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_A 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 0.000 174.708 174.700 0.013 0.000 1.109 246 T CA 0.000 62.107 62.100 0.011 0.000 1.349 246 T CB 0.000 68.875 68.868 0.011 0.000 0.612 247 G N 1.505 110.313 108.800 0.013 0.000 2.797 247 G HA2 -0.162 3.801 3.960 0.004 0.000 0.686 247 G HA3 -0.162 3.801 3.960 0.004 0.000 0.686 247 G C -0.160 174.750 174.900 0.017 0.000 1.452 247 G CA 0.138 45.247 45.100 0.015 0.000 0.986 247 G HN 0.651 nan 8.290 nan 0.000 0.595 248 E N 0.099 120.310 120.200 0.018 0.000 2.405 248 E HA 0.017 4.370 4.350 0.004 0.000 0.194 248 E C 2.273 178.887 176.600 0.024 0.000 1.149 248 E CA 0.596 57.009 56.400 0.021 0.000 0.933 248 E CB -0.144 29.569 29.700 0.021 0.000 1.028 248 E HN 0.867 nan 8.360 nan 0.000 0.487 249 V N -1.586 118.341 119.914 0.023 0.000 3.510 249 V HA -0.143 3.980 4.120 0.004 0.000 0.270 249 V C 1.579 177.687 176.094 0.024 0.000 1.201 249 V CA 1.272 63.587 62.300 0.024 0.000 1.166 249 V CB -0.611 31.226 31.823 0.022 0.000 0.825 249 V HN 0.305 nan 8.190 nan 0.000 0.484 250 Q N -1.272 118.542 119.800 0.023 0.000 2.471 250 Q HA 0.076 4.418 4.340 0.004 0.000 0.259 250 Q C 1.883 177.898 176.000 0.026 0.000 0.850 250 Q CA 0.701 56.517 55.803 0.023 0.000 0.981 250 Q CB -0.437 28.313 28.738 0.019 0.000 1.180 250 Q HN 0.329 nan 8.270 nan 0.000 0.571 251 T N 2.334 116.903 114.554 0.026 0.000 2.680 251 T HA -0.174 4.179 4.350 0.004 0.000 0.268 251 T C 1.696 176.416 174.700 0.034 0.000 1.033 251 T CA 1.927 64.044 62.100 0.028 0.000 1.152 251 T CB -0.206 68.678 68.868 0.027 0.000 0.859 251 T HN 0.206 nan 8.240 nan 0.000 0.452 252 L N 0.431 121.676 121.223 0.037 0.000 2.187 252 L HA 0.016 4.358 4.340 0.004 0.000 0.197 252 L C 3.141 180.037 176.870 0.043 0.000 1.090 252 L CA 1.351 56.218 54.840 0.045 0.000 0.781 252 L CB -1.527 40.561 42.059 0.049 0.000 0.956 252 L HN 0.322 nan 8.230 nan 0.000 0.463 253 T N -2.033 112.544 114.554 0.038 0.000 2.653 253 T HA -0.288 4.064 4.350 0.004 0.000 0.267 253 T C 1.704 176.421 174.700 0.029 0.000 1.037 253 T CA 1.699 63.819 62.100 0.033 0.000 1.159 253 T CB -0.518 68.367 68.868 0.028 0.000 0.859 253 T HN 0.219 nan 8.240 nan 0.000 0.449 254 E N 1.680 121.896 120.200 0.027 0.000 2.021 254 E HA -0.127 4.226 4.350 0.004 0.000 0.200 254 E C 2.233 178.850 176.600 0.027 0.000 1.015 254 E CA 1.501 57.915 56.400 0.024 0.000 0.824 254 E CB -0.374 29.340 29.700 0.024 0.000 0.762 254 E HN 0.647 nan 8.360 nan 0.000 0.454 255 K N 0.343 120.764 120.400 0.035 0.000 2.574 255 K HA -0.012 4.310 4.320 0.004 0.000 0.193 255 K C 2.069 178.697 176.600 0.046 0.000 1.035 255 K CA 0.235 56.547 56.287 0.042 0.000 0.982 255 K CB -0.043 32.487 32.500 0.049 0.000 0.795 255 K HN 0.177 nan 8.250 nan 0.000 0.491 256 I N 0.476 121.069 120.570 0.039 0.000 2.339 256 I HA -0.163 4.009 4.170 0.004 0.000 0.245 256 I C 2.364 178.483 176.117 0.004 0.000 1.096 256 I CA 0.810 62.130 61.300 0.034 0.000 1.408 256 I CB -0.107 37.914 38.000 0.034 0.000 1.092 256 I HN 0.161 nan 8.210 nan 0.000 0.423 257 E N 2.156 122.356 120.200 -0.000 0.000 2.516 257 E HA -0.146 4.206 4.350 0.004 0.000 0.199 257 E C 0.792 177.384 176.600 -0.012 0.000 1.069 257 E CA 0.016 56.406 56.400 -0.017 0.000 0.876 257 E CB 0.042 29.738 29.700 -0.007 0.000 0.843 257 E HN 0.441 nan 8.360 nan 0.000 0.530 258 E N -0.490 119.714 120.200 0.006 0.000 2.485 258 E HA -0.103 4.249 4.350 0.004 0.000 0.266 258 E C 0.944 177.549 176.600 0.008 0.000 1.090 258 E CA 0.413 56.823 56.400 0.016 0.000 0.987 258 E CB 0.714 30.435 29.700 0.036 0.000 0.974 258 E HN 0.109 nan 8.360 nan 0.000 0.455 259 A N 3.902 126.733 122.820 0.018 0.000 1.927 259 A HA -0.140 4.183 4.320 0.004 0.000 0.220 259 A C 1.298 178.900 177.584 0.029 0.000 1.185 259 A CA 1.756 53.805 52.037 0.019 0.000 0.639 259 A CB -1.224 17.794 19.000 0.030 0.000 0.820 259 A HN 0.683 nan 8.150 nan 0.000 0.451 260 G N -2.667 106.173 108.800 0.065 0.000 2.441 260 G HA2 0.398 4.360 3.960 0.004 0.000 0.243 260 G HA3 0.398 4.360 3.960 0.004 0.000 0.243 260 G C 0.115 175.050 174.900 0.058 0.000 1.281 260 G CA 0.250 45.431 45.100 0.135 0.000 0.854 260 G HN 0.738 nan 8.290 nan 0.000 0.560 261 M N 1.253 120.839 119.600 -0.022 0.000 2.995 261 M HA -0.137 4.345 4.480 0.004 0.000 0.191 261 M C -2.280 173.723 176.300 -0.494 0.000 1.069 261 M CA -0.018 54.974 55.300 -0.513 0.000 0.748 261 M CB -1.082 31.363 32.600 -0.259 0.000 1.622 261 M HN 0.467 nan 8.290 nan 0.000 0.747 262 P HA 0.039 nan 4.420 nan 0.000 0.213 262 P C 0.165 177.182 177.300 -0.472 0.000 1.176 262 P CA 0.726 63.628 63.100 -0.329 0.000 0.894 262 P CB 0.171 31.798 31.700 -0.122 0.000 0.771 263 D N -0.828 119.335 120.400 -0.395 0.000 2.648 263 D HA -0.093 4.550 4.640 0.004 0.000 0.229 263 D C 0.803 176.905 176.300 -0.330 0.000 1.119 263 D CA 0.870 54.717 54.000 -0.255 0.000 0.850 263 D CB 0.162 40.806 40.800 -0.260 0.000 1.169 263 D HN 0.235 nan 8.370 nan 0.000 0.489 264 H N 1.212 120.190 119.070 -0.153 0.000 2.547 264 H HA 0.088 4.646 4.556 0.004 0.000 0.272 264 H C 1.975 177.250 175.328 -0.088 0.000 0.971 264 H CA 0.089 56.068 56.048 -0.115 0.000 1.245 264 H CB 0.081 29.798 29.762 -0.075 0.000 1.440 264 H HN 0.211 nan 8.280 nan 0.000 0.540 265 V N 1.665 121.604 119.914 0.041 0.000 2.546 265 V HA -0.320 3.802 4.120 0.004 0.000 0.254 265 V C 2.103 178.202 176.094 0.007 0.000 1.076 265 V CA 2.404 64.717 62.300 0.023 0.000 1.087 265 V CB -0.468 31.368 31.823 0.022 0.000 0.674 265 V HN 0.611 nan 8.190 nan 0.000 0.470 266 K N 0.303 120.670 120.400 -0.055 0.000 2.214 266 K HA -0.001 4.322 4.320 0.004 0.000 0.201 266 K C 2.039 178.611 176.600 -0.048 0.000 1.049 266 K CA 0.928 57.189 56.287 -0.044 0.000 0.978 266 K CB -0.412 32.002 32.500 -0.143 0.000 0.842 266 K HN 0.299 nan 8.250 nan 0.000 0.474 267 E N 0.978 121.105 120.200 -0.122 0.000 2.219 267 E HA -0.183 4.169 4.350 0.004 0.000 0.198 267 E C 1.118 177.705 176.600 -0.022 0.000 0.998 267 E CA 1.790 58.129 56.400 -0.101 0.000 0.818 267 E CB -0.111 29.486 29.700 -0.172 0.000 0.741 267 E HN 0.449 nan 8.360 nan 0.000 0.477 268 T N 0.398 114.954 114.554 0.003 0.000 2.555 268 T HA -0.225 4.128 4.350 0.004 0.000 0.264 268 T C 1.886 176.606 174.700 0.033 0.000 1.083 268 T CA 1.708 63.823 62.100 0.024 0.000 1.179 268 T CB -0.537 68.350 68.868 0.031 0.000 0.863 268 T HN 0.355 nan 8.240 nan 0.000 0.412 269 A N 0.879 123.727 122.820 0.048 0.000 2.139 269 A HA -0.022 4.301 4.320 0.004 0.000 0.221 269 A C 2.200 179.827 177.584 0.072 0.000 1.159 269 A CA 1.120 53.197 52.037 0.066 0.000 0.662 269 A CB -0.915 18.148 19.000 0.104 0.000 0.796 269 A HN 0.473 nan 8.150 nan 0.000 0.463 270 L N -0.988 120.272 121.223 0.061 0.000 1.947 270 L HA -0.131 4.211 4.340 0.004 0.000 0.211 270 L C 2.531 179.432 176.870 0.052 0.000 1.098 270 L CA 1.787 56.666 54.840 0.065 0.000 0.767 270 L CB -0.659 41.417 42.059 0.028 0.000 0.891 270 L HN 0.369 nan 8.230 nan 0.000 0.436 271 K N 0.216 120.636 120.400 0.034 0.000 2.286 271 K HA -0.214 4.108 4.320 0.004 0.000 0.203 271 K C 1.771 178.399 176.600 0.046 0.000 1.045 271 K CA 1.304 57.612 56.287 0.035 0.000 0.935 271 K CB 0.073 32.586 32.500 0.022 0.000 0.737 271 K HN 0.316 nan 8.250 nan 0.000 0.460 272 E N 0.589 120.816 120.200 0.045 0.000 2.007 272 E HA -0.209 4.143 4.350 0.004 0.000 0.203 272 E C 1.803 178.462 176.600 0.097 0.000 1.020 272 E CA 1.560 57.993 56.400 0.054 0.000 0.845 272 E CB -0.181 29.546 29.700 0.045 0.000 0.779 272 E HN 0.287 nan 8.360 nan 0.000 0.466 273 L N 1.617 122.885 121.223 0.075 0.000 2.642 273 L HA -0.131 4.211 4.340 0.004 0.000 0.236 273 L C 2.109 179.030 176.870 0.086 0.000 1.169 273 L CA 0.021 54.905 54.840 0.073 0.000 0.851 273 L CB -0.466 41.493 42.059 -0.168 0.000 0.968 273 L HN 0.223 nan 8.230 nan 0.000 0.453 274 N N 1.305 120.059 118.700 0.089 0.000 2.240 274 N HA -0.107 4.635 4.740 0.004 0.000 0.187 274 N C 1.494 177.065 175.510 0.102 0.000 1.042 274 N CA 0.993 54.092 53.050 0.081 0.000 0.861 274 N CB 0.047 38.570 38.487 0.060 0.000 1.026 274 N HN 0.079 nan 8.380 nan 0.000 0.441 275 R N 0.066 120.614 120.500 0.080 0.000 2.500 275 R HA -0.095 4.247 4.340 0.004 0.000 0.212 275 R C 0.525 176.865 176.300 0.068 0.000 1.330 275 R CA -0.046 56.088 56.100 0.057 0.000 1.262 275 R CB -0.477 29.839 30.300 0.026 0.000 0.998 275 R HN 0.372 nan 8.270 nan 0.000 0.484 276 Y N 0.792 121.083 120.300 -0.015 0.000 3.287 276 Y HA -0.110 4.442 4.550 0.004 0.000 0.222 276 Y C 0.694 176.584 175.900 -0.016 0.000 0.849 276 Y CA 1.107 59.194 58.100 -0.022 0.000 0.934 276 Y CB 0.424 38.863 38.460 -0.034 0.000 1.133 276 Y HN -0.024 nan 8.280 nan 0.000 0.522 277 E N 0.784 121.225 120.200 0.401 0.000 3.351 277 E HA 0.087 4.439 4.350 0.004 0.000 0.220 277 E C 0.487 177.176 176.600 0.148 0.000 1.150 277 E CA -0.200 56.322 56.400 0.204 0.000 1.359 277 E CB 0.827 30.686 29.700 0.264 0.000 1.365 277 E HN 0.208 nan 8.360 nan 0.000 0.434 278 K N 0.806 121.267 120.400 0.101 0.000 2.360 278 K HA -0.062 4.261 4.320 0.004 0.000 0.201 278 K C 0.292 176.920 176.600 0.046 0.000 1.046 278 K CA 0.779 57.104 56.287 0.063 0.000 0.940 278 K CB -0.040 32.488 32.500 0.047 0.000 0.748 278 K HN 0.335 nan 8.250 nan 0.000 0.465 279 I N 2.533 123.129 120.570 0.043 0.000 2.312 279 I HA 0.207 4.379 4.170 0.004 0.000 0.291 279 I C -1.955 174.185 176.117 0.040 0.000 1.031 279 I CA -2.132 59.185 61.300 0.028 0.000 1.293 279 I CB 1.092 39.099 38.000 0.011 0.000 1.403 279 I HN 0.036 nan 8.210 nan 0.000 0.484 280 P HA 0.383 nan 4.420 nan 0.000 0.340 280 P C -0.052 177.263 177.300 0.024 0.000 1.299 280 P CA -0.422 62.692 63.100 0.024 0.000 0.813 280 P CB 0.403 32.114 31.700 0.018 0.000 1.911 281 S N -0.570 115.141 115.700 0.018 0.000 2.695 281 S HA 0.010 4.482 4.470 0.004 0.000 0.250 281 S C 0.976 175.585 174.600 0.015 0.000 1.355 281 S CA 0.000 58.209 58.200 0.015 0.000 0.965 281 S CB -0.766 62.441 63.200 0.011 0.000 0.987 281 S HN 0.478 nan 8.310 nan 0.000 0.576 282 S N 1.351 117.057 115.700 0.010 0.000 4.053 282 S HA 0.147 4.619 4.470 0.004 0.000 0.184 282 S C 0.439 175.042 174.600 0.004 0.000 1.324 282 S CA -0.473 57.731 58.200 0.006 0.000 0.956 282 S CB -1.074 62.128 63.200 0.003 0.000 1.503 282 S HN 0.587 nan 8.310 nan 0.000 0.440 283 S N 2.195 117.900 115.700 0.008 0.000 2.592 283 S HA 0.329 4.802 4.470 0.004 0.000 0.256 283 S C 1.719 176.319 174.600 -0.000 0.000 1.369 283 S CA 0.091 58.295 58.200 0.007 0.000 0.984 283 S CB 0.306 63.514 63.200 0.013 0.000 0.919 283 S HN 0.827 nan 8.310 nan 0.000 0.576 284 A N 1.759 124.578 122.820 -0.002 0.000 2.024 284 A HA -0.099 4.223 4.320 0.004 0.000 0.220 284 A C 2.019 179.595 177.584 -0.014 0.000 1.164 284 A CA 1.693 53.725 52.037 -0.008 0.000 0.643 284 A CB -0.622 18.374 19.000 -0.007 0.000 0.806 284 A HN 0.865 nan 8.150 nan 0.000 0.451 285 E N -0.582 119.615 120.200 -0.006 0.000 2.051 285 E HA -0.082 4.270 4.350 0.004 0.000 0.189 285 E C 2.036 178.620 176.600 -0.027 0.000 0.979 285 E CA 1.122 57.516 56.400 -0.010 0.000 0.803 285 E CB -0.860 28.852 29.700 0.020 0.000 0.761 285 E HN 0.500 nan 8.360 nan 0.000 0.451 286 S N 0.612 116.307 115.700 -0.008 0.000 2.584 286 S HA -0.043 4.430 4.470 0.004 0.000 0.240 286 S C 1.618 176.201 174.600 -0.028 0.000 0.975 286 S CA 0.683 58.876 58.200 -0.011 0.000 0.949 286 S CB -0.086 63.121 63.200 0.010 0.000 0.761 286 S HN 0.072 nan 8.310 nan 0.000 0.536 287 S N -0.211 115.469 115.700 -0.034 0.000 2.492 287 S HA 0.138 4.610 4.470 0.004 0.000 0.218 287 S C 1.532 176.096 174.600 -0.060 0.000 1.016 287 S CA 0.249 58.426 58.200 -0.039 0.000 0.916 287 S CB 0.165 63.347 63.200 -0.031 0.000 0.791 287 S HN 0.369 nan 8.310 nan 0.000 0.513 288 V N 3.039 122.908 119.914 -0.075 0.000 2.270 288 V HA -0.110 4.012 4.120 0.004 0.000 0.218 288 V C 2.156 178.187 176.094 -0.105 0.000 0.997 288 V CA 1.133 63.377 62.300 -0.094 0.000 1.019 288 V CB -0.648 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 0.453 120.925 120.570 -0.164 0.000 2.479 289 I HA -0.276 3.896 4.170 0.004 0.000 0.258 289 I C 2.594 178.659 176.117 -0.087 0.000 1.165 289 I CA 1.670 62.862 61.300 -0.180 0.000 1.422 289 I CB -1.510 36.236 38.000 -0.423 0.000 1.087 289 I HN 0.499 nan 8.210 nan 0.000 0.441 290 R N 1.243 121.691 120.500 -0.086 0.000 2.159 290 R HA -0.275 4.067 4.340 0.004 0.000 0.252 290 R C 2.134 178.424 176.300 -0.016 0.000 1.144 290 R CA 2.388 58.464 56.100 -0.041 0.000 0.961 290 R CB -0.253 30.025 30.300 -0.036 0.000 0.877 290 R HN 0.345 nan 8.270 nan 0.000 0.444 291 N N -0.446 118.229 118.700 -0.042 0.000 2.336 291 N HA -0.140 4.602 4.740 0.004 0.000 0.177 291 N C 1.481 176.949 175.510 -0.071 0.000 1.018 291 N CA 0.889 53.896 53.050 -0.072 0.000 0.878 291 N CB -0.306 38.084 38.487 -0.162 0.000 0.997 291 N HN 0.333 nan 8.380 nan 0.000 0.433 292 Y N 1.383 121.560 120.300 -0.204 0.000 2.271 292 Y HA -0.237 4.315 4.550 0.004 0.000 0.284 292 Y C 2.268 178.155 175.900 -0.021 0.000 1.189 292 Y CA 1.367 59.371 58.100 -0.160 0.000 1.229 292 Y CB -0.100 38.283 38.460 -0.128 0.000 0.973 292 Y HN 0.131 nan 8.280 nan 0.000 0.537 293 I N -0.597 120.109 120.570 0.227 0.000 2.406 293 I HA -0.248 3.924 4.170 0.004 0.000 0.249 293 I C 1.531 177.758 176.117 0.183 0.000 1.122 293 I CA 1.844 63.272 61.300 0.212 0.000 1.431 293 I CB -0.198 37.884 38.000 0.137 0.000 1.087 293 I HN 0.181 nan 8.210 nan 0.000 0.424 294 D N 0.334 120.824 120.400 0.150 0.000 2.084 294 D HA -0.213 4.429 4.640 0.004 0.000 0.196 294 D C 1.706 178.169 176.300 0.271 0.000 0.985 294 D CA 1.347 55.455 54.000 0.180 0.000 0.826 294 D CB -0.295 40.598 40.800 0.155 0.000 0.978 294 D HN 0.369 nan 8.370 nan 0.000 0.456 295 W N 0.898 122.205 121.300 0.012 0.000 2.313 295 W HA -0.098 4.564 4.660 0.004 0.000 0.293 295 W C 2.045 178.573 176.519 0.015 0.000 1.216 295 W CA 0.517 57.850 57.345 -0.018 0.000 1.223 295 W CB -0.955 28.459 29.460 -0.078 0.000 1.138 295 W HN 0.083 nan 8.180 nan 0.000 0.535 296 L N -0.624 120.773 121.223 0.290 0.000 2.492 296 L HA -0.100 4.242 4.340 0.004 0.000 0.223 296 L C 1.788 178.847 176.870 0.315 0.000 1.132 296 L CA 0.333 55.347 54.840 0.291 0.000 0.850 296 L CB -0.127 42.106 42.059 0.291 0.000 0.966 296 L HN -0.249 nan 8.230 nan 0.000 0.454 297 V N -1.071 118.989 119.914 0.244 0.000 2.788 297 V HA -0.038 4.084 4.120 0.004 0.000 0.251 297 V C 2.380 178.593 176.094 0.198 0.000 1.068 297 V CA 1.311 63.747 62.300 0.227 0.000 1.090 297 V CB -0.230 31.691 31.823 0.163 0.000 0.710 297 V HN 0.454 nan 8.190 nan 0.000 0.467 298 A N -0.160 122.731 122.820 0.119 0.000 1.911 298 A HA 0.208 4.530 4.320 0.004 0.000 0.212 298 A C 1.206 178.746 177.584 -0.073 0.000 1.189 298 A CA 0.100 52.154 52.037 0.028 0.000 0.639 298 A CB -0.396 18.595 19.000 -0.015 0.000 0.839 298 A HN 0.445 nan 8.150 nan 0.000 0.449 299 L N 1.817 122.968 121.223 -0.120 0.000 2.878 299 L HA -0.029 4.314 4.340 0.004 0.000 0.285 299 L C -2.225 174.199 176.870 -0.742 0.000 1.090 299 L CA -0.932 53.702 54.840 -0.343 0.000 1.030 299 L CB -0.775 41.120 42.059 -0.273 0.000 1.431 299 L HN 0.155 nan 8.230 nan 0.000 0.456 300 P HA -0.102 nan 4.420 nan 0.000 0.269 300 P C -0.505 176.363 177.300 -0.720 0.000 1.205 300 P CA 0.689 63.546 63.100 -0.404 0.000 0.780 300 P CB 0.438 32.040 31.700 -0.162 0.000 0.858 301 W N -1.137 120.190 121.300 0.046 0.000 5.120 301 W HA 0.028 4.690 4.660 0.004 0.000 0.169 301 W C 2.163 178.675 176.519 -0.011 0.000 3.038 301 W CA 0.383 57.721 57.345 -0.012 0.000 1.923 301 W CB -1.088 28.358 29.460 -0.023 0.000 1.318 301 W HN 0.112 nan 8.180 nan 0.000 0.926 302 T N 0.764 115.488 114.554 0.284 0.000 2.542 302 T HA -0.115 4.237 4.350 0.004 0.000 0.257 302 T C 0.492 175.249 174.700 0.096 0.000 1.111 302 T CA 1.260 63.449 62.100 0.149 0.000 1.203 302 T CB -0.950 67.991 68.868 0.121 0.000 0.866 302 T HN -0.091 nan 8.240 nan 0.000 0.399 303 D N 1.665 122.114 120.400 0.082 0.000 2.303 303 D HA 0.047 4.689 4.640 0.004 0.000 0.233 303 D C 0.505 176.828 176.300 0.040 0.000 1.313 303 D CA 0.967 54.998 54.000 0.051 0.000 0.883 303 D CB 0.218 41.043 40.800 0.042 0.000 1.220 303 D HN 0.586 nan 8.370 nan 0.000 0.490 304 E N 0.208 120.425 120.200 0.029 0.000 3.649 304 E HA -0.078 4.275 4.350 0.004 0.000 0.297 304 E C -1.314 175.301 176.600 0.025 0.000 1.177 304 E CA -0.256 56.160 56.400 0.026 0.000 0.584 304 E CB -0.778 28.940 29.700 0.030 0.000 1.027 304 E HN 0.282 nan 8.360 nan 0.000 0.567 305 T N 4.157 118.726 114.554 0.024 0.000 2.720 305 T HA -0.117 4.236 4.350 0.004 0.000 0.255 305 T C -0.149 174.566 174.700 0.024 0.000 1.021 305 T CA 1.068 63.183 62.100 0.025 0.000 1.145 305 T CB 0.063 68.948 68.868 0.028 0.000 1.036 305 T HN 0.286 nan 8.240 nan 0.000 0.479 306 D N 3.609 124.022 120.400 0.022 0.000 2.264 306 D HA 0.195 4.837 4.640 0.004 0.000 0.250 306 D C -0.158 176.154 176.300 0.021 0.000 1.113 306 D CA -0.383 53.629 54.000 0.020 0.000 0.871 306 D CB 1.000 41.811 40.800 0.018 0.000 1.167 306 D HN 0.453 nan 8.370 nan 0.000 0.447 307 D N 1.565 121.977 120.400 0.020 0.000 2.193 307 D HA 0.250 4.892 4.640 0.004 0.000 0.249 307 D C 0.094 176.405 176.300 0.019 0.000 1.034 307 D CA -0.283 53.730 54.000 0.022 0.000 0.902 307 D CB 1.670 42.484 40.800 0.025 0.000 1.182 307 D HN -0.029 nan 8.370 nan 0.000 