340 0.001 0.000 0.272 622 L C -1.001 175.772 176.870 -0.163 0.000 0.980 622 L CA -0.901 53.807 54.840 -0.220 0.000 0.836 622 L CB 1.395 43.267 42.059 -0.312 0.000 1.238 622 L HN 0.676 nan 8.230 nan 0.000 0.408 623 I N 5.288 125.762 120.570 -0.159 0.000 2.377 623 I HA 0.502 4.672 4.170 0.001 0.000 0.293 623 I C -1.058 175.078 176.117 0.032 0.000 0.987 623 I CA -0.901 60.371 61.300 -0.047 0.000 1.185 623 I CB 1.583 39.590 38.000 0.013 0.000 1.341 623 I HN 0.724 nan 8.210 nan 0.000 0.455 624 L N 5.490 126.742 121.223 0.049 0.000 2.333 624 L HA 0.780 5.120 4.340 0.001 0.000 0.269 624 L C 0.232 177.162 176.870 0.100 0.000 1.010 624 L CA -0.434 54.459 54.840 0.088 0.000 0.818 624 L CB 1.070 43.166 42.059 0.062 0.000 1.306 624 L HN 0.620 nan 8.230 nan 0.000 0.430 625 T N -2.097 112.537 114.554 0.135 0.000 2.870 625 T HA 0.912 5.262 4.350 0.001 0.000 0.277 625 T C 0.510 175.333 174.700 0.206 0.000 1.000 625 T CA -0.043 62.133 62.100 0.127 0.000 0.982 625 T CB 1.107 70.004 68.868 0.050 0.000 1.249 625 T HN 1.926 nan 8.240 nan 0.000 0.589 626 G N 1.271 110.192 108.800 0.200 0.000 2.512 626 G HA2 -0.186 3.774 3.960 0.001 0.000 0.254 626 G HA3 -0.186 3.774 3.960 0.001 0.000 0.254 626 G C -0.344 174.619 174.900 0.106 0.000 1.199 626 G CA 0.090 45.321 45.100 0.218 0.000 0.941 626 G HN 1.383 nan 8.290 nan 0.000 0.569 627 K N 1.357 121.800 120.400 0.072 0.000 2.491 627 K HA 0.364 4.684 4.320 0.001 0.000 0.279 627 K C 1.654 178.280 176.600 0.042 0.000 1.026 627 K CA 0.268 56.582 56.287 0.045 0.000 1.070 627 K CB 0.521 33.038 32.500 0.027 0.000 0.887 627 K HN 0.530 nan 8.250 nan 0.000 0.481 628 L N 2.715 123.959 121.223 0.035 0.000 2.089 628 L HA -0.178 4.163 4.340 0.001 0.000 0.213 628 L C 1.215 178.099 176.870 0.024 0.000 1.079 628 L CA 1.216 56.073 54.840 0.029 0.000 0.758 628 L CB -1.521 40.551 42.059 0.022 0.000 0.891 628 L HN 1.173 nan 8.230 nan 0.000 0.433 629 G N 0.924 109.737 108.800 0.021 0.000 2.344 629 G HA2 -0.299 3.661 3.960 0.001 0.000 0.204 629 G HA3 -0.299 3.661 3.960 0.001 0.000 0.204 629 G C 0.191 175.098 174.900 0.011 0.000 0.347 629 G CA 0.709 45.818 45.100 0.016 0.000 1.000 629 G HN 0.380 nan 8.290 nan 0.000 0.408 630 D N 0.798 121.203 120.400 0.008 0.000 2.305 630 D HA 0.044 4.684 4.640 0.001 0.000 0.206 630 D C 2.515 178.818 176.300 0.004 0.000 0.974 630 D CA 0.821 54.824 54.000 0.005 0.000 0.871 630 D CB 0.292 41.095 40.800 0.004 0.000 0.947 630 D HN 0.311 nan 8.370 nan 0.000 0.516 631 V N 0.652 120.569 119.914 0.005 0.000 2.515 631 V HA -0.182 3.938 4.120 0.001 0.000 0.250 631 V C 2.352 178.449 176.094 0.006 0.000 1.058 631 V CA 1.004 63.307 62.300 0.004 0.000 1.064 631 V CB -0.311 31.514 31.823 0.003 0.000 0.675 631 V HN 0.299 nan 8.190 nan 0.000 0.461 632 M N -0.492 119.112 119.600 0.008 0.000 2.123 632 M HA -0.081 4.400 4.480 0.001 0.000 0.263 632 M C 2.324 178.630 176.300 0.011 0.000 1.069 632 M CA 1.545 56.852 55.300 0.011 0.000 1.133 632 M CB -1.160 31.449 32.600 0.014 0.000 1.356 632 M HN 0.240 nan 8.290 nan 0.000 0.415 633 R N 0.592 121.095 120.500 0.004 0.000 2.112 633 R HA -0.254 4.086 4.340 0.001 0.000 0.242 633 R C 2.071 178.371 176.300 -0.000 0.000 1.137 633 R CA 2.407 58.504 56.100 -0.006 0.000 0.944 633 R CB -0.334 29.957 30.300 -0.015 0.000 0.857 633 R HN 0.452 nan 8.270 nan 0.000 0.435 634 E N -0.336 119.866 120.200 0.005 0.000 2.068 634 E HA -0.265 4.085 4.350 0.001 0.000 0.207 634 E C 1.936 178.552 176.600 0.026 0.000 1.032 634 E CA 2.183 58.590 56.400 0.012 0.000 0.839 634 E CB -0.262 29.444 29.700 0.010 0.000 0.758 634 E HN 0.260 nan 8.360 nan 0.000 0.457 635 S N -0.587 115.128 115.700 0.025 0.000 2.348 635 S HA -0.197 4.273 4.470 0.001 0.000 0.221 635 S C 1.881 176.514 174.600 0.055 0.000 1.033 635 S CA 1.197 59.417 58.200 0.034 0.000 1.010 635 S CB -0.522 62.691 63.200 0.022 0.000 0.891 635 S HN 0.517 nan 8.310 nan 0.000 0.442 636 A N 1.001 123.850 122.820 0.048 0.000 1.859 636 A HA -0.222 4.098 4.320 0.001 0.000 0.218 636 A C 1.807 179.458 177.584 0.113 0.000 1.209 636 A CA 1.838 53.916 52.037 0.070 0.000 0.639 636 A CB -0.967 18.055 19.000 0.035 0.000 0.835 636 A HN 0.631 nan 8.150 nan 0.000 0.450 637 Q N -0.482 119.349 119.800 0.051 0.000 2.294 637 Q HA 0.254 4.595 4.340 0.001 0.000 0.207 637 Q C 0.788 176.887 176.000 0.165 0.000 0.887 637 Q CA 0.353 56.196 55.803 0.066 0.000 0.987 637 Q CB -0.329 28.376 28.738 -0.055 0.000 1.101 637 Q HN 0.630 nan 8.270 nan 0.000 0.447 638 A N -1.127 121.805 122.820 0.186 0.000 1.780 638 A HA 0.337 4.657 4.320 0.001 0.000 0.208 638 A C 1.805 179.511 177.584 0.204 0.000 1.761 638 A CA 0.557 52.695 52.037 0.169 0.000 1.183 638 A CB -0.550 18.512 19.000 0.104 0.000 1.162 638 A HN 0.426 nan 8.150 nan 0.000 0.472 639 A N -0.570 122.357 122.820 0.178 0.000 1.972 639 A HA -0.009 4.311 4.320 0.001 0.000 0.219 639 A C 1.937 179.679 177.584 0.264 0.000 1.169 639 A CA 1.720 53.859 52.037 0.170 0.000 0.635 639 A CB -0.749 18.320 19.000 0.114 0.000 0.810 639 A HN 0.752 nan 8.150 nan 0.000 0.446 640 F N 1.320 121.350 119.950 0.135 0.000 2.060 640 F HA -0.135 4.392 4.527 0.001 0.000 0.295 640 F C 2.367 178.257 175.800 0.151 0.000 1.120 640 F CA 2.072 60.166 58.000 0.157 