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_E 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 0.012 0.000 1.349 246 T CB 0.000 68.875 68.868 0.012 0.000 0.612 247 G N 1.496 110.304 108.800 0.013 0.000 2.797 247 G HA2 -0.160 3.801 3.960 0.000 0.000 0.686 247 G HA3 -0.160 3.801 3.960 0.000 0.000 0.686 247 G C -0.164 174.746 174.900 0.018 0.000 1.452 247 G CA 0.133 45.242 45.100 0.015 0.000 0.986 247 G HN 0.653 nan 8.290 nan 0.000 0.595 248 E N 0.102 120.314 120.200 0.019 0.000 2.405 248 E HA 0.018 4.368 4.350 0.000 0.000 0.194 248 E C 2.272 178.887 176.600 0.025 0.000 1.149 248 E CA 0.594 57.008 56.400 0.022 0.000 0.933 248 E CB -0.144 29.569 29.700 0.022 0.000 1.028 248 E HN 0.871 nan 8.360 nan 0.000 0.487 249 V N -1.584 118.344 119.914 0.023 0.000 3.510 249 V HA -0.144 3.977 4.120 0.000 0.000 0.270 249 V C 1.583 177.691 176.094 0.025 0.000 1.201 249 V CA 1.286 63.601 62.300 0.025 0.000 1.166 249 V CB -0.608 31.229 31.823 0.022 0.000 0.825 249 V HN 0.306 nan 8.190 nan 0.000 0.484 250 Q N -1.270 118.545 119.800 0.024 0.000 2.471 250 Q HA 0.075 4.415 4.340 0.000 0.000 0.259 250 Q C 1.883 177.899 176.000 0.027 0.000 0.850 250 Q CA 0.701 56.518 55.803 0.024 0.000 0.981 250 Q CB -0.434 28.316 28.738 0.020 0.000 1.180 250 Q HN 0.329 nan 8.270 nan 0.000 0.571 251 T N 2.344 116.914 114.554 0.027 0.000 2.680 251 T HA -0.174 4.176 4.350 0.000 0.000 0.268 251 T C 1.699 176.421 174.700 0.035 0.000 1.033 251 T CA 1.933 64.051 62.100 0.029 0.000 1.152 251 T CB -0.209 68.676 68.868 0.028 0.000 0.859 251 T HN 0.205 nan 8.240 nan 0.000 0.452 252 L N 0.441 121.687 121.223 0.038 0.000 2.116 252 L HA 0.014 4.354 4.340 0.000 0.000 0.200 252 L C 3.145 180.041 176.870 0.044 0.000 1.084 252 L CA 1.364 56.231 54.840 0.046 0.000 0.766 252 L CB -1.531 40.558 42.059 0.050 0.000 0.930 252 L HN 0.325 nan 8.230 nan 0.000 0.453 253 T N -2.038 112.539 114.554 0.039 0.000 2.653 253 T HA -0.288 4.062 4.350 0.000 0.000 0.267 253 T C 1.705 176.423 174.700 0.029 0.000 1.037 253 T CA 1.703 63.823 62.100 0.033 0.000 1.159 253 T CB -0.517 68.368 68.868 0.028 0.000 0.859 253 T HN 0.220 nan 8.240 nan 0.000 0.449 254 E N 1.675 121.892 120.200 0.029 0.000 2.021 254 E HA -0.124 4.226 4.350 0.000 0.000 0.200 254 E C 2.236 178.854 176.600 0.030 0.000 1.015 254 E CA 1.492 57.908 56.400 0.026 0.000 0.824 254 E CB -0.370 29.346 29.700 0.025 0.000 0.762 254 E HN 0.648 nan 8.360 nan 0.000 0.454 255 K N 0.344 120.766 120.400 0.037 0.000 2.574 255 K HA -0.009 4.311 4.320 0.000 0.000 0.193 255 K C 2.070 178.701 176.600 0.051 0.000 1.035 255 K CA 0.228 56.542 56.287 0.045 0.000 0.982 255 K CB -0.039 32.492 32.500 0.052 0.000 0.795 255 K HN 0.175 nan 8.250 nan 0.000 0.491 256 I N 0.491 121.086 120.570 0.042 0.000 2.339 256 I HA -0.164 4.006 4.170 0.000 0.000 0.245 256 I C 2.368 178.491 176.117 0.009 0.000 1.096 256 I CA 0.816 62.137 61.300 0.036 0.000 1.408 256 I CB -0.109 37.910 38.000 0.032 0.000 1.092 256 I HN 0.160 nan 8.210 nan 0.000 0.423 257 E N 2.149 122.352 120.200 0.005 0.000 2.516 257 E HA -0.148 4.203 4.350 0.000 0.000 0.199 257 E C 0.792 177.392 176.600 -0.001 0.000 1.069 257 E CA 0.021 56.415 56.400 -0.009 0.000 0.876 257 E CB 0.037 29.736 29.700 -0.001 0.000 0.843 257 E HN 0.442 nan 8.360 nan 0.000 0.530 258 E N -0.496 119.713 120.200 0.016 0.000 2.485 258 E HA -0.105 4.246 4.350 0.000 0.000 0.266 258 E C 0.949 177.563 176.600 0.024 0.000 1.090 258 E CA 0.411 56.828 56.400 0.027 0.000 0.987 258 E CB 0.709 30.436 29.700 0.045 0.000 0.974 258 E HN 0.109 nan 8.360 nan 0.000 0.455 259 A N 3.913 126.752 122.820 0.032 0.000 1.927 259 A HA -0.141 4.179 4.320 0.000 0.000 0.220 259 A C 1.301 178.918 177.584 0.054 0.000 1.185 259 A CA 1.762 53.821 52.037 0.035 0.000 0.639 259 A CB -1.238 17.786 19.000 0.040 0.000 0.820 259 A HN 0.686 nan 8.150 nan 0.000 0.451 260 G N -2.674 106.177 108.800 0.086 0.000 2.432 260 G HA2 0.395 4.355 3.960 0.000 0.000 0.239 260 G HA3 0.395 4.355 3.960 0.000 0.000 0.239 260 G C 0.123 175.097 174.900 0.123 0.000 1.291 260 G CA 0.259 45.456 45.100 0.163 0.000 0.863 260 G HN 0.743 nan 8.290 nan 0.000 0.560 261 M N 1.245 120.930 119.600 0.141 0.000 2.995 261 M HA -0.138 4.342 4.480 0.000 0.000 0.191 261 M C -2.266 173.840 176.300 -0.324 0.000 1.069 261 M CA -0.006 55.110 55.300 -0.307 0.000 0.748 261 M CB -1.087 31.388 32.600 -0.208 0.000 1.622 261 M HN 0.468 nan 8.290 nan 0.000 0.747 262 P HA 0.037 nan 4.420 nan 0.000 0.213 262 P C 0.172 177.251 177.300 -0.367 0.000 1.176 262 P CA 0.732 63.703 63.100 -0.215 0.000 0.894 262 P CB 0.166 31.846 31.700 -0.033 0.000 0.771 263 D N -0.839 119.408 120.400 -0.256 0.000 2.648 263 D HA -0.093 4.547 4.640 0.000 0.000 0.229 263 D C 0.804 176.941 176.300 -0.271 0.000 1.119 263 D CA 0.867 54.767 54.000 -0.167 0.000 0.850 263 D CB 0.163 40.859 40.800 -0.174 0.000 1.169 263 D HN 0.234 nan 8.370 nan 0.000 0.489 264 H N 1.215 120.210 119.070 -0.126 0.000 2.547 264 H HA 0.088 4.645 4.556 0.000 0.000 0.272 264 H C 1.973 177.245 175.328 -0.093 0.000 0.971 264 H CA 0.091 56.077 56.048 -0.104 0.000 1.245 264 H CB 0.081 29.803 29.762 -0.067 0.000 1.440 264 H HN 0.212 nan 8.280 nan 0.000 0.540 265 V N 1.668 121.600 119.914 0.030 0.000 2.546 265 V HA -0.318 3.802 4.120 0.000 0.000 0.254 265 V C 2.102 178.177 176.094 -0.031 0.000 1.076 265 V CA 2.395 64.694 62.300 -0.001 0.000 1.087 265 V CB -0.472 31.346 31.823 -0.008 0.000 0.674 265 V HN 0.610 nan 8.190 nan 0.000 0.470 266 K N 0.321 120.658 120.400 -0.104 0.000 2.190 266 K HA -0.002 4.318 4.320 0.000 0.000 0.202 266 K C 2.039 178.574 176.600 -0.108 0.000 1.045 266 K CA 0.934 57.146 56.287 -0.125 0.000 0.976 266 K CB -0.417 31.904 32.500 -0.298 0.000 0.849 266 K HN 0.296 nan 8.250 nan 0.000 0.468 267 E N 0.957 121.061 120.200 -0.160 0.000 2.219 267 E HA -0.185 4.166 4.350 0.000 0.000 0.198 267 E C 1.135 177.708 176.600 -0.046 0.000 0.998 267 E CA 1.804 58.127 56.400 -0.129 0.000 0.818 267 E CB -0.113 29.479 29.700 -0.179 0.000 0.741 267 E HN 0.451 nan 8.360 nan 0.000 0.477 268 T N 0.379 114.921 114.554 -0.019 0.000 2.555 268 T HA -0.224 4.126 4.350 0.000 0.000 0.264 268 T C 1.884 176.591 174.700 0.012 0.000 1.083 268 T CA 1.701 63.804 62.100 0.005 0.000 1.179 268 T CB -0.526 68.350 68.868 0.013 0.000 0.863 268 T HN 0.353 nan 8.240 nan 0.000 0.412 269 A N 0.865 123.697 122.820 0.020 0.000 2.139 269 A HA -0.014 4.306 4.320 0.000 0.000 0.221 269 A C 2.198 179.808 177.584 0.044 0.000 1.159 269 A CA 1.103 53.163 52.037 0.039 0.000 0.662 269 A CB -0.906 18.137 19.000 0.071 0.000 0.796 269 A HN 0.471 nan 8.150 nan 0.000 0.463 270 L N -0.975 120.265 121.223 0.028 0.000 1.947 270 L HA -0.133 4.207 4.340 0.000 0.000 0.211 270 L C 2.530 179.420 176.870 0.034 0.000 1.098 270 L CA 1.791 56.652 54.840 0.035 0.000 0.767 270 L CB -0.656 41.398 42.059 -0.009 0.000 0.891 270 L HN 0.367 nan 8.230 nan 0.000 0.436 271 K N 0.206 120.617 120.400 0.019 0.000 2.218 271 K HA -0.218 4.103 4.320 0.000 0.000 0.205 271 K C 1.776 178.398 176.600 0.037 0.000 1.046 271 K CA 1.339 57.641 56.287 0.025 0.000 0.933 271 K CB 0.066 32.575 32.500 0.014 0.000 0.728 271 K HN 0.317 nan 8.250 nan 0.000 0.454 272 E N 0.572 120.793 120.200 0.035 0.000 2.007 272 E HA -0.210 4.141 4.350 0.000 0.000 0.203 272 E C 1.812 178.466 176.600 0.090 0.000 1.020 272 E CA 1.567 57.995 56.400 0.045 0.000 0.845 272 E CB -0.180 29.540 29.700 0.034 0.000 0.779 272 E HN 0.287 nan 8.360 nan 0.000 0.466 273 L N 1.615 122.879 121.223 0.068 0.000 2.642 273 L HA -0.129 4.211 4.340 0.000 0.000 0.236 273 L C 2.116 179.037 176.870 0.085 0.000 1.169 273 L CA 0.013 54.895 54.840 0.071 0.000 0.851 273 L CB -0.466 41.492 42.059 -0.168 0.000 0.968 273 L HN 0.223 nan 8.230 nan 0.000 0.453 274 N N 1.339 120.090 118.700 0.085 0.000 2.240 274 N HA -0.112 4.628 4.740 0.000 0.000 0.187 274 N C 1.497 177.067 175.510 0.100 0.000 1.042 274 N CA 1.023 54.120 53.050 0.078 0.000 0.861 274 N CB 0.035 38.555 38.487 0.055 0.000 1.026 274 N HN 0.079 nan 8.380 nan 0.000 0.441 275 R N 0.050 120.596 120.500 0.076 0.000 2.500 275 R HA -0.098 4.242 4.340 0.000 0.000 0.212 275 R C 0.536 176.873 176.300 0.062 0.000 1.330 275 R CA -0.043 56.089 56.100 0.054 0.000 1.262 275 R CB -0.486 29.827 30.300 0.023 0.000 0.998 275 R HN 0.373 nan 8.270 nan 0.000 0.484 276 Y N 0.799 121.089 120.300 -0.017 0.000 3.287 276 Y HA -0.115 4.435 4.550 0.000 0.000 0.222 276 Y C 0.697 176.587 175.900 -0.017 0.000 0.849 276 Y CA 1.111 59.197 58.100 -0.023 0.000 0.934 276 Y CB 0.421 38.860 38.460 -0.035 0.000 1.133 276 Y HN -0.024 nan 8.280 nan 0.000 0.522 277 E N 0.785 121.222 120.200 0.395 0.000 3.351 277 E HA 0.087 4.437 4.350 0.000 0.000 0.220 277 E C 0.477 177.166 176.600 0.148 0.000 1.150 277 E CA -0.201 56.320 56.400 0.200 0.000 1.359 277 E CB 0.831 30.688 29.700 0.261 0.000 1.365 277 E HN 0.208 nan 8.360 nan 0.000 0.434 278 K N 0.798 121.258 120.400 0.100 0.000 2.360 278 K HA -0.058 4.263 4.320 0.000 0.000 0.201 278 K C 0.287 176.915 176.600 0.046 0.000 1.046 278 K CA 0.775 57.100 56.287 0.063 0.000 0.940 278 K CB -0.031 32.497 32.500 0.047 0.000 0.748 278 K HN 0.336 nan 8.250 nan 0.000 0.465 279 I N 2.518 123.114 120.570 0.042 0.000 2.312 279 I HA 0.209 4.380 4.170 0.000 0.000 0.291 279 I C -1.956 174.184 176.117 0.039 0.000 1.031 279 I CA -2.139 59.178 61.300 0.028 0.000 1.293 279 I CB 1.127 39.133 38.000 0.010 0.000 1.403 279 I HN 0.035 nan 8.210 nan 0.000 0.484 280 P HA 0.382 nan 4.420 nan 0.000 0.340 280 P C -0.056 177.259 177.300 0.025 0.000 1.299 280 P CA -0.420 62.694 63.100 0.024 0.000 0.813 280 P CB 0.401 32.112 31.700 0.018 0.000 1.911 281 S N -0.568 115.143 115.700 0.018 0.000 2.695 281 S HA 0.011 4.482 