0.436 308 K N 1.813 122.225 120.400 0.021 0.000 2.323 308 K HA 0.451 4.773 4.320 0.004 0.000 0.259 308 K C -0.492 176.119 176.600 0.020 0.000 0.947 308 K CA -0.566 55.731 56.287 0.018 0.000 0.819 308 K CB 1.691 34.201 32.500 0.017 0.000 1.109 308 K HN 0.333 nan 8.250 nan 0.000 0.429 309 L N 2.465 123.698 121.223 0.015 0.000 2.594 309 L HA 0.234 4.576 4.340 0.004 0.000 0.245 309 L C -0.148 176.730 176.870 0.013 0.000 1.460 309 L CA -0.537 54.312 54.840 0.015 0.000 0.865 309 L CB 0.775 42.839 42.059 0.009 0.000 1.131 309 L HN 0.383 nan 8.230 nan 0.000 0.506 310 D N 1.686 122.095 120.400 0.015 0.000 2.499 310 D HA 0.243 4.885 4.640 0.004 0.000 0.225 310 D C 1.215 177.524 176.300 0.015 0.000 1.124 310 D CA -0.300 53.708 54.000 0.013 0.000 0.938 310 D CB 0.996 41.803 40.800 0.012 0.000 1.014 310 D HN 0.288 nan 8.370 nan 0.000 0.517 311 L N 2.565 123.796 121.223 0.015 0.000 2.021 311 L HA -0.261 4.082 4.340 0.004 0.000 0.215 311 L C 2.349 179.228 176.870 0.016 0.000 1.074 311 L CA 1.170 56.020 54.840 0.017 0.000 0.760 311 L CB -0.502 41.565 42.059 0.015 0.000 0.889 311 L HN 0.301 nan 8.230 nan 0.000 0.433 312 K N 0.156 120.564 120.400 0.012 0.000 2.144 312 K HA -0.259 4.063 4.320 0.004 0.000 0.209 312 K C 1.637 178.245 176.600 0.012 0.000 1.047 312 K CA 1.787 58.080 56.287 0.010 0.000 0.927 312 K CB -0.036 32.469 32.500 0.008 0.000 0.716 312 K HN 0.325 nan 8.250 nan 0.000 0.454 313 E N -1.453 118.755 120.200 0.014 0.000 3.033 313 E HA 0.124 4.476 4.350 0.004 0.000 0.420 313 E C 1.372 177.984 176.600 0.022 0.000 0.478 313 E CA 1.043 57.453 56.400 0.016 0.000 2.555 313 E CB -0.369 29.340 29.700 0.015 0.000 1.927 313 E HN 0.164 nan 8.360 nan 0.000 0.499 314 A N -0.317 122.519 122.820 0.026 0.000 1.724 314 A HA -0.425 3.897 4.320 0.004 0.000 0.348 314 A C 2.332 179.938 177.584 0.036 0.000 4.921 314 A CA 3.638 55.695 52.037 0.034 0.000 1.023 314 A CB -2.547 16.475 19.000 0.036 0.000 0.540 314 A HN 0.741 nan 8.150 nan 0.000 0.472 315 G N -2.216 106.603 108.800 0.031 0.000 2.550 315 G HA2 -0.221 3.742 3.960 0.004 0.000 0.222 315 G HA3 -0.221 3.742 3.960 0.004 0.000 0.222 315 G C 1.263 176.180 174.900 0.029 0.000 1.113 315 G CA 1.790 46.907 45.100 0.028 0.000 0.748 315 G HN 0.604 nan 8.290 nan 0.000 0.585 316 R N -0.776 119.740 120.500 0.027 0.000 2.586 316 R HA 0.475 4.817 4.340 0.004 0.000 0.336 316 R C 1.588 177.906 176.300 0.030 0.000 1.060 316 R CA -0.168 55.947 56.100 0.026 0.000 1.079 316 R CB -0.183 30.127 30.300 0.016 0.000 1.317 316 R HN 0.437 nan 8.270 nan 0.000 0.568 317 L N -0.916 120.330 121.223 0.039 0.000 2.425 317 L HA 0.210 4.552 4.340 0.004 0.000 0.215 317 L C 1.100 178.017 176.870 0.079 0.000 1.065 317 L CA 0.482 55.348 54.840 0.044 0.000 0.842 317 L CB 0.187 42.267 42.059 0.036 0.000 1.033 317 L HN 0.166 nan 8.230 nan 0.000 0.474 318 L N 0.097 121.376 121.223 0.093 0.000 2.127 318 L HA -0.210 4.132 4.340 0.004 0.000 0.211 318 L C 1.238 178.209 176.870 0.169 0.000 1.089 318 L CA 1.283 56.215 54.840 0.153 0.000 0.757 318 L CB -0.692 41.415 42.059 0.081 0.000 0.899 318 L HN 0.313 nan 8.230 nan 0.000 0.434 319 D N -0.782 119.676 120.400 0.097 0.000 2.349 319 D HA -0.098 4.544 4.640 0.004 0.000 0.224 319 D C 1.860 178.220 176.300 0.100 0.000 1.029 319 D CA 0.392 54.441 54.000 0.082 0.000 0.879 319 D CB 0.270 41.090 40.800 0.033 0.000 0.906 319 D HN 0.350 nan 8.370 nan 0.000 0.528 320 E N 0.290 120.546 120.200 0.093 0.000 2.307 320 E HA 0.012 4.364 4.350 0.004 0.000 0.195 320 E C 0.614 177.258 176.600 0.073 0.000 0.975 320 E CA 0.420 56.852 56.400 0.054 0.000 0.878 320 E CB 0.397 30.102 29.700 0.008 0.000 0.845 320 E HN 0.157 nan 8.360 nan 0.000 0.488 321 E N -0.679 119.589 120.200 0.112 0.000 2.758 321 E HA 0.163 4.516 4.350 0.004 0.000 0.215 321 E C -1.132 175.292 176.600 -0.294 0.000 0.985 321 E CA -0.077 56.327 56.400 0.006 0.000 1.102 321 E CB 0.845 30.463 29.700 -0.137 0.000 1.042 321 E HN 0.162 nan 8.360 nan 0.000 0.480 322 H N -1.462 117.690 119.070 0.138 0.000 3.086 322 H HA 0.145 4.703 4.556 0.003 0.000 0.353 322 H C 0.093 175.393 175.328 -0.047 0.000 1.134 322 H CA -0.642 55.389 56.048 -0.030 0.000 1.248 322 H CB 1.231 31.005 29.762 0.021 0.000 1.878 322 H HN -0.019 nan 8.280 nan 0.000 0.527 323 H N 2.117 121.100 119.070 -0.145 0.000 2.320 323 H HA 0.036 4.594 4.556 0.003 0.000 0.312 323 H C 1.452 176.800 175.328 0.034 0.000 1.051 323 H CA 1.616 57.608 56.048 -0.092 0.000 1.339 323 H CB -0.086 29.562 29.762 -0.191 0.000 1.437 323 H HN 0.729 nan 8.280 nan 0.000 0.538 324 G N 0.605 109.494 108.800 0.149 0.000 2.830 324 G HA2 0.069 4.031 3.960 0.004 0.000 0.172 324 G HA3 0.069 4.031 3.960 0.004 0.000 0.172 324 G C 0.634 175.578 174.900 0.073 0.000 1.782 324 G CA 0.504 45.658 45.100 0.090 0.000 0.900 324 G HN 0.630 nan 8.290 nan 0.000 0.389 325 L N 0.045 121.334 121.223 0.110 0.000 3.976 325 L HA -0.251 4.091 4.340 0.004 0.000 0.418 325 L C 1.912 178.779 176.870 -0.005 0.000 1.177 325 L CA 0.658 55.516 54.840 0.030 0.000 0.968 325 L CB -1.555 40.512 42.059 0.013 0.000 1.933 325 L HN 0.532 nan 8.230 nan 0.000 0.976 326 E N 0.840 121.038 120.200 -0.004 0.000 2.048 326 E HA -0.262 4.091 4.350 0.004 0.000 0.202 326 E C 1.898 178.489 176.600 -0.015 0.000 1.021 326 E CA 2.069 58.460 56.400 -0.016 0.000 0.825 326 E CB -0.135 29.556 29.700 -0.016 0.000 0.756 326 E HN 0.504 nan 8.360 nan 0.000 0.454 327 K N 0.397 120.788 120.400 -0.015 0.000 2.147 327 K HA -0.109 4.214 4.320 0.004 0.000 0.205 327 K C 1.909 178.496 176.600 -0.022 0.000 1.049 327 K CA 0.986 57.264 56.287 -0.016 0.000 0.936 327 K CB 0.048 32.538 32.500 -0.017 0.000 0.722 327 K HN 0.001 nan 8.250 nan 0.000 0.446 328 V N 1.043 120.938 119.914 -0.032 0.000 2.667 328 V HA -0.181 3.941 4.120 0.004 0.000 0.252 328 V C 1.835 177.903 176.094 -0.044 0.000 1.065 328 V CA 1.540 63.814 62.300 -0.044 0.000 1.083 328 V CB -0.268 31.516 31.823 -0.065 0.000 0.692 328 V HN 0.283 nan 8.190 nan 0.000 0.468 329 K N 0.237 120.615 120.400 -0.037 0.000 2.021 329 K HA -0.149 4.173 4.320 0.004 0.000 0.205 329 K C 2.156 178.754 176.600 -0.004 0.000 1.047 329 K CA 1.228 57.500 56.287 -0.026 0.000 0.943 329 K CB -0.219 32.270 32.500 -0.019 0.000 0.725 329 K HN 0.270 nan 8.250 nan 0.000 0.439 330 E N 1.057 121.255 120.200 -0.003 0.000 2.301 330 E HA -0.215 4.137 4.350 0.004 0.000 0.202 330 E C 1.473 178.083 176.600 0.015 0.000 1.017 330 E CA 1.371 57.775 56.400 0.005 0.000 0.831 330 E CB 0.107 29.807 29.700 0.001 0.000 0.742 330 E HN 0.059 nan 8.360 nan 0.000 0.491 331 R N -0.610 119.897 120.500 0.011 0.000 2.334 331 R HA 0.150 4.492 4.340 0.004 0.000 0.212 331 R C 1.271 177.598 176.300 0.045 0.000 0.897 331 R CA 0.059 56.174 56.100 0.025 0.000 1.056 331 R CB 0.400 30.703 30.300 0.005 0.000 1.046 331 R HN 0.281 nan 8.270 nan 0.000 0.513 332 I N 0.408 120.999 120.570 0.035 0.000 2.703 332 I HA -0.112 4.061 4.170 0.004 0.000 0.259 332 I C 2.046 178.233 176.117 0.117 0.000 1.151 332 I CA 0.863 62.200 61.300 0.061 0.000 1.470 332 I CB -0.449 37.563 38.000 0.021 0.000 1.112 332 I HN 0.083 nan 8.210 nan 0.000 0.437 333 L N 0.392 121.661 121.223 0.076 0.000 2.095 333 L HA -0.073 4.270 4.340 0.004 0.000 0.204 333 L C 2.415 179.327 176.870 0.071 0.000 1.080 333 L CA 0.933 55.813 54.840 0.067 0.000 0.759 333 L CB -0.578 41.505 42.059 0.040 0.000 0.914 333 L HN 0.178 nan 8.230 nan 0.000 0.439 334 E N -0.065 120.178 120.200 0.071 0.000 2.097 334 E HA -0.301 4.051 4.350 0.004 0.000 0.196 334 E C 1.715 178.372 176.600 0.096 0.000 1.000 334 E CA 1.688 58.129 56.400 0.067 0.000 0.804 334 E CB -0.191 29.547 29.700 0.065 0.000 0.740 334 E HN 0.434 nan 8.360 nan 0.000 0.454 335 Y N 0.307 120.612 120.300 0.008 0.000 2.553 335 Y HA 0.007 4.559 4.550 0.004 0.000 0.303 335 Y C 1.180 177.090 175.900 0.017 0.000 1.194 335 Y CA 0.402 58.510 58.100 0.013 0.000 1.305 335 Y CB 0.176 38.647 38.460 0.017 0.000 1.045 335 Y HN -0.041 nan 8.280 nan 0.000 0.514 336 L N -2.265 118.973 121.223 0.026 0.000 2.638 336 L HA 0.246 4.588 4.340 0.004 0.000 0.195 336 L C 2.472 179.319 176.870 -0.039 0.000 1.065 336 L CA 0.685 55.513 54.840 -0.021 0.000 0.859 336 L CB -0.939 41.147 42.059 0.045 0.000 1.269 336 L HN -0.004 nan 8.230 nan 0.000 0.484 337 A N 0.123 122.938 122.820 -0.010 0.000 1.997 337 A HA -0.196 4.126 4.320 0.004 0.000 0.221 337 A C 2.253 179.816 177.584 -0.034 0.000 1.172 337 A CA 2.198 54.226 52.037 -0.014 0.000 0.645 337 A CB -0.854 18.146 19.000 -0.001 0.000 0.813 337 A HN 0.198 nan 8.150 nan 0.000 0.454 338 V N -0.440 119.443 119.914 -0.052 0.000 2.453 338 V HA -0.265 3.857 4.120 0.004 0.000 0.247 338 V C 2.691 178.712 176.094 -0.121 0.000 1.048 338 V CA 2.308 64.562 62.300 -0.078 0.000 1.049 338 V CB -0.522 31.251 31.823 -0.085 0.000 0.672 338 V HN 0.848 nan 8.190 nan 0.000 0.457 339 Q N 0.565 120.263 119.800 -0.171 0.000 2.020 339 Q HA -0.280 4.062 4.340 0.004 0.000 0.202 339 Q C 2.291 178.234 176.000 -0.095 0.000 0.982 339 Q CA 2.397 58.091 55.803 -0.181 0.000 0.838 339 Q CB -0.328 28.288 28.738 -0.203 0.000 0.899 339 Q HN 0.548 nan 8.270 nan 0.000 0.423 340 K N -0.138 120.224 120.400 -0.063 0.000 2.077 340 K HA -0.227 4.096 4.320 0.004 0.000 0.213 340 K C 2.020 178.599 176.600 -0.035 0.000 1.051 340 K CA 2.005 58.270 56.287 -0.037 0.000 0.929 340 K CB -0.279 32.207 32.500 -0.023 0.000 0.715 340 K HN 0.301 nan 8.250 nan 0.000 0.451 341 L N -0.028 121.172 121.223 -0.038 0.000 1.948 341 L HA -0.116 4.226 4.340 0.004 0.000 0.212 341 L C 1.234 178.084 176.870 -0.034 0.000 1.074 341 L CA 1.225 56.046 54.840 -0.031 0.000 0.753 341 L CB -0.809 41.232 42.059 -0.029 0.000 0.888 341 L HN 0.082 nan 8.230 nan 0.000 0.432 342 T N 2.015 116.542 114.554 -0.046 0.000 3.333 342 T HA -0.017 4.335 4.350 0.004 0.000 0.240 342 T C 1.226 175.900 174.700 -0.044 0.000 0.961 342 T CA -0.029 62.044 62.100 -0.045 0.000 1.215 342 T CB -0.048 68.785 68.868 -0.058 0.000 1.031 342 T HN 0.155 nan 8.240 nan 0.000 0.709 343 K N 1.244 121.626 120.400 -0.030 0.000 2.293 343 K HA -0.050 4.272 4.320 0.004 0.000 0.204 343 K C 0.742 177.329 176.600 -0.021 0.000 1.045 343 K CA 0.725 56.998 56.287 -0.023 0.000 0.933 343 K CB 0.067 32.559 32.500 -0.014 0.000 0.736 343 K HN 0.334 nan 8.250 nan 0.000 0.463 344 S N 0.998 116.684 115.700 -0.022 0.000 2.438 344 S HA 0.256 4.729 4.470 0.004 0.000 0.316 344 S C -0.144 174.440 174.600 -0.026 0.000 1.084 344 S CA -0.658 57.531 58.200 -0.017 0.000 1.107 344 S CB 1.359 64.553 63.200 -0.010 0.000 0.981 344 S HN 0.201 nan 8.310 nan 0.000 0.466 345 L N 4.978 126.189 121.223 -0.021 0.000 2.615 345 L HA 0.038 4.380 4.340 0.004 0.000 0.284 345 L C 0.411 177.270 176.870 -0.018 0.000 1.237 345 L CA 0.325 55.149 54.840 -0.027 0.000 0.905 345 L CB 0.253 42.322 42.059 0.016 0.000 1.149 345 L HN 0.605 nan 8.230 nan 0.000 0.499 346 K N 3.133 123.517 120.400 -0.027 0.000 2.166 346 K HA 0.487 4.809 4.320 0.004 0.000 0.245 346 K C 0.989 177.598 176.600 0.015 0.000 0.967 346 K CA -0.297 55.983 56.287 -0.011 0.000 0.863 346 K CB 1.271 33.759 32.500 -0.020 0.000 1.107 346 K HN 0.547 nan 8.250 nan 0.000 0.436 347 G N 1.390 110.190 108.800 0.001 0.000 2.732 347 G HA2 -0.216 3.746 3.960 0.004 0.000 0.222 347 G HA3 -0.216 3.746 3.960 0.004 0.000 0.222 347 G C -1.416 173.500 174.900 0.026 0.000 1.203 347 G CA 0.580 45.676 45.100 -0.006 0.000 0.780 347 G HN 0.577 nan 8.290 nan 0.000 0.621 348 P HA 0.218 nan 4.420 nan 0.000 0.256 348 P C -0.402 176.997 177.300 0.165 0.000 1.189 348 P CA 0.258 63.412 63.100 0.089 0.000 0.808 348 P CB 0.024 31.787 31.700 0.104 0.000 0.793 349 I N 1.897 122.529 120.570 0.104 0.000 2.530 349 I HA 0.518 4.691 4.170 0.004 0.000 0.297 349 I C -0.460 175.666 176.117 0.014 0.000 1.011 349 I CA -1.520 59.847 61.300 0.111 0.000 1.107 349 I CB 1.090 39.166 38.000 0.127 0.000 1.285 349 I HN -0.101 nan 8.210 nan 0.000 0.436 350 L N 3.924 125.085 121.223 -0.102 0.000 2.379 350 L HA 0.694 5.037 4.340 0.004 0.000 0.269 350 L C 0.051 176.885 176.870 -0.061 0.000 1.084 350 L CA -0.923 53.840 54.840 -0.128 0.000 0.802 350 L CB 0.621 42.507 42.059 -0.288 0.000 1.175 350 L HN 0.913 nan 8.230 nan 0.000 0.448 351 C N 3.215 122.490 119.300 -0.041 0.000 2.355 351 C HA 0.737 5.200 4.460 0.004 0.000 0.332 351 C C 0.006 174.977 174.990 -0.031 0.000 1.255 351 C CA -0.716 58.292 59.018 -0.018 0.000 1.792 351 C CB 0.053 27.793 27.740 0.000 0.000 2.300 351 C HN 0.785 nan 8.230 nan 0.000 0.515 352 L N 5.564 126.774 121.223 -0.022 0.000 2.292 352 L HA 0.675 5.017 4.340 0.004 0.000 0.284 352 L C 0.476 177.339 176.870 -0.011 0.000 1.065 352 L CA 0.029 54.854 54.840 -0.025 0.000 0.806 352 L CB 1.183 43.229 42.059 -0.021 0.000 1.175 352 L HN 0.886 nan 8.230 nan 0.000 0.431 353 A N 2.453 125.265 122.820 -0.014 0.000 2.414 353 A HA 0.976 5.298 4.320 0.004 0.000 0.306 353 A C -0.254 177.323 177.584 -0.011 0.000 1.054 353 A CA -0.011 52.024 52.037 -0.003 0.000 0.724 353 A CB 1.894 20.898 19.000 0.008 0.000 1.267 353 A HN 0.827 nan 8.150 nan 0.000 0.418 354 G N 0.780 109.574 108.800 -0.010 0.000 2.336 354 G HA2 0.478 4.440 3.960 0.004 0.000 0.300 354 G HA3 0.478 4.440 3.960 0.004 0.000 0.300 354 G C -3.585 171.295 174.900 -0.034 0.000 1.375 354 G CA -0.692 44.390 45.100 -0.031 0.000 0.885 354 G HN 0.589 nan 8.290 nan 0.000 0.599 355 P HA 0.199 nan 4.420 nan 0.000 0.266 355 P C -2.181 175.107 177.300 -0.019 0.000 1.193 355 P CA -0.518 62.554 63.100 -0.048 0.000 0.770 355 P CB 0.087 31.745 31.700 -0.070 0.000 0.836 356 P HA 0.051 nan 4.420 nan 0.000 0.272 356 P C 0.488 177.805 177.300 0.027 0.000 1.223 356 P CA 0.517 63.625 63.100 0.013 0.000 0.784 356 P CB 0.326 32.035 31.700 0.014 0.000 0.923 357 G N 1.031 109.858 108.800 0.045 0.000 2.171 357 G HA2 -0.182 3.781 3.960 0.004 0.000 0.238 357 G HA3 -0.182 3.781 3.960 0.004 0.000 0.238 357 G C 0.313 175.287 174.900 0.124 0.000 1.039 357 G CA 0.072 45.213 45.100 0.068 0.000 0.759 357 G HN 0.569 nan 8.290 nan 0.000 0.501 358 V N -4.182 115.803 119.914 0.119 0.000 3.604 358 V HA 0.712 4.835 4.120 0.004 0.000 0.277 358 V C 1.713 177.929 176.094 0.203 0.000 1.399 358 V CA 1.176 63.589 62.300 0.188 0.000 1.034 358 V CB 0.439 32.252 31.823 -0.015 0.000 0.824 358 V HN 2.083 nan 8.190 nan 0.000 0.439 359 G N 0.667 109.550 108.800 0.138 0.000 2.227 359 G HA2 -0.195 3.767 3.960 0.004 0.000 0.168 359 G HA3 -0.195 3.767 3.960 0.004 0.000 0.168 359 G C 0.651 175.614 174.900 0.104 0.000 1.006 359 G CA 0.221 45.418 45.100 0.162 0.000 0.684 359 G HN 0.408 nan 8.290 nan 0.000 0.489 360 K N 0.306 120.740 120.400 0.057 0.000 2.015 360 K HA -0.151 4.171 4.320 0.004 0.000 0.216 360 K C 2.596 179.231 176.600 0.058 0.000 1.052 360 K CA 2.360 58.667 56.287 0.033 0.000 0.937 360 K CB -0.533 31.982 32.500 0.025 0.000 0.719 360 K HN 0.344 nan 8.250 nan 0.000 0.446 361 T N 0.495 115.092 114.554 0.071 0.000 2.635 361 T HA -0.226 4.126 4.350 0.004 0.000 0.267 361 T C 2.091 176.824 174.700 0.055 0.000 1.040 361 T CA 1.840 63.993 62.100 0.088 0.000 1.156 361 T CB -0.482 68.432 68.868 0.077 0.000 0.863 361 T HN 0.308 nan 8.240 nan 0.000 0.430 362 S N 0.747 116.491 115.700 0.073 0.000 2.370 362 S HA -0.043 4.430 4.470 0.004 0.000 0.226 362 S C 2.080 176.803 174.600 0.204 0.000 1.033 362 S CA 0.883 59.143 58.200 0.100 0.000 1.011 362 S CB -0.607 62.688 63.200 0.160 0.000 0.852 362 S HN 0.432 nan 8.310 nan 0.000 0.457 363 L N 0.903 122.240 121.223 0.190 0.000 2.043 363 L HA -0.173 4.170 4.340 0.004 0.000 0.212 363 L C 2.956 179.841 176.870 0.024 0.000 1.075 363 L CA 1.437 56.253 54.840 -0.040 0.000 0.752 363 L CB -0.884 41.062 42.059 -0.189 0.000 0.891 363 L HN 0.488 nan 8.230 nan 0.000 0.432 364 A N 0.064 122.914 122.820 0.051 0.000 1.835 364 A HA -0.265 4.057 4.320 0.004 0.000 0.215 364 A C 2.271 179.880 177.584 0.041 0.000 1.199 364 A CA 1.955 54.069 52.037 0.129 0.000 0.615 364 A CB -0.544 18.632 19.000 0.294 0.000 0.838 364 A HN 0.280 nan 8.150 nan 0.000 0.444 365 K N -0.582 119.624 120.400 -0.323 0.000 2.107 365 K HA -0.192 4.130 4.320 0.004 0.000 0.211 365 K C 2.420 178.880 176.600 -0.232 0.000 1.049 365 K CA 1.715 57.548 56.287 -0.756 0.000 0.927 365 K CB -0.232 31.785 32.500 -0.804 0.000 0.714 365 K HN 0.461 nan 8.250 nan 0.000 0.452 366 S N 0.202 115.862 115.700 -0.065 0.000 2.414 366 S HA -0.043 4.429 4.470 0.004 0.000 0.227 366 S C 1.826 176.458 174.600 0.053 0.000 1.022 366 S CA 0.483 58.703 58.200 0.035 0.000 0.958 366 S CB -0.056 63.261 63.200 0.195 0.000 0.797 366 S HN 0.135 nan 8.310 nan 0.000 0.493 367 I N 1.974 122.580 120.570 0.061 0.000 2.208 367 I HA -0.158 4.014 4.170 0.004 0.000 0.245 367 I C 2.489 178.662 176.117 0.094 0.000 1.097 367 I CA 1.473 62.822 61.300 0.082 0.000 1.363 367 I CB -0.528 37.531 38.000 0.098 0.000 1.051 367 I HN 0.353 nan 8.210 nan 0.000 0.413 368 A N -0.637 122.247 122.820 0.107 0.000 1.898 368 A HA -0.197 4.125 4.320 0.004 0.000 0.214 368 A C 2.345 179.974 177.584 0.075 0.000 1.183 368 A CA 1.443 53.556 52.037 0.127 0.000 0.622 368 A CB -0.517 18.623 19.000 0.235 0.000 0.824 368 A HN 0.315 nan 8.150 nan 0.000 0.444 369 K N -0.065 120.355 120.400 0.034 0.000 2.059 369 K HA -0.211 4.111 4.320 0.004 0.000 0.212 369 K C 2.375 178.994 176.600 0.031 0.000 1.050 369 K CA 1.815 58.112 56.287 0.017 0.000 0.927 369 K CB -0.236 32.260 32.500 -0.008 0.000 0.714 369 K HN 0.452 nan 8.250 nan 0.000 0.447 370 S N 0.049 115.773 115.700 0.041 0.000 2.368 370 S HA -0.117 4.355 4.470 0.004 0.000 0.225 370 S C 1.625 176.252 174.600 0.045 0.000 1.030 370 S CA 1.162 59.388 58.200 0.043 0.000 0.999 370 S CB -0.114 63.117 63.200 0.051 0.000 0.844 370 S HN 0.264 nan 8.310 nan 0.000 0.459 371 L N 1.496 122.753 121.223 0.058 0.000 2.599 371 L HA 0.336 4.678 4.340 0.004 0.000 0.230 371 L C 1.814 178.714 176.870 0.049 0.000 1.141 371 L CA 0.889 55.763 54.840 0.057 0.000 0.877 371 L CB -1.019 41.084 42.059 0.074 0.000 1.009 371 L HN 0.500 nan 8.230 nan 0.000 0.447 372 G N 0.242 109.070 108.800 0.046 0.000 2.233 372 G HA2 -0.360 3.603 3.960 0.004 0.000 0.270 372 G HA3 -0.360 3.603 3.960 0.004 0.000 0.270 372 G C 0.591 175.518 174.900 0.045 0.000 1.011 372 G CA 0.367 45.491 45.100 0.039 0.000 0.762 372 G HN 0.394 nan 8.290 nan 0.000 0.511 373 R N -0.332 120.204 120.500 0.060 0.000 2.500 373 R HA 0.523 4.865 4.340 0.004 0.000 0.277 373 R C 0.469 176.814 176.300 0.076 0.000 1.026 373 R CA -0.871 55.267 56.100 0.063 0.000 1.058 373 R CB 0.747 31.091 30.300 0.073 0.000 1.078 373 R HN -0.029 nan 8.270 nan 0.000 0.509 374 K N 1.416 121.852 120.400 0.060 0.000 2.219 374 K HA 0.137 4.460 4.320 0.004 0.000 0.258 374 K C -0.537 176.124 176.600 0.101 0.000 1.008 374 K CA 0.067 56.393 56.287 0.065 0.000 0.928 374 K CB 0.368 32.880 32.500 0.021 0.000 0.983 374 K HN 0.406 nan 8.250 nan 0.000 0.484 375 F N 0.769 120.681 119.950 -0.063 0.000 2.520 375 F HA 0.427 4.956 4.527 0.004 0.000 0.322 375 F C -1.026 174.678 175.800 -0.159 0.000 1.103 375 F CA -0.810 57.138 58.000 -0.088 0.000 0.926 375 F CB 1.361 40.324 39.000 -0.062 0.000 1.154 375 F HN 0.076 nan 8.300 nan 0.000 0.453 376 V N 6.233 125.524 119.914 -1.039 0.000 2.623 376 V HA 0.428 4.550 4.120 0.004 0.000 0.304 376 V C -0.460 175.001 176.094 -1.055 0.000 1.054 376 V CA -0.976 60.797 62.300 -0.878 0.000 0.882 376 V CB 1.623 32.905 31.823 -0.901 0.000 1.002 376 V HN 0.822 nan 8.190 nan 0.000 0.424 377 R N 5.025 125.177 120.500 -0.580 0.000 2.438 377 R HA 0.591 4.933 4.340 0.004 0.000 0.287 377 R C -0.775 175.312 176.300 -0.355 0.000 1.077 377 R CA -0.267 55.627 56.100 -0.343 0.000 1.034 377 R CB 0.879 31.140 30.300 -0.066 0.000 0.993 377 R HN 0.822 nan 8.270 nan 0.000 0.459 378 I N 3.064 123.460 120.570 -0.290 0.000 2.542 378 I HA 0.151 4.323 4.170 0.004 0.000 0.278 378 I C -1.116 174.942 176.117 -0.100 0.000 1.069 378 I CA -0.360 60.808 61.300 -0.219 0.000 1.100 378 I CB 1.691 39.537 38.000 -0.258 0.000 1.204 378 I HN 0.579 nan 8.210 nan 0.000 0.470 379 S N 6.830 122.488 115.700 -0.070 0.000 2.528 379 S HA 0.447 4.919 4.470 0.004 0.000 0.277 379 S C 0.331 174.925 174.600 -0.009 0.000 1.297 379 S CA -0.362 57.820 58.200 -0.030 0.000 1.052 379 S CB 0.661 63.847 63.200 -0.023 0.000 0.917 379 S HN 0.725 nan 8.310 nan 0.000 0.492 380 L N 5.076 126.303 121.223 0.007 0.000 3.154 380 L HA 0.326 4.668 4.340 0.004 0.000 0.266 380 L C 1.835 178.717 176.870 0.021 0.000 1.300 380 L CA -0.314 54.538 54.840 0.021 0.000 1.028 380 L CB -0.218 41.861 42.059 0.034 0.000 1.412 380 L HN 0.897 nan 8.230 nan 0.000 0.564 381 G N -0.074 108.735 108.800 0.015 0.000 2.534 381 G HA2 -0.005 3.957 3.960 0.004 0.000 0.217 381 G HA3 -0.005 3.957 3.960 0.004 0.000 0.217 381 G C 0.837 175.748 174.900 0.019 0.000 1.128 381 G CA 0.479 45.589 45.100 0.016 0.000 0.784 381 G HN 0.476 nan 8.290 nan 0.000 0.542 404 I N 1.891 122.501 120.570 0.067 0.000 2.546 404 I HA -0.108 4.065 4.170 0.004 0.000 0.255 404 I C 2.189 178.267 176.117 -0.064 0.000 1.163 404 I CA 0.846 62.187 61.300 0.067 0.000 1.457 404 I CB -0.940 37.010 38.000 -0.084 0.000 1.092 404 I HN 0.229 nan 8.210 nan 0.000 0.434 405 I N 1.066 121.588 120.570 -0.080 0.000 2.419 405 I HA -0.497 3.675 4.170 0.004 0.000 0.229 405 I C 2.636 178.584 176.117 -0.281 0.000 0.948 405 I CA 2.011 63.212 61.300 -0.166 0.000 1.247 405 I CB -1.072 36.859 38.000 -0.115 0.000 0.956 405 I HN 0.312 nan 8.210 nan 0.000 0.388 406 Q N 0.670 120.302 119.800 -0.280 0.000 1.956 406 Q HA -0.171 4.171 4.340 0.004 0.000 0.208 406 Q C 2.291 178.145 176.000 -0.244 0.000 0.998 406 Q CA 1.838 57.447 55.803 -0.323 0.000 0.855 406 Q CB -0.805 27.776 28.738 -0.262 0.000 0.928 406 Q HN 0.717 nan 8.270 nan 0.000 0.418 407 G N 1.438 110.134 108.800 -0.173 0.000 3.645 407 G HA2 -0.451 3.511 3.960 0.004 0.000 0.296 407 G HA3 -0.451 3.511 3.960 0.004 0.000 0.296 407 G C 1.203 176.037 174.900 -0.110 0.000 1.048 407 G CA 2.083 47.087 45.100 -0.160 0.000 0.970 407 G HN 0.257 nan 8.290 nan 0.000 1.298 408 M N 0.708 120.307 119.600 -0.002 0.000 2.089 408 M HA -0.054 4.429 4.480 0.004 0.000 0.257 408 M C 2.393 178.598 176.300 -0.158 0.000 1.071 408 M CA 2.191 57.432 55.300 -0.097 0.000 1.096 408 M CB -0.508 31.943 32.600 -0.248 0.000 1.330 408 M HN 0.408 nan 8.290 nan 0.000 0.403 409 K N 0.621 120.894 120.400 -0.212 0.000 2.034 409 K HA -0.221 4.102 4.320 0.004 0.000 0.214 409 K C 1.467 177.969 176.600 -0.164 0.000 1.051 409 K CA 1.759 57.924 56.287 -0.204 0.000 0.931 409 K CB -0.372 31.960 32.500 -0.280 0.000 0.715 409 K HN 0.369 nan 8.250 nan 0.000 0.446 410 K N -0.395 119.894 120.400 -0.185 0.000 2.616 410 K HA -0.052 4.270 4.320 0.004 0.000 0.192 410 K C 0.856 177.372 176.600 -0.141 0.000 1.031 410 K CA 0.588 56.776 56.287 -0.165 0.000 1.004 410 K CB 0.089 32.468 32.500 -0.202 0.000 0.810 410 K HN 0.255 nan 8.250 nan 0.000 0.497 411 A N -0.425 122.321 122.820 -0.123 0.000 2.631 411 A HA 0.234 4.556 4.320 0.004 0.000 0.258 411 A C 1.014 178.560 177.584 -0.064 0.000 1.027 411 A CA 0.024 52.009 52.037 -0.087 0.000 1.015 411 A CB 0.131 19.076 19.000 -0.092 0.000 1.206 411 A HN 0.215 nan 8.150 nan 0.000 0.556 412 G N 1.305 110.059 108.800 -0.076 0.000 2.344 412 G HA2 -0.261 3.701 3.960 0.004 0.000 0.311 412 G HA3 -0.261 3.701 3.960 0.004 0.000 0.311 412 G C 0.142 175.014 174.900 -0.046 0.000 0.765 412 G CA 1.388 46.448 45.100 -0.067 0.000 0.836 412 G HN 0.509 nan 8.290 nan 0.000 0.488 413 K N -0.460 119.915 120.400 -0.042 0.000 2.651 413 K HA 0.175 4.497 4.320 0.004 0.000 0.259 413 K C 0.648 177.241 176.600 -0.011 0.000 1.017 413 K CA -0.819 55.457 56.287 -0.018 0.000 0.897 413 K CB 1.172 33.670 32.500 -0.004 0.000 1.262 413 K HN 0.124 nan 8.250 nan 0.000 0.460 414 L N -0.513 120.706 121.223 -0.007 0.000 2.622 414 L HA 0.109 4.451 4.340 0.004 0.000 0.233 414 L C 0.449 177.333 176.870 0.024 0.000 1.156 414 L CA 1.014 55.862 54.840 0.014 0.000 0.866 414 L CB -0.690 41.388 42.059 0.031 0.000 0.980 414 L HN 0.394 nan 8.230 nan 0.000 0.448 415 N N 1.289 120.002 118.700 0.023 0.000 2.955 415 N HA 0.392 5.135 4.740 0.004 0.000 0.242 415 N C -2.753 172.779 175.510 0.036 0.000 1.123 415 N CA -2.078 50.991 53.050 0.031 0.000 0.949 415 N CB 0.812 39.318 38.487 0.032 0.000 1.214 415 N HN 0.168 nan 8.380 nan 0.000 0.504 416 P HA 0.443 nan 4.420 nan 0.000 0.341 416 P C -1.203 176.125 177.300 0.047 0.000 1.255 416 P CA -0.730 62.399 63.100 0.048 0.000 0.790 416 P CB 1.502 33.260 31.700 0.098 0.000 1.437 417 V N -0.074 119.847 119.914 0.011 0.000 2.498 417 V HA 0.296 4.418 4.120 0.004 0.000 0.283 417 V C -0.734 175.215 176.094 -0.241 0.000 1.015 417 V CA -0.239 62.040 62.300 -0.036 0.000 0.867 417 V CB 0.359 32.230 31.823 0.080 0.000 1.025 417 V HN 0.273 nan 8.190 nan 0.000 0.441 418 F N 4.319 123.924 119.950 -0.575 0.000 2.429 418 F HA 0.535 5.064 4.527 0.004 0.000 0.348 418 F C 0.105 175.583 175.800 -0.537 0.000 1.109 418 F CA -0.748 56.845 58.000 -0.679 0.000 1.232 418 F CB 1.460 39.874 39.000 -0.977 0.000 1.157 418 F HN 0.357 nan 8.300 nan 0.000 0.564 419 L N 5.709 126.683 121.223 -0.416 0.000 2.356 419 L HA 0.394 4.737 4.340 0.004 0.000 0.264 419 L C -1.115 175.684 176.870 -0.117 0.000 1.029 419 L CA -0.542 54.176 54.840 -0.202 0.000 0.897 419 L CB 0.215 42.169 42.059 -0.176 0.000 1.256 419 L HN 0.248 nan 8.230 nan 0.000 0.444 420 L N 4.580 125.792 121.223 -0.017 0.000 2.652 420 L HA 0.001 4.344 4.340 0.004 0.000 0.284 420 L C 1.482 178.364 176.870 0.020 0.000 1.204 420 L CA 0.642 55.501 54.840 0.032 0.000 1.105 420 L CB -1.285 40.841 42.059 0.111 0.000 1.393 420 L HN 0.703 nan 8.230 nan 0.000 0.452 421 D N 2.957 123.355 120.400 -0.004 0.000 2.119 421 D HA -0.149 4.493 4.640 0.004 0.000 0.199 421 D C 0.222 176.535 176.300 0.023 0.000 0.987 421 D CA 1.372 55.379 54.000 0.012 0.000 0.858 421 D CB 0.518 41.322 40.800 0.006 0.000 1.008 421 D HN 0.579 nan 8.370 nan 0.000 0.450 422 E N 0.367 120.579 120.200 0.020 0.000 2.070 422 E HA 0.279 4.632 4.350 0.004 0.000 0.261 422 E C -0.485 176.132 176.600 0.028 0.000 0.926 422 E CA -0.235 56.179 56.400 0.023 0.000 0.760 422 E CB 1.197 30.909 29.700 0.020 0.000 1.133 422 E HN 0.341 nan 8.360 nan 0.000 0.420 423 I N 1.249 121.839 120.570 0.033 0.000 2.317 423 I HA 0.326 4.498 4.170 0.004 0.000 0.286 423 I C -0.431 175.704 176.117 0.030 0.000 1.119 423 I CA -0.319 61.003 61.300 0.036 0.000 1.228 423 I CB -0.124 37.902 38.000 0.043 0.000 1.476 423 I HN 0.386 nan 8.210 nan 0.000 0.514 424 D N 2.630 123.046 120.400 0.027 0.000 3.060 424 D HA -0.119 4.524 4.640 0.004 0.000 0.590 424 D C 0.250 176.563 176.300 0.022 0.000 0.629 424 D CA -0.248 53.766 54.000 0.024 0.000 1.082 424 D CB -0.428 40.386 40.800 0.023 0.000 1.508 424 D HN 0.443 nan 8.370 nan 0.000 0.290 425 K N 0.808 121.221 120.400 0.022 0.000 3.141 425 K HA 0.413 4.735 4.320 0.004 0.000 0.248 425 K C -0.041 176.572 176.600 0.022 0.000 1.282 425 K CA -0.038 56.261 56.287 0.021 0.000 1.251 425 K CB 0.337 32.849 32.500 0.019 0.000 1.533 425 K HN 0.133 nan 8.250 nan 0.000 0.409 426 M N 1.090 120.704 119.600 0.023 0.000 2.043 426 M HA 0.101 4.583 4.480 0.004 0.000 0.322 426 M C -0.197 176.117 176.300 0.022 0.000 0.962 426 M CA -0.123 55.191 55.300 0.024 0.000 0.927 426 M CB 1.655 34.272 32.600 0.028 0.000 1.466 426 M HN 0.314 nan 8.290 nan 0.000 0.412 438 M N 0.091 119.706 119.600 0.023 0.000 2.514 438 M HA 0.258 4.740 4.480 0.004 0.000 0.258 438 M C 1.336 177.646 176.300 0.017 0.000 1.119 438 M CA 0.521 55.839 55.300 0.031 0.000 1.111 438 M CB -0.291 32.346 32.600 0.062 0.000 1.390 438 M HN 0.129 nan 8.290 nan 0.000 0.475 439 L N 1.581 122.809 121.223 0.007 0.000 2.324 439 L HA -0.403 3.939 4.340 0.004 0.000 0.237 439 L C 2.375 179.234 176.870 -0.018 0.000 1.137 439 L CA 3.011 57.846 54.840 -0.009 0.000 0.855 439 L CB -2.391 39.660 42.059 -0.014 0.000 0.961 439 L HN 0.683 nan 8.230 nan 0.000 0.446 440 E N -0.629 119.551 120.200 -0.033 0.000 2.301 440 E HA -0.322 4.030 4.350 0.004 0.000 0.224 440 E C 2.089 178.684 176.600 -0.008 0.000 1.092 440 E CA 2.605 58.968 56.400 -0.061 0.000 0.913 440 E CB -0.231 29.385 29.700 -0.140 0.000 0.776 440 E HN 0.357 nan 8.360 nan 0.000 0.465 441 V N -0.241 119.718 119.914 0.076 0.000 2.970 441 V HA -0.128 3.994 4.120 0.004 0.000 0.260 441 V C 1.680 177.723 176.094 -0.085 0.000 1.100 441 V CA 1.679 64.122 62.300 0.239 0.000 1.122 441 V CB -0.029 31.977 31.823 0.305 0.000 0.721 441 V HN 0.322 nan 8.190 nan 0.000 0.483 442 L N -1.266 119.874 121.223 -0.138 0.000 2.717 442 L HA 0.372 4.714 4.340 0.004 0.000 0.239 442 L C 0.929 177.709 176.870 -0.150 0.000 1.086 442 L CA 0.067 54.750 54.840 -0.261 0.000 0.897 442 L CB -0.155 41.768 42.059 -0.226 0.000 1.214 442 L HN 0.067 nan 8.230 nan 0.000 0.508 443 D N 2.590 122.940 120.400 -0.082 0.000 2.554 443 D HA -0.047 4.595 4.640 0.004 0.000 0.251 443 D C -1.553 174.717 176.300 -0.051 0.000 1.213 443 D CA -0.896 53.071 54.000 -0.054 0.000 0.900 443 D CB 1.394 42.171 40.800 -0.037 0.000 1.135 443 D HN -0.047 nan 8.370 nan 0.000 0.522 444 P HA -0.194 nan 4.420 nan 0.000 0.218 444 P C 0.937 178.222 177.300 -0.025 0.000 1.154 444 P CA 1.392 64.469 63.100 -0.039 0.000 0.872 444 P CB 0.256 31.940 31.700 -0.027 0.000 0.790 445 E N -0.996 119.192 120.200 -0.020 0.000 2.072 445 E HA -0.210 4.143 4.350 0.004 0.000 0.191 445 E C 2.184 178.778 176.600 -0.009 0.000 0.985 445 E CA 0.938 57.330 56.400 -0.013 0.000 0.801 445 E CB -0.217 29.476 29.700 -0.013 0.000 0.750 445 E HN 0.366 nan 8.360 nan 0.000 0.452 446 Q N 0.636 120.428 119.800 -0.013 0.000 2.324 446 Q HA -0.103 4.239 4.340 0.004 0.000 0.207 446 Q C 1.796 177.809 176.000 0.022 0.000 0.928 446 Q CA 0.787 56.586 55.803 -0.006 0.000 0.890 446 Q CB 0.157 28.880 28.738 -0.025 0.000 1.001 446 Q HN 0.168 nan 8.270 nan 0.000 0.517 447 N N 0.895 119.604 118.700 0.016 0.000 2.182 447 N HA -0.280 4.462 4.740 0.004 0.000 0.192 447 N C 1.571 177.138 175.510 0.095 0.000 1.007 447 N CA 2.132 55.214 53.050 0.053 0.000 0.873 447 N CB -1.041 37.406 38.487 -0.065 0.000 0.998 447 N HN 0.331 nan 8.380 nan 0.000 0.436 448 S N -0.562 115.171 115.700 0.055 0.000 2.378 448 S HA -0.155 4.317 4.470 0.004 0.000 0.221 448 S C 1.213 175.880 174.600 0.112 0.000 1.037 448 S CA 1.087 59.325 58.200 0.063 0.000 1.069 448 S CB -1.034 62.186 63.200 0.034 0.000 1.006 448 S HN 0.413 nan 8.310 nan 0.000 0.423 449 S N 1.026 116.783 115.700 0.096 0.000 2.422 449 S HA 0.490 4.963 4.470 0.004 0.000 0.283 449 S C -0.989 173.706 174.600 0.157 0.000 1.163 449 S CA -0.835 57.434 58.200 0.114 0.000 1.054 449 S CB -0.701 62.532 63.200 0.055 0.000 0.967 449 S HN 0.365 nan 8.310 nan 0.000 0.499 450 F N 4.844 124.843 119.950 0.081 0.000 2.482 450 F HA 0.609 5.138 4.527 0.004 0.000 0.331 450 F C 0.274 176.109 175.800 0.057 0.000 1.115 450 F CA -0.384 57.651 58.000 0.059 0.000 0.955 450 F CB 1.703 40.750 39.000 0.077 0.000 1.136 450 F HN 0.626 nan 8.300 nan 0.000 0.452 451 S N 3.058 118.468 115.700 -0.483 0.000 2.739 451 S HA 0.762 5.234 4.470 0.004 0.000 0.306 451 S C -1.456 172.914 174.600 -0.384 0.000 1.115 451 S CA -0.608 57.412 58.200 -0.299 0.000 0.985 451 S CB 2.072 65.076 63.200 -0.326 0.000 1.133 451 S HN 0.714 nan 8.310 nan 0.000 0.541 452 D N -0.678 119.577 120.400 -0.242 0.000 2.633 452 D HA 0.188 4.831 4.640 0.004 0.000 0.198 452 D C -0.769 175.383 176.300 -0.247 0.000 1.273 452 D CA -0.384 53.466 54.000 -0.250 0.000 0.830 452 D CB 0.614 41.428 40.800 0.025 0.000 1.771 452 D HN 0.647 nan 8.370 nan 0.000 0.547 453 H N 2.907 121.838 119.070 -0.231 0.000 2.935 453 H HA 0.009 4.567 4.556 0.004 0.000 0.376 453 H C 0.382 175.542 175.328 -0.280 0.000 1.307 453 H CA 1.110 56.911 56.048 -0.411 0.000 1.442 453 H CB 0.166 29.386 29.762 -0.904 0.000 1.427 453 H HN 0.726 nan 8.280 nan 0.000 0.615 454 Y N -1.311 119.125 120.300 0.227 0.000 4.079 454 Y HA -0.209 4.343 4.550 0.004 0.000 0.223 454 Y C 1.153 177.120 175.900 0.112 0.000 1.155 454 Y CA 0.234 58.432 58.100 0.164 0.000 1.805 454 Y CB -1.035 37.517 38.460 0.153 0.000 1.571 454 Y HN 0.452 nan 8.280 nan 0.000 0.654 455 I N -0.859 119.845 120.570 0.224 0.000 3.578 455 I HA -0.075 4.098 4.170 0.004 0.000 0.394 455 I C 0.366 176.591 176.117 0.180 0.000 0.857 455 I CA 0.156 61.541 61.300 0.140 0.000 1.092 455 I CB -0.363 37.712 38.000 0.124 0.000 3.302 455 I HN 0.200 nan 8.210 nan 0.000 0.927 456 E N 3.033 123.322 120.200 0.148 0.000 3.580 456 E HA -0.142 4.211 4.350 0.004 0.000 0.260 456 E C 0.189 176.873 176.600 0.141 0.000 0.828 456 E CA 1.285 57.743 56.400 0.096 0.000 0.984 456 E CB -0.110 29.643 29.700 0.087 0.000 0.826 456 E HN 0.324 nan 8.360 nan 0.000 0.555 457 E N 2.094 122.379 120.200 0.142 0.000 2.748 457 E HA 0.033 4.385 4.350 0.004 0.000 0.320 457 E C -0.805 175.928 176.600 0.222 0.000 0.996 457 E CA -0.273 56.235 56.400 0.180 0.000 0.835 457 E CB 1.293 31.134 29.700 0.234 0.000 1.265 457 E HN 0.291 nan 8.360 nan 0.000 0.420 458 T N 2.634 117.294 114.554 0.177 0.000 2.854 458 T HA 0.206 4.558 4.350 0.004 0.000 0.336 458 T C -0.686 174.219 174.700 0.342 0.000 1.095 458 T CA 0.633 62.854 62.100 0.202 0.000 1.118 458 T CB 0.075 69.019 68.868 0.127 0.000 1.025 458 T HN 0.357 nan 8.240 nan 0.000 0.549 459 F N 2.022 122.086 119.950 0.191 0.000 2.628 459 F HA 0.370 4.899 4.527 0.004 0.000 0.309 459 F C -1.118 174.765 175.800 0.138 0.000 1.108 459 F CA -1.133 56.977 58.000 0.183 0.000 0.971 459 F CB 1.879 40.974 39.000 0.157 0.000 1.279 459 F HN 0.524 nan 8.300 nan 0.000 0.441 460 D N 4.898 125.245 120.400 -0.087 0.000 2.280 460 D HA 0.375 5.017 4.640 0.004 0.000 0.243 460 D C -0.189 176.198 176.300 0.145 0.000 1.129 460 D CA 0.098 54.113 54.000 0.024 0.000 0.848 460 D CB 1.061 41.812 40.800 -0.082 0.000 1.107 460 D HN 0.588 nan 8.370 nan 0.000 0.471 461 L N 2.982 124.287 121.223 0.136 0.000 3.110 461 L HA 0.156 4.498 4.340 0.004 0.000 0.266 461 L C 1.698 178.596 176.870 0.045 0.000 1.257 461 L CA -0.271 54.617 54.840 0.079 0.000 1.038 461 L CB 0.119 42.167 42.059 -0.018 0.000 1.395 461 L HN 0.282 nan 8.230 nan 0.000 0.566 462 S N 0.858 116.581 115.700 0.039 0.000 2.427 462 S HA -0.207 4.265 4.470 0.004 0.000 0.231 462 S C 0.867 175.488 174.600 0.035 0.000 1.045 462 S CA 1.682 59.897 58.200 0.025 0.000 1.154 462 S CB -0.187 63.024 63.200 0.018 0.000 1.093 462 S HN 0.340 nan 8.310 nan 0.000 0.422 463 K N 1.847 122.270 120.400 0.039 0.000 2.142 463 K HA 0.385 4.707 4.320 0.004 0.000 0.250 463 K C -1.398 175.241 176.600 0.064 0.000 1.148 463 K CA 0.038 56.353 56.287 0.047 0.000 1.040 463 K CB 0.530 33.052 32.500 0.035 0.000 1.569 463 K HN 0.051 nan 8.250 nan 0.000 0.361 464 V N 3.138 