0.000 1.205 640 F CB -0.314 38.754 39.000 0.113 0.000 0.986 640 F HN 0.165 nan 8.300 nan 0.000 0.470 641 S N -0.712 115.194 115.700 0.344 0.000 2.595 641 S HA -0.154 4.316 4.470 0.001 0.000 0.235 641 S C 1.315 175.971 174.600 0.092 0.000 0.974 641 S CA 0.740 59.042 58.200 0.170 0.000 0.942 641 S CB -0.779 62.531 63.200 0.183 0.000 0.766 641 S HN 0.630 nan 8.310 nan 0.000 0.536 642 Y N 1.989 122.305 120.300 0.027 0.000 2.159 642 Y HA -0.044 4.506 4.550 0.001 0.000 0.285 642 Y C 2.151 178.049 175.900 -0.004 0.000 1.106 642 Y CA 0.986 59.097 58.100 0.019 0.000 1.095 642 Y CB -0.655 37.829 38.460 0.040 0.000 1.015 642 Y HN 0.013 nan 8.280 nan 0.000 0.491 643 V N 1.962 121.976 119.914 0.167 0.000 2.439 643 V HA -0.377 3.743 4.120 0.001 0.000 0.253 643 V C 2.544 178.621 176.094 -0.028 0.000 1.074 643 V CA 2.034 64.373 62.300 0.066 0.000 1.076 643 V CB -0.830 31.075 31.823 0.137 0.000 0.664 643 V HN 0.388 nan 8.190 nan 0.000 0.461 644 R N 0.877 121.286 120.500 -0.152 0.000 2.133 644 R HA -0.193 4.147 4.340 0.001 0.000 0.245 644 R C 2.461 178.660 176.300 -0.168 0.000 1.137 644 R CA 2.231 58.183 56.100 -0.246 0.000 0.947 644 R CB -0.929 29.185 30.300 -0.310 0.000 0.865 644 R HN 0.795 nan 8.270 nan 0.000 0.437 645 S N 0.733 116.310 115.700 -0.205 0.000 2.272 645 S HA -0.033 4.437 4.470 0.001 0.000 0.161 645 S C 0.363 174.842 174.600 -0.202 0.000 1.293 645 S CA -0.065 58.012 58.200 -0.204 0.000 2.027 645 S CB -0.409 62.643 63.200 -0.247 0.000 0.565 645 S HN -0.000 nan 8.310 nan 0.000 0.364 646 K N 2.607 122.817 120.400 -0.316 0.000 2.049 646 K HA 0.103 4.423 4.320 0.001 0.000 0.246 646 K C 0.575 177.109 176.600 -0.111 0.000 1.240 646 K CA 0.558 56.712 56.287 -0.222 0.000 1.305 646 K CB -1.006 31.314 32.500 -0.300 0.000 0.861 646 K HN 0.498 nan 8.250 nan 0.000 0.407 647 T N 0.926 115.455 114.554 -0.041 0.000 3.480 647 T HA -0.077 4.273 4.350 0.001 0.000 0.229 647 T C 1.478 176.195 174.700 0.027 0.000 0.944 647 T CA 0.319 62.434 62.100 0.025 0.000 1.388 647 T CB -0.104 68.805 68.868 0.068 0.000 1.180 647 T HN 0.692 nan 8.240 nan 0.000 0.414 648 E N 1.920 122.133 120.200 0.022 0.000 2.187 648 E HA -0.262 4.088 4.350 0.001 0.000 0.199 648 E C 1.845 178.452 176.600 0.012 0.000 1.004 648 E CA 1.595 58.005 56.400 0.018 0.000 0.813 648 E CB -0.346 29.360 29.700 0.010 0.000 0.736 648 E HN 0.580 nan 8.360 nan 0.000 0.468 649 E N -0.033 120.170 120.200 0.006 0.000 2.396 649 E HA -0.159 4.191 4.350 0.001 0.000 0.200 649 E C 1.398 178.009 176.600 0.019 0.000 1.023 649 E CA 0.620 57.024 56.400 0.007 0.000 0.857 649 E CB 0.139 29.837 29.700 -0.003 0.000 0.775 649 E HN 0.324 nan 8.360 nan 0.000 0.525 650 L N -1.177 120.061 121.223 0.024 0.000 2.920 650 L HA 0.337 4.678 4.340 0.001 0.000 0.257 650 L C 0.355 177.237 176.870 0.021 0.000 1.150 650 L CA 1.083 55.943 54.840 0.034 0.000 0.959 650 L CB 1.195 43.286 42.059 0.053 0.000 1.321 650 L HN 0.060 nan 8.230 nan 0.000 0.555 651 G N 1.852 110.661 108.800 0.016 0.000 2.799 651 G HA2 -0.093 3.867 3.960 0.001 0.000 0.271 651 G HA3 -0.093 3.867 3.960 0.001 0.000 0.271 651 G C -0.662 174.241 174.900 0.005 0.000 1.067 651 G CA 0.289 45.395 45.100 0.011 0.000 1.251 651 G HN 0.586 nan 8.290 nan 0.000 0.560 652 I N -0.496 120.082 120.570 0.014 0.000 2.744 652 I HA 0.380 4.550 4.170 0.001 0.000 0.285 652 I C -0.047 176.105 176.117 0.058 0.000 1.530 652 I CA -1.262 60.044 61.300 0.009 0.000 1.064 652 I CB 1.215 39.184 38.000 -0.052 0.000 1.429 652 I HN 0.570 nan 8.210 nan 0.000 0.425 653 E N 7.996 128.234 120.200 0.063 0.000 2.406 653 E HA 0.095 4.445 4.350 0.001 0.000 0.247 653 E C -2.016 174.662 176.600 0.130 0.000 1.160 653 E CA -1.152 55.288 56.400 0.067 0.000 0.950 653 E CB -0.080 29.637 29.700 0.028 0.000 0.993 653 E HN 0.428 nan 8.360 nan 0.000 0.472 654 P HA -0.185 nan 4.420 nan 0.000 0.222 654 P C 0.395 177.678 177.300 -0.029 0.000 1.142 654 P CA 1.163 64.318 63.100 0.092 0.000 0.788 654 P CB 0.117 31.837 31.700 0.032 0.000 0.767 655 D N -1.567 118.796 120.400 -0.061 0.000 2.663 655 D HA -0.015 4.625 4.640 0.001 0.000 0.243 655 D C 0.922 177.095 176.300 -0.211 0.000 1.218 655 D CA -0.192 53.702 54.000 -0.177 0.000 0.846 655 D CB -0.896 39.822 40.800 -0.136 0.000 1.014 655 D HN 0.175 nan 8.370 nan 0.000 0.476 656 F N -0.523 119.276 119.950 -0.253 0.000 2.298 656 F HA 0.102 4.629 4.527 0.001 0.000 0.282 656 F C 2.013 177.758 175.800 -0.092 0.000 1.045 656 F CA 0.388 58.262 58.000 -0.210 0.000 1.280 656 F CB -0.737 38.257 39.000 -0.009 0.000 1.114 656 F HN 0.056 nan 8.300 nan 0.000 0.546 657 H N -0.443 117.863 119.070 -1.273 0.000 2.566 657 H HA 0.022 4.579 4.556 0.001 0.000 0.285 657 H C 1.551 176.758 175.328 -0.203 0.000 1.041 657 H CA 1.560 57.185 56.048 -0.705 0.000 1.207 657 H CB -0.754 28.511 29.762 -0.828 0.000 1.353 657 H HN 0.643 nan 8.280 nan 0.000 0.604 658 E N 0.055 119.934 120.200 -0.535 0.000 2.251 658 E HA 0.052 4.402 4.350 0.001 0.000 0.194 658 E C 0.430 176.950 176.600 -0.134 0.000 0.964 658 E CA 0.136 56.348 56.400 -0.312 0.000 0.868 658 E CB 0.498 29.953 29.700 -0.409 0.000 0.828 658 E HN 0.165 nan 8.360 nan 0.000 0.481 659 K N 0.043 120.361 120.400 -0.137 0.000 3.165 659 K HA 0.246 4.566 4.320 