4.470 0.000 0.000 0.250 281 S C 0.976 175.585 174.600 0.016 0.000 1.355 281 S CA -0.003 58.206 58.200 0.016 0.000 0.965 281 S CB -0.754 62.453 63.200 0.012 0.000 0.987 281 S HN 0.476 nan 8.310 nan 0.000 0.576 282 S N 1.359 117.066 115.700 0.011 0.000 4.053 282 S HA 0.142 4.612 4.470 0.000 0.000 0.184 282 S C 0.445 175.048 174.600 0.005 0.000 1.324 282 S CA -0.469 57.735 58.200 0.008 0.000 0.956 282 S CB -1.078 62.125 63.200 0.005 0.000 1.503 282 S HN 0.588 nan 8.310 nan 0.000 0.440 283 S N 2.175 117.881 115.700 0.009 0.000 2.592 283 S HA 0.328 4.798 4.470 0.000 0.000 0.256 283 S C 1.718 176.318 174.600 0.001 0.000 1.369 283 S CA 0.090 58.295 58.200 0.008 0.000 0.984 283 S CB 0.307 63.515 63.200 0.015 0.000 0.919 283 S HN 0.826 nan 8.310 nan 0.000 0.576 284 A N 1.780 124.600 122.820 -0.001 0.000 2.024 284 A HA -0.099 4.221 4.320 0.000 0.000 0.220 284 A C 2.020 179.597 177.584 -0.012 0.000 1.164 284 A CA 1.694 53.727 52.037 -0.007 0.000 0.643 284 A CB -0.621 18.375 19.000 -0.006 0.000 0.806 284 A HN 0.865 nan 8.150 nan 0.000 0.451 285 E N -0.580 119.618 120.200 -0.004 0.000 2.051 285 E HA -0.083 4.268 4.350 0.000 0.000 0.189 285 E C 2.038 178.624 176.600 -0.024 0.000 0.979 285 E CA 1.125 57.520 56.400 -0.008 0.000 0.803 285 E CB -0.864 28.849 29.700 0.023 0.000 0.761 285 E HN 0.500 nan 8.360 nan 0.000 0.451 286 S N 0.612 116.309 115.700 -0.006 0.000 2.584 286 S HA -0.043 4.427 4.470 0.000 0.000 0.240 286 S C 1.616 176.201 174.600 -0.025 0.000 0.975 286 S CA 0.684 58.879 58.200 -0.008 0.000 0.949 286 S CB -0.087 63.121 63.200 0.013 0.000 0.761 286 S HN 0.072 nan 8.310 nan 0.000 0.536 287 S N -0.208 115.473 115.700 -0.032 0.000 2.492 287 S HA 0.137 4.607 4.470 0.000 0.000 0.218 287 S C 1.531 176.097 174.600 -0.057 0.000 1.016 287 S CA 0.250 58.428 58.200 -0.036 0.000 0.916 287 S CB 0.165 63.348 63.200 -0.029 0.000 0.791 287 S HN 0.370 nan 8.310 nan 0.000 0.513 288 V N 3.036 122.907 119.914 -0.071 0.000 2.270 288 V HA -0.110 4.010 4.120 0.000 0.000 0.218 288 V C 2.156 178.190 176.094 -0.099 0.000 0.997 288 V CA 1.126 63.373 62.300 -0.088 0.000 1.019 288 V CB -0.650 31.114 31.823 -0.098 0.000 0.657 288 V HN 0.345 nan 8.190 nan 0.000 0.470 289 I N 0.452 120.927 120.570 -0.158 0.000 2.479 289 I HA -0.277 3.893 4.170 0.000 0.000 0.258 289 I C 2.593 178.661 176.117 -0.082 0.000 1.165 289 I CA 1.673 62.867 61.300 -0.176 0.000 1.422 289 I CB -1.512 36.235 38.000 -0.421 0.000 1.087 289 I HN 0.500 nan 8.210 nan 0.000 0.441 290 R N 1.245 121.696 120.500 -0.081 0.000 2.159 290 R HA -0.275 4.065 4.340 0.000 0.000 0.252 290 R C 2.137 178.430 176.300 -0.011 0.000 1.144 290 R CA 2.400 58.478 56.100 -0.037 0.000 0.961 290 R CB -0.256 30.024 30.300 -0.032 0.000 0.877 290 R HN 0.343 nan 8.270 nan 0.000 0.444 291 N N -0.446 118.233 118.700 -0.036 0.000 2.336 291 N HA -0.141 4.600 4.740 0.000 0.000 0.177 291 N C 1.482 176.953 175.510 -0.065 0.000 1.018 291 N CA 0.890 53.901 53.050 -0.065 0.000 0.878 291 N CB -0.305 38.090 38.487 -0.153 0.000 0.997 291 N HN 0.336 nan 8.380 nan 0.000 0.433 292 Y N 1.367 121.549 120.300 -0.196 0.000 2.271 292 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 292 Y C 2.268 178.159 175.900 -0.014 0.000 1.189 292 Y CA 1.377 59.385 58.100 -0.153 0.000 1.229 292 Y CB -0.104 38.284 38.460 -0.120 0.000 0.973 292 Y HN 0.131 nan 8.280 nan 0.000 0.537 293 I N -0.577 120.131 120.570 0.230 0.000 2.286 293 I HA -0.252 3.918 4.170 0.000 0.000 0.245 293 I C 1.544 177.775 176.117 0.190 0.000 1.104 293 I CA 1.870 63.298 61.300 0.213 0.000 1.397 293 I CB -0.202 37.880 38.000 0.137 0.000 1.072 293 I HN 0.183 nan 8.210 nan 0.000 0.417 294 D N 0.325 120.820 120.400 0.158 0.000 2.084 294 D HA -0.215 4.426 4.640 0.000 0.000 0.196 294 D C 1.712 178.186 176.300 0.290 0.000 0.985 294 D CA 1.355 55.470 54.000 0.192 0.000 0.826 294 D CB -0.297 40.601 40.800 0.164 0.000 0.978 294 D HN 0.370 nan 8.370 nan 0.000 0.456 295 W N 0.903 122.221 121.300 0.030 0.000 2.313 295 W HA -0.097 4.563 4.660 0.000 0.000 0.293 295 W C 2.051 178.603 176.519 0.055 0.000 1.216 295 W CA 0.503 57.851 57.345 0.006 0.000 1.223 295 W CB -0.966 28.461 29.460 -0.055 0.000 1.138 295 W HN 0.084 nan 8.180 nan 0.000 0.535 296 L N -0.605 120.818 121.223 0.332 0.000 2.478 296 L HA -0.104 4.237 4.340 0.000 0.000 0.223 296 L C 1.794 178.900 176.870 0.394 0.000 1.140 296 L CA 0.348 55.402 54.840 0.357 0.000 0.842 296 L CB -0.134 42.112 42.059 0.312 0.000 0.953 296 L HN -0.246 nan 8.230 nan 0.000 0.452 297 V N -1.064 119.024 119.914 0.291 0.000 2.788 297 V HA -0.044 4.076 4.120 0.000 0.000 0.251 297 V C 2.366 178.603 176.094 0.239 0.000 1.068 297 V CA 1.321 63.779 62.300 0.264 0.000 1.090 297 V CB -0.242 31.689 31.823 0.180 0.000 0.710 297 V HN 0.455 nan 8.190 nan 0.000 0.467 298 A N 0.059 122.968 122.820 0.148 0.000 1.887 298 A HA 0.234 4.554 4.320 0.000 0.000 0.212 298 A C 1.129 178.649 177.584 -0.106 0.000 1.198 298 A CA 0.088 52.143 52.037 0.029 0.000 0.628 298 A CB -0.411 18.581 19.000 -0.014 0.000 0.847 298 A HN 0.450 nan 8.150 nan 0.000 0.449 299 L N 1.360 122.495 121.223 -0.147 0.000 2.720 299 L HA 0.008 4.348 4.340 0.000 0.000 0.289 299 L C -2.361 173.891 176.870 -1.030 0.000 1.232 299 L CA -0.972 53.612 54.840 -0.427 0.000 0.915 299 L CB -0.584 41.307 42.059 -0.279 0.000 1.184 299 L HN 0.152 nan 8.230 nan 0.000 0.491 300 P HA 0.103 nan 4.420 nan 0.000 0.272 300 P C -0.763 175.952 177.300 -0.976 0.000 1.230 300 P CA 0.066 62.750 63.100 -0.695 0.000 0.788 300 P CB 0.653 32.188 31.700 -0.276 0.000 0.949 301 W N -1.273 120.049 121.300 0.038 0.000 4.500 301 W HA 0.101 4.761 4.660 0.000 0.000 0.166 301 W C 2.251 178.762 176.519 -0.014 0.000 3.462 301 W CA 0.194 57.529 57.345 -0.017 0.000 1.183 301 W CB -0.997 28.448 29.460 -0.026 0.000 2.096 301 W HN 0.041 nan 8.180 nan 0.000 0.378 302 T N 1.292 116.015 114.554 0.281 0.000 2.721 302 T HA -0.144 4.206 4.350 0.000 0.000 0.268 302 T C -0.089 174.666 174.700 0.092 0.000 1.038 302 T CA 1.752 63.939 62.100 0.145 0.000 1.145 302 T CB -0.808 68.133 68.868 0.121 0.000 0.858 302 T HN 0.006 nan 8.240 nan 0.000 0.459 303 D N 2.506 122.951 120.400 0.075 0.000 2.455 303 D HA 0.234 4.874 4.640 0.000 0.000 0.234 303 D C 0.207 176.521 176.300 0.022 0.000 1.224 303 D CA 0.122 54.144 54.000 0.036 0.000 0.999 303 D CB 0.261 41.070 40.800 0.016 0.000 1.072 303 D HN 0.500 nan 8.370 nan 0.000 0.514 304 E N 0.436 120.653 120.200 0.029 0.000 2.359 304 E HA 0.426 4.776 4.350 0.000 0.000 0.255 304 E C -0.481 176.132 176.600 0.021 0.000 1.191 304 E CA -0.506 55.909 56.400 0.025 0.000 0.952 304 E CB 0.856 30.572 29.700 0.028 0.000 1.152 304 E HN 0.098 nan 8.360 nan 0.000 0.496 305 T N 1.544 116.112 114.554 0.023 0.000 2.890 305 T HA 0.191 4.541 4.350 0.000 0.000 0.295 305 T C -1.511 173.203 174.700 0.024 0.000 0.993 305 T CA -0.786 61.327 62.100 0.022 0.000 0.979 305 T CB 0.966 69.848 68.868 0.023 0.000 0.967 305 T HN 0.389 nan 8.240 nan 0.000 0.441 306 D N 3.181 123.594 120.400 0.021 0.000 2.503 306 D HA 0.017 4.657 4.640 0.000 0.000 0.280 306 D C -0.142 176.171 176.300 0.023 0.000 1.405 306 D CA 0.384 54.396 54.000 0.020 0.000 1.049 306 D CB 0.213 41.023 40.800 0.017 0.000 1.127 306 D HN 0.320 nan 8.370 nan 0.000 0.551 307 D N 3.680 124.094 120.400 0.023 0.000 2.498 307 D HA -0.011 4.629 4.640 0.000 0.000 0.229 307 D C 0.274 176.587 176.300 0.022 0.000 1.188 307 D CA 0.001 54.016 54.000 0.026 0.000 1.028 307 D CB 0.321 41.136 40.800 0.025 0.000 1.087 307 D HN 0.128 nan 8.370 nan 0.000 0.510 308 K N 1.721 122.134 120.400 0.022 0.000 2.416 308 K HA 0.195 4.515 4.320 0.000 0.000 0.283 308 K C 0.418 177.031 176.600 0.022 0.000 1.037 308 K CA -0.102 56.197 56.287 0.019 0.000 0.995 308 K CB 1.056 33.567 32.500 0.018 0.000 0.938 308 K HN 0.372 nan 8.250 nan 0.000 0.475 309 L N 2.939 124.172 121.223 0.017 0.000 2.678 309 L HA 0.183 4.523 4.340 0.000 0.000 0.250 309 L C -0.007 176.872 176.870 0.015 0.000 1.455 309 L CA -0.516 54.335 54.840 0.018 0.000 0.823 309 L CB 0.666 42.733 42.059 0.012 0.000 1.107 309 L HN 0.370 nan 8.230 nan 0.000 0.514 310 D N 1.636 122.046 120.400 0.017 0.000 2.499 310 D HA 0.235 4.876 4.640 0.000 0.000 0.225 310 D C 1.245 177.555 176.300 0.017 0.000 1.124 310 D CA -0.292 53.716 54.000 0.014 0.000 0.938 310 D CB 0.958 41.766 40.800 0.013 0.000 1.014 310 D HN 0.278 nan 8.370 nan 0.000 0.517 311 L N 2.555 123.788 121.223 0.017 0.000 2.034 311 L HA -0.274 4.066 4.340 0.000 0.000 0.217 311 L C 2.351 179.232 176.870 0.018 0.000 1.077 311 L CA 1.233 56.084 54.840 0.019 0.000 0.769 311 L CB -0.533 41.536 42.059 0.017 0.000 0.890 311 L HN 0.305 nan 8.230 nan 0.000 0.435 312 K N 0.133 120.541 120.400 0.014 0.000 2.107 312 K HA -0.260 4.061 4.320 0.000 0.000 0.211 312 K C 1.645 178.253 176.600 0.013 0.000 1.049 312 K CA 1.818 58.112 56.287 0.012 0.000 0.927 312 K CB -0.048 32.458 32.500 0.009 0.000 0.714 312 K HN 0.323 nan 8.250 nan 0.000 0.452 313 E N -1.432 118.777 120.200 0.015 0.000 3.033 313 E HA 0.111 4.461 4.350 0.000 0.000 0.420 313 E C 1.373 177.987 176.600 0.023 0.000 0.478 313 E CA 1.070 57.480 56.400 0.017 0.000 2.555 313 E CB -0.383 29.327 29.700 0.016 0.000 1.927 313 E HN 0.173 nan 8.360 nan 0.000 0.499 314 A N -0.342 122.494 122.820 0.027 0.000 1.724 314 A HA -0.425 3.895 4.320 0.000 0.000 0.348 314 A C 2.331 179.939 177.584 0.039 0.000 4.921 314 A CA 3.633 55.691 52.037 0.036 0.000 1.023 314 A CB -2.541 16.483 19.000 0.038 0.000 0.540 314 A HN 0.739 nan 8.150 nan 0.000 0.472 315 G N -2.243 106.578 108.800 0.034 0.000 2.550 315 G HA2 -0.212 3.748 3.960 0.000 0.000 0.222 315 G HA3 -0.212 3.748 3.960 0.000 0.000 0.222 315 G C 1.264 176.183 174.900 0.032 0.000 1.113 315 