123.117 119.914 0.108 0.000 2.538 464 V HA 0.091 4.214 4.120 0.004 0.000 0.265 464 V C -0.664 175.583 176.094 0.255 0.000 0.977 464 V CA -0.912 61.470 62.300 0.137 0.000 0.852 464 V CB 1.106 33.041 31.823 0.187 0.000 1.058 464 V HN 0.513 nan 8.190 nan 0.000 0.462 465 L N 4.702 126.025 121.223 0.168 0.000 2.698 465 L HA 0.277 4.619 4.340 0.004 0.000 0.272 465 L C -0.612 176.366 176.870 0.179 0.000 1.154 465 L CA 0.995 55.966 54.840 0.218 0.000 0.964 465 L CB -0.347 41.822 42.059 0.184 0.000 1.272 465 L HN 0.382 nan 8.230 nan 0.000 0.483 466 F N 5.963 125.947 119.950 0.056 0.000 2.394 466 F HA 0.517 5.046 4.527 0.004 0.000 0.340 466 F C 0.711 176.529 175.800 0.030 0.000 1.105 466 F CA -0.363 57.660 58.000 0.038 0.000 1.124 466 F CB 1.056 40.057 39.000 0.003 0.000 1.145 466 F HN 0.262 nan 8.300 nan 0.000 0.505 467 I N 2.226 122.871 120.570 0.125 0.000 2.722 467 I HA 0.648 4.820 4.170 0.004 0.000 0.295 467 I C -0.942 175.213 176.117 0.063 0.000 1.161 467 I CA -1.080 60.261 61.300 0.069 0.000 1.032 467 I CB 2.147 40.175 38.000 0.046 0.000 1.244 467 I HN 0.597 nan 8.210 nan 0.000 0.421 468 A N 3.387 126.235 122.820 0.047 0.000 2.365 468 A HA 0.847 5.169 4.320 0.004 0.000 0.318 468 A C -0.395 177.207 177.584 0.029 0.000 1.091 468 A CA -0.459 51.605 52.037 0.045 0.000 0.763 468 A CB 1.502 20.532 19.000 0.051 0.000 1.248 468 A HN 0.654 nan 8.150 nan 0.000 0.442 469 T N 0.790 115.363 114.554 0.032 0.000 2.912 469 T HA 0.829 5.181 4.350 0.004 0.000 0.280 469 T C 0.051 174.764 174.700 0.023 0.000 0.989 469 T CA 0.471 62.586 62.100 0.026 0.000 0.995 469 T CB 1.480 70.368 68.868 0.033 0.000 1.077 469 T HN 1.978 nan 8.240 nan 0.000 0.531 470 A N 0.968 123.799 122.820 0.018 0.000 2.571 470 A HA 0.562 4.884 4.320 0.004 0.000 0.296 470 A C -0.512 177.081 177.584 0.015 0.000 1.005 470 A CA -0.849 51.199 52.037 0.018 0.000 0.682 470 A CB 0.474 19.486 19.000 0.019 0.000 1.292 470 A HN 0.754 nan 8.150 nan 0.000 0.420 471 N N 0.623 119.333 118.700 0.017 0.000 3.261 471 N HA 0.174 4.916 4.740 0.004 0.000 0.217 471 N C 0.226 175.752 175.510 0.027 0.000 1.152 471 N CA -0.041 53.018 53.050 0.015 0.000 1.153 471 N CB -0.023 38.470 38.487 0.009 0.000 1.474 471 N HN 0.568 nan 8.380 nan 0.000 0.577 472 N N 1.737 120.454 118.700 0.028 0.000 2.466 472 N HA 0.108 4.851 4.740 0.004 0.000 0.263 472 N C 0.267 175.798 175.510 0.035 0.000 1.178 472 N CA 0.055 53.128 53.050 0.038 0.000 0.983 472 N CB -0.043 38.463 38.487 0.032 0.000 1.331 472 N HN 0.300 nan 8.380 nan 0.000 0.500 473 L N 1.918 123.165 121.223 0.040 0.000 2.556 473 L HA -0.205 4.137 4.340 0.004 0.000 0.230 473 L C 1.953 178.836 176.870 0.022 0.000 1.163 473 L CA 0.740 55.597 54.840 0.029 0.000 0.819 473 L CB -0.388 41.688 42.059 0.028 0.000 0.939 473 L HN 0.596 nan 8.230 nan 0.000 0.452 474 A N -0.103 122.732 122.820 0.025 0.000 1.836 474 A HA -0.296 4.026 4.320 0.004 0.000 0.212 474 A C 2.335 179.930 177.584 0.017 0.000 1.243 474 A CA 2.290 54.338 52.037 0.019 0.000 0.620 474 A CB -1.362 17.650 19.000 0.021 0.000 0.889 474 A HN 0.377 nan 8.150 nan 0.000 0.463 475 T N -0.529 114.037 114.554 0.019 0.000 2.856 475 T HA -0.225 4.128 4.350 0.004 0.000 0.260 475 T C 0.788 175.499 174.700 0.018 0.000 1.043 475 T CA 1.417 63.528 62.100 0.018 0.000 1.155 475 T CB -1.072 67.808 68.868 0.019 0.000 0.825 475 T HN 0.306 nan 8.240 nan 0.000 0.503 476 I N 2.590 123.171 120.570 0.019 0.000 2.845 476 I HA 0.054 4.226 4.170 0.004 0.000 0.296 476 I C -2.040 174.086 176.117 0.015 0.000 1.216 476 I CA -1.439 59.872 61.300 0.018 0.000 1.438 476 I CB 0.550 38.561 38.000 0.018 0.000 1.342 476 I HN 0.211 nan 8.210 nan 0.000 0.577 477 P HA 0.062 nan 4.420 nan 0.000 0.276 477 P C 0.856 178.161 177.300 0.009 0.000 1.264 477 P CA -0.063 63.044 63.100 0.012 0.000 0.769 477 P CB 1.012 32.720 31.700 0.013 0.000 0.840 478 G N 6.208 115.012 108.800 0.006 0.000 2.663 478 G HA2 -0.267 3.696 3.960 0.004 0.000 0.222 478 G HA3 -0.267 3.696 3.960 0.004 0.000 0.222 478 G C -0.957 173.944 174.900 0.003 0.000 1.146 478 G CA 0.996 46.098 45.100 0.003 0.000 0.764 478 G HN 0.405 nan 8.290 nan 0.000 0.608 479 P HA -0.119 nan 4.420 nan 0.000 0.217 479 P C 2.095 179.396 177.300 0.001 0.000 1.162 479 P CA 1.030 64.131 63.100 0.001 0.000 0.901 479 P CB -0.099 31.602 31.700 0.002 0.000 0.793 480 L N -1.045 120.181 121.223 0.005 0.000 2.005 480 L HA -0.087 4.256 4.340 0.004 0.000 0.207 480 L C 2.553 179.427 176.870 0.007 0.000 1.072 480 L CA 1.735 56.580 54.840 0.007 0.000 0.744 480 L CB -1.719 40.349 42.059 0.014 0.000 0.895 480 L HN 0.009 nan 8.230 nan 0.000 0.433 481 R N 0.149 120.654 120.500 0.007 0.000 2.226 481 R HA -0.205 4.137 4.340 0.004 0.000 0.246 481 R C 1.364 177.666 176.300 0.003 0.000 1.161 481 R CA 1.634 57.738 56.100 0.006 0.000 0.997 481 R CB 0.007 30.310 30.300 0.005 0.000 0.870 481 R HN 0.465 nan 8.270 nan 0.000 0.465 482 D N -0.563 119.839 120.400 0.002 0.000 2.277 482 D HA -0.022 4.620 4.640 0.004 0.000 0.209 482 D C 1.568 177.868 176.300 0.001 0.000 0.970 482 D CA 0.333 54.334 54.000 0.001 0.000 0.874 482 D CB -0.023 40.776 40.800 -0.001 0.000 0.982 482 D HN 0.155 nan 8.370 nan 0.000 0.504 483 R N 0.587 121.086 120.500 -0.001 0.000 2.280 483 R HA 0.071 4.413 4.340 0.004 0.000 0.207 483 R C 1.102 177.403 176.300 0.001 0.000 1.043 483 R CA 0.262 56.359 56.100 -0.004 0.000 1.006 483 R CB -0.159 30.134 30.300 -0.013 0.000 0.885 483 R HN 0.368 nan 8.270 nan 0.000 0.467 484 M N -1.063 118.541 119.600 0.006 0.000 2.464 484 M HA 0.404 4.886 4.480 0.004 0.000 0.308 484 M C -0.728 175.577 176.300 0.009 0.000 1.127 484 M CA -0.683 54.624 55.300 0.011 0.000 0.913 484 M CB 2.805 35.412 32.600 0.012 0.000 1.689 484 M HN -0.256 nan 8.290 nan 0.000 0.445 485 E N 3.161 123.366 120.200 0.010 0.000 2.227 485 E HA 0.500 4.852 4.350 0.004 0.000 0.282 485 E C -1.555 175.034 176.600 -0.019 0.000 1.015 485 E CA -0.585 55.817 56.400 0.004 0.000 0.823 485 E CB 1.249 30.965 29.700 0.026 0.000 1.081 485 E HN 0.793 nan 8.360 nan 0.000 0.396 486 I N 5.599 126.160 120.570 -0.015 0.000 2.437 486 I HA 0.345 4.517 4.170 0.004 0.000 0.298 486 I C -0.209 175.892 176.117 -0.027 0.000 0.984 486 I CA -0.839 60.449 61.300 -0.021 0.000 1.214 486 I CB 1.346 39.340 38.000 -0.010 0.000 1.365 486 I HN 0.480 nan 8.210 nan 0.000 0.469 487 I N 5.017 125.565 120.570 -0.036 0.000 2.498 487 I HA 0.305 4.478 4.170 0.004 0.000 0.290 487 I C -0.999 175.099 176.117 -0.031 0.000 1.032 487 I CA -0.790 60.487 61.300 -0.038 0.000 1.073 487 I CB 1.884 39.850 38.000 -0.057 0.000 1.251 487 I HN 0.484 nan 8.210 nan 0.000 0.426 488 N N 6.771 125.455 118.700 -0.026 0.000 2.437 488 N HA 0.435 5.177 4.740 0.004 0.000 0.259 488 N C -0.619 174.862 175.510 -0.047 0.000 0.983 488 N CA -0.557 52.479 53.050 -0.023 0.000 0.937 488 N CB 1.141 39.627 38.487 -0.001 0.000 1.122 488 N HN 0.380 nan 8.380 nan 0.000 0.499 489 I N 0.619 121.151 120.570 -0.063 0.000 2.472 489 I HA 0.306 4.478 4.170 0.004 0.000 0.290 489 I C 1.017 177.053 176.117 -0.135 0.000 1.016 489 I CA -0.379 60.858 61.300 -0.106 0.000 1.348 489 I CB 1.025 38.963 38.000 -0.102 0.000 1.417 489 I HN 0.547 nan 8.210 nan 0.000 0.521 490 A N 4.056 126.754 122.820 -0.204 0.000 1.963 490 A HA 0.634 4.956 4.320 0.004 0.000 0.207 490 A C 1.021 178.460 177.584 -0.241 0.000 1.243 490 A CA 0.731 52.661 52.037 -0.178 0.000 0.728 490 A CB 0.032 18.950 19.000 -0.138 0.000 0.895 490 A HN 1.147 nan 8.150 nan 0.000 0.467 491 G N -2.408 106.123 108.800 -0.448 0.000 2.293 491 G HA2 0.316 4.278 3.960 0.004 0.000 0.282 491 G HA3 0.316 4.278 3.960 0.004 0.000 0.282 491 G C -1.419 173.146 174.900 -0.558 0.000 1.299 491 G CA -0.435 44.413 45.100 -0.420 0.000 1.018 491 G HN 0.630 nan 8.290 nan 0.000 0.478 492 Y N -0.420 119.875 120.300 -0.008 0.000 2.521 492 Y HA 0.561 5.112 4.550 0.002 0.000 0.332 492 Y C 0.680 176.583 175.900 0.005 0.000 1.121 492 Y CA -0.243 57.857 58.100 -0.000 0.000 1.037 492 Y CB 1.784 40.236 38.460 -0.013 0.000 1.330 492 Y HN 0.798 nan 8.280 nan 0.000 0.452 493 T N 0.266 114.929 114.554 0.183 0.000 2.898 493 T HA 0.104 4.456 4.350 0.004 0.000 0.301 493 T C 1.153 175.907 174.700 0.092 0.000 1.049 493 T CA -0.593 61.580 62.100 0.122 0.000 1.095 493 T CB 1.074 69.998 68.868 0.093 0.000 0.976 493 T HN 0.742 nan 8.240 nan 0.000 0.539 494 E N 0.180 120.435 120.200 0.091 0.000 2.065 494 E HA -0.186 4.167 4.350 0.004 0.000 0.201 494 E C 2.089 178.690 176.600 0.001 0.000 1.016 494 E CA 1.059 57.476 56.400 0.029 0.000 0.818 494 E CB -0.132 29.589 29.700 0.034 0.000 0.749 494 E HN 0.490 nan 8.360 nan 0.000 0.453 495 I N 1.567 122.152 120.570 0.025 0.000 2.091 495 I HA -0.346 3.827 4.170 0.004 0.000 0.240 495 I C 2.247 178.323 176.117 -0.069 0.000 1.046 495 I CA 1.648 62.946 61.300 -0.004 0.000 1.306 495 I CB -1.242 36.776 38.000 0.030 0.000 1.018 495 I HN 0.215 nan 8.210 nan 0.000 0.404 496 E N 0.399 120.578 120.200 -0.034 0.000 2.021 496 E HA -0.277 4.075 4.350 0.004 0.000 0.200 496 E C 2.190 178.608 176.600 -0.304 0.000 1.015 496 E CA 1.814 58.139 56.400 -0.126 0.000 0.824 496 E CB -0.135 29.633 29.700 0.115 0.000 0.762 496 E HN 0.407 nan 8.360 nan 0.000 0.454 497 K N 0.363 120.634 120.400 -0.216 0.000 2.032 497 K HA -0.262 4.061 4.320 0.004 0.000 0.218 497 K C 2.207 178.661 176.600 -0.244 0.000 1.054 497 K CA 1.729 57.858 56.287 -0.262 0.000 0.941 497 K CB -0.476 31.945 32.500 -0.133 0.000 0.720 497 K HN 0.054 nan 8.250 nan 0.000 0.449 498 L N 1.766 122.882 121.223 -0.177 0.000 1.997 498 L HA -0.274 4.069 4.340 0.004 0.000 0.216 498 L C 2.013 178.772 176.870 -0.184 0.000 1.074 498 L CA 1.969 56.721 54.840 -0.147 0.000 0.763 498 L CB -0.454 41.544 42.059 -0.102 0.000 0.890 498 L HN 0.202 nan 8.230 nan 0.000 0.434 499 E N -0.003 120.028 120.200 -0.281 0.000 2.047 499 E HA -0.190 4.163 4.350 0.004 0.000 0.191 499 E C 2.346 178.770 176.600 -0.294 0.000 0.987 499 E CA 1.815 58.020 56.400 -0.324 0.000 0.799 499 E CB -0.341 28.994 29.700 -0.608 0.000 0.752 499 E HN 0.672 nan 8.360 nan 0.000 0.449 500 I N 0.920 121.242 120.570 -0.413 0.000 2.194 500 I HA -0.278 3.895 4.170 0.004 0.000 0.246 500 I C 2.529 178.546 176.117 -0.167 0.000 1.093 500 I CA 0.948 62.043 61.300 -0.341 0.000 1.355 500 I CB -0.804 36.930 38.000 -0.443 0.000 1.046 500 I HN -0.064 nan 8.210 nan 0.000 0.413 501 V N 1.202 121.022 119.914 -0.157 0.000 2.252 501 V HA -0.318 3.804 4.120 0.004 0.000 0.249 501 V C 2.560 178.621 176.094 -0.055 0.000 1.056 501 V CA 2.135 64.376 62.300 -0.098 0.000 1.022 501 V CB -0.688 31.073 31.823 -0.103 0.000 0.641 501 V HN 0.407 nan 8.190 nan 0.000 0.445 502 K N -0.455 119.913 120.400 -0.054 0.000 2.057 502 K HA -0.134 4.188 4.320 0.004 0.000 0.206 502 K C 1.699 178.303 176.600 0.007 0.000 1.050 502 K CA 1.654 57.923 56.287 -0.030 0.000 0.935 502 K CB -0.170 32.308 32.500 -0.037 0.000 0.715 502 K HN 0.436 nan 8.250 nan 0.000 0.439 503 D N -1.318 119.132 120.400 0.084 0.000 2.367 503 D HA 0.025 4.667 4.640 0.004 0.000 0.207 503 D C 0.929 177.246 176.300 0.028 0.000 1.034 503 D CA 0.797 54.855 54.000 0.096 0.000 0.861 503 D CB 0.470 41.381 40.800 0.185 0.000 0.943 503 D HN 0.280 nan 8.370 nan 0.000 0.515 504 H N -1.105 117.927 119.070 -0.063 0.000 1.920 504 H HA 0.294 4.852 4.556 0.004 0.000 0.186 504 H C 1.931 177.217 175.328 -0.070 0.000 0.924 504 H CA -0.297 55.709 56.048 -0.069 0.000 1.039 504 H CB 0.106 29.818 29.762 -0.083 0.000 1.126 504 H HN -0.182 nan 8.280 nan 0.000 0.379 505 L N 0.457 121.721 121.223 0.068 0.000 1.971 505 L HA -0.196 4.146 4.340 0.004 0.000 0.215 505 L C 2.242 179.107 176.870 -0.008 0.000 1.072 505 L CA 1.433 56.274 54.840 0.002 0.000 0.758 505 L CB -0.343 41.692 42.059 -0.040 0.000 0.889 505 L HN 0.205 nan 8.230 nan 0.000 0.433 506 L N 0.332 121.541 121.223 -0.024 0.000 1.955 506 L HA -0.109 4.233 4.340 0.004 0.000 0.213 506 L C -0.278 176.576 176.870 -0.027 0.000 1.072 506 L CA 2.242 57.058 54.840 -0.039 0.000 0.755 506 L CB -2.285 39.740 42.059 -0.058 0.000 0.888 506 L HN 0.018 nan 8.230 nan 0.000 0.432 507 P HA -0.256 nan 4.420 nan 0.000 0.216 507 P C 1.620 178.910 177.300 -0.017 0.000 1.157 507 P CA 2.018 65.100 63.100 -0.031 0.000 0.880 507 P CB -0.138 31.533 31.700 -0.048 0.000 0.791 508 K N -0.509 119.883 120.400 -0.013 0.000 2.074 508 K HA -0.246 4.077 4.320 0.004 0.000 0.209 508 K C 2.112 178.729 176.600 0.027 0.000 1.048 508 K CA 1.506 57.791 56.287 -0.003 0.000 0.926 508 K CB -0.248 32.250 32.500 -0.003 0.000 0.713 508 K HN 0.053 nan 8.250 nan 0.000 0.444 509 Q N 0.251 120.079 119.800 0.046 0.000 2.187 509 Q HA -0.042 4.300 4.340 0.004 0.000 0.199 509 Q C 2.186 178.294 176.000 0.179 0.000 0.957 509 Q CA 0.718 56.602 55.803 0.136 0.000 0.857 509 Q CB 0.039 28.828 28.738 0.085 0.000 0.929 509 Q HN 0.412 nan 8.270 nan 0.000 0.453 510 I N 1.076 121.681 120.570 0.057 0.000 2.099 510 I HA -0.272 3.900 4.170 0.004 0.000 0.239 510 I C 2.338 178.495 176.117 0.066 0.000 1.066 510 I CA 1.250 62.573 61.300 0.039 0.000 1.324 510 I CB -0.823 37.174 38.000 -0.005 0.000 1.037 510 I HN 0.205 nan 8.210 nan 0.000 0.401 511 K N 1.092 121.512 120.400 0.033 0.000 2.209 511 K HA -0.221 4.101 4.320 0.004 0.000 0.204 511 K C 1.898 178.508 176.600 0.017 0.000 1.048 511 K CA 1.440 57.736 56.287 0.015 0.000 0.940 511 K CB 0.026 32.522 32.500 -0.006 0.000 0.729 511 K HN 0.373 nan 8.250 nan 0.000 0.451 512 E N -0.843 119.378 120.200 0.034 0.000 2.170 512 E HA -0.096 4.257 4.350 0.004 0.000 0.191 512 E C 0.435 176.974 176.600 -0.102 0.000 0.981 512 E CA 0.454 56.833 56.400 -0.035 0.000 0.830 512 E CB 0.146 29.815 29.700 -0.052 0.000 0.775 512 E HN 0.355 nan 8.360 nan 0.000 0.470 513 H N -0.369 118.692 119.070 -0.015 0.000 2.708 513 H HA 0.255 4.813 4.556 0.004 0.000 0.309 513 H C 0.097 175.420 175.328 -0.010 0.000 1.084 513 H CA 0.410 56.452 56.048 -0.010 0.000 1.165 513 H CB 0.132 29.889 29.762 -0.008 0.000 1.388 513 H HN 0.199 nan 8.280 nan 0.000 0.553 514 G N 1.950 110.780 108.800 0.051 0.000 2.246 514 G HA2 -0.175 3.787 3.960 0.004 0.000 0.227 514 G HA3 -0.175 3.787 3.960 0.004 0.000 0.227 514 G C -0.037 174.887 174.900 0.041 0.000 0.404 514 G CA 1.194 46.313 45.100 0.032 0.000 1.034 514 G HN 0.592 nan 8.290 nan 0.000 0.425 515 L N -2.256 118.988 121.223 0.035 0.000 2.892 515 L HA 0.788 5.130 4.340 0.004 0.000 0.269 515 L C -0.562 176.312 176.870 0.007 0.000 1.058 515 L CA -1.746 53.106 54.840 0.020 0.000 0.923 515 L CB 1.169 43.242 42.059 0.024 0.000 1.518 515 L HN -0.017 nan 8.230 nan 0.000 0.402 516 K N 0.957 121.356 120.400 -0.001 0.000 2.118 516 K HA 0.213 4.535 4.320 0.004 0.000 0.264 516 K C 0.282 176.873 176.600 -0.015 0.000 1.000 516 K CA -0.621 55.661 56.287 -0.008 0.000 0.929 516 K CB 1.911 34.407 32.500 -0.008 0.000 1.021 516 K HN 0.599 nan 8.250 nan 0.000 0.463 517 K N 1.296 121.685 120.400 -0.020 0.000 2.211 517 K HA -0.113 4.210 4.320 0.004 0.000 0.204 517 K C 1.248 177.832 176.600 -0.026 0.000 1.047 517 K CA 1.682 57.953 56.287 -0.027 0.000 0.935 517 K CB -0.310 32.174 32.500 -0.028 0.000 0.728 517 K HN 0.553 nan 8.250 nan 0.000 0.452 518 S N -1.123 114.565 115.700 -0.020 0.000 2.650 518 S HA 0.074 4.546 4.470 0.004 0.000 0.219 518 S C 1.233 175.823 174.600 -0.017 0.000 0.960 518 S CA 0.360 58.549 58.200 -0.018 0.000 0.925 518 S CB -0.294 62.898 63.200 -0.014 0.000 0.775 518 S HN 0.388 nan 8.310 nan 0.000 0.525 519 N N 0.275 118.963 118.700 -0.020 0.000 2.388 519 N HA 0.349 5.091 4.740 0.004 0.000 0.176 519 N C -0.594 174.901 175.510 -0.025 0.000 1.062 519 N CA 0.110 53.150 53.050 -0.016 0.000 0.895 519 N CB 0.522 39.003 38.487 -0.010 0.000 1.018 519 N HN 0.346 nan 8.380 nan 0.000 0.456 520 L N 0.477 121.675 121.223 -0.042 0.000 2.847 520 L HA 0.309 4.652 4.340 0.004 0.000 0.261 520 L C -2.156 174.665 176.870 -0.082 0.000 0.926 520 L CA -0.351 54.448 54.840 -0.069 0.000 1.010 520 L CB 1.544 43.551 42.059 -0.086 0.000 1.538 520 L HN -0.163 nan 8.230 nan 0.000 0.465 521 Q N 3.852 123.596 119.800 -0.093 0.000 2.372 521 Q HA 0.828 5.171 4.340 0.004 0.000 0.273 521 Q C -1.779 174.148 176.000 -0.121 0.000 1.078 521 Q CA -0.914 54.834 55.803 -0.092 0.000 0.806 521 Q CB 2.237 30.936 28.738 -0.064 0.000 1.332 521 Q HN 0.774 nan 8.270 nan 0.000 0.435 522 L N 0.918 122.066 121.223 -0.124 0.000 2.341 522 L HA 0.678 5.021 4.340 0.004 0.000 0.278 522 L C -0.146 176.666 176.870 -0.097 0.000 1.005 522 L CA -1.262 53.495 54.840 -0.138 0.000 0.818 522 L CB 1.393 43.347 42.059 -0.175 0.000 1.259 522 L HN 0.357 nan 8.230 nan 0.000 0.418 523 R N 1.227 121.677 120.500 -0.083 0.000 2.643 523 R HA 0.040 4.382 4.340 0.004 0.000 0.270 523 R C 0.206 176.475 176.300 -0.052 0.000 1.061 523 R CA -0.360 55.706 56.100 -0.056 0.000 1.107 523 R CB 0.836 31.110 30.300 -0.043 0.000 0.999 523 R HN 0.709 nan 8.270 nan 0.000 0.460 524 D N 1.598 121.974 120.400 -0.039 0.000 2.127 524 D HA -0.234 4.409 4.640 0.004 0.000 0.190 524 D C 1.697 177.981 176.300 -0.028 0.000 1.000 524 D CA 1.626 55.606 54.000 -0.035 0.000 0.839 524 D CB -0.022 40.764 40.800 -0.023 0.000 0.955 524 D HN 0.477 nan 8.370 nan 0.000 0.446 525 Q N 0.446 120.237 119.800 -0.015 0.000 2.152 525 Q HA -0.134 4.209 4.340 0.004 0.000 0.206 525 Q C 1.815 177.813 176.000 -0.003 0.000 0.985 525 Q CA 2.020 57.823 55.803 0.001 0.000 