0.001 0.000 0.206 659 K C -1.389 175.210 176.600 -0.001 0.000 1.123 659 K CA -0.074 56.163 56.287 -0.084 0.000 0.978 659 K CB 0.754 33.163 32.500 -0.152 0.000 0.749 659 K HN 0.117 nan 8.250 nan 0.000 0.454 660 Y N -0.892 119.476 120.300 0.113 0.000 2.625 660 Y HA 0.310 4.860 4.550 0.001 0.000 0.338 660 Y C -0.815 175.171 175.900 0.143 0.000 1.123 660 Y CA -1.215 56.978 58.100 0.155 0.000 1.046 660 Y CB 2.620 41.233 38.460 0.256 0.000 1.299 660 Y HN -0.086 nan 8.280 nan 0.000 0.464 661 D N 2.461 123.016 120.400 0.259 0.000 2.686 661 D HA 0.299 4.940 4.640 0.001 0.000 0.249 661 D C -1.075 175.213 176.300 -0.020 0.000 1.260 661 D CA -0.279 53.775 54.000 0.090 0.000 0.910 661 D CB 1.624 42.441 40.800 0.028 0.000 1.323 661 D HN 0.530 nan 8.370 nan 0.000 0.561 662 I N 0.590 121.150 120.570 -0.018 0.000 2.331 662 I HA 0.470 4.640 4.170 0.001 0.000 0.292 662 I C -0.753 175.260 176.117 -0.173 0.000 0.998 662 I CA -0.399 60.898 61.300 -0.006 0.000 1.267 662 I CB 1.298 39.415 38.000 0.194 0.000 1.386 662 I HN 0.160 nan 8.210 nan 0.000 0.476 663 H N 7.418 126.519 119.070 0.052 0.000 2.476 663 H HA 0.593 5.150 4.556 0.001 0.000 0.328 663 H C -0.570 174.791 175.328 0.055 0.000 1.073 663 H CA -0.448 55.625 56.048 0.040 0.000 1.229 663 H CB 2.328 32.102 29.762 0.020 0.000 1.432 663 H HN 0.592 nan 8.280 nan 0.000 0.477 664 I N 2.528 123.201 120.570 0.172 0.000 2.569 664 I HA 0.122 4.293 4.170 0.001 0.000 0.296 664 I C -0.337 175.895 176.117 0.191 0.000 1.028 664 I CA -0.719 60.669 61.300 0.148 0.000 1.082 664 I CB 2.091 40.152 38.000 0.103 0.000 1.264 664 I HN 0.498 nan 8.210 nan 0.000 0.429 665 H N 5.140 124.240 119.070 0.051 0.000 2.727 665 H HA 0.580 5.137 4.556 0.001 0.000 0.330 665 H C -1.638 173.708 175.328 0.029 0.000 0.986 665 H CA -0.738 55.332 56.048 0.037 0.000 1.251 665 H CB 1.434 31.213 29.762 0.028 0.000 1.493 665 H HN 0.219 nan 8.280 nan 0.000 0.515 666 V N 7.247 127.073 119.914 -0.147 0.000 2.304 666 V HA 0.345 4.465 4.120 0.001 0.000 0.278 666 V C -2.317 173.609 176.094 -0.281 0.000 1.018 666 V CA -1.838 60.338 62.300 -0.207 0.000 0.814 666 V CB 0.725 32.511 31.823 -0.062 0.000 1.021 666 V HN 0.717 nan 8.190 nan 0.000 0.440 667 P HA 0.140 nan 4.420 nan 0.000 0.269 667 P C 0.185 177.424 177.300 -0.101 0.000 1.209 667 P CA 0.037 62.971 63.100 -0.276 0.000 0.776 667 P CB 0.597 32.166 31.700 -0.218 0.000 0.876 668 E N 0.840 121.020 120.200 -0.033 0.000 2.404 668 E HA 0.344 4.695 4.350 0.001 0.000 0.261 668 E C 0.977 177.572 176.600 -0.008 0.000 1.074 668 E CA 0.261 56.657 56.400 -0.006 0.000 0.917 668 E CB 0.215 29.925 29.700 0.017 0.000 0.965 668 E HN 0.713 nan 8.360 nan 0.000 0.433 669 G N 0.895 109.696 108.800 0.002 0.000 3.876 669 G HA2 -0.096 3.864 3.960 0.001 0.000 0.203 669 G HA3 -0.096 3.864 3.960 0.001 0.000 0.203 669 G C 0.136 175.049 174.900 0.022 0.000 1.162 669 G CA -0.220 44.883 45.100 0.005 0.000 0.903 669 G HN 0.755 nan 8.290 nan 0.000 0.390 670 A N 1.004 123.838 122.820 0.024 0.000 2.540 670 A HA 0.547 4.868 4.320 0.001 0.000 0.239 670 A C 0.583 178.203 177.584 0.059 0.000 1.061 670 A CA 0.566 52.634 52.037 0.051 0.000 0.758 670 A CB 0.674 19.694 19.000 0.033 0.000 0.991 670 A HN 1.198 nan 8.150 nan 0.000 0.502 671 V N 5.690 125.664 119.914 0.100 0.000 2.607 671 V HA 0.207 4.327 4.120 0.001 0.000 0.289 671 V C -1.031 175.085 176.094 0.036 0.000 1.053 671 V CA -1.290 61.059 62.300 0.082 0.000 0.996 671 V CB 1.245 33.153 31.823 0.141 0.000 0.995 671 V HN 0.935 nan 8.190 nan 0.000 0.476 672 P HA -0.348 nan 4.420 nan 0.000 0.216 672 P C 1.607 178.900 177.300 -0.012 0.000 1.062 672 P CA 2.231 65.333 63.100 0.004 0.000 0.995 672 P CB -0.158 31.543 31.700 0.002 0.000 0.762 673 K N -0.041 120.340 120.400 -0.031 0.000 2.189 673 K HA -0.251 4.070 4.320 0.001 0.000 0.207 673 K C 1.394 177.960 176.600 -0.056 0.000 1.046 673 K CA 2.480 58.734 56.287 -0.055 0.000 0.928 673 K CB -0.664 31.780 32.500 -0.094 0.000 0.720 673 K HN 0.062 nan 8.250 nan 0.000 0.458 674 D N -0.740 119.633 120.400 -0.045 0.000 2.369 674 D HA 0.125 4.766 4.640 0.001 0.000 0.211 674 D C 1.516 177.812 176.300 -0.006 0.000 1.077 674 D CA 0.572 54.553 54.000 -0.032 0.000 0.842 674 D CB 0.270 41.063 40.800 -0.012 0.000 0.947 674 D HN 0.374 nan 8.370 nan 0.000 0.509 675 G N 1.605 110.402 108.800 -0.004 0.000 2.553 675 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 675 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 675 G C -0.610 174.289 174.900 -0.002 0.000 1.195 675 G CA 0.702 45.802 45.100 0.000 0.000 0.779 675 G HN 0.334 nan 8.290 nan 0.000 0.577 676 P HA 0.134 nan 4.420 nan 0.000 0.239 676 P C 1.385 178.680 177.300 -0.009 0.000 1.184 676 P CA 1.094 64.191 63.100 -0.006 0.000 0.760 676 P CB -0.016 31.678 31.700 -0.010 0.000 0.884 677 A N -0.254 122.561 122.820 -0.009 0.000 2.235 677 A HA 0.288 4.609 4.320 0.001 0.000 0.208 677 A C 1.843 179.425 177.584 -0.004 0.000 1.172 677 A CA 0.960 52.992 52.037 -0.008 0.000 0.786 677 A CB -0.841 18.156 19.000 -0.004 0.000 0.804 677 A HN 0.203 nan 8.150 nan 0.000 0.479 678 A N -1.113 121.705 122.820 -0.003 0.000 2.430 678 A HA 0.479 4.799 4.320 0.001 0.000 0.243 678 A C 1.873 179.456 177.584 -0.002 0.000 