G CA 1.782 46.901 45.100 0.031 0.000 0.748 315 G HN 0.604 nan 8.290 nan 0.000 0.585 316 R N -0.760 119.757 120.500 0.029 0.000 2.586 316 R HA 0.461 4.802 4.340 0.000 0.000 0.336 316 R C 1.591 177.910 176.300 0.032 0.000 1.060 316 R CA -0.170 55.947 56.100 0.029 0.000 1.079 316 R CB -0.176 30.135 30.300 0.018 0.000 1.317 316 R HN 0.438 nan 8.270 nan 0.000 0.568 317 L N -0.974 120.274 121.223 0.041 0.000 2.470 317 L HA 0.219 4.559 4.340 0.000 0.000 0.219 317 L C 1.036 177.955 176.870 0.081 0.000 1.071 317 L CA 0.486 55.352 54.840 0.045 0.000 0.850 317 L CB 0.202 42.282 42.059 0.036 0.000 1.040 317 L HN 0.166 nan 8.230 nan 0.000 0.475 318 L N 0.138 121.420 121.223 0.097 0.000 2.083 318 L HA -0.192 4.148 4.340 0.000 0.000 0.209 318 L C 1.310 178.287 176.870 0.179 0.000 1.083 318 L CA 1.246 56.182 54.840 0.160 0.000 0.752 318 L CB -0.689 41.421 42.059 0.085 0.000 0.899 318 L HN 0.300 nan 8.230 nan 0.000 0.433 319 D N -0.610 119.855 120.400 0.109 0.000 2.363 319 D HA -0.117 4.523 4.640 0.000 0.000 0.226 319 D C 1.857 178.237 176.300 0.133 0.000 1.020 319 D CA 0.457 54.522 54.000 0.108 0.000 0.892 319 D CB 0.207 41.036 40.800 0.050 0.000 0.900 319 D HN 0.367 nan 8.370 nan 0.000 0.531 320 E N 0.268 120.531 120.200 0.104 0.000 2.307 320 E HA 0.006 4.357 4.350 0.000 0.000 0.195 320 E C 0.626 177.253 176.600 0.046 0.000 0.975 320 E CA 0.400 56.822 56.400 0.036 0.000 0.878 320 E CB 0.393 30.092 29.700 -0.003 0.000 0.845 320 E HN 0.164 nan 8.360 nan 0.000 0.488 321 E N -0.683 119.584 120.200 0.110 0.000 2.758 321 E HA 0.164 4.514 4.350 0.000 0.000 0.215 321 E C -1.132 175.310 176.600 -0.264 0.000 0.985 321 E CA -0.077 56.319 56.400 -0.006 0.000 1.102 321 E CB 0.845 30.453 29.700 -0.153 0.000 1.042 321 E HN 0.164 nan 8.360 nan 0.000 0.480 322 H N -1.474 117.690 119.070 0.157 0.000 3.086 322 H HA 0.143 4.699 4.556 0.000 0.000 0.353 322 H C 0.082 175.331 175.328 -0.131 0.000 1.134 322 H CA -0.644 55.383 56.048 -0.035 0.000 1.248 322 H CB 1.217 30.990 29.762 0.019 0.000 1.878 322 H HN -0.018 nan 8.280 nan 0.000 0.527 323 H N 2.120 120.999 119.070 -0.318 0.000 2.320 323 H HA 0.035 4.592 4.556 0.000 0.000 0.312 323 H C 1.478 176.793 175.328 -0.022 0.000 1.051 323 H CA 1.602 57.484 56.048 -0.278 0.000 1.339 323 H CB -0.099 29.441 29.762 -0.371 0.000 1.437 323 H HN 0.729 nan 8.280 nan 0.000 0.538 324 G N 0.701 109.560 108.800 0.098 0.000 2.830 324 G HA2 0.039 4.000 3.960 0.000 0.000 0.172 324 G HA3 0.039 4.000 3.960 0.000 0.000 0.172 324 G C 0.664 175.613 174.900 0.082 0.000 1.782 324 G CA 0.512 45.666 45.100 0.090 0.000 0.900 324 G HN 0.631 nan 8.290 nan 0.000 0.389 325 L N 0.184 121.492 121.223 0.142 0.000 3.970 325 L HA -0.253 4.087 4.340 0.000 0.000 0.425 325 L C 1.922 178.795 176.870 0.005 0.000 1.162 325 L CA 0.643 55.513 54.840 0.049 0.000 0.968 325 L CB -1.440 40.637 42.059 0.029 0.000 1.896 325 L HN 0.536 nan 8.230 nan 0.000 1.006 326 E N 0.730 120.934 120.200 0.006 0.000 2.033 326 E HA -0.257 4.093 4.350 0.000 0.000 0.199 326 E C 1.912 178.506 176.600 -0.010 0.000 1.011 326 E CA 2.031 58.426 56.400 -0.009 0.000 0.815 326 E CB -0.122 29.573 29.700 -0.009 0.000 0.755 326 E HN 0.502 nan 8.360 nan 0.000 0.451 327 K N 0.419 120.813 120.400 -0.009 0.000 2.147 327 K HA -0.104 4.216 4.320 0.000 0.000 0.205 327 K C 1.943 178.532 176.600 -0.018 0.000 1.049 327 K CA 0.994 57.274 56.287 -0.012 0.000 0.936 327 K CB 0.041 32.533 32.500 -0.013 0.000 0.722 327 K HN -0.001 nan 8.250 nan 0.000 0.446 328 V N 1.180 121.077 119.914 -0.028 0.000 2.515 328 V HA -0.203 3.918 4.120 0.000 0.000 0.250 328 V C 1.861 177.931 176.094 -0.040 0.000 1.058 328 V CA 1.611 63.887 62.300 -0.041 0.000 1.064 328 V CB -0.305 31.481 31.823 -0.061 0.000 0.675 328 V HN 0.292 nan 8.190 nan 0.000 0.461 329 K N 0.246 120.625 120.400 -0.034 0.000 2.031 329 K HA -0.162 4.158 4.320 0.000 0.000 0.205 329 K C 2.165 178.764 176.600 -0.002 0.000 1.049 329 K CA 1.291 57.564 56.287 -0.024 0.000 0.939 329 K CB -0.228 32.262 32.500 -0.016 0.000 0.717 329 K HN 0.293 nan 8.250 nan 0.000 0.438 330 E N 1.069 121.269 120.200 -0.000 0.000 2.284 330 E HA -0.208 4.142 4.350 0.000 0.000 0.200 330 E C 1.517 178.128 176.600 0.018 0.000 1.008 330 E CA 1.341 57.746 56.400 0.009 0.000 0.829 330 E CB 0.110 29.812 29.700 0.004 0.000 0.744 330 E HN 0.058 nan 8.360 nan 0.000 0.491 331 R N -0.557 119.952 120.500 0.014 0.000 2.334 331 R HA 0.143 4.484 4.340 0.000 0.000 0.212 331 R C 1.301 177.630 176.300 0.050 0.000 0.897 331 R CA 0.099 56.216 56.100 0.028 0.000 1.056 331 R CB 0.373 30.678 30.300 0.009 0.000 1.046 331 R HN 0.289 nan 8.270 nan 0.000 0.513 332 I N 0.415 121.008 120.570 0.038 0.000 2.852 332 I HA -0.109 4.061 4.170 0.000 0.000 0.264 332 I C 2.043 178.231 176.117 0.119 0.000 1.179 332 I CA 0.832 62.170 61.300 0.063 0.000 1.480 332 I CB -0.454 37.559 38.000 0.022 0.000 1.111 332 I HN 0.079 nan 8.210 nan 0.000 0.441 333 L N 0.388 121.658 121.223 0.079 0.000 2.095 333 L HA -0.067 4.273 4.340 0.000 0.000 0.204 333 L C 2.417 179.331 176.870 0.074 0.000 1.080 333 L CA 0.926 55.808 54.840 0.070 0.000 0.759 333 L CB -0.580 41.504 42.059 0.042 0.000 0.914 333 L HN 0.172 nan 8.230 nan 0.000 0.439 334 E N -0.032 120.212 120.200 0.074 0.000 2.114 334 E HA -0.305 4.046 4.350 0.000 0.000 0.199 334 E C 1.765 178.423 176.600 0.095 0.000 1.008 334 E CA 1.729 58.170 56.400 0.069 0.000 0.810 334 E CB -0.208 29.532 29.700 0.067 0.000 0.739 334 E HN 0.424 nan 8.360 nan 0.000 0.456 335 Y N 0.277 120.583 120.300 0.010 0.000 2.619 335 Y HA -0.026 4.525 4.550 0.000 0.000 0.308 335 Y C 1.205 177.117 175.900 0.019 0.000 1.192 335 Y CA 0.467 58.576 58.100 0.015 0.000 1.319 335 Y CB 0.188 38.659 38.460 0.019 0.000 1.030 335 Y HN -0.034 nan 8.280 nan 0.000 0.517 336 L N -2.392 118.851 121.223 0.033 0.000 2.638 336 L HA 0.245 4.586 4.340 0.000 0.000 0.195 336 L C 2.470 179.321 176.870 -0.033 0.000 1.065 336 L CA 0.678 55.512 54.840 -0.011 0.000 0.859 336 L CB -0.952 41.139 42.059 0.052 0.000 1.269 336 L HN -0.022 nan 8.230 nan 0.000 0.484 337 A N 0.114 122.930 122.820 -0.006 0.000 1.997 337 A HA -0.195 4.125 4.320 0.000 0.000 0.221 337 A C 2.255 179.820 177.584 -0.032 0.000 1.172 337 A CA 2.209 54.239 52.037 -0.011 0.000 0.645 337 A CB -0.852 18.149 19.000 0.001 0.000 0.813 337 A HN 0.196 nan 8.150 nan 0.000 0.454 338 V N -0.439 119.445 119.914 -0.050 0.000 2.453 338 V HA -0.264 3.856 4.120 0.000 0.000 0.247 338 V C 2.691 178.714 176.094 -0.120 0.000 1.048 338 V CA 2.301 64.555 62.300 -0.077 0.000 1.049 338 V CB -0.520 31.251 31.823 -0.086 0.000 0.672 338 V HN 0.847 nan 8.190 nan 0.000 0.457 339 Q N 0.573 120.273 119.800 -0.168 0.000 2.020 339 Q HA -0.283 4.057 4.340 0.000 0.000 0.202 339 Q C 2.290 178.235 176.000 -0.092 0.000 0.982 339 Q CA 2.415 58.111 55.803 -0.177 0.000 0.838 339 Q CB -0.329 28.292 28.738 -0.194 0.000 0.899 339 Q HN 0.550 nan 8.270 nan 0.000 0.423 340 K N -0.141 120.223 120.400 -0.060 0.000 2.077 340 K HA -0.224 4.096 4.320 0.000 0.000 0.213 340 K C 2.022 178.603 176.600 -0.033 0.000 1.051 340 K CA 1.987 58.253 56.287 -0.034 0.000 0.929 340 K CB -0.274 32.214 32.500 -0.021 0.000 0.715 340 K HN 0.300 nan 8.250 nan 0.000 0.451 341 L N -0.009 121.192 121.223 -0.036 0.000 1.948 341 L HA -0.117 4.223 4.340 0.000 0.000 0.212 341 L C 1.232 178.082 176.870 -0.033 0.000 1.074 341 L CA 1.231 56.053 54.840 -0.030 0.000 0.753 341 L CB -0.814 41.228 42.059 -0.028 0.000 0.888 341 L HN 0.084 nan 8.230 nan 0.000 0.432 342 T N 2.025 116.552 114.554 -0.046 0.000 3.333 342 T HA -0.018 4.332 4.350 0.000 0.000 0.240 342 T C 1.224 175.898 174.700 -0.044 0.000 0.961 342 T CA -0.024 62.049 62.100 -0.045 0.000 1.215 342 T CB -0.063 68.769 68.868 -0.060 0.000 1.031 342 T HN 0.155 nan 8.240 nan 0.000 0.709 343 K N 1.224 121.607 120.400 -0.029 0.000 2.286 343 K HA -0.048 4.273 4.320 0.000 0.000 0.203 343 K C 0.721 177.310 176.600 -0.020 0.000 1.045 343 K CA 0.700 56.974 56.287 -0.022 0.000 0.935 343 K CB 0.077 32.569 32.500 -0.013 0.000 0.737 343 K HN 0.334 nan 8.250 nan 0.000 0.460 344 S N 0.983 116.670 115.700 -0.022 0.000 2.474 344 S HA 0.259 4.730 4.470 0.000 0.000 0.321 344 S C -0.159 174.425 174.600 -0.027 0.000 1.080 344 S CA -0.671 57.519 58.200 -0.016 0.000 1.106 344 S CB 1.407 64.601 63.200 -0.010 0.000 0.984 344 S HN 0.202 nan 8.310 nan 0.000 0.464 345 L N 4.986 126.195 121.223 -0.022 0.000 2.615 345 L HA 0.043 4.383 4.340 0.000 0.000 0.284 345 L C 0.409 177.266 176.870 -0.022 0.000 1.237 345 L CA 0.317 55.139 54.840 -0.030 0.000 0.905 345 L CB 0.253 42.321 42.059 0.014 0.000 1.149 345 L HN 0.607 nan 8.230 nan 0.000 0.499 346 K N 3.137 123.517 120.400 -0.034 0.000 2.166 346 K HA 0.486 4.806 4.320 0.000 0.000 0.245 346 K C 0.993 177.598 176.600 0.008 0.000 0.967 346 K CA -0.296 55.981 56.287 -0.017 0.000 0.863 346 K CB 1.250 33.735 32.500 -0.025 0.000 1.107 346 K HN 0.548 nan 8.250 nan 0.000 0.436 347 G N 1.355 110.153 108.800 -0.004 0.000 2.732 347 G HA2 -0.216 3.744 3.960 0.000 0.000 0.222 347 G HA3 -0.216 3.744 3.960 0.000 0.000 0.222 347 G C -1.410 173.503 174.900 0.022 0.000 1.203 347 G CA 0.579 45.673 45.100 -0.010 0.000 0.780 347 G HN 0.579 nan 8.290 nan 0.000 0.621 348 P HA 0.219 nan 4.420 nan 0.000 0.256 348 P C -0.428 176.975 177.300 0.172 0.000 1.189 348 P CA 0.259 63.414 63.100 0.091 0.000 0.808 348 P CB 0.005 31.770 31.700 0.107 0.000 0.793 349 I N 1.765 122.400 120.570 0.109 0.000 2.530 349 I HA 0.507 4.677 4.170 0.000 0.000 0.297 349 I C -0.462 175.667 176.117 0.020 0.000 1.011 349 I CA -1.577 59.793 61.300 0.118 0.000 1.107 349 I CB 1.062 39.136 38.000 0.124 0.000 1.285 349 I HN -0.104 nan 8.210 nan 0.000 0.436 350 L N 3.940 125.104 121.223 -0.098 