0.863 525 Q CB -0.496 28.248 28.738 0.010 0.000 0.904 525 Q HN 0.269 nan 8.270 nan 0.000 0.422 526 A N 0.151 122.954 122.820 -0.029 0.000 1.873 526 A HA -0.114 4.208 4.320 0.004 0.000 0.215 526 A C 2.103 179.650 177.584 -0.061 0.000 1.186 526 A CA 1.329 53.337 52.037 -0.048 0.000 0.616 526 A CB -0.687 18.263 19.000 -0.083 0.000 0.823 526 A HN 0.472 nan 8.150 nan 0.000 0.442 527 I N -0.143 120.385 120.570 -0.070 0.000 2.118 527 I HA -0.282 3.890 4.170 0.004 0.000 0.241 527 I C 2.470 178.560 176.117 -0.046 0.000 1.070 527 I CA 1.230 62.486 61.300 -0.074 0.000 1.327 527 I CB -0.579 37.376 38.000 -0.075 0.000 1.034 527 I HN 0.264 nan 8.210 nan 0.000 0.405 528 L N 0.587 121.795 121.223 -0.025 0.000 1.990 528 L HA -0.290 4.052 4.340 0.004 0.000 0.213 528 L C 2.321 179.215 176.870 0.040 0.000 1.072 528 L CA 2.248 57.084 54.840 -0.007 0.000 0.755 528 L CB -1.394 40.670 42.059 0.010 0.000 0.889 528 L HN 0.291 nan 8.230 nan 0.000 0.432 529 D N -0.133 120.323 120.400 0.093 0.000 2.106 529 D HA -0.214 4.428 4.640 0.004 0.000 0.191 529 D C 2.258 178.707 176.300 0.248 0.000 0.997 529 D CA 1.118 55.260 54.000 0.236 0.000 0.834 529 D CB -0.235 40.647 40.800 0.136 0.000 0.956 529 D HN 0.293 nan 8.370 nan 0.000 0.448 530 I N 0.545 121.131 120.570 0.027 0.000 2.181 530 I HA -0.311 3.861 4.170 0.004 0.000 0.247 530 I C 2.296 178.486 176.117 0.122 0.000 1.081 530 I CA 0.973 62.222 61.300 -0.085 0.000 1.340 530 I CB -0.293 37.612 38.000 -0.159 0.000 1.036 530 I HN 0.068 nan 8.210 nan 0.000 0.417 531 I N 0.153 120.761 120.570 0.063 0.000 2.141 531 I HA -0.255 3.917 4.170 0.004 0.000 0.236 531 I C 2.747 178.863 176.117 -0.001 0.000 1.071 531 I CA 1.323 62.637 61.300 0.024 0.000 1.345 531 I CB -0.442 37.526 38.000 -0.053 0.000 1.066 531 I HN 0.067 nan 8.210 nan 0.000 0.406 532 R N -0.110 120.317 120.500 -0.121 0.000 2.117 532 R HA -0.202 4.141 4.340 0.004 0.000 0.243 532 R C 1.816 177.916 176.300 -0.333 0.000 1.143 532 R CA 1.901 57.718 56.100 -0.472 0.000 0.968 532 R CB -0.288 29.526 30.300 -0.809 0.000 0.863 532 R HN 0.421 nan 8.270 nan 0.000 0.444 533 Y N -3.379 117.027 120.300 0.177 0.000 2.442 533 Y HA 0.137 4.690 4.550 0.005 0.000 0.250 533 Y C 0.424 176.419 175.900 0.158 0.000 1.113 533 Y CA -0.006 58.216 58.100 0.203 0.000 1.273 533 Y CB 0.731 39.284 38.460 0.154 0.000 1.138 533 Y HN 0.009 nan 8.280 nan 0.000 0.522 534 Y N -0.794 119.695 120.300 0.316 0.000 2.563 534 Y HA 0.280 4.831 4.550 0.003 0.000 0.250 534 Y C 0.382 176.569 175.900 0.479 0.000 1.126 534 Y CA -0.728 57.520 58.100 0.248 0.000 1.231 534 Y CB 0.604 39.133 38.460 0.114 0.000 1.288 534 Y HN -0.135 nan 8.280 nan 0.000 0.537 535 T N -1.670 113.231 114.554 0.578 0.000 3.031 535 T HA 0.481 4.833 4.350 0.004 0.000 0.305 535 T C -0.850 173.715 174.700 -0.225 0.000 0.985 535 T CA -0.827 61.429 62.100 0.259 0.000 1.008 535 T CB 1.800 70.740 68.868 0.121 0.000 1.005 535 T HN 0.197 nan 8.240 nan 0.000 0.444 536 R N 2.961 123.003 120.500 -0.762 0.000 2.860 536 R HA 0.326 4.668 4.340 0.004 0.000 0.282 536 R C 0.163 176.251 176.300 -0.353 0.000 1.408 536 R CA -0.403 55.313 56.100 -0.641 0.000 1.636 536 R CB 0.287 30.055 30.300 -0.887 0.000 1.187 536 R HN 0.885 nan 8.270 nan 0.000 0.611 537 E N 0.206 120.294 120.200 -0.187 0.000 2.355 537 E HA 0.514 4.866 4.350 0.004 0.000 0.261 537 E C -0.517 176.042 176.600 -0.068 0.000 0.943 537 E CA -0.847 55.493 56.400 -0.100 0.000 0.806 537 E CB 1.708 31.385 29.700 -0.039 0.000 1.286 537 E HN 0.162 nan 8.360 nan 0.000 0.424 538 A N 1.140 123.932 122.820 -0.046 0.000 2.063 538 A HA 0.307 4.629 4.320 0.004 0.000 0.211 538 A C 1.169 178.781 177.584 0.047 0.000 1.177 538 A CA 0.831 52.853 52.037 -0.026 0.000 0.759 538 A CB -0.394 18.561 19.000 -0.074 0.000 0.857 538 A HN 0.621 nan 8.150 nan 0.000 0.468 539 G N -0.724 108.107 108.800 0.052 0.000 2.546 539 G HA2 0.364 4.326 3.960 0.004 0.000 0.239 539 G HA3 0.364 4.326 3.960 0.004 0.000 0.239 539 G C 0.484 175.469 174.900 0.141 0.000 1.476 539 G CA 0.854 46.034 45.100 0.134 0.000 1.064 539 G HN 0.928 nan 8.290 nan 0.000 0.561 540 V N -2.768 117.204 119.914 0.098 0.000 3.070 540 V HA 0.458 4.580 4.120 0.004 0.000 0.355 540 V C 1.555 177.661 176.094 0.021 0.000 1.400 540 V CA -0.004 62.313 62.300 0.028 0.000 1.170 540 V CB 0.042 31.839 31.823 -0.043 0.000 1.169 540 V HN 0.609 nan 8.190 nan 0.000 0.554 541 R N 0.812 121.333 120.500 0.036 0.000 2.057 541 R HA -0.060 4.282 4.340 0.004 0.000 0.229 541 R C 2.465 178.788 176.300 0.038 0.000 1.136 541 R CA 1.873 57.993 56.100 0.034 0.000 0.952 541 R CB -0.463 29.858 30.300 0.036 0.000 0.848 541 R HN 0.513 nan 8.270 nan 0.000 0.430 542 S N 0.461 116.191 115.700 0.049 0.000 2.387 542 S HA -0.151 4.321 4.470 0.004 0.000 0.230 542 S C 1.847 176.484 174.600 0.062 0.000 1.035 542 S CA 1.258 59.501 58.200 0.072 0.000 1.014 542 S CB -0.289 62.973 63.200 0.102 0.000 0.836 542 S HN 0.383 nan 8.310 nan 0.000 0.466 543 L N 0.831 122.077 121.223 0.038 0.000 2.046 543 L HA -0.119 4.223 4.340 0.004 0.000 0.208 543 L C 2.661 179.530 176.870 -0.003 0.000 1.077 543 L CA 1.889 56.736 54.840 0.012 0.000 0.747 543 L CB -0.466 41.582 42.059 -0.017 0.000 0.896 543 L HN 0.469 nan 8.230 nan 0.000 0.432 544 E N -0.320 119.881 120.200 0.003 0.000 2.077 544 E HA -0.258 4.095 4.350 0.004 0.000 0.193 544 E C 2.293 178.901 176.600 0.014 0.000 0.989 544 E CA 1.015 57.416 56.400 0.002 0.000 0.800 544 E CB 0.094 29.800 29.700 0.010 0.000 0.746 544 E HN 0.385 nan 8.360 nan 0.000 0.452 545 R N -0.074 120.444 120.500 0.029 0.000 2.081 545 R HA -0.113 4.229 4.340 0.004 0.000 0.235 545 R C 2.476 178.793 176.300 0.027 0.000 1.131 545 R CA 1.263 57.386 56.100 0.039 0.000 0.960 545 R CB 0.005 30.335 30.300 0.051 0.000 0.856 545 R HN 0.202 nan 8.270 nan 0.000 0.436 546 Q N 0.324 120.136 119.800 0.019 0.000 2.172 546 Q HA -0.072 4.271 4.340 0.004 0.000 0.200 546 Q C 2.241 178.209 176.000 -0.053 0.000 0.964 546 Q CA 0.865 56.665 55.803 -0.005 0.000 0.855 546 Q CB 0.032 28.766 28.738 -0.007 0.000 0.918 546 Q HN 0.392 nan 8.270 nan 0.000 0.444 547 L N 0.203 121.392 121.223 -0.057 0.000 1.970 547 L HA -0.231 4.112 4.340 0.004 0.000 0.212 547 L C 2.517 179.322 176.870 -0.109 0.000 1.071 547 L CA 1.395 56.181 54.840 -0.091 0.000 0.751 547 L CB -0.767 41.249 42.059 -0.072 0.000 0.889 547 L HN 0.145 nan 8.230 nan 0.000 0.432 548 A N -0.074 122.706 122.820 -0.066 0.000 1.903 548 A HA -0.326 3.997 4.320 0.004 0.000 0.219 548 A C 2.516 180.014 177.584 -0.145 0.000 1.191 548 A CA 2.279 54.252 52.037 -0.107 0.000 0.638 548 A CB -1.047 18.015 19.000 0.103 0.000 0.823 548 A HN 0.497 nan 8.150 nan 0.000 0.451 549 A N 0.035 122.830 122.820 -0.042 0.000 1.923 549 A HA -0.283 4.039 4.320 0.004 0.000 0.222 549 A C 2.135 179.706 177.584 -0.021 0.000 1.258 549 A CA 2.204 54.235 52.037 -0.010 0.000 0.670 549 A CB -0.884 18.125 19.000 0.014 0.000 0.834 549 A HN 0.632 nan 8.150 nan 0.000 0.470 550 I N -1.362 119.170 120.570 -0.063 0.000 2.193 550 I HA -0.256 3.916 4.170 0.004 0.000 0.240 550 I C 2.576 178.609 176.117 -0.140 0.000 1.084 550 I CA 1.067 62.328 61.300 -0.066 0.000 1.365 550 I CB -0.998 36.872 38.000 -0.217 0.000 1.064 550 I HN 0.402 nan 8.210 nan 0.000 0.410 551 C N 0.885 120.014 119.300 -0.285 0.000 2.385 551 C HA -0.248 4.215 4.460 0.004 0.000 0.275 551 C C 3.060 177.832 174.990 -0.363 0.000 1.199 551 C CA 1.468 60.232 59.018 -0.423 0.000 1.782 551 C CB -1.269 25.978 27.740 -0.823 0.000 2.068 551 C HN 0.421 nan 8.230 nan 0.000 0.471 552 R N 0.454 120.757 120.500 -0.328 0.000 2.070 552 R HA -0.087 4.256 4.340 0.004 0.000 0.227 552 R C 2.522 178.831 176.300 0.014 0.000 1.147 552 R CA 1.226 57.289 56.100 -0.062 0.000 0.924 552 R CB -0.333 29.978 30.300 0.019 0.000 0.827 552 R HN 0.285 nan 8.270 nan 0.000 0.431 553 K N 0.435 120.864 120.400 0.048 0.000 2.107 553 K HA -0.225 4.097 4.320 0.004 0.000 0.211 553 K C 1.851 178.523 176.600 0.120 0.000 1.049 553 K CA 1.783 58.128 56.287 0.095 0.000 0.927 553 K CB -0.436 32.187 32.500 0.205 0.000 0.714 553 K HN 0.279 nan 8.250 nan 0.000 0.452 554 A N 0.869 123.767 122.820 0.129 0.000 1.849 554 A HA -0.206 4.117 4.320 0.004 0.000 0.217 554 A C 2.410 180.028 177.584 0.057 0.000 1.202 554 A CA 2.931 55.028 52.037 0.099 0.000 0.629 554 A CB -1.076 17.927 19.000 0.005 0.000 0.834 554 A HN 0.413 nan 8.150 nan 0.000 0.447 555 A N -0.662 122.178 122.820 0.034 0.000 1.892 555 A HA -0.249 4.074 4.320 0.004 0.000 0.218 555 A C 2.178 179.783 177.584 0.035 0.000 1.188 555 A CA 2.278 54.338 52.037 0.038 0.000 0.631 555 A CB -0.563 18.471 19.000 0.056 0.000 0.822 555 A HN 0.464 nan 8.150 nan 0.000 0.447 556 K N -0.069 120.352 120.400 0.034 0.000 2.160 556 K HA -0.174 4.148 4.320 0.004 0.000 0.206 556 K C 2.123 178.732 176.600 0.016 0.000 1.047 556 K CA 1.445 57.745 56.287 0.022 0.000 0.930 556 K CB -0.453 32.055 32.500 0.014 0.000 0.720 556 K HN 0.428 nan 8.250 nan 0.000 0.450 557 A N 1.893 124.727 122.820 0.023 0.000 1.845 557 A HA -0.156 4.166 4.320 0.004 0.000 0.215 557 A C 2.008 179.603 177.584 0.019 0.000 1.195 557 A CA 1.570 53.620 52.037 0.021 0.000 0.616 557 A CB -0.556 18.467 19.000 0.038 0.000 0.832 557 A HN 0.291 nan 8.150 nan 0.000 0.443 558 I N 0.298 120.882 120.570 0.023 0.000 2.381 558 I HA -0.214 3.958 4.170 0.004 0.000 0.255 558 I C 2.281 178.406 176.117 0.013 0.000 1.140 558 I CA 1.341 62.651 61.300 0.017 0.000 1.404 558 I CB -1.687 36.324 38.000 0.018 0.000 1.075 558 I HN 0.161 nan 8.210 nan 0.000 0.433 559 V N 0.711 120.633 119.914 0.014 0.000 2.374 559 V HA 0.013 4.135 4.120 0.004 0.000 0.241 559 V C 2.493 178.591 176.094 0.006 0.000 1.034 559 V CA 1.328 63.634 62.300 0.010 0.000 1.037 559 V CB -0.978 30.852 31.823 0.012 0.000 0.682 559 V HN 0.416 nan 8.190 nan 0.000 0.463 560 A N 0.556 123.379 122.820 0.005 0.000 2.243 560 A HA -0.149 4.174 4.320 0.004 0.000 0.195 560 A C 1.970 179.555 177.584 0.002 0.000 1.405 560 A CA 1.418 53.456 52.037 0.002 0.000 0.651 560 A CB -0.995 18.005 19.000 -0.001 0.000 1.010 560 A HN 0.474 nan 8.150 nan 0.000 0.506 561 E N -1.101 119.099 120.200 0.001 0.000 2.236 561 E HA -0.252 4.101 4.350 0.004 0.000 0.205 561 E C 0.748 177.350 176.600 0.003 0.000 1.028 561 E CA 1.653 58.053 56.400 0.001 0.000 0.827 561 E CB -0.231 29.470 29.700 0.002 0.000 0.735 561 E HN 0.679 nan 8.360 nan 0.000 0.470 562 E N -1.769 118.434 120.200 0.006 0.000 4.067 562 E HA -0.299 4.053 4.350 0.004 0.000 0.346 562 E C -0.375 176.229 176.600 0.006 0.000 0.613 562 E CA 0.873 57.276 56.400 0.006 0.000 1.252 562 E CB -1.215 28.487 29.700 0.003 0.000 1.731 562 E HN 0.442 nan 8.360 nan 0.000 0.406 563 R N 1.810 122.314 120.500 0.007 0.000 2.560 563 R HA -0.095 4.248 4.340 0.004 0.000 0.296 563 R C 0.646 176.951 176.300 0.008 0.000 0.873 563 R CA 0.992 57.097 56.100 0.008 0.000 1.140 563 R CB 0.090 30.397 30.300 0.012 0.000 0.875 563 R HN 0.108 nan 8.270 nan 0.000 0.419 564 K N 1.949 122.352 120.400 0.004 0.000 2.555 564 K HA -0.061 4.261 4.320 0.004 0.000 0.193 564 K C 0.342 176.943 176.600 0.001 0.000 1.032 564 K CA 0.490 56.778 56.287 0.002 0.000 1.004 564 K CB 0.216 32.716 32.500 -0.000 0.000 0.804 564 K HN 0.562 nan 8.250 nan 0.000 0.496 565 R N 0.610 121.112 120.500 0.003 0.000 2.698 565 R HA 0.369 4.711 4.340 0.004 0.000 0.275 565 R C -1.720 174.586 176.300 0.009 0.000 1.001 565 R CA -0.532 55.568 56.100 0.000 0.000 0.896 565 R CB 1.278 31.575 30.300 -0.004 0.000 1.218 565 R HN 0.013 nan 8.270 nan 0.000 0.462 566 I N 2.503 123.075 120.570 0.002 0.000 2.534 566 I HA 0.197 4.369 4.170 0.004 0.000 0.286 566 I C -0.832 175.269 176.117 -0.027 0.000 1.094 566 I CA -0.545 60.767 61.300 0.019 0.000 1.055 566 I CB 2.695 40.718 38.000 0.039 0.000 1.225 566 I HN 0.539 nan 8.210 nan 0.000 0.435 567 T N 5.721 120.267 114.554 -0.013 0.000 2.893 567 T HA 0.228 4.581 4.350 0.004 0.000 0.324 567 T C -0.412 174.246 174.700 -0.070 0.000 1.082 567 T CA -0.273 61.796 62.100 -0.053 0.000 0.983 567 T CB 1.378 70.229 68.868 -0.028 0.000 1.005 567 T HN 0.340 nan 8.240 nan 0.000 0.475 568 V N 4.351 124.146 119.914 -0.198 0.000 2.498 568 V HA 0.735 4.857 4.120 0.004 0.000 0.279 568 V C 0.094 176.104 176.094 -0.140 0.000 1.048 568 V CA 0.405 62.546 62.300 -0.265 0.000 0.967 568 V CB 1.325 32.768 31.823 -0.635 0.000 0.988 568 V HN 0.829 nan 8.190 nan 0.000 0.473 569 T N 3.171 117.689 114.554 -0.059 0.000 2.858 569 T HA 0.381 4.733 4.350 0.004 0.000 0.285 569 T C 0.917 175.603 174.700 -0.023 0.000 1.052 569 T CA 0.124 62.202 62.100 -0.036 0.000 1.009 569 T CB 1.757 70.620 68.868 -0.009 0.000 1.241 569 T HN 0.885 nan 8.240 nan 0.000 0.542 570 E N 0.597 120.787 120.200 -0.017 0.000 2.401 570 E HA -0.072 4.280 4.350 0.004 0.000 0.199 570 E C 1.038 177.637 176.600 -0.003 0.000 1.023 570 E CA 0.708 57.101 56.400 -0.011 0.000 0.859 570 E CB 0.125 29.823 29.700 -0.005 0.000 0.780 570 E HN 0.226 nan 8.360 nan 0.000 0.523 571 K N 0.850 121.255 120.400 0.009 0.000 2.287 571 K HA 0.116 4.438 4.320 0.004 0.000 0.199 571 K C 1.447 178.071 176.600 0.040 0.000 1.061 571 K CA 0.518 56.815 56.287 0.016 0.000 0.976 571 K CB -0.287 32.221 32.500 0.013 0.000 0.898 571 K HN 0.131 nan 8.250 nan 0.000 0.492 572 N N 1.481 120.221 118.700 0.068 0.000 2.223 572 N HA -0.145 4.597 4.740 0.004 0.000 0.185 572 N C 1.583 177.213 175.510 0.199 0.000 1.016 572 N CA 0.387 53.528 53.050 0.151 0.000 0.863 572 N CB -0.107 38.521 38.487 0.236 0.000 0.983 572 N HN -0.086 nan 8.380 nan 0.000 0.429 573 L N 1.810 123.103 121.223 0.116 0.000 2.054 573 L HA -0.325 4.017 4.340 0.004 0.000 0.220 573 L C 1.905 178.862 176.870 0.144 0.000 1.081 573 L CA 1.814 56.709 54.840 0.092 0.000 0.780 573 L CB -0.679 41.365 42.059 -0.025 0.000 0.893 573 L HN 0.297 nan 8.230 nan 0.000 0.438 574 Q N -1.230 118.638 119.800 0.112 0.000 2.234 574 Q HA -0.193 4.149 4.340 0.004 0.000 0.206 574 Q C 0.906 176.935 176.000 0.049 0.000 0.980 574 Q CA 1.387 57.249 55.803 0.100 0.000 0.869 574 Q CB -0.307 28.467 28.738 0.060 0.000 0.912 574 Q HN 0.551 nan 8.270 nan 0.000 0.436 575 D N -0.919 119.489 120.400 0.013 0.000 2.323 575 D HA 0.037 4.679 4.640 0.004 0.000 0.239 575 D C 0.226 176.258 176.300 -0.446 0.000 1.129 575 D CA 0.540 54.427 54.000 -0.189 0.000 0.865 575 D CB 0.095 40.744 40.800 -0.250 0.000 0.913 575 D HN 0.223 nan 8.370 nan 0.000 0.517 576 F N -0.778 119.153 119.950 -0.032 0.000 2.244 576 F HA 0.215 4.745 4.527 0.004 0.000 0.272 576 F C 1.687 177.463 175.800 -0.039 0.000 0.882 576 F CA -0.229 57.742 58.000 -0.047 0.000 1.101 576 F CB 0.338 39.293 39.000 -0.076 0.000 1.097 576 F HN -0.155 nan 8.300 nan 0.000 0.762 577 I N -1.649 119.009 120.570 0.147 0.000 4.025 577 I HA 0.729 4.901 4.170 0.004 0.000 0.336 577 I C 0.716 176.948 176.117 0.191 0.000 1.390 577 I CA 0.293 61.652 61.300 0.100 0.000 1.099 577 I CB 0.074 38.042 38.000 -0.053 0.000 1.049 577 I HN 0.242 nan 8.210 nan 0.000 0.394 578 G N 2.565 111.461 108.800 0.160 0.000 2.500 578 G HA2 -0.164 3.799 3.960 0.004 0.000 0.209 578 G HA3 -0.164 3.799 3.960 0.004 0.000 0.209 578 G C -0.753 174.249 174.900 0.171 0.000 1.283 578 G CA -0.309 44.870 45.100 0.132 0.000 0.960 578 G HN 0.504 nan 8.290 nan 0.000 0.528 579 K N 0.580 121.019 120.400 0.065 0.000 2.148 579 K HA 0.804 5.126 4.320 0.004 0.000 0.239 579 K C 0.746 177.237 176.600 -0.181 0.000 1.018 579 K CA -0.909 55.374 56.287 -0.006 0.000 0.923 579 K CB 0.433 32.905 32.500 -0.046 0.000 1.117 579 K HN 0.584 nan 8.250 nan 0.000 0.477 580 R N 0.427 120.776 120.500 -0.252 0.000 2.756 580 R HA 0.081 4.423 4.340 0.004 0.000 0.264 580 R C 0.659 176.657 176.300 -0.504 0.000 1.026 580 R CA 0.280 56.081 56.100 -0.500 0.000 1.121 580 R CB -0.071 30.101 30.300 -0.214 0.000 0.999 580 R HN 0.784 nan 8.270 nan 0.000 0.449 581 I N -0.107 120.077 120.570 -0.643 0.000 4.197 581 I HA 0.118 4.290 4.170 0.004 0.000 0.307 581 I C -0.179 175.524 176.117 -0.691 0.000 1.236 581 I CA 0.305 61.192 61.300 -0.689 0.000 1.321 581 I CB 0.460 37.933 38.000 -0.878 0.000 1.309 581 I HN 0.253 nan 8.210 nan 0.000 0.450 582 F N 0.707 120.608 119.950 -0.082 0.000 2.538 582 F HA 0.527 5.056 4.527 0.004 0.000 0.325 582 F C 0.356 176.168 175.800 0.019 0.000 1.066 582 F CA -0.845 57.137 58.000 -0.031 0.000 0.946 582 F CB 0.839 39.812 39.000 -0.045 0.000 1.199 582 F HN -0.330 nan 8.300 nan 0.000 0.473 583 R N 0.448 121.077 120.500 0.215 0.000 2.528 583 R HA 0.394 4.736 4.340 0.004 0.000 0.271 583 R C -1.608 174.775 176.300 0.138 0.000 1.056 583 R CA -0.755 55.446 56.100 0.167 0.000 1.117 583 R CB 1.083 31.450 30.300 0.111 0.000 1.085 583 R HN 0.785 nan 8.270 nan 0.000 0.530 584 Y N 0.758 121.004 120.300 -0.089 0.000 2.327 584 Y HA 0.404 4.962 4.550 0.013 0.000 0.325 584 Y C 0.179 176.025 175.900 -0.090 0.000 0.999 584 Y CA 0.254 58.242 58.100 -0.188 0.000 1.195 584 Y CB 1.296 39.482 38.460 -0.456 0.000 1.132 584 Y HN 0.925 nan 8.280 nan 0.000 0.455 585 G N 4.320 112.930 108.800 -0.317 0.000 2.615 585 G HA2 -0.203 3.759 3.960 0.004 0.000 0.218 585 G HA3 -0.203 3.759 3.960 0.004 0.000 0.218 585 G C -0.583 174.233 174.900 -0.139 0.000 1.339 585 G CA -0.215 44.690 45.100 -0.326 0.000 0.884 585 G HN 0.570 nan 8.290 nan 0.000 0.559 586 Q N -0.683 119.043 119.800 -0.123 0.000 2.186 586 Q HA 0.549 4.891 4.340 0.004 0.000 