1.254 678 A CA 0.802 52.837 52.037 -0.002 0.000 0.914 678 A CB -0.574 18.425 19.000 -0.003 0.000 0.998 678 A HN 0.518 nan 8.150 nan 0.000 0.515 679 G N 1.945 110.743 108.800 -0.004 0.000 2.587 679 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 679 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 679 G C 1.530 176.420 174.900 -0.017 0.000 1.240 679 G CA 1.507 46.604 45.100 -0.005 0.000 0.794 679 G HN 0.931 nan 8.290 nan 0.000 0.580 680 I N -0.770 119.781 120.570 -0.031 0.000 2.423 680 I HA -0.122 4.048 4.170 0.001 0.000 0.254 680 I C 2.374 178.477 176.117 -0.024 0.000 1.151 680 I CA 1.989 63.264 61.300 -0.042 0.000 1.421 680 I CB -0.787 37.188 38.000 -0.042 0.000 1.079 680 I HN 0.082 nan 8.210 nan 0.000 0.431 681 T N 2.849 117.396 114.554 -0.011 0.000 2.643 681 T HA -0.091 4.260 4.350 0.001 0.000 0.256 681 T C 1.936 176.639 174.700 0.005 0.000 1.061 681 T CA 2.107 64.204 62.100 -0.004 0.000 1.163 681 T CB -0.482 68.383 68.868 -0.005 0.000 0.865 681 T HN 0.473 nan 8.240 nan 0.000 0.407 682 M N 1.983 121.591 119.600 0.013 0.000 2.089 682 M HA -0.120 4.360 4.480 0.001 0.000 0.257 682 M C 2.658 178.983 176.300 0.041 0.000 1.071 682 M CA 1.986 57.306 55.300 0.033 0.000 1.096 682 M CB -1.136 31.491 32.600 0.046 0.000 1.330 682 M HN 0.254 nan 8.290 nan 0.000 0.403 683 A N 1.144 123.980 122.820 0.027 0.000 1.842 683 A HA -0.201 4.119 4.320 0.001 0.000 0.217 683 A C 2.321 179.913 177.584 0.012 0.000 1.206 683 A CA 2.886 54.934 52.037 0.019 0.000 0.630 683 A CB -1.600 17.374 19.000 -0.043 0.000 0.839 683 A HN 0.576 nan 8.150 nan 0.000 0.447 684 T N 0.386 114.937 114.554 -0.005 0.000 2.624 684 T HA -0.259 4.092 4.350 0.001 0.000 0.266 684 T C 2.097 176.801 174.700 0.008 0.000 1.050 684 T CA 2.585 64.684 62.100 -0.001 0.000 1.163 684 T CB -0.794 68.073 68.868 -0.002 0.000 0.861 684 T HN 0.736 nan 8.240 nan 0.000 0.443 685 A N 1.748 124.576 122.820 0.014 0.000 1.834 685 A HA -0.022 4.299 4.320 0.001 0.000 0.216 685 A C 2.289 179.883 177.584 0.016 0.000 1.203 685 A CA 1.527 53.575 52.037 0.017 0.000 0.621 685 A CB -1.184 17.831 19.000 0.026 0.000 0.841 685 A HN 0.457 nan 8.150 nan 0.000 0.446 686 L N -0.073 121.171 121.223 0.035 0.000 2.123 686 L HA -0.234 4.106 4.340 0.001 0.000 0.217 686 L C 2.404 179.265 176.870 -0.015 0.000 1.081 686 L CA 2.329 57.191 54.840 0.037 0.000 0.772 686 L CB -0.516 41.600 42.059 0.095 0.000 0.890 686 L HN 0.296 nan 8.230 nan 0.000 0.437 687 V N -1.215 118.695 119.914 -0.007 0.000 2.273 687 V HA -0.203 3.918 4.120 0.001 0.000 0.242 687 V C 2.654 178.727 176.094 -0.034 0.000 1.035 687 V CA 1.648 63.931 62.300 -0.028 0.000 1.013 687 V CB -0.071 31.757 31.823 0.009 0.000 0.652 687 V HN 0.537 nan 8.190 nan 0.000 0.452 688 S N -0.090 115.600 115.700 -0.016 0.000 2.440 688 S HA -0.202 4.268 4.470 0.001 0.000 0.240 688 S C 1.880 176.465 174.600 -0.025 0.000 1.014 688 S CA 1.734 59.925 58.200 -0.016 0.000 0.980 688 S CB -0.217 62.979 63.200 -0.007 0.000 0.775 688 S HN 0.602 nan 8.310 nan 0.000 0.499 689 A N 0.547 123.347 122.820 -0.034 0.000 1.911 689 A HA 0.339 4.659 4.320 0.001 0.000 0.212 689 A C 2.135 179.672 177.584 -0.078 0.000 1.189 689 A CA 0.538 52.547 52.037 -0.046 0.000 0.639 689 A CB -0.489 18.490 19.000 -0.034 0.000 0.839 689 A HN 0.533 nan 8.150 nan 0.000 0.449 690 L N -0.042 121.117 121.223 -0.108 0.000 2.179 690 L HA -0.063 4.277 4.340 0.001 0.000 0.208 690 L C 2.401 179.218 176.870 -0.088 0.000 1.096 690 L CA 1.711 56.459 54.840 -0.154 0.000 0.779 690 L CB -0.101 41.774 42.059 -0.307 0.000 0.922 690 L HN 0.606 nan 8.230 nan 0.000 0.443 691 T N -3.885 110.630 114.554 -0.065 0.000 3.186 691 T HA 0.199 4.549 4.350 0.001 0.000 0.257 691 T C 1.370 176.058 174.700 -0.020 0.000 1.029 691 T CA 0.296 62.376 62.100 -0.034 0.000 0.916 691 T CB 0.328 69.180 68.868 -0.027 0.000 1.041 691 T HN 0.418 nan 8.240 nan 0.000 0.562 692 G N 1.906 110.692 108.800 -0.023 0.000 2.225 692 G HA2 -0.359 3.601 3.960 0.001 0.000 0.272 692 G HA3 -0.359 3.601 3.960 0.001 0.000 0.272 692 G C 0.830 175.723 174.900 -0.012 0.000 0.996 692 G CA 0.942 46.033 45.100 -0.015 0.000 0.710 692 G HN 0.621 nan 8.290 nan 0.000 0.522 693 R N 0.154 120.646 120.500 -0.013 0.000 0.882 693 R HA 0.563 4.904 4.340 0.001 0.000 0.048 693 R C 0.650 176.944 176.300 -0.009 0.000 0.434 693 R CA 0.743 56.837 56.100 -0.010 0.000 2.152 693 R CB -0.048 30.247 30.300 -0.008 0.000 0.480 693 R HN 1.156 nan 8.270 nan 0.000 0.799 694 A N -0.136 122.679 122.820 -0.008 0.000 2.483 694 A HA 0.238 4.559 4.320 0.001 0.000 0.315 694 A C -0.977 176.604 177.584 -0.006 0.000 1.027 694 A CA -0.727 51.306 52.037 -0.007 0.000 0.996 694 A CB 0.449 19.444 19.000 -0.008 0.000 1.288 694 A HN 0.216 nan 8.150 nan 0.000 0.371 695 V N 1.939 121.851 119.914 -0.004 0.000 2.740 695 V HA 0.325 4.445 4.120 0.001 0.000 0.303 695 V C 1.337 177.428 176.094 -0.006 0.000 1.054 695 V CA 0.651 62.949 62.300 -0.003 0.000 1.106 695 V CB 1.753 33.575 31.823 -0.002 0.000 0.957 695 V HN 1.132 nan 8.190 nan 0.000 0.486 696 S N 5.087 120.783 115.700 -0.005 0.000 2.430 696 S HA 0.123 4.593 4.470 0.001 0.000 0.282 696 S C 1.561 176.152 174.600 -0.015 0.000 1.186 696 S CA -0.484 57.710 58.200 -0.010 