0.000 2.399 350 L HA 0.672 5.012 4.340 0.000 0.000 0.266 350 L C 0.122 176.959 176.870 -0.055 0.000 1.114 350 L CA -0.683 54.082 54.840 -0.125 0.000 0.804 350 L CB 0.613 42.501 42.059 -0.284 0.000 1.146 350 L HN 0.909 nan 8.230 nan 0.000 0.451 351 C N 3.375 122.654 119.300 -0.035 0.000 2.355 351 C HA 0.736 5.196 4.460 0.000 0.000 0.332 351 C C -0.011 174.963 174.990 -0.027 0.000 1.255 351 C CA -0.739 58.271 59.018 -0.013 0.000 1.792 351 C CB 0.106 27.849 27.740 0.005 0.000 2.300 351 C HN 0.785 nan 8.230 nan 0.000 0.515 352 L N 5.536 126.749 121.223 -0.018 0.000 2.289 352 L HA 0.676 5.016 4.340 0.000 0.000 0.285 352 L C 0.468 177.335 176.870 -0.006 0.000 1.049 352 L CA 0.047 54.875 54.840 -0.020 0.000 0.804 352 L CB 1.192 43.242 42.059 -0.016 0.000 1.195 352 L HN 0.894 nan 8.230 nan 0.000 0.428 353 A N 2.523 125.338 122.820 -0.009 0.000 2.414 353 A HA 0.977 5.297 4.320 0.000 0.000 0.306 353 A C -0.267 177.315 177.584 -0.005 0.000 1.054 353 A CA -0.025 52.013 52.037 0.002 0.000 0.724 353 A CB 1.893 20.901 19.000 0.013 0.000 1.267 353 A HN 0.818 nan 8.150 nan 0.000 0.418 354 G N 0.792 109.590 108.800 -0.005 0.000 2.336 354 G HA2 0.488 4.448 3.960 0.000 0.000 0.300 354 G HA3 0.488 4.448 3.960 0.000 0.000 0.300 354 G C -3.610 171.271 174.900 -0.033 0.000 1.375 354 G CA -0.697 44.386 45.100 -0.028 0.000 0.885 354 G HN 0.574 nan 8.290 nan 0.000 0.599 355 P HA 0.219 nan 4.420 nan 0.000 0.266 355 P C -2.210 175.080 177.300 -0.018 0.000 1.193 355 P CA -0.627 62.443 63.100 -0.051 0.000 0.770 355 P CB 0.142 31.798 31.700 -0.073 0.000 0.836 356 P HA 0.053 nan 4.420 nan 0.000 0.272 356 P C 0.462 177.779 177.300 0.029 0.000 1.223 356 P CA 0.529 63.638 63.100 0.015 0.000 0.784 356 P CB 0.332 32.041 31.700 0.016 0.000 0.923 357 G N 1.203 110.031 108.800 0.046 0.000 2.171 357 G HA2 -0.166 3.794 3.960 0.000 0.000 0.238 357 G HA3 -0.166 3.794 3.960 0.000 0.000 0.238 357 G C 0.267 175.236 174.900 0.114 0.000 1.039 357 G CA 0.034 45.174 45.100 0.067 0.000 0.759 357 G HN 0.570 nan 8.290 nan 0.000 0.501 358 V N -4.099 115.882 119.914 0.113 0.000 3.556 358 V HA 0.711 4.832 4.120 0.000 0.000 0.287 358 V C 1.711 177.921 176.094 0.193 0.000 1.422 358 V CA 1.111 63.519 62.300 0.180 0.000 1.038 358 V CB 0.355 32.188 31.823 0.017 0.000 0.850 358 V HN 2.106 nan 8.190 nan 0.000 0.437 359 G N 0.790 109.673 108.800 0.139 0.000 2.205 359 G HA2 -0.220 3.741 3.960 0.000 0.000 0.180 359 G HA3 -0.220 3.741 3.960 0.000 0.000 0.180 359 G C 0.692 175.660 174.900 0.113 0.000 1.004 359 G CA 0.274 45.473 45.100 0.166 0.000 0.670 359 G HN 0.419 nan 8.290 nan 0.000 0.496 360 K N 0.246 120.684 120.400 0.064 0.000 2.015 360 K HA -0.182 4.139 4.320 0.000 0.000 0.220 360 K C 2.600 179.240 176.600 0.066 0.000 1.055 360 K CA 2.455 58.766 56.287 0.041 0.000 0.951 360 K CB -0.622 31.897 32.500 0.032 0.000 0.725 360 K HN 0.364 nan 8.250 nan 0.000 0.449 361 T N 0.509 115.110 114.554 0.078 0.000 2.635 361 T HA -0.236 4.114 4.350 0.000 0.000 0.267 361 T C 2.095 176.832 174.700 0.063 0.000 1.040 361 T CA 1.904 64.061 62.100 0.095 0.000 1.156 361 T CB -0.507 68.410 68.868 0.082 0.000 0.863 361 T HN 0.321 nan 8.240 nan 0.000 0.430 362 S N 0.645 116.391 115.700 0.077 0.000 2.382 362 S HA -0.024 4.446 4.470 0.000 0.000 0.228 362 S C 2.070 176.803 174.600 0.222 0.000 1.027 362 S CA 0.790 59.047 58.200 0.094 0.000 0.991 362 S CB -0.582 62.699 63.200 0.134 0.000 0.823 362 S HN 0.431 nan 8.310 nan 0.000 0.469 363 L N 0.893 122.251 121.223 0.226 0.000 2.012 363 L HA -0.157 4.183 4.340 0.000 0.000 0.210 363 L C 2.968 179.859 176.870 0.036 0.000 1.073 363 L CA 1.429 56.258 54.840 -0.019 0.000 0.748 363 L CB -0.893 41.057 42.059 -0.181 0.000 0.891 363 L HN 0.480 nan 8.230 nan 0.000 0.431 364 A N 0.088 122.946 122.820 0.063 0.000 1.841 364 A HA -0.273 4.047 4.320 0.000 0.000 0.216 364 A C 2.269 179.889 177.584 0.060 0.000 1.199 364 A CA 2.016 54.142 52.037 0.148 0.000 0.621 364 A CB -0.579 18.613 19.000 0.320 0.000 0.835 364 A HN 0.283 nan 8.150 nan 0.000 0.445 365 K N -0.614 119.585 120.400 -0.334 0.000 2.107 365 K HA -0.199 4.121 4.320 0.000 0.000 0.211 365 K C 2.431 178.884 176.600 -0.245 0.000 1.049 365 K CA 1.749 57.541 56.287 -0.825 0.000 0.927 365 K CB -0.252 31.715 32.500 -0.890 0.000 0.714 365 K HN 0.466 nan 8.250 nan 0.000 0.452 366 S N 0.236 115.894 115.700 -0.070 0.000 2.428 366 S HA -0.053 4.417 4.470 0.000 0.000 0.230 366 S C 1.831 176.464 174.600 0.055 0.000 1.014 366 S CA 0.515 58.734 58.200 0.033 0.000 0.957 366 S CB -0.068 63.250 63.200 0.196 0.000 0.784 366 S HN 0.143 nan 8.310 nan 0.000 0.499 367 I N 1.897 122.506 120.570 0.065 0.000 2.208 367 I HA -0.137 4.033 4.170 0.000 0.000 0.245 367 I C 2.467 178.644 176.117 0.099 0.000 1.097 367 I CA 1.423 62.775 61.300 0.086 0.000 1.363 367 I CB -0.502 37.559 38.000 0.102 0.000 1.051 367 I HN 0.362 nan 8.210 nan 0.000 0.413 368 A N -0.666 122.221 122.820 0.111 0.000 1.898 368 A HA -0.177 4.143 4.320 0.000 0.000 0.214 368 A C 2.336 179.967 177.584 0.077 0.000 1.183 368 A CA 1.319 53.435 52.037 0.132 0.000 0.622 368 A CB -0.483 18.664 19.000 0.244 0.000 0.824 368 A HN 0.302 nan 8.150 nan 0.000 0.444 369 K N -0.030 120.391 120.400 0.035 0.000 2.059 369 K HA -0.203 4.117 4.320 0.000 0.000 0.212 369 K C 2.371 178.990 176.600 0.032 0.000 1.050 369 K CA 1.804 58.101 56.287 0.017 0.000 0.927 369 K CB -0.232 32.262 32.500 -0.009 0.000 0.714 369 K HN 0.446 nan 8.250 nan 0.000 0.447 370 S N 0.049 115.775 115.700 0.042 0.000 2.368 370 S HA -0.115 4.355 4.470 0.000 0.000 0.225 370 S C 1.632 176.260 174.600 0.047 0.000 1.030 370 S CA 1.147 59.373 58.200 0.044 0.000 0.999 370 S CB -0.121 63.110 63.200 0.052 0.000 0.844 370 S HN 0.264 nan 8.310 nan 0.000 0.459 371 L N 1.510 122.770 121.223 0.060 0.000 2.554 371 L HA 0.329 4.669 4.340 0.000 0.000 0.226 371 L C 1.826 178.727 176.870 0.051 0.000 1.137 371 L CA 0.900 55.776 54.840 0.059 0.000 0.863 371 L CB -1.050 41.056 42.059 0.078 0.000 0.985 371 L HN 0.501 nan 8.230 nan 0.000 0.451 372 G N 0.227 109.056 108.800 0.047 0.000 2.258 372 G HA2 -0.359 3.601 3.960 0.000 0.000 0.274 372 G HA3 -0.359 3.601 3.960 0.000 0.000 0.274 372 G C 0.583 175.510 174.900 0.045 0.000 1.021 372 G CA 0.358 45.481 45.100 0.039 0.000 0.798 372 G HN 0.394 nan 8.290 nan 0.000 0.507 373 R N -0.307 120.230 120.500 0.061 0.000 2.500 373 R HA 0.518 4.858 4.340 0.000 0.000 0.277 373 R C 0.472 176.818 176.300 0.075 0.000 1.026 373 R CA -0.867 55.272 56.100 0.064 0.000 1.058 373 R CB 0.759 31.105 30.300 0.076 0.000 1.078 373 R HN -0.026 nan 8.270 nan 0.000 0.509 374 K N 1.442 121.876 120.400 0.056 0.000 2.219 374 K HA 0.125 4.445 4.320 0.000 0.000 0.258 374 K C -0.524 176.133 176.600 0.096 0.000 1.008 374 K CA 0.073 56.396 56.287 0.061 0.000 0.928 374 K CB 0.368 32.877 32.500 0.014 0.000 0.983 374 K HN 0.404 nan 8.250 nan 0.000 0.484 375 F N 0.930 120.841 119.950 -0.065 0.000 2.495 375 F HA 0.398 4.925 4.527 0.000 0.000 0.327 375 F C -0.934 174.768 175.800 -0.164 0.000 1.103 375 F CA -0.790 57.156 58.000 -0.090 0.000 0.949 375 F CB 1.293 40.255 39.000 -0.063 0.000 1.142 375 F HN 0.066 nan 8.300 nan 0.000 0.457 376 V N 6.408 125.728 119.914 -0.990 0.000 2.569 376 V HA 0.419 4.539 4.120 0.000 0.000 0.301 376 V C -0.419 175.069 176.094 -1.011 0.000 1.044 376 V CA -0.981 60.810 62.300 -0.848 0.000 0.874 376 V CB 1.601 32.877 31.823 -0.910 0.000 1.002 376 V HN 0.806 nan 8.190 nan 0.000 0.424 377 R N 5.147 125.306 120.500 -0.568 0.000 2.438 377 R HA 0.570 4.910 4.340 0.000 0.000 0.287 377 R C -0.773 175.315 176.300 -0.354 0.000 1.077 377 R CA -0.265 55.626 56.100 -0.349 0.000 1.034 377 R CB 0.884 31.138 30.300 -0.077 0.000 0.993 377 R HN 0.812 nan 8.270 nan 0.000 0.459 378 I N 3.244 123.642 120.570 -0.288 0.000 2.542 378 I HA 0.147 4.318 4.170 0.000 0.000 0.278 378 I C -1.083 174.977 176.117 -0.095 0.000 1.069 378 I CA -0.344 60.827 61.300 -0.215 0.000 1.100 378 I CB 1.636 39.486 38.000 -0.251 0.000 1.204 378 I HN 0.596 nan 8.210 nan 0.000 0.470 379 S N 6.745 122.404 115.700 -0.068 0.000 2.548 379 S HA 0.450 4.920 4.470 0.000 0.000 0.277 379 S C 0.338 174.934 174.600 -0.007 0.000 1.315 379 S CA -0.366 57.816 58.200 -0.028 0.000 1.050 379 S CB 0.728 63.915 63.200 -0.022 0.000 0.918 379 S HN 0.729 nan 8.310 nan 0.000 0.497 380 L N 4.964 126.193 121.223 0.009 0.000 3.154 380 L HA 0.330 4.670 4.340 0.000 0.000 0.266 380 L C 1.848 178.732 176.870 0.024 0.000 1.300 380 L CA -0.314 54.540 54.840 0.023 0.000 1.028 380 L CB -0.222 41.859 42.059 0.037 0.000 1.412 380 L HN 0.903 nan 8.230 nan 0.000 0.564 381 G N -0.058 108.753 108.800 0.018 0.000 2.534 381 G HA2 -0.008 3.952 3.960 0.000 0.000 0.217 381 G HA3 -0.008 3.952 3.960 0.000 0.000 0.217 381 G C 0.843 175.755 174.900 0.021 0.000 1.128 381 G CA 0.482 45.593 45.100 0.018 0.000 0.784 381 G HN 0.473 nan 8.290 nan 0.000 0.542 404 I N 1.789 122.406 120.570 0.078 0.000 2.761 404 I HA -0.086 4.084 4.170 0.000 0.000 0.261 404 I C 2.179 178.262 176.117 -0.058 0.000 1.198 404 I CA 0.759 62.103 61.300 0.072 0.000 1.482 404 I CB -0.895 37.055 38.000 -0.084 0.000 1.100 404 I HN 0.221 nan 8.210 nan 0.000 0.445 405 I N 1.128 121.656 120.570 -0.071 0.000 2.419 405 I HA -0.496 3.674 4.170 0.000 0.000 0.229 405 I C 2.631 178.569 176.117 -0.299 0.000 0.948 405 I CA 2.013 63.210 61.300 -0.172 0.000 1.247 405 I CB -1.104 36.819 38.000 -0.128 0.000 0.956 405 I HN 0.304 nan 8.210 nan 0.000 0.388 406 Q N 0.699 120.328 119.800 -0.285 0.000 1.956 406 Q HA -0.177 4.163 4.340 0.000 0.000 0.208 406 Q C 2.292 178.147 176.000 -0.241 0.000 0.998 406 Q CA 1.867 57.483 55.803 -0.313 0.000 0.855 406 Q CB -0.821 27.773 28.738 -0.240 0.000 0.928 406 Q HN 0.721 nan 