0.241 586 Q C 1.640 177.614 176.000 -0.042 0.000 0.849 586 Q CA 0.738 56.500 55.803 -0.069 0.000 1.053 586 Q CB 0.574 29.270 28.738 -0.070 0.000 1.146 586 Q HN 1.321 nan 8.270 nan 0.000 0.475 587 A N 0.120 122.922 122.820 -0.030 0.000 2.235 587 A HA 0.005 4.328 4.320 0.004 0.000 0.208 587 A C 1.328 178.913 177.584 0.003 0.000 1.172 587 A CA 0.780 52.814 52.037 -0.006 0.000 0.786 587 A CB 0.221 19.230 19.000 0.015 0.000 0.804 587 A HN 0.311 nan 8.150 nan 0.000 0.479 588 E N -1.208 118.992 120.200 0.000 0.000 3.203 588 E HA 0.056 4.408 4.350 0.004 0.000 0.200 588 E C 0.705 177.305 176.600 -0.001 0.000 1.089 588 E CA 0.381 56.784 56.400 0.005 0.000 1.430 588 E CB -0.007 29.704 29.700 0.017 0.000 1.328 588 E HN 0.471 nan 8.360 nan 0.000 0.580 589 T N 0.311 114.863 114.554 -0.005 0.000 2.856 589 T HA 0.167 4.519 4.350 0.004 0.000 0.329 589 T C 0.023 174.718 174.700 -0.009 0.000 1.094 589 T CA 0.092 62.188 62.100 -0.007 0.000 1.112 589 T CB 0.845 69.706 68.868 -0.012 0.000 1.009 589 T HN -0.064 nan 8.240 nan 0.000 0.550 590 E N 0.731 120.927 120.200 -0.007 0.000 2.321 590 E HA 0.339 4.691 4.350 0.004 0.000 0.281 590 E C -1.349 175.247 176.600 -0.007 0.000 0.910 590 E CA -0.635 55.761 56.400 -0.008 0.000 0.770 590 E CB 1.474 31.170 29.700 -0.006 0.000 1.225 590 E HN 0.826 nan 8.360 nan 0.000 0.417 591 D N 1.914 122.309 120.400 -0.008 0.000 2.667 591 D HA -0.004 4.638 4.640 0.004 0.000 0.226 591 D C -0.048 176.249 176.300 -0.005 0.000 1.137 591 D CA 1.111 55.107 54.000 -0.007 0.000 0.855 591 D CB 0.483 41.279 40.800 -0.008 0.000 1.194 591 D HN 0.197 nan 8.370 nan 0.000 0.492 592 Q N 0.048 119.846 119.800 -0.003 0.000 2.814 592 Q HA 0.705 5.048 4.340 0.004 0.000 0.283 592 Q C -1.433 174.566 176.000 -0.001 0.000 1.071 592 Q CA -0.939 54.863 55.803 -0.001 0.000 0.849 592 Q CB 2.022 30.761 28.738 0.002 0.000 1.437 592 Q HN 0.337 nan 8.270 nan 0.000 0.492 593 V N 0.398 120.312 119.914 -0.001 0.000 2.555 593 V HA 0.606 4.728 4.120 0.004 0.000 0.302 593 V C 0.516 176.610 176.094 -0.000 0.000 1.038 593 V CA -0.297 62.001 62.300 -0.003 0.000 0.887 593 V CB 1.170 32.989 31.823 -0.007 0.000 0.991 593 V HN 0.960 nan 8.190 nan 0.000 0.434 594 G N 3.089 111.888 108.800 -0.001 0.000 2.379 594 G HA2 -0.166 3.797 3.960 0.004 0.000 0.297 594 G HA3 -0.166 3.797 3.960 0.004 0.000 0.297 594 G C -0.137 174.772 174.900 0.015 0.000 1.004 594 G CA 0.664 45.767 45.100 0.004 0.000 0.921 594 G HN 1.029 nan 8.290 nan 0.000 0.511 595 V N -0.287 119.634 119.914 0.013 0.000 2.555 595 V HA 0.431 4.553 4.120 0.004 0.000 0.283 595 V C 0.100 176.200 176.094 0.009 0.000 1.020 595 V CA -0.728 61.581 62.300 0.016 0.000 0.883 595 V CB 1.865 33.698 31.823 0.017 0.000 1.030 595 V HN 0.345 nan 8.190 nan 0.000 0.448 596 V N 2.739 122.658 119.914 0.008 0.000 2.732 596 V HA 0.591 4.713 4.120 0.004 0.000 0.310 596 V C 0.388 176.481 176.094 -0.002 0.000 1.053 596 V CA -0.571 61.731 62.300 0.003 0.000 0.957 596 V CB 2.242 34.068 31.823 0.005 0.000 1.018 596 V HN 0.791 nan 8.190 nan 0.000 0.452 597 T N 2.487 117.038 114.554 -0.005 0.000 2.929 597 T HA 0.496 4.848 4.350 0.004 0.000 0.331 597 T C 0.381 175.076 174.700 -0.008 0.000 1.120 597 T CA -0.267 61.827 62.100 -0.009 0.000 0.973 597 T CB 0.707 69.569 68.868 -0.011 0.000 1.036 597 T HN 0.997 nan 8.240 nan 0.000 0.502 598 G N 3.260 112.055 108.800 -0.009 0.000 2.372 598 G HA2 0.521 4.483 3.960 0.004 0.000 0.283 598 G HA3 0.521 4.483 3.960 0.004 0.000 0.283 598 G C -0.326 174.573 174.900 -0.001 0.000 1.177 598 G CA -0.736 44.361 45.100 -0.004 0.000 0.842 598 G HN 0.528 nan 8.290 nan 0.000 0.503 599 L N 1.586 122.815 121.223 0.010 0.000 2.313 599 L HA 0.558 4.900 4.340 0.004 0.000 0.282 599 L C 0.711 177.601 176.870 0.033 0.000 1.092 599 L CA -0.581 54.270 54.840 0.019 0.000 0.831 599 L CB 0.050 42.129 42.059 0.032 0.000 1.159 599 L HN 0.615 nan 8.230 nan 0.000 0.442 600 A N 3.761 126.600 122.820 0.031 0.000 2.384 600 A HA 0.547 4.870 4.320 0.004 0.000 0.312 600 A C -1.308 176.327 177.584 0.085 0.000 1.113 600 A CA -0.526 51.544 52.037 0.056 0.000 0.779 600 A CB 1.062 20.079 19.000 0.029 0.000 1.307 600 A HN 0.550 nan 8.150 nan 0.000 0.436 601 Y N 1.984 122.277 120.300 -0.012 0.000 2.751 601 Y HA 0.388 4.939 4.550 0.002 0.000 0.333 601 Y C 0.328 176.220 175.900 -0.014 0.000 1.122 601 Y CA -0.005 58.087 58.100 -0.012 0.000 1.367 601 Y CB 0.069 38.522 38.460 -0.012 0.000 1.242 601 Y HN 0.617 nan 8.280 nan 0.000 0.505 602 T N 2.339 116.822 114.554 -0.119 0.000 2.918 602 T HA -0.021 4.331 4.350 0.004 0.000 0.302 602 T C 1.597 176.193 174.700 -0.173 0.000 1.045 602 T CA 0.500 62.546 62.100 -0.089 0.000 1.114 602 T CB 1.154 69.967 68.868 -0.092 0.000 0.965 602 T HN 0.755 nan 8.240 nan 0.000 0.540 603 T N -0.565 113.965 114.554 -0.040 0.000 2.932 603 T HA -0.160 4.193 4.350 0.004 0.000 0.269 603 T C 1.209 175.851 174.700 -0.096 0.000 1.131 603 T CA 1.544 63.626 62.100 -0.029 0.000 1.107 603 T CB -0.573 68.302 68.868 0.011 0.000 0.824 603 T HN 0.600 nan 8.240 nan 0.000 0.552 604 V N -2.897 116.938 119.914 -0.131 0.000 2.991 604 V HA 0.783 4.905 4.120 0.004 0.000 0.355 604 V C 0.642 176.635 176.094 -0.168 0.000 1.384 604 V CA -0.032 62.195 62.300 -0.122 0.000 1.171 604 V CB -0.508 31.271 31.823 -0.073 0.000 1.190 604 V HN 0.949 nan 8.190 nan 0.000 0.540 605 G N -0.218 108.413 108.800 -0.281 0.000 2.362 605 G HA2 0.323 4.285 3.960 0.004 0.000 0.517 605 G HA3 0.323 4.285 3.960 0.004 0.000 0.517 605 G C 0.093 174.821 174.900 -0.287 0.000 1.256 605 G CA -0.191 44.732 45.100 -0.296 0.000 1.027 605 G HN 1.439 nan 8.290 nan 0.000 0.491 606 G N -0.251 108.436 108.800 -0.188 0.000 2.406 606 G HA2 0.509 4.471 3.960 0.004 0.000 0.251 606 G HA3 0.509 4.471 3.960 0.004 0.000 0.251 606 G C -0.599 174.247 174.900 -0.090 0.000 1.271 606 G CA 1.074 46.107 45.100 -0.111 0.000 0.859 606 G HN 0.731 nan 8.290 nan 0.000 0.540 607 D N -0.807 119.555 120.400 -0.063 0.000 2.559 607 D HA 0.595 5.237 4.640 0.004 0.000 0.250 607 D C -0.259 176.022 176.300 -0.032 0.000 1.135 607 D CA -0.462 53.506 54.000 -0.054 0.000 0.955 607 D CB 1.850 42.616 40.800 -0.056 0.000 1.442 607 D HN 0.295 nan 8.370 nan 0.000 0.471 608 T N 0.431 114.966 114.554 -0.031 0.000 3.401 608 T HA 0.455 4.807 4.350 0.004 0.000 0.341 608 T C 0.162 174.849 174.700 -0.022 0.000 1.674 608 T CA -0.610 61.476 62.100 -0.023 0.000 1.600 608 T CB -0.534 68.320 68.868 -0.024 0.000 0.974 608 T HN 0.158 nan 8.240 nan 0.000 0.672 609 L N 1.466 122.674 121.223 -0.025 0.000 2.349 609 L HA 0.523 4.865 4.340 0.004 0.000 0.275 609 L C 0.314 177.161 176.870 -0.039 0.000 1.115 609 L CA -0.620 54.198 54.840 -0.037 0.000 0.820 609 L CB 0.785 42.816 42.059 -0.048 0.000 1.135 609 L HN 0.386 nan 8.230 nan 0.000 0.445 610 S N 3.749 119.423 115.700 -0.043 0.000 2.437 610 S HA 0.565 5.038 4.470 0.004 0.000 0.305 610 S C -0.102 174.465 174.600 -0.055 0.000 1.109 610 S CA -0.581 57.600 58.200 -0.031 0.000 1.099 610 S CB 1.186 64.382 63.200 -0.007 0.000 1.004 610 S HN 0.341 nan 8.310 nan 0.000 0.475 611 I N 3.032 123.579 120.570 -0.039 0.000 2.428 611 I HA 0.304 4.477 4.170 0.004 0.000 0.289 611 I C 0.405 176.535 176.117 0.021 0.000 1.019 611 I CA -0.216 61.065 61.300 -0.032 0.000 1.351 611 I CB 0.884 38.874 38.000 -0.017 0.000 1.412 611 I HN 0.578 nan 8.210 nan 0.000 0.513 612 E N 4.799 125.039 120.200 0.067 0.000 2.277 612 E HA 0.690 5.042 4.350 0.004 0.000 0.266 612 E C -1.460 175.198 176.600 0.096 0.000 0.901 612 E CA -0.855 55.596 56.400 0.086 0.000 0.782 612 E CB 3.044 32.813 29.700 0.115 0.000 1.228 612 E HN 0.240 nan 8.360 nan 0.000 0.424 613 V N 0.826 120.784 119.914 0.072 0.000 2.709 613 V HA 0.522 4.644 4.120 0.004 0.000 0.308 613 V C -0.605 175.525 176.094 0.059 0.000 1.062 613 V CA -0.778 61.569 62.300 0.079 0.000 0.901 613 V CB 1.858 33.720 31.823 0.066 0.000 1.003 613 V HN 0.610 nan 8.190 nan 0.000 0.425 614 S N 3.623 119.377 115.700 0.091 0.000 2.542 614 S HA 0.814 5.287 4.470 0.004 0.000 0.293 614 S C -1.159 173.479 174.600 0.064 0.000 1.089 614 S CA -0.566 57.672 58.200 0.064 0.000 0.961 614 S CB 1.293 64.529 63.200 0.060 0.000 1.062 614 S HN 0.628 nan 8.310 nan 0.000 0.483 615 L N 3.429 124.632 121.223 -0.034 0.000 2.294 615 L HA 0.571 4.913 4.340 0.004 0.000 0.283 615 L C -0.168 176.640 176.870 -0.102 0.000 1.015 615 L CA -0.426 54.320 54.840 -0.157 0.000 0.831 615 L CB 1.662 43.480 42.059 -0.402 0.000 1.217 615 L HN 0.598 nan 8.230 nan 0.000 0.420 616 S N 4.720 120.423 115.700 0.004 0.000 2.521 616 S HA 0.652 5.125 4.470 0.004 0.000 0.295 616 S C -2.594 172.085 174.600 0.131 0.000 1.098 616 S CA -1.510 56.734 58.200 0.074 0.000 0.999 616 S CB 1.942 65.237 63.200 0.157 0.000 1.034 616 S HN 0.191 nan 8.310 nan 0.000 0.483 617 P HA 0.386 nan 4.420 nan 0.000 0.267 617 P C 0.620 178.026 177.300 0.176 0.000 1.195 617 P CA 0.757 64.004 63.100 0.245 0.000 0.773 617 P CB 0.354 32.156 31.700 0.169 0.000 0.837 618 G N 0.435 109.331 108.800 0.160 0.000 2.384 618 G HA2 0.042 4.004 3.960 0.004 0.000 0.113 618 G HA3 0.042 4.004 3.960 0.004 0.000 0.113 618 G C -1.317 173.636 174.900 0.088 0.000 1.224 618 G CA -0.473 44.690 45.100 0.105 0.000 1.126 618 G HN 0.575 nan 8.290 nan 0.000 0.461 619 K N -0.196 120.250 120.400 0.077 0.000 2.295 619 K HA 0.560 4.882 4.320 0.004 0.000 0.239 619 K C 1.437 178.092 176.600 0.092 0.000 0.991 619 K CA -0.117 56.208 56.287 0.064 0.000 0.845 619 K CB 1.727 34.251 32.500 0.040 0.000 1.197 619 K HN 0.666 nan 8.250 nan 0.000 0.441 620 G N 1.135 109.999 108.800 0.106 0.000 2.516 620 G HA2 -0.222 3.741 3.960 0.004 0.000 0.221 620 G HA3 -0.222 3.741 3.960 0.004 0.000 0.221 620 G C 0.551 175.495 174.900 0.072 0.000 1.107 620 G CA 0.782 45.987 45.100 0.176 0.000 0.747 620 G HN 0.445 nan 8.290 nan 0.000 0.567 621 K N 0.440 120.842 120.400 0.003 0.000 2.518 621 K HA 0.220 4.543 4.320 0.004 0.000 0.276 621 K C 0.058 176.580 176.600 -0.130 0.000 0.974 621 K CA 0.053 56.294 56.287 -0.077 0.000 0.986 621 K CB 0.167 32.639 32.500 -0.047 0.000 0.901 621 K HN 0.270 nan 8.250 nan 0.000 0.497 622 L N 3.588 124.684 121.223 -0.210 0.000 2.406 622 L HA 0.602 4.945 4.340 0.004 0.000 0.272 622 L C -1.004 175.767 176.870 -0.166 0.000 0.980 622 L CA -0.918 53.789 54.840 -0.223 0.000 0.831 622 L CB 1.441 43.312 42.059 -0.314 0.000 1.253 622 L HN 0.677 nan 8.230 nan 0.000 0.406 623 I N 5.188 125.659 120.570 -0.165 0.000 2.404 623 I HA 0.520 4.692 4.170 0.004 0.000 0.293 623 I C -1.108 175.023 176.117 0.024 0.000 0.992 623 I CA -0.923 60.346 61.300 -0.053 0.000 1.149 623 I CB 1.673 39.676 38.000 0.004 0.000 1.315 623 I HN 0.727 nan 8.210 nan 0.000 0.446 624 L N 5.446 126.696 121.223 0.045 0.000 2.330 624 L HA 0.781 5.123 4.340 0.004 0.000 0.271 624 L C 0.253 177.182 176.870 0.099 0.000 1.013 624 L CA -0.426 54.465 54.840 0.085 0.000 0.816 624 L CB 1.055 43.150 42.059 0.060 0.000 1.287 624 L HN 0.628 nan 8.230 nan 0.000 0.435 625 T N -2.096 112.538 114.554 0.134 0.000 2.844 625 T HA 0.910 5.262 4.350 0.004 0.000 0.274 625 T C 0.522 175.343 174.700 0.202 0.000 0.991 625 T CA -0.049 62.126 62.100 0.123 0.000 0.983 625 T CB 1.089 69.982 68.868 0.042 0.000 1.310 625 T HN 1.912 nan 8.240 nan 0.000 0.596 626 G N 1.262 110.178 108.800 0.194 0.000 2.512 626 G HA2 -0.190 3.773 3.960 0.004 0.000 0.254 626 G HA3 -0.190 3.773 3.960 0.004 0.000 0.254 626 G C -0.343 174.621 174.900 0.107 0.000 1.199 626 G CA 0.089 45.319 45.100 0.217 0.000 0.941 626 G HN 1.384 nan 8.290 nan 0.000 0.569 627 K N 1.378 121.822 120.400 0.075 0.000 2.491 627 K HA 0.360 4.682 4.320 0.004 0.000 0.279 627 K C 1.660 178.286 176.600 0.043 0.000 1.026 627 K CA 0.281 56.596 56.287 0.046 0.000 1.070 627 K CB 0.502 33.019 32.500 0.029 0.000 0.887 627 K HN 0.533 nan 8.250 nan 0.000 0.481 628 L N 2.753 123.997 121.223 0.035 0.000 2.089 628 L HA -0.183 4.160 4.340 0.004 0.000 0.213 628 L C 1.219 178.104 176.870 0.024 0.000 1.079 628 L CA 1.228 56.085 54.840 0.029 0.000 0.758 628 L CB -1.541 40.532 42.059 0.023 0.000 0.891 628 L HN 1.172 nan 8.230 nan 0.000 0.433 629 G N 0.904 109.717 108.800 0.021 0.000 2.438 629 G HA2 -0.298 3.664 3.960 0.004 0.000 0.191 629 G HA3 -0.298 3.664 3.960 0.004 0.000 0.191 629 G C 0.185 175.092 174.900 0.012 0.000 0.240 629 G CA 0.700 45.810 45.100 0.017 0.000 1.036 629 G HN 0.382 nan 8.290 nan 0.000 0.458 630 D N 0.825 121.231 120.400 0.009 0.000 2.305 630 D HA 0.048 4.690 4.640 0.004 0.000 0.206 630 D C 2.509 178.811 176.300 0.005 0.000 0.974 630 D CA 0.817 54.820 54.000 0.005 0.000 0.871 630 D CB 0.299 41.101 40.800 0.004 0.000 0.947 630 D HN 0.310 nan 8.370 nan 0.000 0.516 631 V N 0.635 120.552 119.914 0.006 0.000 2.515 631 V HA -0.178 3.944 4.120 0.004 0.000 0.250 631 V C 2.358 178.456 176.094 0.006 0.000 1.058 631 V CA 0.997 63.300 62.300 0.005 0.000 1.064 631 V CB -0.303 31.522 31.823 0.004 0.000 0.675 631 V HN 0.297 nan 8.190 nan 0.000 0.461 632 M N -0.474 119.131 119.600 0.009 0.000 2.123 632 M HA -0.089 4.393 4.480 0.004 0.000 0.263 632 M C 2.322 178.629 176.300 0.011 0.000 1.069 632 M CA 1.564 56.871 55.300 0.011 0.000 1.133 632 M CB -1.174 31.435 32.600 0.014 0.000 1.356 632 M HN 0.241 nan 8.290 nan 0.000 0.415 633 R N 0.559 121.062 120.500 0.005 0.000 2.112 633 R HA -0.256 4.086 4.340 0.004 0.000 0.242 633 R C 2.070 178.370 176.300 0.001 0.000 1.137 633 R CA 2.416 58.513 56.100 -0.005 0.000 0.944 633 R CB -0.336 29.956 30.300 -0.014 0.000 0.857 633 R HN 0.458 nan 8.270 nan 0.000 0.435 634 E N -0.369 119.835 120.200 0.006 0.000 2.048 634 E HA -0.258 4.095 4.350 0.004 0.000 0.202 634 E C 1.934 178.550 176.600 0.026 0.000 1.021 634 E CA 2.139 58.547 56.400 0.013 0.000 0.825 634 E CB -0.252 29.455 29.700 0.011 0.000 0.756 634 E HN 0.260 nan 8.360 nan 0.000 0.454 635 S N -0.590 115.125 115.700 0.024 0.000 2.348 635 S HA -0.182 4.290 4.470 0.004 0.000 0.221 635 S C 1.879 176.512 174.600 0.054 0.000 1.033 635 S CA 1.156 59.376 58.200 0.033 0.000 1.010 635 S CB -0.517 62.696 63.200 0.021 0.000 0.891 635 S HN 0.514 nan 8.310 nan 0.000 0.442 636 A N 1.052 123.900 122.820 0.047 0.000 1.852 636 A HA -0.234 4.088 4.320 0.004 0.000 0.217 636 A C 1.814 179.464 177.584 0.109 0.000 1.215 636 A CA 1.894 53.972 52.037 0.067 0.000 0.641 636 A CB -1.016 18.004 19.000 0.033 0.000 0.838 636 A HN 0.635 nan 8.150 nan 0.000 0.450 637 Q N -0.488 119.344 119.800 0.052 0.000 2.294 637 Q HA 0.238 4.580 4.340 0.004 0.000 0.207 637 Q C 0.824 176.927 176.000 0.172 0.000 0.887 637 Q CA 0.373 56.218 55.803 0.071 0.000 0.987 637 Q CB -0.333 28.379 28.738 -0.043 0.000 1.101 637 Q HN 0.636 nan 8.270 nan 0.000 0.447 638 A N -1.179 121.754 122.820 0.188 0.000 1.780 638 A HA 0.340 4.663 4.320 0.004 0.000 0.208 638 A C 1.804 179.509 177.584 0.201 0.000 1.761 638 A CA 0.551 52.689 52.037 0.168 0.000 1.183 638 A CB -0.548 18.513 19.000 0.102 0.000 1.162 638 A HN 0.419 nan 8.150 nan 0.000 0.472 639 A N -0.581 122.345 122.820 0.177 0.000 1.933 639 A HA 0.005 4.328 4.320 0.004 0.000 0.218 639 A C 1.933 179.678 177.584 0.268 0.000 1.175 639 A CA 1.698 53.837 52.037 0.170 0.000 0.628 639 A CB -0.744 18.325 19.000 0.115 0.000 0.814 639 A HN 0.729 nan 8.150 nan 0.000 0.444 640 F N 1.399 121.430 119.950 0.136 0.000 2.051 640 F HA -0.144 4.385 4.527 0.003 0.000 0.296 640 F C 2.355 178.245 175.800 0.151 0.000 1.122 640 F CA 2.103 60.198 58.000 0.158 0.000 1.201 640 F CB -0.348 38.720 39.000 0.114 0.000 0.978 640 F HN 0.165 nan 8.300 nan 0.000 0.472 641 S N -0.708 115.187 115.700 0.325 0.000 2.584 641 S HA -0.157 4.315 4.470 0.004 0.000 0.240 641 S C 1.265 175.921 174.600 0.093 0.000 0.975 641 S CA 0.747 59.040 58.200 0.155 0.000 0.949 641 S CB -0.814 62.492 63.200 0.176 0.000 0.761 641 S HN 0.631 nan 8.310 nan 0.000 0.536 642 Y N 1.878 122.190 120.300 0.020 0.000 2.186 642 Y HA -0.013 4.540 4.550 0.005 0.000 0.286 642 Y C 2.121 178.019 175.900 -0.004 0.000 1.109 642 Y CA 0.866 58.976 58.100 0.017 0.000 1.099 642 Y CB -0.664 37.820 38.460 0.040 0.000 1.030 642 Y HN 0.015 nan 8.280 nan 0.000 0.495 643 V N 2.034 122.020 119.914 0.120 0.000 2.439 643 V HA -0.374 3.749 4.120 0.004 0.000 0.253 643 V C 2.546 178.615 176.094 -0.042 0.000 1.074 643 V CA 2.041 64.359 62.300 0.030 0.000 1.076 643 V CB -0.831 31.069 31.823 0.127 0.000 0.664 643 V HN 0.383 nan 8.190 nan 0.000 0.461 644 R N 0.860 121.265 120.500 -0.158 0.000 2.113 644 R HA -0.181 4.161 4.340 0.004 0.000 0.244 644 R C 2.446 178.645 176.300 -0.169 0.000 1.142 644 R CA 2.174 58.125 56.100 -0.250 0.000 0.953 644 R CB -0.869 29.237 30.300 -0.324 0.000 0.860 644 R HN 0.796 nan 8.270 nan 0.000 0.438 645 S N 0.708 116.285 115.700 -0.205 0.000 2.272 645 S HA -0.023 4.449 4.470 0.004 0.000 0.161 645 S C 0.319 174.797 174.600 -0.205 0.000 1.293 645 S CA -0.114 57.966 58.200 -0.201 0.000 2.027 645 S CB -0.397 62.662 63.200 -0.235 0.000 0.565 645 S HN -0.014 nan 8.310 nan 0.000 0.364 646 K N 2.568 122.778 120.400 -0.316 0.000 2.049 646 K HA 0.108 4.430 4.320 0.004 0.000 0.246 646 K C 0.560 177.082 176.600 -0.131 0.000 1.240 646 K CA 0.556 56.705 56.287 -0.231 0.000 1.305 646 K CB -0.965 31.349 32.500 -0.310 0.000 0.861 646 K HN 0.497 nan 8.250 nan 0.000 0.407 647 T N 1.087 115.610 114.554 -0.052 0.000 3.587 647 T HA -0.074 4.278 4.350 0.004 0.000 0.221 647 T C 