0.000 1.060 696 S CB 0.067 63.263 63.200 -0.007 0.000 0.966 696 S HN 0.796 nan 8.310 nan 0.000 0.501 697 R N 3.873 124.361 120.500 -0.020 0.000 2.226 697 R HA -0.183 4.157 4.340 0.001 0.000 0.246 697 R C 1.093 177.370 176.300 -0.038 0.000 1.161 697 R CA 2.050 58.135 56.100 -0.026 0.000 0.997 697 R CB -0.439 29.845 30.300 -0.027 0.000 0.870 697 R HN 0.683 nan 8.270 nan 0.000 0.465 698 E N 0.971 121.147 120.200 -0.039 0.000 2.208 698 E HA 0.005 4.355 4.350 0.001 0.000 0.193 698 E C 0.071 176.640 176.600 -0.051 0.000 0.988 698 E CA 0.662 57.030 56.400 -0.053 0.000 0.828 698 E CB 0.290 29.962 29.700 -0.047 0.000 0.763 698 E HN 0.128 nan 8.360 nan 0.000 0.478 699 V N 1.260 121.154 119.914 -0.033 0.000 2.498 699 V HA 0.352 4.472 4.120 0.001 0.000 0.279 699 V C 0.481 176.557 176.094 -0.031 0.000 1.048 699 V CA -0.499 61.784 62.300 -0.029 0.000 0.967 699 V CB 1.304 33.124 31.823 -0.004 0.000 0.988 699 V HN 0.085 nan 8.190 nan 0.000 0.473 700 G N 5.192 113.969 108.800 -0.039 0.000 2.415 700 G HA2 0.731 4.692 3.960 0.001 0.000 0.327 700 G HA3 0.731 4.692 3.960 0.001 0.000 0.327 700 G C -0.682 174.208 174.900 -0.018 0.000 1.182 700 G CA -0.771 44.312 45.100 -0.028 0.000 0.924 700 G HN 0.814 nan 8.290 nan 0.000 0.470 701 M N 0.652 120.248 119.600 -0.007 0.000 2.591 701 M HA 0.868 5.349 4.480 0.001 0.000 0.306 701 M C -1.009 175.294 176.300 0.006 0.000 1.190 701 M CA -0.727 54.573 55.300 0.000 0.000 0.889 701 M CB 2.753 35.351 32.600 -0.003 0.000 1.728 701 M HN 0.386 nan 8.290 nan 0.000 0.458 702 T N 0.699 115.260 114.554 0.011 0.000 3.041 702 T HA 0.832 5.182 4.350 0.001 0.000 0.321 702 T C -1.089 173.611 174.700 0.001 0.000 1.184 702 T CA 0.067 62.173 62.100 0.010 0.000 1.050 702 T CB 1.709 70.592 68.868 0.025 0.000 1.159 702 T HN 1.333 nan 8.240 nan 0.000 0.469 703 G N 2.613 111.407 108.800 -0.009 0.000 2.429 703 G HA2 0.408 4.369 3.960 0.001 0.000 0.300 703 G HA3 0.408 4.369 3.960 0.001 0.000 0.300 703 G C -1.683 173.201 174.900 -0.027 0.000 1.598 703 G CA -0.748 44.339 45.100 -0.021 0.000 0.863 703 G HN 0.770 nan 8.290 nan 0.000 0.614 704 E N 0.336 120.518 120.200 -0.032 0.000 2.301 704 E HA 0.564 4.914 4.350 0.001 0.000 0.275 704 E C -0.598 175.980 176.600 -0.037 0.000 1.030 704 E CA -0.666 55.717 56.400 -0.029 0.000 0.852 704 E CB 1.152 30.836 29.700 -0.027 0.000 1.060 704 E HN 0.284 nan 8.360 nan 0.000 0.401 705 I N 2.578 123.132 120.570 -0.026 0.000 2.607 705 I HA 0.297 4.467 4.170 0.001 0.000 0.305 705 I C -0.051 176.063 176.117 -0.006 0.000 0.995 705 I CA -0.156 61.126 61.300 -0.031 0.000 1.148 705 I CB 1.935 39.919 38.000 -0.027 0.000 1.323 705 I HN 0.648 nan 8.210 nan 0.000 0.461 706 T N 3.433 117.990 114.554 0.005 0.000 2.916 706 T HA 0.448 4.798 4.350 0.001 0.000 0.292 706 T C 1.231 175.986 174.700 0.091 0.000 1.055 706 T CA -0.688 61.435 62.100 0.038 0.000 1.009 706 T CB 0.825 69.709 68.868 0.027 0.000 1.118 706 T HN 0.445 nan 8.240 nan 0.000 0.497 707 L N 0.736 122.018 121.223 0.098 0.000 2.030 707 L HA -0.208 4.132 4.340 0.001 0.000 0.222 707 L C 3.006 179.994 176.870 0.196 0.000 1.082 707 L CA 1.615 56.533 54.840 0.131 0.000 0.785 707 L CB -0.391 41.719 42.059 0.085 0.000 0.895 707 L HN 0.689 nan 8.230 nan 0.000 0.439 708 R N -0.330 120.270 120.500 0.166 0.000 2.241 708 R HA -0.061 4.280 4.340 0.001 0.000 0.224 708 R C 1.446 177.977 176.300 0.384 0.000 1.101 708 R CA 1.046 57.267 56.100 0.202 0.000 0.995 708 R CB -0.445 29.943 30.300 0.147 0.000 0.870 708 R HN 0.639 nan 8.270 nan 0.000 0.463 709 G N 0.860 109.860 108.800 0.333 0.000 2.168 709 G HA2 -0.245 3.716 3.960 0.001 0.000 0.197 709 G HA3 -0.245 3.716 3.960 0.001 0.000 0.197 709 G C -0.070 174.852 174.900 0.036 0.000 0.997 709 G CA -0.242 44.947 45.100 0.149 0.000 0.658 709 G HN 0.245 nan 8.290 nan 0.000 0.513 710 R N -0.356 120.164 120.500 0.034 0.000 2.679 710 R HA 0.437 4.777 4.340 0.001 0.000 0.268 710 R C 0.214 176.430 176.300 -0.140 0.000 1.044 710 R CA 0.200 56.227 56.100 -0.121 0.000 1.105 710 R CB 0.953 31.208 30.300 -0.075 0.000 0.989 710 R HN 0.083 nan 8.270 nan 0.000 0.447 711 V N 5.746 125.540 119.914 -0.201 0.000 2.293 711 V HA 0.226 4.347 4.120 0.001 0.000 0.275 711 V C 0.148 176.176 176.094 -0.110 0.000 1.021 711 V CA -0.458 61.763 62.300 -0.133 0.000 0.815 711 V CB 0.680 32.430 31.823 -0.120 0.000 1.025 711 V HN 0.554 nan 8.190 nan 0.000 0.448 712 L N 5.927 127.103 121.223 -0.078 0.000 2.468 712 L HA 0.464 4.805 4.340 0.001 0.000 0.254 712 L C -2.098 174.741 176.870 -0.052 0.000 1.171 712 L CA -1.865 52.938 54.840 -0.061 0.000 0.809 712 L CB 0.891 42.922 42.059 -0.046 0.000 1.155 712 L HN 0.345 nan 8.230 nan 0.000 0.473 713 P HA 0.125 nan 4.420 nan 0.000 0.269 713 P C -0.828 176.448 177.300 -0.040 0.000 1.209 713 P CA 0.044 63.119 63.100 -0.043 0.000 0.776 713 P CB 0.647 32.321 31.700 -0.042 0.000 0.876 714 I N 1.069 121.616 120.570 -0.037 0.000 2.957 714 I HA 0.580 4.750 4.170 0.001 0.000 0.310 714 I C 0.472 176.562 176.117 -0.045 0.000 1.063 714 I CA -0.744 60.535 61.300 -0.034 0.000 1.033 714 I CB 1.722 39.711 38.000 -0.018 0.000 1.230 714 I HN 0.349 nan 8.210 nan 0.000 0.447 715 G N 1.764 110.529 108.800 -0.059 0.000 2.367 715 G HA2 0.492 4.452 