8.270 nan 0.000 0.418 407 G N 1.413 110.111 108.800 -0.171 0.000 3.645 407 G HA2 -0.450 3.511 3.960 0.000 0.000 0.296 407 G HA3 -0.450 3.511 3.960 0.000 0.000 0.296 407 G C 1.200 176.029 174.900 -0.120 0.000 1.048 407 G CA 2.099 47.100 45.100 -0.166 0.000 0.970 407 G HN 0.253 nan 8.290 nan 0.000 1.298 408 M N 0.729 120.326 119.600 -0.005 0.000 2.089 408 M HA -0.040 4.440 4.480 0.000 0.000 0.257 408 M C 2.385 178.583 176.300 -0.171 0.000 1.071 408 M CA 2.129 57.366 55.300 -0.105 0.000 1.096 408 M CB -0.540 31.911 32.600 -0.249 0.000 1.330 408 M HN 0.405 nan 8.290 nan 0.000 0.403 409 K N 0.654 120.922 120.400 -0.221 0.000 2.034 409 K HA -0.221 4.100 4.320 0.000 0.000 0.214 409 K C 1.470 177.967 176.600 -0.172 0.000 1.051 409 K CA 1.756 57.916 56.287 -0.212 0.000 0.931 409 K CB -0.372 31.962 32.500 -0.276 0.000 0.715 409 K HN 0.367 nan 8.250 nan 0.000 0.446 410 K N -0.401 119.885 120.400 -0.190 0.000 2.616 410 K HA -0.054 4.267 4.320 0.000 0.000 0.192 410 K C 0.880 177.390 176.600 -0.150 0.000 1.031 410 K CA 0.597 56.782 56.287 -0.170 0.000 1.004 410 K CB 0.088 32.464 32.500 -0.206 0.000 0.810 410 K HN 0.255 nan 8.250 nan 0.000 0.497 411 A N -0.408 122.330 122.820 -0.136 0.000 2.665 411 A HA 0.239 4.559 4.320 0.000 0.000 0.268 411 A C 1.018 178.552 177.584 -0.084 0.000 1.044 411 A CA 0.033 52.009 52.037 -0.102 0.000 0.993 411 A CB 0.138 19.075 19.000 -0.105 0.000 1.229 411 A HN 0.214 nan 8.150 nan 0.000 0.576 412 G N 1.303 110.042 108.800 -0.102 0.000 2.406 412 G HA2 -0.265 3.695 3.960 0.000 0.000 0.311 412 G HA3 -0.265 3.695 3.960 0.000 0.000 0.311 412 G C 0.134 174.979 174.900 -0.091 0.000 0.804 412 G CA 1.387 46.425 45.100 -0.105 0.000 0.875 412 G HN 0.514 nan 8.290 nan 0.000 0.495 413 K N -0.437 119.915 120.400 -0.081 0.000 2.651 413 K HA 0.177 4.497 4.320 0.000 0.000 0.259 413 K C 0.699 177.276 176.600 -0.039 0.000 1.017 413 K CA -0.810 55.446 56.287 -0.053 0.000 0.897 413 K CB 1.154 33.638 32.500 -0.026 0.000 1.262 413 K HN 0.124 nan 8.250 nan 0.000 0.460 414 L N -0.567 120.632 121.223 -0.040 0.000 2.633 414 L HA 0.086 4.426 4.340 0.000 0.000 0.235 414 L C 0.483 177.365 176.870 0.021 0.000 1.163 414 L CA 1.082 55.920 54.840 -0.004 0.000 0.859 414 L CB -0.696 41.372 42.059 0.014 0.000 0.973 414 L HN 0.390 nan 8.230 nan 0.000 0.451 415 N N 1.394 120.105 118.700 0.019 0.000 2.955 415 N HA 0.383 5.123 4.740 0.000 0.000 0.242 415 N C -2.748 172.785 175.510 0.039 0.000 1.123 415 N CA -2.103 50.967 53.050 0.033 0.000 0.949 415 N CB 0.731 39.238 38.487 0.033 0.000 1.214 415 N HN 0.188 nan 8.380 nan 0.000 0.504 416 P HA 0.433 nan 4.420 nan 0.000 0.342 416 P C -1.211 176.124 177.300 0.059 0.000 1.231 416 P CA -0.739 62.394 63.100 0.055 0.000 0.801 416 P CB 1.585 33.347 31.700 0.103 0.000 1.419 417 V N 0.082 120.009 119.914 0.021 0.000 2.439 417 V HA 0.296 4.416 4.120 0.000 0.000 0.277 417 V C -0.669 175.286 176.094 -0.232 0.000 1.008 417 V CA -0.251 62.036 62.300 -0.023 0.000 0.846 417 V CB 0.110 31.985 31.823 0.087 0.000 1.031 417 V HN 0.280 nan 8.190 nan 0.000 0.441 418 F N 4.249 123.863 119.950 -0.561 0.000 2.443 418 F HA 0.489 5.016 4.527 0.000 0.000 0.353 418 F C 0.120 175.598 175.800 -0.536 0.000 1.101 418 F CA -0.673 56.921 58.000 -0.677 0.000 1.226 418 F CB 1.358 39.767 39.000 -0.985 0.000 1.140 418 F HN 0.342 nan 8.300 nan 0.000 0.557 419 L N 5.821 126.804 121.223 -0.400 0.000 2.356 419 L HA 0.389 4.729 4.340 0.000 0.000 0.264 419 L C -1.115 175.684 176.870 -0.118 0.000 1.029 419 L CA -0.517 54.199 54.840 -0.206 0.000 0.897 419 L CB 0.210 42.144 42.059 -0.208 0.000 1.256 419 L HN 0.249 nan 8.230 nan 0.000 0.444 420 L N 4.459 125.670 121.223 -0.019 0.000 2.652 420 L HA 0.018 4.358 4.340 0.000 0.000 0.284 420 L C 1.461 178.343 176.870 0.020 0.000 1.204 420 L CA 0.588 55.446 54.840 0.030 0.000 1.105 420 L CB -1.147 40.976 42.059 0.107 0.000 1.393 420 L HN 0.685 nan 8.230 nan 0.000 0.452 421 D N 2.992 123.389 120.400 -0.004 0.000 2.106 421 D HA -0.148 4.492 4.640 0.000 0.000 0.194 421 D C 0.233 176.547 176.300 0.024 0.000 0.988 421 D CA 1.406 55.414 54.000 0.013 0.000 0.845 421 D CB 0.535 41.339 40.800 0.007 0.000 0.990 421 D HN 0.579 nan 8.370 nan 0.000 0.448 422 E N 0.282 120.495 120.200 0.022 0.000 2.070 422 E HA 0.281 4.632 4.350 0.000 0.000 0.261 422 E C -0.499 176.120 176.600 0.031 0.000 0.926 422 E CA -0.233 56.182 56.400 0.026 0.000 0.760 422 E CB 1.270 30.983 29.700 0.022 0.000 1.133 422 E HN 0.333 nan 8.360 nan 0.000 0.420 423 I N 1.169 121.760 120.570 0.035 0.000 2.318 423 I HA 0.330 4.501 4.170 0.000 0.000 0.285 423 I C -0.478 175.659 176.117 0.033 0.000 1.127 423 I CA -0.329 60.995 61.300 0.039 0.000 1.243 423 I CB -0.148 37.880 38.000 0.047 0.000 1.498 423 I HN 0.362 nan 8.210 nan 0.000 0.535 424 D N 2.407 122.824 120.400 0.029 0.000 2.564 424 D HA -0.105 4.535 4.640 0.000 0.000 0.648 424 D C 0.261 176.576 176.300 0.025 0.000 0.720 424 D CA -0.252 53.764 54.000 0.026 0.000 1.174 424 D CB -0.395 40.420 40.800 0.026 0.000 1.485 424 D HN 0.429 nan 8.370 nan 0.000 0.334 425 K N 0.849 121.264 120.400 0.025 0.000 3.141 425 K HA 0.420 4.740 4.320 0.000 0.000 0.248 425 K C -0.071 176.544 176.600 0.024 0.000 1.282 425 K CA -0.053 56.248 56.287 0.023 0.000 1.251 425 K CB 0.376 32.889 32.500 0.021 0.000 1.533 425 K HN 0.118 nan 8.250 nan 0.000 0.409 426 M N 1.030 120.646 119.600 0.025 0.000 2.043 426 M HA 0.114 4.594 4.480 0.000 0.000 0.322 426 M C -0.148 176.166 176.300 0.024 0.000 0.962 426 M CA -0.157 55.159 55.300 0.027 0.000 0.927 426 M CB 1.686 34.304 32.600 0.031 0.000 1.466 426 M HN 0.298 nan 8.290 nan 0.000 0.412 438 M N 0.014 119.633 119.600 0.030 0.000 2.510 438 M HA 0.259 4.739 4.480 0.000 0.000 0.256 438 M C 1.340 177.657 176.300 0.028 0.000 1.132 438 M CA 0.513 55.837 55.300 0.039 0.000 1.105 438 M CB -0.280 32.363 32.600 0.071 0.000 1.375 438 M HN 0.121 nan 8.290 nan 0.000 0.477 439 L N 1.581 122.814 121.223 0.017 0.000 2.403 439 L HA -0.408 3.932 4.340 0.000 0.000 0.237 439 L C 2.361 179.227 176.870 -0.006 0.000 1.138 439 L CA 3.019 57.860 54.840 0.001 0.000 0.841 439 L CB -2.415 39.640 42.059 -0.007 0.000 0.979 439 L HN 0.686 nan 8.230 nan 0.000 0.435 440 E N -0.651 119.536 120.200 -0.022 0.000 2.301 440 E HA -0.325 4.026 4.350 0.000 0.000 0.224 440 E C 2.082 178.687 176.600 0.009 0.000 1.092 440 E CA 2.636 59.007 56.400 -0.049 0.000 0.913 440 E CB -0.233 29.391 29.700 -0.127 0.000 0.776 440 E HN 0.363 nan 8.360 nan 0.000 0.465 441 V N -0.250 119.722 119.914 0.096 0.000 2.809 441 V HA -0.124 3.996 4.120 0.000 0.000 0.256 441 V C 1.703 177.764 176.094 -0.054 0.000 1.080 441 V CA 1.669 64.129 62.300 0.267 0.000 1.102 441 V CB -0.023 32.001 31.823 0.335 0.000 0.705 441 V HN 0.320 nan 8.190 nan 0.000 0.475 442 L N -1.215 119.940 121.223 -0.113 0.000 2.717 442 L HA 0.366 4.706 4.340 0.000 0.000 0.239 442 L C 0.940 177.726 176.870 -0.140 0.000 1.086 442 L CA 0.076 54.772 54.840 -0.240 0.000 0.897 442 L CB -0.160 41.777 42.059 -0.203 0.000 1.214 442 L HN 0.077 nan 8.230 nan 0.000 0.508 443 D N 2.504 122.860 120.400 -0.073 0.000 2.554 443 D HA -0.048 4.592 4.640 0.000 0.000 0.251 443 D C -1.557 174.714 176.300 -0.047 0.000 1.213 443 D CA -0.898 53.073 54.000 -0.048 0.000 0.900 443 D CB 1.398 42.179 40.800 -0.031 0.000 1.135 443 D HN -0.048 nan 8.370 nan 0.000 0.522 444 P HA -0.194 nan 4.420 nan 0.000 0.218 444 P C 0.944 178.230 177.300 -0.023 0.000 1.154 444 P CA 1.397 64.475 63.100 -0.037 0.000 0.872 444 P CB 0.254 31.939 31.700 -0.026 0.000 0.790 445 E N -0.970 119.220 120.200 -0.018 0.000 2.072 445 E HA -0.214 4.136 4.350 0.000 0.000 0.191 445 E C 2.188 178.785 176.600 -0.006 0.000 0.985 445 E CA 0.961 57.355 56.400 -0.011 0.000 0.801 445 E CB -0.227 29.466 29.700 -0.011 0.000 0.750 445 E HN 0.368 nan 8.360 nan 0.000 0.452 446 Q N 0.633 120.428 119.800 -0.008 0.000 2.324 446 Q HA -0.104 4.237 4.340 0.000 0.000 0.207 446 Q C 1.803 177.821 176.000 0.029 0.000 0.928 446 Q CA 0.796 56.598 55.803 -0.000 0.000 0.890 446 Q CB 0.153 28.880 28.738 -0.018 0.000 1.001 446 Q HN 0.170 nan 8.270 nan 0.000 0.517 447 N N 0.885 119.600 118.700 0.024 0.000 2.182 447 N HA -0.278 4.463 4.740 0.000 0.000 0.192 447 N C 1.572 177.144 175.510 0.103 0.000 1.007 447 N CA 2.123 55.211 53.050 0.064 0.000 0.873 447 N CB -1.035 37.417 38.487 -0.058 0.000 0.998 447 N HN 0.329 nan 8.380 nan 0.000 0.436 448 S N -0.563 115.173 115.700 0.061 0.000 2.378 448 S HA -0.155 4.315 4.470 0.000 0.000 0.221 448 S C 1.213 175.885 174.600 0.120 0.000 1.037 448 S CA 1.088 59.330 58.200 0.070 0.000 1.069 448 S CB -1.034 62.188 63.200 0.038 0.000 1.006 448 S HN 0.411 nan 8.310 nan 0.000 0.423 449 S N 1.026 116.788 115.700 0.103 0.000 2.422 449 S HA 0.491 4.961 4.470 0.000 0.000 0.283 449 S C -0.989 173.711 174.600 0.167 0.000 1.163 449 S CA -0.836 57.437 58.200 0.121 0.000 1.054 449 S CB -0.697 62.538 63.200 0.059 0.000 0.967 449 S HN 0.365 nan 8.310 nan 0.000 0.499 450 F N 4.858 124.865 119.950 0.094 0.000 2.482 450 F HA 0.610 5.137 4.527 0.000 0.000 0.331 450 F C 0.275 176.120 175.800 0.074 0.000 1.115 450 F CA -0.383 57.663 58.000 0.076 0.000 0.955 450 F CB 1.699 40.761 39.000 0.102 0.000 1.136 450 F HN 0.624 nan 8.300 nan 0.000 0.452 451 S N 3.077 118.496 115.700 -0.469 0.000 2.739 451 S HA 0.762 5.232 4.470 0.000 0.000 0.306 451 S C -1.453 172.921 174.600 -0.376 0.000 1.115 451 S CA -0.597 57.429 58.200 -0.290 0.000 0.985 451 S CB 2.059 65.070 63.200 -0.316 0.000 1.133 451 S HN 0.716 nan 8.310 nan 0.000 0.541 452 D N -0.660 119.599 120.400 -0.235 0.000 2.633 452 D HA 0.187 4.827 4.640 0.000 0.000 0.198 452 D C -0.765 175.394 176.300 -0.235 0.000 1.273 452 D CA -0.381 53.476 54.000 -0.238 