1.460 176.172 174.700 0.020 0.000 0.921 647 T CA 0.307 62.416 62.100 0.015 0.000 1.426 647 T CB -0.099 68.805 68.868 0.060 0.000 1.340 647 T HN 0.701 nan 8.240 nan 0.000 0.423 648 E N 1.897 122.108 120.200 0.018 0.000 2.171 648 E HA -0.257 4.095 4.350 0.004 0.000 0.197 648 E C 1.828 178.433 176.600 0.008 0.000 0.997 648 E CA 1.583 57.991 56.400 0.014 0.000 0.810 648 E CB -0.338 29.367 29.700 0.008 0.000 0.738 648 E HN 0.582 nan 8.360 nan 0.000 0.467 649 E N -0.030 120.170 120.200 0.001 0.000 2.396 649 E HA -0.156 4.197 4.350 0.004 0.000 0.200 649 E C 1.373 177.982 176.600 0.014 0.000 1.023 649 E CA 0.587 56.988 56.400 0.002 0.000 0.857 649 E CB 0.145 29.840 29.700 -0.009 0.000 0.775 649 E HN 0.325 nan 8.360 nan 0.000 0.525 650 L N -1.183 120.050 121.223 0.017 0.000 2.878 650 L HA 0.339 4.682 4.340 0.004 0.000 0.253 650 L C 0.347 177.228 176.870 0.017 0.000 1.135 650 L CA 1.088 55.945 54.840 0.028 0.000 0.943 650 L CB 1.212 43.297 42.059 0.043 0.000 1.307 650 L HN 0.059 nan 8.230 nan 0.000 0.545 651 G N 1.841 110.649 108.800 0.013 0.000 2.799 651 G HA2 -0.082 3.880 3.960 0.004 0.000 0.271 651 G HA3 -0.082 3.880 3.960 0.004 0.000 0.271 651 G C -0.673 174.229 174.900 0.003 0.000 1.067 651 G CA 0.279 45.384 45.100 0.009 0.000 1.251 651 G HN 0.593 nan 8.290 nan 0.000 0.560 652 I N -0.558 120.019 120.570 0.012 0.000 2.739 652 I HA 0.391 4.564 4.170 0.004 0.000 0.287 652 I C -0.085 176.065 176.117 0.056 0.000 1.558 652 I CA -1.260 60.044 61.300 0.007 0.000 1.050 652 I CB 1.252 39.219 38.000 -0.055 0.000 1.432 652 I HN 0.562 nan 8.210 nan 0.000 0.432 653 E N 7.965 128.202 120.200 0.063 0.000 2.406 653 E HA 0.123 4.475 4.350 0.004 0.000 0.247 653 E C -2.034 174.646 176.600 0.133 0.000 1.160 653 E CA -1.214 55.227 56.400 0.069 0.000 0.950 653 E CB -0.065 29.654 29.700 0.031 0.000 0.993 653 E HN 0.426 nan 8.360 nan 0.000 0.472 654 P HA -0.189 nan 4.420 nan 0.000 0.222 654 P C 0.387 177.671 177.300 -0.026 0.000 1.142 654 P CA 1.179 64.334 63.100 0.092 0.000 0.788 654 P CB 0.116 31.836 31.700 0.032 0.000 0.767 655 D N -1.596 118.769 120.400 -0.058 0.000 2.663 655 D HA -0.008 4.634 4.640 0.004 0.000 0.243 655 D C 0.918 177.095 176.300 -0.206 0.000 1.218 655 D CA -0.219 53.677 54.000 -0.174 0.000 0.846 655 D CB -0.887 39.832 40.800 -0.135 0.000 1.014 655 D HN 0.173 nan 8.370 nan 0.000 0.476 656 F N -0.522 119.279 119.950 -0.248 0.000 2.390 656 F HA 0.103 4.633 4.527 0.005 0.000 0.281 656 F C 2.018 177.768 175.800 -0.084 0.000 1.016 656 F CA 0.394 58.272 58.000 -0.203 0.000 1.286 656 F CB -0.736 38.265 39.000 0.001 0.000 1.134 656 F HN 0.055 nan 8.300 nan 0.000 0.597 657 H N -0.439 117.859 119.070 -1.287 0.000 2.557 657 H HA 0.017 4.575 4.556 0.003 0.000 0.287 657 H C 1.559 176.759 175.328 -0.214 0.000 1.043 657 H CA 1.586 57.200 56.048 -0.723 0.000 1.226 657 H CB -0.758 28.496 29.762 -0.847 0.000 1.361 657 H HN 0.641 nan 8.280 nan 0.000 0.592 658 E N 0.052 119.931 120.200 -0.535 0.000 2.251 658 E HA 0.050 4.402 4.350 0.004 0.000 0.194 658 E C 0.424 176.942 176.600 -0.137 0.000 0.964 658 E CA 0.148 56.360 56.400 -0.314 0.000 0.868 658 E CB 0.495 29.951 29.700 -0.407 0.000 0.828 658 E HN 0.171 nan 8.360 nan 0.000 0.481 659 K N 0.017 120.333 120.400 -0.141 0.000 3.165 659 K HA 0.245 4.567 4.320 0.004 0.000 0.206 659 K C -1.380 175.211 176.600 -0.015 0.000 1.123 659 K CA -0.073 56.160 56.287 -0.090 0.000 0.978 659 K CB 0.756 33.161 32.500 -0.157 0.000 0.749 659 K HN 0.114 nan 8.250 nan 0.000 0.454 660 Y N -0.895 119.473 120.300 0.113 0.000 2.655 660 Y HA 0.316 4.868 4.550 0.004 0.000 0.336 660 Y C -0.815 175.170 175.900 0.141 0.000 1.154 660 Y CA -1.212 56.981 58.100 0.154 0.000 1.055 660 Y CB 2.609 41.223 38.460 0.256 0.000 1.295 660 Y HN -0.088 nan 8.280 nan 0.000 0.465 661 D N 2.386 122.945 120.400 0.265 0.000 2.686 661 D HA 0.290 4.932 4.640 0.004 0.000 0.249 661 D C -1.093 175.195 176.300 -0.019 0.000 1.260 661 D CA -0.275 53.780 54.000 0.092 0.000 0.910 661 D CB 1.610 42.428 40.800 0.030 0.000 1.323 661 D HN 0.531 nan 8.370 nan 0.000 0.561 662 I N 0.663 121.222 120.570 -0.018 0.000 2.331 662 I HA 0.464 4.636 4.170 0.004 0.000 0.292 662 I C -0.757 175.255 176.117 -0.175 0.000 0.998 662 I CA -0.385 60.908 61.300 -0.011 0.000 1.267 662 I CB 1.247 39.354 38.000 0.180 0.000 1.386 662 I HN 0.162 nan 8.210 nan 0.000 0.476 663 H N 7.475 126.574 119.070 0.049 0.000 2.476 663 H HA 0.586 5.144 4.556 0.003 0.000 0.328 663 H C -0.547 174.813 175.328 0.053 0.000 1.073 663 H CA -0.438 55.633 56.048 0.038 0.000 1.229 663 H CB 2.289 32.062 29.762 0.018 0.000 1.432 663 H HN 0.593 nan 8.280 nan 0.000 0.477 664 I N 2.560 123.231 120.570 0.167 0.000 2.569 664 I HA 0.120 4.292 4.170 0.004 0.000 0.296 664 I C -0.311 175.921 176.117 0.191 0.000 1.028 664 I CA -0.716 60.672 61.300 0.146 0.000 1.082 664 I CB 2.041 40.101 38.000 0.100 0.000 1.264 664 I HN 0.499 nan 8.210 nan 0.000 0.429 665 H N 5.160 124.261 119.070 0.051 0.000 2.727 665 H HA 0.561 5.120 4.556 0.004 0.000 0.330 665 H C -1.608 173.738 175.328 0.030 0.000 0.986 665 H CA -0.756 55.314 56.048 0.037 0.000 1.251 665 H CB 1.430 31.209 29.762 0.029 0.000 1.493 665 H HN 0.216 nan 8.280 nan 0.000 0.515 666 V N 7.098 126.938 119.914 -0.123 0.000 2.284 666 V HA 0.333 4.455 4.120 0.004 0.000 0.274 666 V C -2.296 173.642 176.094 -0.261 0.000 1.023 666 V CA -1.874 60.312 62.300 -0.191 0.000 0.808 666 V CB 0.561 32.351 31.823 -0.055 0.000 1.035 666 V HN 0.720 nan 8.190 nan 0.000 0.445 667 P HA 0.078 nan 4.420 nan 0.000 0.265 667 P C 0.256 177.500 177.300 -0.093 0.000 1.187 667 P CA 0.240 63.187 63.100 -0.256 0.000 0.766 667 P CB 0.539 32.113 31.700 -0.210 0.000 0.820 668 E N 1.159 121.341 120.200 -0.029 0.000 2.404 668 E HA 0.326 4.678 4.350 0.004 0.000 0.261 668 E C 1.042 177.638 176.600 -0.006 0.000 1.074 668 E CA 0.339 56.737 56.400 -0.004 0.000 0.917 668 E CB 0.240 29.951 29.700 0.018 0.000 0.965 668 E HN 0.712 nan 8.360 nan 0.000 0.433 669 G N 1.031 109.833 108.800 0.003 0.000 3.967 669 G HA2 -0.079 3.883 3.960 0.004 0.000 0.210 669 G HA3 -0.079 3.883 3.960 0.004 0.000 0.210 669 G C 0.148 175.061 174.900 0.022 0.000 1.127 669 G CA -0.200 44.903 45.100 0.006 0.000 0.887 669 G HN 0.754 nan 8.290 nan 0.000 0.367 670 A N 0.928 123.763 122.820 0.025 0.000 2.540 670 A HA 0.542 4.864 4.320 0.004 0.000 0.239 670 A C 0.583 178.205 177.584 0.062 0.000 1.061 670 A CA 0.590 52.659 52.037 0.053 0.000 0.758 670 A CB 0.671 19.693 19.000 0.036 0.000 0.991 670 A HN 1.197 nan 8.150 nan 0.000 0.502 671 V N 5.378 125.354 119.914 0.103 0.000 2.686 671 V HA 0.217 4.339 4.120 0.004 0.000 0.295 671 V C -1.048 175.068 176.094 0.037 0.000 1.057 671 V CA -1.310 61.040 62.300 0.084 0.000 1.012 671 V CB 1.263 33.171 31.823 0.143 0.000 1.006 671 V HN 0.931 nan 8.190 nan 0.000 0.477 672 P HA -0.343 nan 4.420 nan 0.000 0.216 672 P C 1.605 178.897 177.300 -0.013 0.000 1.062 672 P CA 2.225 65.328 63.100 0.003 0.000 0.995 672 P CB -0.149 31.552 31.700 0.002 0.000 0.762 673 K N -0.082 120.298 120.400 -0.033 0.000 2.189 673 K HA -0.250 4.072 4.320 0.004 0.000 0.207 673 K C 1.399 177.965 176.600 -0.056 0.000 1.046 673 K CA 2.465 58.718 56.287 -0.056 0.000 0.928 673 K CB -0.652 31.790 32.500 -0.097 0.000 0.720 673 K HN 0.053 nan 8.250 nan 0.000 0.458 674 D N -0.730 119.644 120.400 -0.044 0.000 2.369 674 D HA 0.122 4.764 4.640 0.004 0.000 0.211 674 D C 1.520 177.817 176.300 -0.005 0.000 1.077 674 D CA 0.565 54.548 54.000 -0.029 0.000 0.842 674 D CB 0.272 41.069 40.800 -0.005 0.000 0.947 674 D HN 0.375 nan 8.370 nan 0.000 0.509 675 G N 1.541 110.339 108.800 -0.003 0.000 2.553 675 G HA2 -0.229 3.734 3.960 0.004 0.000 0.218 675 G HA3 -0.229 3.734 3.960 0.004 0.000 0.218 675 G C -0.642 174.257 174.900 -0.001 0.000 1.195 675 G CA 0.598 45.699 45.100 0.002 0.000 0.779 675 G HN 0.329 nan 8.290 nan 0.000 0.577 676 P HA 0.148 nan 4.420 nan 0.000 0.239 676 P C 1.266 178.562 177.300 -0.008 0.000 1.184 676 P CA 1.056 64.153 63.100 -0.006 0.000 0.760 676 P CB 0.026 31.720 31.700 -0.010 0.000 0.884 677 A N -0.290 122.526 122.820 -0.007 0.000 2.238 677 A HA 0.342 4.665 4.320 0.004 0.000 0.208 677 A C 1.843 179.426 177.584 -0.002 0.000 1.177 677 A CA 0.808 52.841 52.037 -0.006 0.000 0.804 677 A CB -0.744 18.255 19.000 -0.002 0.000 0.823 677 A HN 0.194 nan 8.150 nan 0.000 0.482 678 A N -0.974 121.846 122.820 -0.001 0.000 2.387 678 A HA 0.466 4.788 4.320 0.004 0.000 0.234 678 A C 1.896 179.479 177.584 -0.000 0.000 1.253 678 A CA 0.810 52.847 52.037 -0.000 0.000 0.894 678 A CB -0.613 18.387 19.000 -0.001 0.000 0.963 678 A HN 0.523 nan 8.150 nan 0.000 0.508 679 G N 1.940 110.737 108.800 -0.004 0.000 2.587 679 G HA2 -0.312 3.650 3.960 0.004 0.000 0.217 679 G HA3 -0.312 3.650 3.960 0.004 0.000 0.217 679 G C 1.530 176.420 174.900 -0.016 0.000 1.240 679 G CA 1.519 46.615 45.100 -0.006 0.000 0.794 679 G HN 0.929 nan 8.290 nan 0.000 0.580 680 I N -0.791 119.761 120.570 -0.030 0.000 2.530 680 I HA -0.107 4.066 4.170 0.004 0.000 0.257 680 I C 2.384 178.489 176.117 -0.019 0.000 1.179 680 I CA 1.939 63.216 61.300 -0.039 0.000 1.440 680 I CB -0.807 37.169 38.000 -0.040 0.000 1.087 680 I HN 0.083 nan 8.210 nan 0.000 0.440 681 T N 3.041 117.590 114.554 -0.008 0.000 2.612 681 T HA -0.127 4.225 4.350 0.004 0.000 0.259 681 T C 1.950 176.655 174.700 0.009 0.000 1.065 681 T CA 2.209 64.309 62.100 -0.000 0.000 1.167 681 T CB -0.510 68.357 68.868 -0.001 0.000 0.863 681 T HN 0.489 nan 8.240 nan 0.000 0.407 682 M N 1.919 121.529 119.600 0.017 0.000 2.108 682 M HA -0.101 4.382 4.480 0.004 0.000 0.257 682 M C 2.642 178.970 176.300 0.046 0.000 1.071 682 M CA 1.940 57.262 55.300 0.037 0.000 1.093 682 M CB -1.106 31.523 32.600 0.047 0.000 1.345 682 M HN 0.253 nan 8.290 nan 0.000 0.403 683 A N 1.228 124.067 122.820 0.032 0.000 1.842 683 A HA -0.191 4.131 4.320 0.004 0.000 0.217 683 A C 2.323 179.921 177.584 0.024 0.000 1.206 683 A CA 2.824 54.878 52.037 0.028 0.000 0.630 683 A CB -1.593 17.388 19.000 -0.032 0.000 0.839 683 A HN 0.567 nan 8.150 nan 0.000 0.447 684 T N 0.360 114.917 114.554 0.005 0.000 2.684 684 T HA -0.235 4.117 4.350 0.004 0.000 0.267 684 T C 2.076 176.785 174.700 0.016 0.000 1.032 684 T CA 2.363 64.469 62.100 0.009 0.000 1.155 684 T CB -0.654 68.218 68.868 0.006 0.000 0.857 684 T HN 0.703 nan 8.240 nan 0.000 0.457 685 A N 1.472 124.304 122.820 0.021 0.000 1.841 685 A HA 0.065 4.387 4.320 0.004 0.000 0.214 685 A C 2.287 179.884 177.584 0.023 0.000 1.195 685 A CA 1.152 53.202 52.037 0.022 0.000 0.611 685 A CB -1.022 17.995 19.000 0.029 0.000 0.835 685 A HN 0.444 nan 8.150 nan 0.000 0.443 686 L N 0.114 121.361 121.223 0.041 0.000 2.103 686 L HA -0.207 4.136 4.340 0.004 0.000 0.215 686 L C 2.378 179.244 176.870 -0.007 0.000 1.080 686 L CA 2.140 57.006 54.840 0.044 0.000 0.764 686 L CB -0.499 41.622 42.059 0.103 0.000 0.890 686 L HN 0.284 nan 8.230 nan 0.000 0.435 687 V N -1.044 118.871 119.914 0.002 0.000 2.256 687 V HA -0.216 3.906 4.120 0.004 0.000 0.240 687 V C 2.672 178.749 176.094 -0.028 0.000 1.036 687 V CA 1.667 63.955 62.300 -0.019 0.000 1.008 687 V CB -0.210 31.625 31.823 0.019 0.000 0.648 687 V HN 0.551 nan 8.190 nan 0.000 0.453 688 S N -0.056 115.639 115.700 -0.010 0.000 2.441 688 S HA -0.244 4.228 4.470 0.004 0.000 0.242 688 S C 1.855 176.441 174.600 -0.022 0.000 1.018 688 S CA 1.901 60.094 58.200 -0.011 0.000 0.988 688 S CB -0.251 62.948 63.200 -0.002 0.000 0.778 688 S HN 0.614 nan 8.310 nan 0.000 0.498 689 A N 0.440 123.242 122.820 -0.031 0.000 1.943 689 A HA 0.356 4.678 4.320 0.004 0.000 0.213 689 A C 2.136 179.673 177.584 -0.077 0.000 1.181 689 A CA 0.538 52.549 52.037 -0.043 0.000 0.653 689 A CB -0.471 18.511 19.000 -0.032 0.000 0.833 689 A HN 0.532 nan 8.150 nan 0.000 0.451 690 L N -0.011 121.148 121.223 -0.107 0.000 2.179 690 L HA -0.063 4.279 4.340 0.004 0.000 0.208 690 L C 2.394 179.211 176.870 -0.087 0.000 1.096 690 L CA 1.686 56.434 54.840 -0.153 0.000 0.779 690 L CB -0.106 41.767 42.059 -0.310 0.000 0.922 690 L HN 0.603 nan 8.230 nan 0.000 0.443 691 T N -3.892 110.624 114.554 -0.063 0.000 3.186 691 T HA 0.206 4.559 4.350 0.004 0.000 0.257 691 T C 1.378 176.067 174.700 -0.018 0.000 1.029 691 T CA 0.288 62.369 62.100 -0.033 0.000 0.916 691 T CB 0.351 69.204 68.868 -0.026 0.000 1.041 691 T HN 0.406 nan 8.240 nan 0.000 0.562 692 G N 1.947 110.734 108.800 -0.021 0.000 2.225 692 G HA2 -0.354 3.608 3.960 0.004 0.000 0.272 692 G HA3 -0.354 3.608 3.960 0.004 0.000 0.272 692 G C 0.777 175.671 174.900 -0.010 0.000 0.996 692 G CA 0.901 45.993 45.100 -0.014 0.000 0.710 692 G HN 0.626 nan 8.290 nan 0.000 0.522 693 R N 0.090 120.583 120.500 -0.011 0.000 1.451 693 R HA 0.575 4.917 4.340 0.004 0.000 0.066 693 R C 0.596 176.892 176.300 -0.007 0.000 0.461 693 R CA 0.693 56.788 56.100 -0.008 0.000 2.066 693 R CB -0.013 30.283 30.300 -0.006 0.000 0.491 693 R HN 1.091 nan 8.270 nan 0.000 0.765 694 A N -0.126 122.691 122.820 -0.005 0.000 2.549 694 A HA 0.264 4.586 4.320 0.004 0.000 0.306 694 A C -0.990 176.592 177.584 -0.002 0.000 1.053 694 A CA -0.710 51.325 52.037 -0.004 0.000 0.892 694 A CB 0.749 19.746 19.000 -0.005 0.000 1.329 694 A HN 0.238 nan 8.150 nan 0.000 0.388 695 V N 1.976 121.890 119.914 -0.000 0.000 2.655 695 V HA 0.301 4.423 4.120 0.004 0.000 0.300 695 V C 1.309 177.402 176.094 -0.001 0.000 1.044 695 V CA 0.631 62.932 62.300 0.002 0.000 1.095 695 V CB 1.700 33.525 31.823 0.003 0.000 0.952 695 V HN 1.095 nan 8.190 nan 0.000 0.485 696 S N 5.317 121.017 115.700 -0.000 0.000 2.430 696 S HA 0.122 4.594 4.470 0.004 0.000 0.282 696 S C 1.564 176.159 174.600 -0.008 0.000 1.186 696 S CA -0.496 57.701 58.200 -0.005 0.000 1.060 696 S CB 0.101 63.300 63.200 -0.003 0.000 0.966 696 S HN 0.796 nan 8.310 nan 0.000 0.501 697 R N 3.865 124.357 120.500 -0.012 0.000 2.226 697 R HA -0.174 4.169 4.340 0.004 0.000 0.246 697 R C 1.117 177.403 176.300 -0.024 0.000 1.161 697 R CA 1.985 58.075 56.100 -0.017 0.000 0.997 697 R CB -0.430 29.859 30.300 -0.018 0.000 0.870 697 R HN 0.686 nan 8.270 nan 0.000 0.465 698 E N 1.019 121.204 120.200 -0.026 0.000 2.208 698 E HA 0.001 4.353 4.350 0.004 0.000 0.193 698 E C 0.121 176.700 176.600 -0.034 0.000 0.988 698 E CA 0.695 57.074 56.400 -0.036 0.000 0.828 698 E CB 0.269 29.949 29.700 -0.033 0.000 0.763 698 E HN 0.128 nan 8.360 nan 0.000 0.478 699 V N 1.141 121.043 119.914 -0.021 0.000 2.498 699 V HA 0.363 4.485 4.120 0.004 0.000 0.279 699 V C 0.486 176.568 176.094 -0.019 0.000 1.048 699 V CA -0.447 61.842 62.300 -0.017 0.000 0.967 699 V CB 1.344 33.169 31.823 0.003 0.000 0.988 699 V HN 0.095 nan 8.190 nan 0.000 0.473 700 G N 4.981 113.765 108.800 -0.027 0.000 2.461 700 G HA2 0.752 4.714 3.960 0.004 0.000 0.323 700 G HA3 0.752 4.714 3.960 0.004 0.000 0.323 700 G C -0.756 174.138 174.900 -0.010 0.000 1.229 700 G CA -0.799 44.291 45.100 -0.018 0.000 0.941 700 G HN 0.819 nan 8.290 nan 0.000 0.477 701 M N 0.483 120.082 119.600 -0.001 0.000 2.619 701 M HA 0.877 5.360 4.480 0.004 0.000 0.297 701 M C -1.032 175.275 176.300 0.010 0.000 1.229 701 M CA -0.752 54.552 55.300 0.005 0.000 0.860 701 M CB 2.714 35.316 32.600 0.003 0.000 1.741 701 M HN 0.419 nan 8.290 nan 0.000 0.462 702 T N 0.450 115.012 114.554 0.014 0.000 2.982 702 T HA 0.828 5.180 4.350 0.004 0.000 0.321 702 T C -1.139 173.563 174.700 0.004 0.000 1.229 702 T CA 0.150 62.258 62.100 0.013 0.000 1.044 702 T CB 1.772 70.656 68.868 0.028 0.000 1.184 702 T HN 1.398 nan 8.240 nan 0.000 0.477 703 G N 2.586 111.382 108.800 -0.006 0.000 2.405 703 G HA2 0.381 4.343 3.960 0.004 0.000 0.303 703 G HA3 0.381 4.343 3.960 0.004 0.000 0.303 703 G C -1.613 173.271 174.900 -0.026 0.000 1.644 703 G CA -0.773 44.315 45.100 -0.020 0.000 0.899 703 G HN 0.782 nan 8.290 nan 0.000 0.667 704 E N 0.362 120.543 120.200 -0.031 0.000 2.331 704 E HA 0.545 4.898 4.350 0.004 0.000 0.272 704 E C -0.516 176.060 176.600 -0.039 0.000 1.036 704 E CA -0.645 55.737 56.400 -0.029 0.000 0.864 704 E CB 1.058 30.741 29.700 -0.028 0.000 1.035 704 E HN 0.296 nan 8.360 nan 0.000 0.408 705 I N 2.641 123.193 120.570 -0.030 0.000 2.607 705 I HA 0.282 4.454 4.170 0.004 0.000 0.305 705 I C -0.015 176.094 176.117 -0.013 0.000 0.995 705 I CA -0.153 61.124 61.300 -0.038 0.000 1.148 705 I CB 1.912 39.891 38.000 -0.035 0.000 1.323 705 I HN 0.638 nan 8.210 nan 0.000 0.461 706 T N 3.507 118.057 114.554 -0.007 0.000 2.916 706 T HA 0.447 4.799 4.350 0.004 0.000 0.292 706 T C 1.258 176.005 174.700 0.080 0.000 1.055 706 T CA -0.684 61.434 62.100 0.029 0.000 1.009 706 T CB 0.834 69.715 68.868 0.021 0.000 1.118 706 T HN 0.449 nan 8.240 nan 0.000 0.497 707 L N 0.707 121.986 121.223 0.093 0.000 2.030 707 L HA -0.211 4.131 4.340 0.004 0.000 0.222 707 L C 3.013 180.004 176.870 0.200 0.000 1.082 707 L CA 1.613 56.532 54.840 0.131 0.000 0.785 707 L CB -0.381 41.731 42.059 0.088 0.000 0.895 707 L HN 0.688 nan 8.230 nan 0.000 0.439 708 R N -0.424 120.177 120.500 0.169 0.000 2.189 708 R HA -0.051 4.291 4.340 0.004 0.000 0.223 708 R C 1.458 177.991 176.300 0.389 0.000 1.092 708 R CA 1.061 57.289 56.100 0.213 0.000 0.989 708 R CB -0.400 29.991 30.300 0.151 0.000 0.876 708 R HN 0.626 nan 8.270 nan 0.000 0.457 709 G N 0.808 109.780 108.800 0.287 0.000 2.175 709 G HA2 -0.234 3.729 3.960 0.004 0.000 