3.960 0.001 0.000 0.314 715 G HA3 0.492 4.452 3.960 0.001 0.000 0.314 715 G C 0.312 175.164 174.900 -0.080 0.000 1.130 715 G CA -0.167 44.872 45.100 -0.101 0.000 0.864 715 G HN 1.257 nan 8.290 nan 0.000 0.486 716 G N 0.796 109.547 108.800 -0.082 0.000 2.386 716 G HA2 -0.246 3.715 3.960 0.001 0.000 0.295 716 G HA3 -0.246 3.715 3.960 0.001 0.000 0.295 716 G C 1.019 175.969 174.900 0.084 0.000 0.979 716 G CA 0.391 45.501 45.100 0.017 0.000 1.193 716 G HN 0.765 nan 8.290 nan 0.000 0.508 717 L N -0.735 120.510 121.223 0.038 0.000 2.127 717 L HA -0.123 4.217 4.340 0.001 0.000 0.211 717 L C 2.851 179.768 176.870 0.078 0.000 1.089 717 L CA 2.587 57.460 54.840 0.055 0.000 0.757 717 L CB -0.271 41.794 42.059 0.010 0.000 0.899 717 L HN 0.665 nan 8.230 nan 0.000 0.434 718 K N 0.310 120.744 120.400 0.057 0.000 1.969 718 K HA -0.270 4.050 4.320 0.001 0.000 0.216 718 K C 1.778 178.421 176.600 0.071 0.000 1.048 718 K CA 2.220 58.539 56.287 0.053 0.000 0.948 718 K CB -0.070 32.448 32.500 0.030 0.000 0.726 718 K HN 0.201 nan 8.250 nan 0.000 0.442 719 E N 0.718 120.966 120.200 0.081 0.000 2.118 719 E HA -0.178 4.172 4.350 0.001 0.000 0.195 719 E C 1.963 178.589 176.600 0.044 0.000 0.992 719 E CA 1.542 57.966 56.400 0.041 0.000 0.804 719 E CB -0.000 29.709 29.700 0.016 0.000 0.741 719 E HN 0.289 nan 8.360 nan 0.000 0.458 720 K N -0.072 120.384 120.400 0.094 0.000 2.032 720 K HA -0.093 4.228 4.320 0.001 0.000 0.209 720 K C 2.071 178.718 176.600 0.078 0.000 1.048 720 K CA 1.384 57.721 56.287 0.083 0.000 0.927 720 K CB -0.162 32.401 32.500 0.105 0.000 0.712 720 K HN 0.159 nan 8.250 nan 0.000 0.441 721 A N 0.518 123.409 122.820 0.118 0.000 2.016 721 A HA -0.057 4.263 4.320 0.001 0.000 0.217 721 A C 1.920 179.571 177.584 0.111 0.000 1.162 721 A CA 0.618 52.735 52.037 0.133 0.000 0.662 721 A CB -0.283 18.890 19.000 0.289 0.000 0.812 721 A HN 0.192 nan 8.150 nan 0.000 0.450 722 L N 0.115 121.395 121.223 0.095 0.000 2.017 722 L HA -0.054 4.286 4.340 0.001 0.000 0.208 722 L C 2.320 179.244 176.870 0.090 0.000 1.073 722 L CA 2.324 57.216 54.840 0.086 0.000 0.745 722 L CB -0.922 41.163 42.059 0.043 0.000 0.894 722 L HN 0.311 nan 8.230 nan 0.000 0.432 723 G N -2.183 106.642 108.800 0.042 0.000 2.813 723 G HA2 0.058 4.018 3.960 0.001 0.000 0.209 723 G HA3 0.058 4.018 3.960 0.001 0.000 0.209 723 G C 1.443 176.353 174.900 0.018 0.000 1.150 723 G CA 0.534 45.641 45.100 0.012 0.000 0.785 723 G HN 0.573 nan 8.290 nan 0.000 0.535 724 A N -0.253 122.593 122.820 0.042 0.000 1.975 724 A HA 0.057 4.377 4.320 0.001 0.000 0.215 724 A C 1.951 179.562 177.584 0.046 0.000 1.170 724 A CA 1.365 53.415 52.037 0.021 0.000 0.656 724 A CB -0.569 18.436 19.000 0.009 0.000 0.821 724 A HN 0.505 nan 8.150 nan 0.000 0.449 725 H N -0.689 118.375 119.070 -0.011 0.000 2.403 725 H HA 0.053 4.610 4.556 0.001 0.000 0.298 725 H C 2.310 177.690 175.328 0.087 0.000 1.059 725 H CA 1.135 57.194 56.048 0.018 0.000 1.363 725 H CB 0.059 29.836 29.762 0.026 0.000 1.410 725 H HN 0.411 nan 8.280 nan 0.000 0.528 726 R N 0.342 120.856 120.500 0.023 0.000 2.091 726 R HA -0.068 4.273 4.340 0.001 0.000 0.238 726 R C 2.157 178.476 176.300 0.031 0.000 1.136 726 R CA 1.402 57.481 56.100 -0.034 0.000 0.959 726 R CB -0.135 30.146 30.300 -0.031 0.000 0.856 726 R HN 0.297 nan 8.270 nan 0.000 0.437 727 A N -0.472 122.359 122.820 0.017 0.000 2.251 727 A HA 0.251 4.571 4.320 0.001 0.000 0.209 727 A C 0.827 178.347 177.584 -0.106 0.000 1.187 727 A CA 0.512 52.561 52.037 0.021 0.000 0.823 727 A CB -0.148 18.826 19.000 -0.044 0.000 0.846 727 A HN 0.447 nan 8.150 nan 0.000 0.486 728 G N -0.444 108.272 108.800 -0.139 0.000 2.351 728 G HA2 -0.141 3.820 3.960 0.001 0.000 0.297 728 G HA3 -0.141 3.820 3.960 0.001 0.000 0.297 728 G C -0.352 174.314 174.900 -0.389 0.000 1.054 728 G CA 0.229 44.999 45.100 -0.550 0.000 1.123 728 G HN 0.318 nan 8.290 nan 0.000 0.512 729 L N -0.500 120.610 121.223 -0.188 0.000 2.387 729 L HA 0.720 5.061 4.340 0.001 0.000 0.266 729 L C 1.755 178.558 176.870 -0.111 0.000 1.059 729 L CA 0.374 55.128 54.840 -0.144 0.000 0.801 729 L CB 1.058 43.058 42.059 -0.099 0.000 1.223 729 L HN 0.244 nan 8.230 nan 0.000 0.456 730 T N -1.549 112.945 114.554 -0.100 0.000 2.904 730 T HA 0.070 4.420 4.350 0.001 0.000 0.243 730 T C 0.342 174.978 174.700 -0.107 0.000 1.024 730 T CA 0.704 62.754 62.100 -0.083 0.000 1.158 730 T CB 0.098 68.928 68.868 -0.063 0.000 0.867 730 T HN 0.664 nan 8.240 nan 0.000 0.429 731 T N 2.497 116.995 114.554 -0.094 0.000 2.859 731 T HA 0.647 4.998 4.350 0.001 0.000 0.281 731 T C -0.621 174.006 174.700 -0.121 0.000 1.005 731 T CA -0.553 61.485 62.100 -0.103 0.000 1.025 731 T CB 1.794 70.643 68.868 -0.031 0.000 0.977 731 T HN 0.176 nan 8.240 nan 0.000 0.458 732 I N 3.540 124.008 120.570 -0.169 0.000 2.649 732 I HA 0.342 4.512 4.170 0.001 0.000 0.275 732 I C -0.839 175.253 176.117 -0.040 0.000 1.153 732 I CA -0.852 60.373 61.300 -0.125 0.000 1.069 732 I CB 0.151 38.034 38.000 -0.195 0.000 1.227 732 I HN 0.712 nan 8.210 nan 0.000 0.505 733 I N 6.379 126.935 120.570 -0.024 0.000 2.742 733 I HA 0.150 4.320 4.170 0.001 0.000 0.287 733 I C 0.682 176.811 176.117 0.020 0.000 1.186 733 I CA 0.511 