0.000 0.830 452 D CB 0.599 41.427 40.800 0.048 0.000 1.771 452 D HN 0.648 nan 8.370 nan 0.000 0.547 453 H N 2.914 121.853 119.070 -0.218 0.000 2.935 453 H HA 0.008 4.564 4.556 0.001 0.000 0.376 453 H C 0.387 175.555 175.328 -0.267 0.000 1.307 453 H CA 1.122 56.932 56.048 -0.396 0.000 1.442 453 H CB 0.165 29.395 29.762 -0.888 0.000 1.427 453 H HN 0.728 nan 8.280 nan 0.000 0.615 454 Y N -1.336 119.097 120.300 0.221 0.000 4.079 454 Y HA -0.209 4.341 4.550 0.000 0.000 0.223 454 Y C 1.154 177.083 175.900 0.048 0.000 1.155 454 Y CA 0.240 58.417 58.100 0.130 0.000 1.805 454 Y CB -1.035 37.495 38.460 0.117 0.000 1.571 454 Y HN 0.454 nan 8.280 nan 0.000 0.654 455 I N -0.861 119.816 120.570 0.178 0.000 3.396 455 I HA -0.076 4.094 4.170 0.000 0.000 0.388 455 I C 0.367 176.580 176.117 0.160 0.000 0.817 455 I CA 0.163 61.447 61.300 -0.026 0.000 1.037 455 I CB -0.375 37.660 38.000 0.058 0.000 3.432 455 I HN 0.201 nan 8.210 nan 0.000 0.947 456 E N 3.031 123.339 120.200 0.181 0.000 3.580 456 E HA -0.139 4.212 4.350 0.000 0.000 0.260 456 E C 0.191 176.901 176.600 0.182 0.000 0.828 456 E CA 1.297 57.776 56.400 0.131 0.000 0.984 456 E CB -0.093 29.677 29.700 0.118 0.000 0.826 456 E HN 0.323 nan 8.360 nan 0.000 0.555 457 E N 2.122 122.419 120.200 0.162 0.000 2.748 457 E HA 0.032 4.383 4.350 0.000 0.000 0.320 457 E C -0.812 175.920 176.600 0.220 0.000 0.996 457 E CA -0.276 56.236 56.400 0.187 0.000 0.835 457 E CB 1.286 31.128 29.700 0.237 0.000 1.265 457 E HN 0.293 nan 8.360 nan 0.000 0.420 458 T N 2.632 117.288 114.554 0.171 0.000 2.854 458 T HA 0.205 4.555 4.350 0.000 0.000 0.336 458 T C -0.691 174.212 174.700 0.338 0.000 1.095 458 T CA 0.636 62.855 62.100 0.198 0.000 1.118 458 T CB 0.072 69.012 68.868 0.119 0.000 1.025 458 T HN 0.355 nan 8.240 nan 0.000 0.549 459 F N 2.047 122.120 119.950 0.206 0.000 2.628 459 F HA 0.369 4.896 4.527 0.001 0.000 0.309 459 F C -1.102 174.802 175.800 0.174 0.000 1.108 459 F CA -1.133 57.001 58.000 0.223 0.000 0.971 459 F CB 1.880 41.019 39.000 0.232 0.000 1.279 459 F HN 0.524 nan 8.300 nan 0.000 0.441 460 D N 4.913 125.281 120.400 -0.055 0.000 2.280 460 D HA 0.372 5.012 4.640 0.000 0.000 0.243 460 D C -0.172 176.231 176.300 0.172 0.000 1.129 460 D CA 0.105 54.134 54.000 0.048 0.000 0.848 460 D CB 1.063 41.825 40.800 -0.063 0.000 1.107 460 D HN 0.591 nan 8.370 nan 0.000 0.471 461 L N 2.977 124.293 121.223 0.156 0.000 3.110 461 L HA 0.151 4.491 4.340 0.000 0.000 0.266 461 L C 1.703 178.606 176.870 0.054 0.000 1.257 461 L CA -0.261 54.637 54.840 0.097 0.000 1.038 461 L CB 0.115 42.172 42.059 -0.003 0.000 1.395 461 L HN 0.286 nan 8.230 nan 0.000 0.566 462 S N 0.865 116.593 115.700 0.047 0.000 2.427 462 S HA -0.208 4.262 4.470 0.000 0.000 0.231 462 S C 0.858 175.481 174.600 0.038 0.000 1.045 462 S CA 1.681 59.899 58.200 0.030 0.000 1.154 462 S CB -0.190 63.024 63.200 0.023 0.000 1.093 462 S HN 0.336 nan 8.310 nan 0.000 0.422 463 K N 1.865 122.292 120.400 0.045 0.000 2.142 463 K HA 0.390 4.710 4.320 0.000 0.000 0.250 463 K C -1.408 175.237 176.600 0.074 0.000 1.148 463 K CA 0.035 56.354 56.287 0.053 0.000 1.040 463 K CB 0.531 33.056 32.500 0.041 0.000 1.569 463 K HN 0.056 nan 8.250 nan 0.000 0.361 464 V N 3.100 123.084 119.914 0.118 0.000 2.538 464 V HA 0.093 4.213 4.120 0.000 0.000 0.265 464 V C -0.707 175.564 176.094 0.294 0.000 0.977 464 V CA -0.923 61.474 62.300 0.161 0.000 0.852 464 V CB 1.168 33.110 31.823 0.198 0.000 1.058 464 V HN 0.502 nan 8.190 nan 0.000 0.462 465 L N 4.839 126.183 121.223 0.200 0.000 2.698 465 L HA 0.304 4.644 4.340 0.000 0.000 0.272 465 L C -0.636 176.376 176.870 0.236 0.000 1.154 465 L CA 0.980 55.969 54.840 0.249 0.000 0.964 465 L CB -0.341 41.840 42.059 0.204 0.000 1.272 465 L HN 0.390 nan 8.230 nan 0.000 0.483 466 F N 5.909 125.895 119.950 0.059 0.000 2.385 466 F HA 0.553 5.080 4.527 0.000 0.000 0.336 466 F C 0.694 176.513 175.800 0.031 0.000 1.100 466 F CA -0.447 57.577 58.000 0.040 0.000 1.116 466 F CB 1.143 40.145 39.000 0.004 0.000 1.166 466 F HN 0.265 nan 8.300 nan 0.000 0.511 467 I N 1.841 122.493 120.570 0.136 0.000 2.752 467 I HA 0.627 4.797 4.170 0.000 0.000 0.295 467 I C -1.048 175.107 176.117 0.064 0.000 1.219 467 I CA -1.061 60.283 61.300 0.073 0.000 1.030 467 I CB 2.163 40.192 38.000 0.049 0.000 1.259 467 I HN 0.601 nan 8.210 nan 0.000 0.423 468 A N 3.262 126.111 122.820 0.048 0.000 2.365 468 A HA 0.866 5.186 4.320 0.000 0.000 0.318 468 A C -0.468 177.136 177.584 0.032 0.000 1.091 468 A CA -0.464 51.602 52.037 0.048 0.000 0.763 468 A CB 1.566 20.599 19.000 0.054 0.000 1.248 468 A HN 0.643 nan 8.150 nan 0.000 0.442 469 T N 0.765 115.339 114.554 0.034 0.000 2.912 469 T HA 0.851 5.201 4.350 0.000 0.000 0.280 469 T C -0.014 174.702 174.700 0.026 0.000 0.989 469 T CA 0.441 62.558 62.100 0.030 0.000 0.995 469 T CB 1.540 70.429 68.868 0.036 0.000 1.077 469 T HN 1.990 nan 8.240 nan 0.000 0.531 470 A N 1.102 123.936 122.820 0.022 0.000 2.571 470 A HA 0.562 4.882 4.320 0.000 0.000 0.296 470 A C -0.528 177.068 177.584 0.020 0.000 1.005 470 A CA -0.844 51.207 52.037 0.022 0.000 0.682 470 A CB 0.463 19.477 19.000 0.023 0.000 1.292 470 A HN 0.758 nan 8.150 nan 0.000 0.420 471 N N 0.636 119.349 118.700 0.022 0.000 3.261 471 N HA 0.173 4.914 4.740 0.000 0.000 0.217 471 N C 0.238 175.771 175.510 0.038 0.000 1.152 471 N CA -0.044 53.019 53.050 0.021 0.000 1.153 471 N CB -0.022 38.473 38.487 0.013 0.000 1.474 471 N HN 0.567 nan 8.380 nan 0.000 0.577 472 N N 1.742 120.465 118.700 0.037 0.000 2.466 472 N HA 0.107 4.847 4.740 0.000 0.000 0.263 472 N C 0.270 175.806 175.510 0.042 0.000 1.178 472 N CA 0.052 53.132 53.050 0.049 0.000 0.983 472 N CB -0.064 38.447 38.487 0.040 0.000 1.331 472 N HN 0.301 nan 8.380 nan 0.000 0.500 473 L N 1.855 123.107 121.223 0.048 0.000 2.556 473 L HA -0.218 4.123 4.340 0.000 0.000 0.230 473 L C 1.940 178.824 176.870 0.023 0.000 1.163 473 L CA 0.774 55.634 54.840 0.032 0.000 0.819 473 L CB -0.383 41.694 42.059 0.029 0.000 0.939 473 L HN 0.593 nan 8.230 nan 0.000 0.452 474 A N -0.160 122.676 122.820 0.026 0.000 1.836 474 A HA -0.287 4.033 4.320 0.000 0.000 0.212 474 A C 2.329 179.924 177.584 0.018 0.000 1.243 474 A CA 2.220 54.268 52.037 0.019 0.000 0.620 474 A CB -1.356 17.657 19.000 0.020 0.000 0.889 474 A HN 0.376 nan 8.150 nan 0.000 0.463 475 T N -0.521 114.045 114.554 0.020 0.000 2.856 475 T HA -0.226 4.124 4.350 0.000 0.000 0.260 475 T C 0.794 175.506 174.700 0.020 0.000 1.043 475 T CA 1.420 63.532 62.100 0.020 0.000 1.155 475 T CB -1.074 67.807 68.868 0.021 0.000 0.825 475 T HN 0.305 nan 8.240 nan 0.000 0.503 476 I N 2.499 123.082 120.570 0.021 0.000 2.845 476 I HA 0.053 4.223 4.170 0.000 0.000 0.296 476 I C -2.048 174.079 176.117 0.017 0.000 1.216 476 I CA -1.416 59.896 61.300 0.020 0.000 1.438 476 I CB 0.555 38.567 38.000 0.020 0.000 1.342 476 I HN 0.213 nan 8.210 nan 0.000 0.577 477 P HA 0.070 nan 4.420 nan 0.000 0.276 477 P C 0.823 178.130 177.300 0.011 0.000 1.253 477 P CA -0.081 63.028 63.100 0.014 0.000 0.766 477 P CB 1.066 32.776 31.700 0.016 0.000 0.845 478 G N 6.149 114.954 108.800 0.008 0.000 2.663 478 G HA2 -0.263 3.697 3.960 0.000 0.000 0.222 478 G HA3 -0.263 3.697 3.960 0.000 0.000 0.222 478 G C -0.952 173.950 174.900 0.004 0.000 1.146 478 G CA 1.000 46.103 45.100 0.005 0.000 0.764 478 G HN 0.409 nan 8.290 nan 0.000 0.608 479 P HA -0.121 nan 4.420 nan 0.000 0.217 479 P C 2.095 179.398 177.300 0.004 0.000 1.162 479 P CA 1.016 64.118 63.100 0.004 0.000 0.901 479 P CB -0.097 31.606 31.700 0.005 0.000 0.793 480 L N -1.059 120.169 121.223 0.008 0.000 2.005 480 L HA -0.089 4.252 4.340 0.000 0.000 0.207 480 L C 2.553 179.429 176.870 0.010 0.000 1.072 480 L CA 1.741 56.587 54.840 0.011 0.000 0.744 480 L CB -1.692 40.378 42.059 0.019 0.000 0.895 480 L HN 0.005 nan 8.230 nan 0.000 0.433 481 R N 0.118 120.624 120.500 0.010 0.000 2.226 481 R HA -0.205 4.135 4.340 0.000 0.000 0.246 481 R C 1.412 177.716 176.300 0.005 0.000 1.161 481 R CA 1.631 57.736 56.100 0.008 0.000 0.997 481 R CB 0.017 30.321 30.300 0.006 0.000 0.870 481 R HN 0.465 nan 8.270 nan 0.000 0.465 482 D N -0.544 119.858 120.400 0.004 0.000 2.277 482 D HA -0.030 4.610 4.640 0.000 0.000 0.209 482 D C 1.613 177.915 176.300 0.003 0.000 0.970 482 D CA 0.378 54.379 54.000 0.003 0.000 0.874 482 D CB -0.046 40.755 40.800 0.001 0.000 0.982 482 D HN 0.155 nan 8.370 nan 0.000 0.504 483 R N 0.587 121.088 120.500 0.002 0.000 2.280 483 R HA 0.056 4.396 4.340 0.000 0.000 0.207 483 R C 1.137 177.440 176.300 0.004 0.000 1.043 483 R CA 0.288 56.387 56.100 -0.001 0.000 1.006 483 R CB -0.187 30.108 30.300 -0.009 0.000 0.885 483 R HN 0.372 nan 8.270 nan 0.000 0.467 484 M N -0.991 118.614 119.600 0.009 0.000 2.464 484 M HA 0.401 4.881 4.480 0.000 0.000 0.308 484 M C -0.732 175.576 176.300 0.013 0.000 1.127 484 M CA -0.676 54.632 55.300 0.015 0.000 0.913 484 M CB 2.788 35.398 32.600 0.016 0.000 1.689 484 M HN -0.256 nan 8.290 nan 0.000 0.445 485 E N 3.173 123.382 120.200 0.014 0.000 2.227 485 E HA 0.495 4.845 4.350 0.000 0.000 0.282 485 E C -1.559 175.033 176.600 -0.013 0.000 1.015 485 E CA -0.572 55.834 56.400 0.010 0.000 0.823 485 E CB 1.220 30.941 29.700 0.034 0.000 1.081 485 E HN 0.789 nan 8.360 nan 0.000 0.396 486 I N 5.728 126.292 120.570 -0.010 0.000 2.412 486 I HA 0.343 4.513 4.170 0.000 0.000 0.296 486 I C -0.225 175.879 176.117 -0.023 0.000 0.987 486 I CA -0.831 60.459 61.300 -0.017 0.000 1.180 486 I CB 1.334 39.330 38.000 -0.007 0.000 1.340 486 I HN 0.483 nan 8.210 nan 0.000 0.455 487 I N 5.122 125.672 120.570 -0.032 0.000 2.498 487 I HA 0.309 4.479 4.170 0.000 0.000 0.290 487 I C -0.993 175.107 176.117 -0.029 0.000 1.032 487 I CA -0.791 60.489 