0.182 709 G HA3 -0.234 3.729 3.960 0.004 0.000 0.182 709 G C -0.081 174.816 174.900 -0.006 0.000 1.003 709 G CA -0.291 44.839 45.100 0.049 0.000 0.666 709 G HN 0.234 nan 8.290 nan 0.000 0.506 710 R N -0.303 120.205 120.500 0.014 0.000 2.643 710 R HA 0.447 4.789 4.340 0.004 0.000 0.270 710 R C 0.224 176.435 176.300 -0.148 0.000 1.061 710 R CA 0.151 56.172 56.100 -0.132 0.000 1.107 710 R CB 1.002 31.252 30.300 -0.084 0.000 0.999 710 R HN 0.074 nan 8.270 nan 0.000 0.460 711 V N 5.776 125.566 119.914 -0.206 0.000 2.293 711 V HA 0.218 4.340 4.120 0.004 0.000 0.275 711 V C 0.162 176.189 176.094 -0.111 0.000 1.021 711 V CA -0.430 61.789 62.300 -0.136 0.000 0.815 711 V CB 0.586 32.335 31.823 -0.124 0.000 1.025 711 V HN 0.554 nan 8.190 nan 0.000 0.448 712 L N 5.990 127.165 121.223 -0.079 0.000 2.456 712 L HA 0.457 4.800 4.340 0.004 0.000 0.257 712 L C -2.100 174.739 176.870 -0.052 0.000 1.162 712 L CA -1.838 52.964 54.840 -0.062 0.000 0.808 712 L CB 0.919 42.950 42.059 -0.047 0.000 1.136 712 L HN 0.345 nan 8.230 nan 0.000 0.466 713 P HA 0.151 nan 4.420 nan 0.000 0.269 713 P C -0.812 176.465 177.300 -0.039 0.000 1.209 713 P CA -0.015 63.059 63.100 -0.042 0.000 0.776 713 P CB 0.699 32.373 31.700 -0.042 0.000 0.876 714 I N 0.979 121.527 120.570 -0.036 0.000 2.910 714 I HA 0.587 4.759 4.170 0.004 0.000 0.310 714 I C 0.510 176.601 176.117 -0.042 0.000 1.043 714 I CA -0.733 60.547 61.300 -0.032 0.000 1.053 714 I CB 1.651 39.642 38.000 -0.015 0.000 1.242 714 I HN 0.345 nan 8.210 nan 0.000 0.452 715 G N 1.468 110.235 108.800 -0.055 0.000 2.367 715 G HA2 0.491 4.454 3.960 0.004 0.000 0.314 715 G HA3 0.491 4.454 3.960 0.004 0.000 0.314 715 G C 0.269 175.127 174.900 -0.070 0.000 1.130 715 G CA -0.186 44.856 45.100 -0.096 0.000 0.864 715 G HN 1.230 nan 8.290 nan 0.000 0.486 716 G N 0.855 109.613 108.800 -0.070 0.000 2.386 716 G HA2 -0.242 3.720 3.960 0.004 0.000 0.295 716 G HA3 -0.242 3.720 3.960 0.004 0.000 0.295 716 G C 0.996 175.950 174.900 0.091 0.000 0.979 716 G CA 0.389 45.508 45.100 0.031 0.000 1.193 716 G HN 0.755 nan 8.290 nan 0.000 0.508 717 L N -0.576 120.673 121.223 0.043 0.000 2.127 717 L HA -0.098 4.244 4.340 0.004 0.000 0.211 717 L C 2.861 179.778 176.870 0.078 0.000 1.089 717 L CA 2.501 57.376 54.840 0.059 0.000 0.757 717 L CB -0.277 41.792 42.059 0.016 0.000 0.899 717 L HN 0.665 nan 8.230 nan 0.000 0.434 718 K N 0.372 120.805 120.400 0.055 0.000 1.977 718 K HA -0.282 4.041 4.320 0.004 0.000 0.218 718 K C 1.764 178.407 176.600 0.071 0.000 1.051 718 K CA 2.351 58.669 56.287 0.053 0.000 0.953 718 K CB -0.078 32.440 32.500 0.030 0.000 0.727 718 K HN 0.208 nan 8.250 nan 0.000 0.445 719 E N 0.617 120.865 120.200 0.081 0.000 2.160 719 E HA -0.168 4.184 4.350 0.004 0.000 0.195 719 E C 1.956 178.579 176.600 0.038 0.000 0.991 719 E CA 1.458 57.880 56.400 0.036 0.000 0.810 719 E CB 0.017 29.718 29.700 0.002 0.000 0.742 719 E HN 0.294 nan 8.360 nan 0.000 0.466 720 K N -0.062 120.392 120.400 0.089 0.000 2.002 720 K HA -0.057 4.265 4.320 0.004 0.000 0.209 720 K C 2.094 178.743 176.600 0.081 0.000 1.048 720 K CA 1.291 57.628 56.287 0.083 0.000 0.930 720 K CB -0.155 32.409 32.500 0.107 0.000 0.714 720 K HN 0.151 nan 8.250 nan 0.000 0.438 721 A N 0.687 123.581 122.820 0.123 0.000 2.014 721 A HA -0.086 4.236 4.320 0.004 0.000 0.218 721 A C 1.939 179.593 177.584 0.118 0.000 1.163 721 A CA 0.755 52.878 52.037 0.143 0.000 0.652 721 A CB -0.334 18.851 19.000 0.307 0.000 0.808 721 A HN 0.204 nan 8.150 nan 0.000 0.449 722 L N 0.118 121.399 121.223 0.097 0.000 1.994 722 L HA -0.057 4.285 4.340 0.004 0.000 0.208 722 L C 2.375 179.297 176.870 0.087 0.000 1.071 722 L CA 2.343 57.235 54.840 0.086 0.000 0.745 722 L CB -1.023 41.063 42.059 0.044 0.000 0.892 722 L HN 0.312 nan 8.230 nan 0.000 0.431 723 G N -2.034 106.789 108.800 0.038 0.000 2.650 723 G HA2 -0.006 3.957 3.960 0.004 0.000 0.214 723 G HA3 -0.006 3.957 3.960 0.004 0.000 0.214 723 G C 1.468 176.381 174.900 0.021 0.000 1.136 723 G CA 0.589 45.694 45.100 0.008 0.000 0.789 723 G HN 0.591 nan 8.290 nan 0.000 0.536 724 A N -0.219 122.631 122.820 0.049 0.000 1.970 724 A HA 0.036 4.358 4.320 0.004 0.000 0.216 724 A C 1.978 179.600 177.584 0.064 0.000 1.170 724 A CA 1.433 53.490 52.037 0.034 0.000 0.645 724 A CB -0.594 18.419 19.000 0.021 0.000 0.816 724 A HN 0.516 nan 8.150 nan 0.000 0.447 725 H N -0.698 118.374 119.070 0.003 0.000 2.403 725 H HA 0.044 4.597 4.556 -0.006 0.000 0.298 725 H C 2.308 177.694 175.328 0.096 0.000 1.059 725 H CA 1.164 57.230 56.048 0.030 0.000 1.363 725 H CB 0.051 29.833 29.762 0.033 0.000 1.410 725 H HN 0.411 nan 8.280 nan 0.000 0.528 726 R N 0.315 120.828 120.500 0.021 0.000 2.091 726 R HA -0.067 4.275 4.340 0.004 0.000 0.238 726 R C 2.197 178.502 176.300 0.007 0.000 1.136 726 R CA 1.410 57.473 56.100 -0.062 0.000 0.959 726 R CB -0.130 30.133 30.300 -0.062 0.000 0.856 726 R HN 0.303 nan 8.270 nan 0.000 0.437 727 A N -0.512 122.325 122.820 0.028 0.000 2.251 727 A HA 0.251 4.574 4.320 0.004 0.000 0.209 727 A C 0.827 178.426 177.584 0.025 0.000 1.187 727 A CA 0.522 52.592 52.037 0.056 0.000 0.823 727 A CB -0.102 18.892 19.000 -0.010 0.000 0.846 727 A HN 0.439 nan 8.150 nan 0.000 0.486 728 G N -0.430 108.370 108.800 0.000 0.000 2.385 728 G HA2 -0.130 3.832 3.960 0.004 0.000 0.294 728 G HA3 -0.130 3.832 3.960 0.004 0.000 0.294 728 G C -0.382 174.392 174.900 -0.209 0.000 1.070 728 G CA 0.197 45.142 45.100 -0.258 0.000 1.172 728 G HN 0.315 nan 8.290 nan 0.000 0.516 729 L N -0.426 120.737 121.223 -0.099 0.000 2.387 729 L HA 0.736 5.078 4.340 0.004 0.000 0.266 729 L C 1.733 178.558 176.870 -0.074 0.000 1.059 729 L CA 0.348 55.137 54.840 -0.085 0.000 0.801 729 L CB 1.113 43.136 42.059 -0.060 0.000 1.223 729 L HN 0.257 nan 8.230 nan 0.000 0.456 730 T N -1.583 112.927 114.554 -0.075 0.000 2.898 730 T HA 0.076 4.428 4.350 0.004 0.000 0.241 730 T C 0.321 174.962 174.700 -0.098 0.000 1.024 730 T CA 0.664 62.722 62.100 -0.069 0.000 1.174 730 T CB 0.115 68.951 68.868 -0.053 0.000 0.873 730 T HN 0.660 nan 8.240 nan 0.000 0.422 731 T N 2.519 117.023 114.554 -0.084 0.000 2.859 731 T HA 0.642 4.995 4.350 0.004 0.000 0.281 731 T C -0.613 174.019 174.700 -0.114 0.000 1.005 731 T CA -0.540 61.503 62.100 -0.096 0.000 1.025 731 T CB 1.777 70.629 68.868 -0.025 0.000 0.977 731 T HN 0.167 nan 8.240 nan 0.000 0.458 732 I N 3.633 124.105 120.570 -0.165 0.000 2.714 732 I HA 0.340 4.512 4.170 0.004 0.000 0.276 732 I C -0.782 175.311 176.117 -0.040 0.000 1.196 732 I CA -0.830 60.395 61.300 -0.125 0.000 1.068 732 I CB 0.076 37.954 38.000 -0.204 0.000 1.291 732 I HN 0.710 nan 8.210 nan 0.000 0.530 733 I N 6.064 126.622 120.570 -0.021 0.000 2.741 733 I HA 0.162 4.334 4.170 0.004 0.000 0.288 733 I C 0.678 176.809 176.117 0.024 0.000 1.192 733 I CA 0.535 61.831 61.300 -0.006 0.000 1.426 733 I CB 0.462 38.456 38.000 -0.010 0.000 1.367 733 I HN 0.648 nan 8.210 nan 0.000 0.563 734 A N 8.234 131.076 122.820 0.038 0.000 2.583 734 A HA 0.781 5.104 4.320 0.004 0.000 0.289 734 A C -2.784 174.803 177.584 0.006 0.000 1.151 734 A CA -1.594 50.464 52.037 0.036 0.000 0.695 734 A CB 1.248 20.297 19.000 0.081 0.000 1.290 734 A HN 0.381 nan 8.150 nan 0.000 0.419 735 P HA 0.100 nan 4.420 nan 0.000 0.264 735 P C 0.366 177.646 177.300 -0.033 0.000 1.183 735 P CA 0.229 63.310 63.100 -0.032 0.000 0.763 735 P CB 0.712 32.391 31.700 -0.036 0.000 0.807 736 K N 3.235 123.610 120.400 -0.041 0.000 2.032 736 K HA -0.180 4.142 4.320 0.004 0.000 0.209 736 K C 0.558 177.133 176.600 -0.041 0.000 1.048 736 K CA 1.905 58.170 56.287 -0.037 0.000 0.927 736 K CB -0.837 31.643 32.500 -0.034 0.000 0.712 736 K HN 0.336 nan 8.250 nan 0.000 0.441 737 D N -0.222 120.150 120.400 -0.046 0.000 2.348 737 D HA -0.028 4.615 4.640 0.004 0.000 0.248 737 D C 0.227 176.499 176.300 -0.047 0.000 1.142 737 D CA 0.518 54.491 54.000 -0.044 0.000 0.904 737 D CB -0.300 40.473 40.800 -0.045 0.000 0.901 737 D HN 0.373 nan 8.370 nan 0.000 0.523 738 N N -0.464 118.206 118.700 -0.051 0.000 2.184 738 N HA -0.006 4.736 4.740 0.004 0.000 0.206 738 N C 1.455 176.915 175.510 -0.084 0.000 1.151 738 N CA -0.150 52.865 53.050 -0.059 0.000 0.878 738 N CB 0.735 39.193 38.487 -0.048 0.000 1.014 738 N HN 0.081 nan 8.380 nan 0.000 0.512 739 E N 1.302 121.453 120.200 -0.082 0.000 2.097 739 E HA -0.267 4.085 4.350 0.004 0.000 0.196 739 E C 1.431 177.964 176.600 -0.112 0.000 1.000 739 E CA 1.192 57.529 56.400 -0.106 0.000 0.804 739 E CB 0.138 29.792 29.700 -0.076 0.000 0.740 739 E HN -0.005 nan 8.360 nan 0.000 0.454 740 K N 0.612 120.963 120.400 -0.081 0.000 2.574 740 K HA -0.105 4.217 4.320 0.004 0.000 0.193 740 K C 0.595 177.146 176.600 -0.082 0.000 1.035 740 K CA 0.990 57.234 56.287 -0.073 0.000 0.982 740 K CB 0.008 32.477 32.500 -0.053 0.000 0.795 740 K HN 0.143 nan 8.250 nan 0.000 0.491 741 D N -0.905 119.433 120.400 -0.102 0.000 2.388 741 D HA 0.143 4.786 4.640 0.004 0.000 0.208 741 D C 1.267 177.479 176.300 -0.147 0.000 1.035 741 D CA 0.314 54.253 54.000 -0.102 0.000 0.875 741 D CB 0.241 40.990 40.800 -0.086 0.000 0.984 741 D HN 0.198 nan 8.370 nan 0.000 0.508 742 I N 0.531 120.969 120.570 -0.221 0.000 2.676 742 I HA -0.162 4.010 4.170 0.004 0.000 0.259 742 I C 2.116 178.107 176.117 -0.211 0.000 1.194 742 I CA 0.574 61.672 61.300 -0.336 0.000 1.473 742 I CB 0.049 37.732 38.000 -0.529 0.000 1.096 742 I HN -0.079 nan 8.210 nan 0.000 0.443 743 E N 1.574 121.690 120.200 -0.140 0.000 2.065 743 E HA -0.320 4.032 4.350 0.004 0.000 0.201 743 E C 1.592 178.150 176.600 -0.071 0.000 1.016 743 E CA 1.895 58.241 56.400 -0.090 0.000 0.818 743 E CB -0.120 29.540 29.700 -0.067 0.000 0.749 743 E HN 0.301 nan 8.360 nan 0.000 0.453 744 D N -0.875 119.486 120.400 -0.066 0.000 2.349 744 D HA 0.041 4.683 4.640 0.004 0.000 0.224 744 D C -0.176 176.103 176.300 -0.035 0.000 1.029 744 D CA -0.024 53.950 54.000 -0.043 0.000 0.879 744 D CB -0.003 40.776 40.800 -0.036 0.000 0.906 744 D HN 0.196 nan 8.370 nan 0.000 0.528 745 I N 2.186 122.725 120.570 -0.051 0.000 2.581 745 I HA 0.061 4.234 4.170 0.004 0.000 0.285 745 I C -1.843 174.272 176.117 -0.003 0.000 1.129 745 I CA -1.589 59.699 61.300 -0.021 0.000 1.397 745 I CB 0.599 38.582 38.000 -0.029 0.000 1.399 745 I HN -0.152 nan 8.210 nan 0.000 0.537 746 P HA -0.074 nan 4.420 nan 0.000 0.263 746 P C 0.313 177.617 177.300 0.007 0.000 1.175 746 P CA 0.130 63.237 63.100 0.012 0.000 0.761 746 P CB 0.492 32.206 31.700 0.023 0.000 0.794 747 E N 1.522 121.728 120.200 0.010 0.000 2.095 747 E HA -0.283 4.070 4.350 0.004 0.000 0.212 747 E C 1.758 178.354 176.600 -0.007 0.000 1.044 747 E CA 2.518 58.922 56.400 0.008 0.000 0.857 747 E CB -1.583 28.125 29.700 0.015 0.000 0.764 747 E HN 0.417 nan 8.360 nan 0.000 0.462 748 S N 0.398 116.091 115.700 -0.012 0.000 2.380 748 S HA -0.219 4.253 4.470 0.004 0.000 0.229 748 S C 2.162 176.667 174.600 -0.157 0.000 1.043 748 S CA 1.419 59.595 58.200 -0.039 0.000 1.038 748 S CB -0.749 62.449 63.200 -0.003 0.000 0.872 748 S HN 0.250 nan 8.310 nan 0.000 0.456 749 V N 2.067 121.857 119.914 -0.207 0.000 2.446 749 V HA 0.075 4.198 4.120 0.004 0.000 0.244 749 V C 2.351 178.345 176.094 -0.168 0.000 1.039 749 V CA 1.423 63.472 62.300 -0.419 0.000 1.045 749 V CB -0.514 31.145 31.823 -0.275 0.000 0.681 749 V HN 0.443 nan 8.190 nan 0.000 0.459 750 R N -0.040 120.470 120.500 0.017 0.000 2.249 750 R HA -0.211 4.131 4.340 0.004 0.000 0.230 750 R C 2.119 178.480 176.300 0.102 0.000 1.121 750 R CA 2.036 58.246 56.100 0.184 0.000 0.997 750 R CB -0.211 30.171 30.300 0.136 0.000 0.867 750 R HN 0.773 nan 8.270 nan 0.000 0.465 751 E N -1.251 118.951 120.200 0.005 0.000 2.318 751 E HA -0.014 4.338 4.350 0.004 0.000 0.193 751 E C 1.098 177.696 176.600 -0.003 0.000 0.998 751 E CA 0.666 57.071 56.400 0.007 0.000 0.859 751 E CB 0.244 29.945 29.700 0.002 0.000 0.812 751 E HN 0.477 nan 8.360 nan 0.000 0.492 752 G N 0.546 109.318 108.800 -0.047 0.000 3.337 752 G HA2 0.247 4.209 3.960 0.004 0.000 0.246 752 G HA3 0.247 4.209 3.960 0.004 0.000 0.246 752 G C 0.033 174.921 174.900 -0.019 0.000 1.131 752 G CA -0.267 44.837 45.100 0.008 0.000 0.773 752 G HN 0.006 nan 8.290 nan 0.000 0.544 753 L N 1.291 122.457 121.223 -0.096 0.000 2.386 753 L HA 0.415 4.757 4.340 0.004 0.000 0.271 753 L C -0.332 176.391 176.870 -0.244 0.000 0.993 753 L CA -0.861 53.827 54.840 -0.254 0.000 0.819 753 L CB 2.556 44.281 42.059 -0.556 0.000 1.294 753 L HN 0.046 nan 8.230 nan 0.000 0.414 754 T N -1.019 113.399 114.554 -0.226 0.000 2.832 754 T HA 0.439 4.792 4.350 0.004 0.000 0.313 754 T C -0.370 174.228 174.700 -0.170 0.000 1.035 754 T CA -0.382 61.651 62.100 -0.112 0.000 0.950 754 T CB -0.346 68.501 68.868 -0.034 0.000 0.984 754 T HN 0.128 nan 8.240 nan 0.000 0.486 755 F N 4.016 123.953 119.950 -0.022 0.000 2.468 755 F HA 0.278 4.823 4.527 0.030 0.000 0.356 755 F C 0.644 176.403 175.800 -0.069 0.000 1.167 755 F CA -1.244 56.733 58.000 -0.037 0.000 1.135 755 F CB 0.141 39.122 39.000 -0.032 0.000 1.197 755 F HN 0.397 nan 8.300 nan 0.000 0.569 756 I N 5.644 126.220 120.570 0.009 0.000 2.379 756 I HA 0.135 4.307 4.170 0.004 0.000 0.290 756 I C 0.091 176.172 176.117 -0.059 0.000 1.063 756 I CA -0.429 60.795 61.300 -0.125 0.000 1.351 756 I CB 0.171 37.954 38.000 -0.362 0.000 1.410 756 I HN 0.388 nan 8.210 nan 0.000 0.505 757 L N 5.853 127.050 121.223 -0.044 0.000 2.322 757 L HA 0.817 5.159 4.340 0.004 0.000 0.279 757 L C 0.210 177.056 176.870 -0.040 0.000 1.036 757 L CA -0.570 54.257 54.840 -0.022 0.000 0.807 757 L CB 1.664 43.717 42.059 -0.011 0.000 1.226 757 L HN 0.690 nan 8.230 nan 0.000 0.433 758 A N 1.075 123.877 122.820 -0.030 0.000 2.572 758 A HA 0.676 4.999 4.320 0.004 0.000 0.295 758 A C -0.045 177.517 177.584 -0.037 0.000 1.072 758 A CA -0.280 51.745 52.037 -0.019 0.000 0.691 758 A CB 1.872 20.861 19.000 -0.017 0.000 1.291 758 A HN 0.708 nan 8.150 nan 0.000 0.404 759 S N -0.321 115.361 115.700 -0.031 0.000 2.619 759 S HA 0.305 4.777 4.470 0.004 0.000 0.238 759 S C 0.439 174.802 174.600 -0.396 0.000 1.068 759 S CA 0.088 58.181 58.200 -0.178 0.000 0.926 759 S CB -0.060 63.049 63.200 -0.152 0.000 0.864 759 S HN 0.781 nan 8.310 nan 0.000 0.493 760 H N 0.127 119.187 119.070 -0.017 0.000 2.797 760 H HA 0.438 4.996 4.556 0.002 0.000 0.372 760 H C 0.656 175.945 175.328 -0.066 0.000 1.168 760 H CA -0.826 55.203 56.048 -0.032 0.000 1.163 760 H CB 1.679 31.450 29.762 0.016 0.000 1.778 760 H HN -0.068 nan 8.280 nan 0.000 0.551 761 L N 0.542 121.735 121.223 -0.050 0.000 1.997 761 L HA -0.287 4.055 4.340 0.004 0.000 0.216 761 L C 1.974 178.842 176.870 -0.003 0.000 1.074 761 L CA 1.963 56.717 54.840 -0.145 0.000 0.763 761 L CB -0.495 41.269 42.059 -0.492 0.000 0.890 761 L HN 0.726 nan 8.230 nan 0.000 0.434 762 D N -0.442 120.003 120.400 0.074 0.000 2.149 762 D HA -0.281 4.361 4.640 0.004 0.000 0.194 762 D C 1.778 178.130 176.300 0.087 0.000 1.001 762 D CA 1.514 55.572 54.000 0.098 0.000 0.849 762 D CB -0.451 40.414 40.800 0.109 0.000 0.939 762 D HN 0.526 nan 8.370 nan 0.000 0.449 763 E N 0.494 120.752 120.200 0.097 0.000 2.038 763 E HA -0.139 4.213 4.350 0.004 0.000 0.195 763 E C 2.562 179.224 176.600 0.105 0.000 1.000 763 E CA 1.034 57.497 56.400 0.106 0.000 0.803 763 E CB 0.063 29.820 29.700 0.095 0.000 0.750 763 E HN 0.174 nan 8.360 nan 0.000 0.448 764 V N 1.718 121.666 119.914 0.057 0.000 2.255 764 V HA -0.295 3.827 4.120 0.004 0.000 0.247 764 V C 2.554 178.690 176.094 0.070 0.000 1.051 764 V CA 1.651 63.978 62.300 0.045 0.000 1.018 764 V CB -0.659 31.165 31.823 0.003 0.000 0.641 764 V HN 0.278 nan 8.190 nan 0.000 0.445 765 L N -0.182 121.072 121.223 0.051 0.000 2.043 765 L HA -0.261 4.081 4.340 0.004 0.000 0.212 765 L C 2.682 179.586 176.870 0.056 0.000 1.075 765 L CA 2.177 57.045 54.840 0.048 0.000 0.752 765 L CB -0.551 41.537 42.059 0.049 0.000 0.891 765 L HN 0.471 nan 8.230 nan 0.000 0.432 766 E N -0.732 119.512 120.200 0.073 0.000 2.106 766 E HA -0.245 4.107 4.350 0.004 0.000 0.192 766 E C 1.920 178.524 176.600 0.007 0.000 0.984 766 E CA 1.276 57.701 56.400 0.043 0.000 0.806 766 E CB 0.087 29.820 29.700 0.056 0.000 0.750 766 E HN 0.552 nan 8.360 nan 0.000 0.458 767 H N -1.551 117.525 119.070 0.010 0.000 2.525 767 H HA 0.221 4.764 4.556 -0.022 0.000 0.275 767 H C 1.330 176.657 175.328 -0.001 0.000 0.984 767 H CA 1.041 57.092 56.048 0.005 0.000 1.264 767 H CB 0.579 30.345 29.762 0.007 0.000 1.432 767 H HN 0.210 nan 8.280 nan 0.000 0.549 768 A N -0.246 122.638 122.820 0.105 0.000 2.197 768 A HA 0.257 4.579 4.320 0.004 0.000 0.210 768 A C 0.501 178.100 177.584 0.026 0.000 1.180 768 A CA -0.024 52.047 52.037 0.056 0.000 0.846 768 A CB 0.376 19.403 19.000 0.045 0.000 0.884 768 A HN 0.156 nan 8.150 nan 0.000 0.487 769 L N -0.899 120.335 121.223 0.018 0.000 2.332 769 L HA 0.696 5.038 4.340 0.004 0.000 0.269 769 L C -0.100 176.764 176.870 -0.010 0.000 1.016 769 L CA -0.707 54.136 54.840 0.004 0.000 0.809 769 L CB 1.836 43.899 42.059 0.007 0.000 1.280 769 L HN 0.085 nan 8.230 nan 0.000 0.447 770 V N 0.000 119.907 119.914 -0.011 0.000 2.409 770 V HA 0.000 4.122 4.120 0.004 0.000 0.244 770 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 770 V CB 0.000 31.812 31.823 -0.019 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556