61.805 61.300 -0.010 0.000 1.417 733 I CB 0.395 38.386 38.000 -0.015 0.000 1.377 733 I HN 0.646 nan 8.210 nan 0.000 0.556 734 A N 8.423 131.266 122.820 0.037 0.000 2.564 734 A HA 0.803 5.124 4.320 0.001 0.000 0.288 734 A C -2.761 174.826 177.584 0.004 0.000 1.164 734 A CA -1.686 50.372 52.037 0.035 0.000 0.712 734 A CB 1.261 20.309 19.000 0.079 0.000 1.303 734 A HN 0.371 nan 8.150 nan 0.000 0.418 735 P HA 0.093 nan 4.420 nan 0.000 0.264 735 P C 0.354 177.633 177.300 -0.035 0.000 1.183 735 P CA 0.218 63.298 63.100 -0.033 0.000 0.763 735 P CB 0.701 32.378 31.700 -0.037 0.000 0.807 736 K N 3.135 123.510 120.400 -0.042 0.000 2.032 736 K HA -0.174 4.146 4.320 0.001 0.000 0.209 736 K C 0.578 177.153 176.600 -0.042 0.000 1.048 736 K CA 1.906 58.170 56.287 -0.037 0.000 0.927 736 K CB -0.851 31.629 32.500 -0.033 0.000 0.712 736 K HN 0.332 nan 8.250 nan 0.000 0.441 737 D N -0.238 120.134 120.400 -0.047 0.000 2.348 737 D HA -0.028 4.612 4.640 0.001 0.000 0.248 737 D C 0.273 176.544 176.300 -0.048 0.000 1.142 737 D CA 0.529 54.502 54.000 -0.045 0.000 0.904 737 D CB -0.275 40.498 40.800 -0.045 0.000 0.901 737 D HN 0.375 nan 8.370 nan 0.000 0.523 738 N N -0.475 118.193 118.700 -0.053 0.000 2.197 738 N HA -0.007 4.734 4.740 0.001 0.000 0.201 738 N C 1.460 176.917 175.510 -0.089 0.000 1.148 738 N CA -0.155 52.858 53.050 -0.062 0.000 0.883 738 N CB 0.743 39.199 38.487 -0.051 0.000 1.012 738 N HN 0.078 nan 8.380 nan 0.000 0.507 739 E N 1.369 121.516 120.200 -0.088 0.000 2.097 739 E HA -0.277 4.073 4.350 0.001 0.000 0.196 739 E C 1.415 177.944 176.600 -0.118 0.000 1.000 739 E CA 1.229 57.561 56.400 -0.114 0.000 0.804 739 E CB 0.124 29.776 29.700 -0.081 0.000 0.740 739 E HN -0.006 nan 8.360 nan 0.000 0.454 740 K N 0.618 120.967 120.400 -0.086 0.000 2.585 740 K HA -0.111 4.210 4.320 0.001 0.000 0.194 740 K C 0.592 177.141 176.600 -0.085 0.000 1.037 740 K CA 1.012 57.254 56.287 -0.076 0.000 0.964 740 K CB -0.011 32.456 32.500 -0.055 0.000 0.787 740 K HN 0.149 nan 8.250 nan 0.000 0.488 741 D N -0.912 119.424 120.400 -0.107 0.000 2.392 741 D HA 0.143 4.784 4.640 0.001 0.000 0.206 741 D C 1.265 177.474 176.300 -0.151 0.000 1.046 741 D CA 0.306 54.243 54.000 -0.106 0.000 0.865 741 D CB 0.248 40.994 40.800 -0.089 0.000 0.969 741 D HN 0.205 nan 8.370 nan 0.000 0.509 742 I N 0.496 120.929 120.570 -0.228 0.000 2.676 742 I HA -0.154 4.016 4.170 0.001 0.000 0.259 742 I C 2.115 178.102 176.117 -0.216 0.000 1.194 742 I CA 0.545 61.636 61.300 -0.347 0.000 1.473 742 I CB 0.067 37.735 38.000 -0.553 0.000 1.096 742 I HN -0.083 nan 8.210 nan 0.000 0.443 743 E N 1.597 121.711 120.200 -0.144 0.000 2.065 743 E HA -0.323 4.028 4.350 0.001 0.000 0.201 743 E C 1.612 178.169 176.600 -0.071 0.000 1.016 743 E CA 1.921 58.266 56.400 -0.092 0.000 0.818 743 E CB -0.123 29.536 29.700 -0.069 0.000 0.749 743 E HN 0.298 nan 8.360 nan 0.000 0.453 744 D N -0.846 119.514 120.400 -0.066 0.000 2.363 744 D HA 0.025 4.665 4.640 0.001 0.000 0.226 744 D C -0.145 176.133 176.300 -0.035 0.000 1.020 744 D CA -0.005 53.969 54.000 -0.043 0.000 0.892 744 D CB -0.014 40.764 40.800 -0.037 0.000 0.900 744 D HN 0.200 nan 8.370 nan 0.000 0.531 745 I N 2.228 122.769 120.570 -0.048 0.000 2.581 745 I HA 0.054 4.224 4.170 0.001 0.000 0.285 745 I C -1.842 174.276 176.117 0.001 0.000 1.129 745 I CA -1.555 59.735 61.300 -0.017 0.000 1.397 745 I CB 0.557 38.548 38.000 -0.015 0.000 1.399 745 I HN -0.145 nan 8.210 nan 0.000 0.537 746 P HA -0.070 nan 4.420 nan 0.000 0.264 746 P C 0.324 177.630 177.300 0.010 0.000 1.179 746 P CA 0.102 63.210 63.100 0.013 0.000 0.763 746 P CB 0.504 32.219 31.700 0.024 0.000 0.806 747 E N 1.373 121.581 120.200 0.013 0.000 2.068 747 E HA -0.275 4.076 4.350 0.001 0.000 0.207 747 E C 1.765 178.363 176.600 -0.003 0.000 1.032 747 E CA 2.484 58.890 56.400 0.011 0.000 0.839 747 E CB -1.585 28.125 29.700 0.018 0.000 0.758 747 E HN 0.410 nan 8.360 nan 0.000 0.457 748 S N 0.393 116.089 115.700 -0.008 0.000 2.380 748 S HA -0.221 4.249 4.470 0.001 0.000 0.229 748 S C 2.160 176.669 174.600 -0.153 0.000 1.043 748 S CA 1.445 59.625 58.200 -0.033 0.000 1.038 748 S CB -0.741 62.462 63.200 0.005 0.000 0.872 748 S HN 0.250 nan 8.310 nan 0.000 0.456 749 V N 1.972 121.759 119.914 -0.212 0.000 2.500 749 V HA 0.099 4.220 4.120 0.001 0.000 0.243 749 V C 2.339 178.325 176.094 -0.181 0.000 1.039 749 V CA 1.327 63.362 62.300 -0.442 0.000 1.053 749 V CB -0.495 31.145 31.823 -0.306 0.000 0.695 749 V HN 0.438 nan 8.190 nan 0.000 0.463 750 R N 0.022 120.531 120.500 0.014 0.000 2.249 750 R HA -0.216 4.124 4.340 0.001 0.000 0.230 750 R C 2.130 178.491 176.300 0.101 0.000 1.121 750 R CA 2.077 58.292 56.100 0.192 0.000 0.997 750 R CB -0.226 30.166 30.300 0.153 0.000 0.867 750 R HN 0.772 nan 8.270 nan 0.000 0.465 751 E N -1.217 118.986 120.200 0.005 0.000 2.318 751 E HA -0.025 4.325 4.350 0.001 0.000 0.193 751 E C 1.120 177.718 176.600 -0.002 0.000 0.998 751 E CA 0.751 57.156 56.400 0.009 0.000 0.859 751 E CB 0.205 29.908 29.700 0.004 0.000 0.812 751 E HN 0.486 nan 8.360 nan 0.000 0.492 752 G N 0.492 109.265 108.800 -0.045 0.000 3.393 752 G HA2 0.244 4.205 3.960 0.001 0.000 0.255 752 G HA3 0.244 4.205 3.960 0.001 0.000 