61.300 -0.034 0.000 1.073 487 I CB 1.870 39.838 38.000 -0.053 0.000 1.251 487 I HN 0.485 nan 8.210 nan 0.000 0.426 488 N N 6.756 125.441 118.700 -0.024 0.000 2.437 488 N HA 0.440 5.181 4.740 0.000 0.000 0.259 488 N C -0.658 174.824 175.510 -0.047 0.000 0.983 488 N CA -0.559 52.478 53.050 -0.022 0.000 0.937 488 N CB 1.205 39.691 38.487 -0.001 0.000 1.122 488 N HN 0.386 nan 8.380 nan 0.000 0.499 489 I N 0.659 121.192 120.570 -0.061 0.000 2.428 489 I HA 0.318 4.488 4.170 0.000 0.000 0.289 489 I C 0.987 177.020 176.117 -0.140 0.000 1.019 489 I CA -0.428 60.809 61.300 -0.106 0.000 1.351 489 I CB 0.966 38.909 38.000 -0.095 0.000 1.412 489 I HN 0.551 nan 8.210 nan 0.000 0.513 490 A N 4.447 127.137 122.820 -0.218 0.000 1.942 490 A HA 0.615 4.935 4.320 0.000 0.000 0.209 490 A C 1.081 178.513 177.584 -0.253 0.000 1.214 490 A CA 0.791 52.712 52.037 -0.193 0.000 0.686 490 A CB -0.121 18.784 19.000 -0.159 0.000 0.871 490 A HN 1.172 nan 8.150 nan 0.000 0.460 491 G N -2.526 105.990 108.800 -0.473 0.000 2.316 491 G HA2 0.288 4.248 3.960 0.000 0.000 0.349 491 G HA3 0.288 4.248 3.960 0.000 0.000 0.349 491 G C -1.257 173.290 174.900 -0.588 0.000 1.274 491 G CA -0.415 44.434 45.100 -0.417 0.000 1.018 491 G HN 0.696 nan 8.290 nan 0.000 0.486 492 Y N -0.551 119.752 120.300 0.006 0.000 2.521 492 Y HA 0.556 5.106 4.550 0.000 0.000 0.332 492 Y C 0.672 176.587 175.900 0.025 0.000 1.121 492 Y CA -0.250 57.859 58.100 0.015 0.000 1.037 492 Y CB 1.739 40.203 38.460 0.006 0.000 1.330 492 Y HN 0.803 nan 8.280 nan 0.000 0.452 493 T N 0.087 114.764 114.554 0.206 0.000 2.898 493 T HA 0.109 4.459 4.350 0.000 0.000 0.301 493 T C 1.126 175.900 174.700 0.124 0.000 1.049 493 T CA -0.618 61.568 62.100 0.143 0.000 1.095 493 T CB 1.100 70.033 68.868 0.109 0.000 0.976 493 T HN 0.749 nan 8.240 nan 0.000 0.539 494 E N 0.129 120.405 120.200 0.127 0.000 2.065 494 E HA -0.184 4.166 4.350 0.000 0.000 0.201 494 E C 2.070 178.690 176.600 0.033 0.000 1.016 494 E CA 1.034 57.480 56.400 0.076 0.000 0.818 494 E CB -0.126 29.632 29.700 0.095 0.000 0.749 494 E HN 0.486 nan 8.360 nan 0.000 0.453 495 I N 1.549 122.149 120.570 0.050 0.000 2.113 495 I HA -0.325 3.845 4.170 0.000 0.000 0.242 495 I C 2.236 178.341 176.117 -0.020 0.000 1.064 495 I CA 1.605 62.919 61.300 0.023 0.000 1.320 495 I CB -1.171 36.858 38.000 0.049 0.000 1.028 495 I HN 0.205 nan 8.210 nan 0.000 0.406 496 E N 0.421 120.632 120.200 0.018 0.000 2.012 496 E HA -0.269 4.082 4.350 0.000 0.000 0.197 496 E C 2.196 178.643 176.600 -0.254 0.000 1.007 496 E CA 1.687 58.069 56.400 -0.030 0.000 0.816 496 E CB -0.110 29.696 29.700 0.177 0.000 0.762 496 E HN 0.397 nan 8.360 nan 0.000 0.451 497 K N 0.417 120.702 120.400 -0.191 0.000 2.052 497 K HA -0.259 4.061 4.320 0.000 0.000 0.215 497 K C 2.222 178.675 176.600 -0.245 0.000 1.053 497 K CA 1.692 57.826 56.287 -0.255 0.000 0.934 497 K CB -0.459 31.971 32.500 -0.116 0.000 0.717 497 K HN 0.057 nan 8.250 nan 0.000 0.450 498 L N 1.716 122.838 121.223 -0.169 0.000 1.997 498 L HA -0.271 4.069 4.340 0.000 0.000 0.216 498 L C 2.003 178.754 176.870 -0.199 0.000 1.074 498 L CA 1.961 56.714 54.840 -0.145 0.000 0.763 498 L CB -0.374 41.630 42.059 -0.092 0.000 0.890 498 L HN 0.193 nan 8.230 nan 0.000 0.434 499 E N -0.075 119.937 120.200 -0.312 0.000 2.106 499 E HA -0.165 4.185 4.350 0.000 0.000 0.192 499 E C 2.332 178.655 176.600 -0.462 0.000 0.984 499 E CA 1.707 57.863 56.400 -0.407 0.000 0.806 499 E CB -0.265 29.056 29.700 -0.631 0.000 0.750 499 E HN 0.674 nan 8.360 nan 0.000 0.458 500 I N 0.835 121.046 120.570 -0.599 0.000 2.163 500 I HA -0.269 3.901 4.170 0.000 0.000 0.243 500 I C 2.511 178.514 176.117 -0.190 0.000 1.085 500 I CA 0.880 61.928 61.300 -0.420 0.000 1.347 500 I CB -0.853 36.860 38.000 -0.479 0.000 1.044 500 I HN -0.075 nan 8.210 nan 0.000 0.408 501 V N 1.337 121.143 119.914 -0.181 0.000 2.220 501 V HA -0.361 3.759 4.120 0.000 0.000 0.250 501 V C 2.569 178.627 176.094 -0.060 0.000 1.056 501 V CA 2.273 64.509 62.300 -0.107 0.000 1.016 501 V CB -0.826 30.931 31.823 -0.109 0.000 0.639 501 V HN 0.409 nan 8.190 nan 0.000 0.446 502 K N -0.406 119.956 120.400 -0.063 0.000 2.026 502 K HA -0.169 4.151 4.320 0.000 0.000 0.208 502 K C 1.737 178.342 176.600 0.009 0.000 1.048 502 K CA 1.801 58.069 56.287 -0.032 0.000 0.929 502 K CB -0.232 32.246 32.500 -0.037 0.000 0.713 502 K HN 0.481 nan 8.250 nan 0.000 0.439 503 D N -1.398 119.054 120.400 0.087 0.000 2.367 503 D HA 0.022 4.663 4.640 0.000 0.000 0.207 503 D C 0.983 177.291 176.300 0.013 0.000 1.034 503 D CA 0.803 54.860 54.000 0.094 0.000 0.861 503 D CB 0.445 41.362 40.800 0.194 0.000 0.943 503 D HN 0.294 nan 8.370 nan 0.000 0.515 504 H N -1.040 118.005 119.070 -0.042 0.000 1.920 504 H HA 0.296 4.852 4.556 0.000 0.000 0.186 504 H C 1.937 177.228 175.328 -0.061 0.000 0.924 504 H CA -0.293 55.724 56.048 -0.050 0.000 1.039 504 H CB 0.097 29.828 29.762 -0.053 0.000 1.126 504 H HN -0.181 nan 8.280 nan 0.000 0.379 505 L N 0.434 121.704 121.223 0.078 0.000 1.963 505 L HA -0.200 4.140 4.340 0.000 0.000 0.220 505 L C 2.236 179.101 176.870 -0.007 0.000 1.076 505 L CA 1.432 56.276 54.840 0.005 0.000 0.772 505 L CB -0.335 41.701 42.059 -0.039 0.000 0.892 505 L HN 0.210 nan 8.230 nan 0.000 0.435 506 L N 0.266 121.475 121.223 -0.024 0.000 1.961 506 L HA -0.105 4.235 4.340 0.000 0.000 0.210 506 L C -0.272 176.582 176.870 -0.028 0.000 1.072 506 L CA 2.227 57.043 54.840 -0.040 0.000 0.749 506 L CB -2.293 39.730 42.059 -0.059 0.000 0.889 506 L HN 0.022 nan 8.230 nan 0.000 0.432 507 P HA -0.256 nan 4.420 nan 0.000 0.216 507 P C 1.625 178.915 177.300 -0.017 0.000 1.157 507 P CA 1.988 65.070 63.100 -0.030 0.000 0.880 507 P CB -0.142 31.531 31.700 -0.045 0.000 0.791 508 K N -0.527 119.865 120.400 -0.014 0.000 2.059 508 K HA -0.266 4.054 4.320 0.000 0.000 0.212 508 K C 2.158 178.772 176.600 0.023 0.000 1.050 508 K CA 1.627 57.910 56.287 -0.006 0.000 0.927 508 K CB -0.282 32.214 32.500 -0.006 0.000 0.714 508 K HN 0.047 nan 8.250 nan 0.000 0.447 509 Q N 0.266 120.092 119.800 0.043 0.000 2.137 509 Q HA -0.055 4.286 4.340 0.000 0.000 0.198 509 Q C 2.224 178.329 176.000 0.175 0.000 0.960 509 Q CA 0.803 56.685 55.803 0.131 0.000 0.847 509 Q CB -0.049 28.737 28.738 0.081 0.000 0.915 509 Q HN 0.403 nan 8.270 nan 0.000 0.448 510 I N 1.239 121.841 120.570 0.053 0.000 2.069 510 I HA -0.307 3.863 4.170 0.000 0.000 0.237 510 I C 2.348 178.503 176.117 0.064 0.000 1.053 510 I CA 1.384 62.705 61.300 0.036 0.000 1.311 510 I CB -0.938 37.059 38.000 -0.006 0.000 1.030 510 I HN 0.235 nan 8.210 nan 0.000 0.398 511 K N 0.951 121.369 120.400 0.030 0.000 2.211 511 K HA -0.235 4.085 4.320 0.000 0.000 0.204 511 K C 1.918 178.526 176.600 0.013 0.000 1.047 511 K CA 1.597 57.891 56.287 0.013 0.000 0.935 511 K CB -0.036 32.459 32.500 -0.008 0.000 0.728 511 K HN 0.390 nan 8.250 nan 0.000 0.452 512 E N -0.900 119.317 120.200 0.028 0.000 2.230 512 E HA -0.091 4.259 4.350 0.000 0.000 0.192 512 E C 0.367 176.904 176.600 -0.105 0.000 0.987 512 E CA 0.394 56.771 56.400 -0.038 0.000 0.841 512 E CB 0.164 29.832 29.700 -0.054 0.000 0.783 512 E HN 0.358 nan 8.360 nan 0.000 0.481 513 H N -0.400 118.659 119.070 -0.018 0.000 2.660 513 H HA 0.262 4.819 4.556 0.000 0.000 0.310 513 H C 0.073 175.394 175.328 -0.012 0.000 1.080 513 H CA 0.369 56.409 56.048 -0.013 0.000 1.145 513 H CB 0.214 29.969 29.762 -0.012 0.000 1.432 513 H HN 0.185 nan 8.280 nan 0.000 0.542 514 G N 2.063 110.892 108.800 0.048 0.000 2.246 514 G HA2 -0.163 3.797 3.960 0.000 0.000 0.227 514 G HA3 -0.163 3.797 3.960 0.000 0.000 0.227 514 G C -0.029 174.894 174.900 0.038 0.000 0.404 514 G CA 1.257 46.375 45.100 0.030 0.000 1.034 514 G HN 0.588 nan 8.290 nan 0.000 0.425 515 L N -2.126 119.116 121.223 0.032 0.000 2.999 515 L HA 0.773 5.113 4.340 0.000 0.000 0.274 515 L C -0.682 176.191 176.870 0.005 0.000 1.044 515 L CA -1.722 53.129 54.840 0.018 0.000 0.943 515 L CB 1.180 43.252 42.059 0.021 0.000 1.522 515 L HN 0.001 nan 8.230 nan 0.000 0.400 516 K N 1.002 121.400 120.400 -0.002 0.000 2.118 516 K HA 0.228 4.549 4.320 0.000 0.000 0.264 516 K C 0.281 176.872 176.600 -0.016 0.000 1.000 516 K CA -0.661 55.621 56.287 -0.009 0.000 0.929 516 K CB 2.014 34.509 32.500 -0.009 0.000 1.021 516 K HN 0.605 nan 8.250 nan 0.000 0.463 517 K N 1.398 121.786 120.400 -0.020 0.000 2.160 517 K HA -0.129 4.191 4.320 0.000 0.000 0.206 517 K C 1.279 177.863 176.600 -0.027 0.000 1.047 517 K CA 1.833 58.104 56.287 -0.027 0.000 0.930 517 K CB -0.340 32.144 32.500 -0.027 0.000 0.720 517 K HN 0.562 nan 8.250 nan 0.000 0.450 518 S N -1.140 114.547 115.700 -0.021 0.000 2.660 518 S HA 0.060 4.530 4.470 0.000 0.000 0.223 518 S C 1.286 175.875 174.600 -0.018 0.000 0.963 518 S CA 0.471 58.660 58.200 -0.019 0.000 0.932 518 S CB -0.302 62.890 63.200 -0.014 0.000 0.775 518 S HN 0.403 nan 8.310 nan 0.000 0.531 519 N N 0.263 118.951 118.700 -0.020 0.000 2.356 519 N HA 0.348 5.088 4.740 0.000 0.000 0.178 519 N C -0.613 174.881 175.510 -0.026 0.000 1.075 519 N CA 0.088 53.128 53.050 -0.017 0.000 0.889 519 N CB 0.530 39.010 38.487 -0.012 0.000 0.999 519 N HN 0.348 nan 8.380 nan 0.000 0.464 520 L N 0.396 121.594 121.223 -0.042 0.000 2.787 520 L HA 0.312 4.652 4.340 0.000 0.000 0.260 520 L C -2.195 174.625 176.870 -0.083 0.000 0.921 520 L CA -0.360 54.439 54.840 -0.069 0.000 0.984 520 L CB 1.517 43.525 42.059 -0.086 0.000 1.519 520 L HN -0.168 nan 8.230 nan 0.000 0.452 521 Q N 3.853 123.596 119.800 -0.095 0.000 2.331 521 Q HA 0.813 5.153 4.340 0.000 0.000 0.272 521 Q C -1.799 174.127 176.000 -0.124 0.000 1.062 521 Q CA -0.885 54.862 55.803 -0.093 0.000 0.806 521 Q CB 2.237 30.936 28.738 -0.064 0.000 1.312 521 Q HN 0.781 