0.255 752 G C 0.047 174.934 174.900 -0.022 0.000 1.097 752 G CA -0.281 44.826 45.100 0.011 0.000 0.780 752 G HN 0.004 nan 8.290 nan 0.000 0.540 753 L N 1.318 122.477 121.223 -0.107 0.000 2.386 753 L HA 0.423 4.764 4.340 0.001 0.000 0.271 753 L C -0.311 176.409 176.870 -0.250 0.000 0.993 753 L CA -0.873 53.807 54.840 -0.266 0.000 0.819 753 L CB 2.510 44.222 42.059 -0.577 0.000 1.294 753 L HN 0.039 nan 8.230 nan 0.000 0.414 754 T N -1.092 113.327 114.554 -0.224 0.000 2.832 754 T HA 0.442 4.792 4.350 0.001 0.000 0.313 754 T C -0.377 174.225 174.700 -0.163 0.000 1.035 754 T CA -0.379 61.654 62.100 -0.112 0.000 0.950 754 T CB -0.282 68.564 68.868 -0.036 0.000 0.984 754 T HN 0.130 nan 8.240 nan 0.000 0.486 755 F N 4.029 123.963 119.950 -0.026 0.000 2.468 755 F HA 0.281 4.808 4.527 0.001 0.000 0.356 755 F C 0.623 176.378 175.800 -0.075 0.000 1.167 755 F CA -1.265 56.710 58.000 -0.042 0.000 1.135 755 F CB 0.144 39.123 39.000 -0.036 0.000 1.197 755 F HN 0.403 nan 8.300 nan 0.000 0.569 756 I N 5.637 126.210 120.570 0.004 0.000 2.363 756 I HA 0.117 4.287 4.170 0.001 0.000 0.292 756 I C 0.101 176.181 176.117 -0.063 0.000 1.075 756 I CA -0.406 60.813 61.300 -0.134 0.000 1.333 756 I CB 0.084 37.860 38.000 -0.374 0.000 1.415 756 I HN 0.377 nan 8.210 nan 0.000 0.502 757 L N 5.898 127.094 121.223 -0.045 0.000 2.325 757 L HA 0.796 5.136 4.340 0.001 0.000 0.279 757 L C 0.238 177.084 176.870 -0.040 0.000 1.054 757 L CA -0.542 54.284 54.840 -0.023 0.000 0.804 757 L CB 1.619 43.671 42.059 -0.012 0.000 1.200 757 L HN 0.686 nan 8.230 nan 0.000 0.436 758 A N 1.164 123.967 122.820 -0.029 0.000 2.556 758 A HA 0.680 5.000 4.320 0.001 0.000 0.294 758 A C -0.027 177.536 177.584 -0.035 0.000 1.091 758 A CA -0.269 51.758 52.037 -0.017 0.000 0.704 758 A CB 1.879 20.870 19.000 -0.016 0.000 1.300 758 A HN 0.708 nan 8.150 nan 0.000 0.406 759 S N -0.372 115.311 115.700 -0.027 0.000 2.619 759 S HA 0.306 4.776 4.470 0.001 0.000 0.238 759 S C 0.448 174.820 174.600 -0.381 0.000 1.068 759 S CA 0.082 58.181 58.200 -0.170 0.000 0.926 759 S CB -0.070 63.047 63.200 -0.138 0.000 0.864 759 S HN 0.780 nan 8.310 nan 0.000 0.493 760 H N 0.099 119.161 119.070 -0.014 0.000 2.797 760 H HA 0.442 4.998 4.556 0.001 0.000 0.372 760 H C 0.649 175.938 175.328 -0.065 0.000 1.168 760 H CA -0.821 55.211 56.048 -0.026 0.000 1.163 760 H CB 1.699 31.473 29.762 0.021 0.000 1.778 760 H HN -0.064 nan 8.280 nan 0.000 0.551 761 L N 0.530 121.724 121.223 -0.049 0.000 1.997 761 L HA -0.276 4.064 4.340 0.001 0.000 0.216 761 L C 1.980 178.838 176.870 -0.021 0.000 1.074 761 L CA 1.912 56.659 54.840 -0.154 0.000 0.763 761 L CB -0.481 41.267 42.059 -0.518 0.000 0.890 761 L HN 0.724 nan 8.230 nan 0.000 0.434 762 D N -0.413 120.019 120.400 0.055 0.000 2.149 762 D HA -0.287 4.354 4.640 0.001 0.000 0.194 762 D C 1.772 178.119 176.300 0.079 0.000 1.001 762 D CA 1.533 55.584 54.000 0.084 0.000 0.849 762 D CB -0.457 40.404 40.800 0.102 0.000 0.939 762 D HN 0.523 nan 8.370 nan 0.000 0.449 763 E N 0.460 120.715 120.200 0.092 0.000 2.051 763 E HA -0.131 4.220 4.350 0.001 0.000 0.192 763 E C 2.548 179.210 176.600 0.102 0.000 0.991 763 E CA 0.918 57.380 56.400 0.104 0.000 0.799 763 E CB 0.096 29.854 29.700 0.096 0.000 0.748 763 E HN 0.177 nan 8.360 nan 0.000 0.449 764 V N 1.698 121.645 119.914 0.054 0.000 2.233 764 V HA -0.293 3.827 4.120 0.001 0.000 0.247 764 V C 2.555 178.688 176.094 0.065 0.000 1.050 764 V CA 1.638 63.962 62.300 0.042 0.000 1.010 764 V CB -0.672 31.149 31.823 -0.003 0.000 0.637 764 V HN 0.276 nan 8.190 nan 0.000 0.444 765 L N -0.120 121.127 121.223 0.040 0.000 2.051 765 L HA -0.287 4.053 4.340 0.001 0.000 0.214 765 L C 2.679 179.578 176.870 0.048 0.000 1.076 765 L CA 2.244 57.107 54.840 0.037 0.000 0.758 765 L CB -0.585 41.494 42.059 0.034 0.000 0.890 765 L HN 0.482 nan 8.230 nan 0.000 0.433 766 E N -0.785 119.454 120.200 0.065 0.000 2.110 766 E HA -0.251 4.099 4.350 0.001 0.000 0.193 766 E C 1.906 178.505 176.600 -0.002 0.000 0.988 766 E CA 1.335 57.755 56.400 0.033 0.000 0.804 766 E CB 0.080 29.807 29.700 0.045 0.000 0.745 766 E HN 0.563 nan 8.360 nan 0.000 0.458 767 H N -1.664 117.409 119.070 0.005 0.000 2.525 767 H HA 0.236 4.792 4.556 0.001 0.000 0.275 767 H C 1.316 176.641 175.328 -0.005 0.000 0.984 767 H CA 1.015 57.063 56.048 0.001 0.000 1.264 767 H CB 0.615 30.379 29.762 0.004 0.000 1.432 767 H HN 0.206 nan 8.280 nan 0.000 0.549 768 A N -0.255 122.626 122.820 0.100 0.000 2.197 768 A HA 0.262 4.583 4.320 0.001 0.000 0.210 768 A C 0.479 178.076 177.584 0.021 0.000 1.180 768 A CA -0.051 52.017 52.037 0.052 0.000 0.846 768 A CB 0.384 19.408 19.000 0.040 0.000 0.884 768 A HN 0.153 nan 8.150 nan 0.000 0.487 769 L N -0.866 120.366 121.223 0.014 0.000 2.332 769 L HA 0.685 5.025 4.340 0.001 0.000 0.269 769 L C -0.054 176.809 176.870 -0.013 0.000 1.016 769 L CA -0.706 54.134 54.840 0.000 0.000 0.809 769 L CB 1.810 43.870 42.059 0.002 0.000 1.280 769 L HN 0.088 nan 8.230 nan 0.000 0.447 770 V N 0.000 119.906 119.914 -0.014 0.000 2.409 770 V HA 0.000 4.120 4.120 0.001 0.000 0.244 770 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 770 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556