nan 8.270 nan 0.000 0.431 522 L N 1.038 122.184 121.223 -0.129 0.000 2.322 522 L HA 0.678 5.018 4.340 0.000 0.000 0.281 522 L C -0.094 176.717 176.870 -0.098 0.000 1.014 522 L CA -1.255 53.501 54.840 -0.140 0.000 0.815 522 L CB 1.315 43.267 42.059 -0.179 0.000 1.247 522 L HN 0.357 nan 8.230 nan 0.000 0.421 523 R N 1.248 121.697 120.500 -0.084 0.000 2.643 523 R HA 0.042 4.382 4.340 0.000 0.000 0.270 523 R C 0.203 176.469 176.300 -0.056 0.000 1.061 523 R CA -0.388 55.677 56.100 -0.058 0.000 1.107 523 R CB 0.845 31.117 30.300 -0.046 0.000 0.999 523 R HN 0.702 nan 8.270 nan 0.000 0.460 524 D N 1.558 121.932 120.400 -0.043 0.000 2.103 524 D HA -0.226 4.414 4.640 0.000 0.000 0.190 524 D C 1.698 177.976 176.300 -0.036 0.000 0.997 524 D CA 1.593 55.570 54.000 -0.039 0.000 0.833 524 D CB -0.042 40.742 40.800 -0.027 0.000 0.961 524 D HN 0.473 nan 8.370 nan 0.000 0.447 525 Q N 0.471 120.256 119.800 -0.026 0.000 2.197 525 Q HA -0.151 4.190 4.340 0.000 0.000 0.207 525 Q C 1.795 177.783 176.000 -0.021 0.000 0.984 525 Q CA 2.020 57.813 55.803 -0.017 0.000 0.869 525 Q CB -0.491 28.242 28.738 -0.009 0.000 0.906 525 Q HN 0.271 nan 8.270 nan 0.000 0.426 526 A N 0.076 122.872 122.820 -0.040 0.000 1.898 526 A HA -0.107 4.213 4.320 0.000 0.000 0.216 526 A C 2.092 179.636 177.584 -0.066 0.000 1.181 526 A CA 1.310 53.313 52.037 -0.057 0.000 0.620 526 A CB -0.655 18.293 19.000 -0.088 0.000 0.819 526 A HN 0.467 nan 8.150 nan 0.000 0.442 527 I N -0.112 120.414 120.570 -0.074 0.000 2.118 527 I HA -0.278 3.892 4.170 0.000 0.000 0.241 527 I C 2.469 178.557 176.117 -0.048 0.000 1.070 527 I CA 1.204 62.458 61.300 -0.075 0.000 1.327 527 I CB -0.620 37.334 38.000 -0.076 0.000 1.034 527 I HN 0.262 nan 8.210 nan 0.000 0.405 528 L N 0.641 121.843 121.223 -0.036 0.000 1.978 528 L HA -0.307 4.033 4.340 0.000 0.000 0.218 528 L C 2.329 179.202 176.870 0.006 0.000 1.075 528 L CA 2.313 57.136 54.840 -0.029 0.000 0.767 528 L CB -1.374 40.670 42.059 -0.025 0.000 0.890 528 L HN 0.304 nan 8.230 nan 0.000 0.434 529 D N -0.292 120.141 120.400 0.056 0.000 2.104 529 D HA -0.188 4.452 4.640 0.000 0.000 0.194 529 D C 2.268 178.724 176.300 0.260 0.000 0.994 529 D CA 0.955 55.078 54.000 0.205 0.000 0.830 529 D CB -0.166 40.709 40.800 0.124 0.000 0.959 529 D HN 0.308 nan 8.370 nan 0.000 0.452 530 I N 0.565 121.169 120.570 0.058 0.000 2.145 530 I HA -0.301 3.869 4.170 0.000 0.000 0.244 530 I C 2.295 178.520 176.117 0.179 0.000 1.075 530 I CA 0.955 62.240 61.300 -0.025 0.000 1.332 530 I CB -0.277 37.644 38.000 -0.131 0.000 1.033 530 I HN 0.057 nan 8.210 nan 0.000 0.410 531 I N 0.255 120.879 120.570 0.090 0.000 2.110 531 I HA -0.281 3.890 4.170 0.000 0.000 0.236 531 I C 2.748 178.895 176.117 0.050 0.000 1.068 531 I CA 1.455 62.792 61.300 0.062 0.000 1.333 531 I CB -0.484 37.509 38.000 -0.013 0.000 1.054 531 I HN 0.097 nan 8.210 nan 0.000 0.402 532 R N -0.214 120.224 120.500 -0.105 0.000 2.117 532 R HA -0.199 4.141 4.340 0.000 0.000 0.243 532 R C 1.772 177.880 176.300 -0.320 0.000 1.143 532 R CA 1.840 57.665 56.100 -0.458 0.000 0.968 532 R CB -0.254 29.383 30.300 -1.105 0.000 0.863 532 R HN 0.432 nan 8.270 nan 0.000 0.444 533 Y N -3.562 116.839 120.300 0.169 0.000 2.430 533 Y HA 0.153 4.703 4.550 0.000 0.000 0.248 533 Y C 0.423 176.323 175.900 -0.001 0.000 1.108 533 Y CA -0.028 58.151 58.100 0.133 0.000 1.264 533 Y CB 0.732 39.222 38.460 0.049 0.000 1.172 533 Y HN -0.008 nan 8.280 nan 0.000 0.520 534 Y N -0.696 119.788 120.300 0.308 0.000 2.563 534 Y HA 0.285 4.836 4.550 0.000 0.000 0.250 534 Y C 0.375 176.558 175.900 0.471 0.000 1.126 534 Y CA -0.626 57.612 58.100 0.229 0.000 1.231 534 Y CB 0.705 39.230 38.460 0.110 0.000 1.288 534 Y HN -0.136 nan 8.280 nan 0.000 0.537 535 T N -1.653 113.277 114.554 0.626 0.000 3.031 535 T HA 0.488 4.838 4.350 0.000 0.000 0.305 535 T C -0.879 173.750 174.700 -0.119 0.000 0.985 535 T CA -0.826 61.477 62.100 0.338 0.000 1.008 535 T CB 1.769 70.741 68.868 0.174 0.000 1.005 535 T HN 0.196 nan 8.240 nan 0.000 0.444 536 R N 2.966 123.074 120.500 -0.654 0.000 2.664 536 R HA 0.345 4.685 4.340 0.000 0.000 0.281 536 R C 0.044 176.158 176.300 -0.311 0.000 1.383 536 R CA -0.388 55.378 56.100 -0.556 0.000 1.563 536 R CB 0.329 30.142 30.300 -0.811 0.000 1.131 536 R HN 0.893 nan 8.270 nan 0.000 0.599 537 E N 0.458 120.573 120.200 -0.143 0.000 2.378 537 E HA 0.520 4.871 4.350 0.000 0.000 0.265 537 E C -0.596 175.983 176.600 -0.034 0.000 0.932 537 E CA -0.885 55.473 56.400 -0.069 0.000 0.795 537 E CB 1.737 31.430 29.700 -0.012 0.000 1.296 537 E HN 0.177 nan 8.360 nan 0.000 0.438 538 A N 1.211 124.020 122.820 -0.019 0.000 2.063 538 A HA 0.316 4.636 4.320 0.000 0.000 0.211 538 A C 1.140 178.771 177.584 0.079 0.000 1.177 538 A CA 0.830 52.868 52.037 0.003 0.000 0.759 538 A CB -0.366 18.602 19.000 -0.053 0.000 0.857 538 A HN 0.615 nan 8.150 nan 0.000 0.468 539 G N -0.755 108.092 108.800 0.079 0.000 2.546 539 G HA2 0.369 4.330 3.960 0.000 0.000 0.239 539 G HA3 0.369 4.330 3.960 0.000 0.000 0.239 539 G C 0.484 175.474 174.900 0.151 0.000 1.476 539 G CA 0.809 46.005 45.100 0.158 0.000 1.064 539 G HN 0.932 nan 8.290 nan 0.000 0.561 540 V N -2.814 117.162 119.914 0.103 0.000 3.070 540 V HA 0.452 4.572 4.120 0.000 0.000 0.355 540 V C 1.564 177.673 176.094 0.026 0.000 1.400 540 V CA 0.017 62.336 62.300 0.030 0.000 1.170 540 V CB 0.014 31.804 31.823 -0.055 0.000 1.169 540 V HN 0.617 nan 8.190 nan 0.000 0.554 541 R N 0.855 121.381 120.500 0.043 0.000 2.061 541 R HA -0.070 4.270 4.340 0.000 0.000 0.230 541 R C 2.466 178.792 176.300 0.045 0.000 1.140 541 R CA 1.926 58.050 56.100 0.040 0.000 0.940 541 R CB -0.512 29.813 30.300 0.043 0.000 0.839 541 R HN 0.514 nan 8.270 nan 0.000 0.429 542 S N 0.387 116.123 115.700 0.059 0.000 2.387 542 S HA -0.149 4.321 4.470 0.000 0.000 0.230 542 S C 1.822 176.466 174.600 0.074 0.000 1.035 542 S CA 1.248 59.498 58.200 0.084 0.000 1.014 542 S CB -0.269 63.002 63.200 0.118 0.000 0.836 542 S HN 0.389 nan 8.310 nan 0.000 0.466 543 L N 0.658 121.912 121.223 0.050 0.000 2.093 543 L HA -0.067 4.273 4.340 0.000 0.000 0.208 543 L C 2.628 179.499 176.870 0.002 0.000 1.085 543 L CA 1.634 56.488 54.840 0.023 0.000 0.755 543 L CB -0.394 41.661 42.059 -0.006 0.000 0.904 543 L HN 0.456 nan 8.230 nan 0.000 0.435 544 E N -0.260 119.944 120.200 0.007 0.000 2.072 544 E HA -0.234 4.116 4.350 0.000 0.000 0.191 544 E C 2.278 178.887 176.600 0.015 0.000 0.985 544 E CA 0.825 57.227 56.400 0.004 0.000 0.801 544 E CB 0.124 29.831 29.700 0.011 0.000 0.750 544 E HN 0.383 nan 8.360 nan 0.000 0.452 545 R N 0.065 120.583 120.500 0.031 0.000 2.091 545 R HA -0.138 4.202 4.340 0.000 0.000 0.238 545 R C 2.483 178.798 176.300 0.026 0.000 1.136 545 R CA 1.397 57.521 56.100 0.040 0.000 0.959 545 R CB -0.041 30.290 30.300 0.052 0.000 0.856 545 R HN 0.204 nan 8.270 nan 0.000 0.437 546 Q N 0.337 120.147 119.800 0.018 0.000 2.172 546 Q HA -0.082 4.258 4.340 0.000 0.000 0.200 546 Q C 2.269 178.231 176.000 -0.062 0.000 0.964 546 Q CA 0.929 56.725 55.803 -0.012 0.000 0.855 546 Q CB -0.013 28.717 28.738 -0.013 0.000 0.918 546 Q HN 0.398 nan 8.270 nan 0.000 0.444 547 L N 0.171 121.356 121.223 -0.063 0.000 1.970 547 L HA -0.226 4.114 4.340 0.000 0.000 0.212 547 L C 2.517 179.316 176.870 -0.117 0.000 1.071 547 L CA 1.375 56.156 54.840 -0.099 0.000 0.751 547 L CB -0.728 41.285 42.059 -0.076 0.000 0.889 547 L HN 0.144 nan 8.230 nan 0.000 0.432 548 A N -0.104 122.675 122.820 -0.068 0.000 1.873 548 A HA -0.300 4.020 4.320 0.000 0.000 0.218 548 A C 2.526 180.019 177.584 -0.151 0.000 1.193 548 A CA 2.194 54.167 52.037 -0.107 0.000 0.629 548 A CB -1.051 18.017 19.000 0.113 0.000 0.826 548 A HN 0.474 nan 8.150 nan 0.000 0.447 549 A N 0.079 122.872 122.820 -0.045 0.000 1.916 549 A HA -0.313 4.007 4.320 0.000 0.000 0.224 549 A C 2.126 179.687 177.584 -0.039 0.000 1.366 549 A CA 2.355 54.381 52.037 -0.018 0.000 0.692 549 A CB -0.998 18.003 19.000 0.002 0.000 0.841 549 A HN 0.638 nan 8.150 nan 0.000 0.480 550 I N -1.432 119.085 120.570 -0.088 0.000 2.193 550 I HA -0.255 3.915 4.170 0.000 0.000 0.240 550 I C 2.593 178.606 176.117 -0.174 0.000 1.084 550 I CA 1.092 62.329 61.300 -0.106 0.000 1.365 550 I CB -0.976 36.862 38.000 -0.269 0.000 1.064 550 I HN 0.430 nan 8.210 nan 0.000 0.410 551 C N 0.906 120.020 119.300 -0.310 0.000 2.385 551 C HA -0.252 4.208 4.460 0.000 0.000 0.275 551 C C 3.043 177.796 174.990 -0.396 0.000 1.199 551 C CA 1.451 60.202 59.018 -0.446 0.000 1.782 551 C CB -1.267 25.984 27.740 -0.815 0.000 2.068 551 C HN 0.422 nan 8.230 nan 0.000 0.471 552 R N 0.534 120.807 120.500 -0.378 0.000 2.082 552 R HA -0.112 4.228 4.340 0.000 0.000 0.228 552 R C 2.517 178.820 176.300 0.006 0.000 1.140 552 R CA 1.403 57.453 56.100 -0.082 0.000 0.920 552 R CB -0.350 29.954 30.300 0.007 0.000 0.828 552 R HN 0.297 nan 8.270 nan 0.000 0.430 553 K N 0.338 120.764 120.400 0.044 0.000 2.107 553 K HA -0.242 4.078 4.320 0.000 0.000 0.211 553 K C 1.863 178.535 176.600 0.121 0.000 1.049 553 K CA 1.882 58.229 56.287 0.101 0.000 0.927 553 K CB -0.474 32.166 32.500 0.232 0.000 0.714 553 K HN 0.300 nan 8.250 nan 0.000 0.452 554 A N 0.777 123.669 122.820 0.120 0.000 1.859 554 A HA -0.191 4.129 4.320 0.000 0.000 0.217 554 A C 2.409 180.023 177.584 0.051 0.000 1.198 554 A CA 2.872 54.963 52.037 0.090 0.000 0.629 554 A CB -1.036 17.962 19.000 -0.005 0.000 0.830 554 A HN 0.420 nan 8.150 nan 0.000 0.446 555 A N -0.463 122.374 122.820 0.029 0.000 1.884 555 A HA -0.273 4.047 4.320 0.000 0.000 0.219 555 A C 2.182 179.786 177.584 0.033 0.000 1.197 555 A CA 2.383 54.441 52.037 0.035 0.000 0.637 555 A CB -0.639 18.394 19.000 0.054 0.000 0.827 555 A HN 0.454 nan 8.150 nan 0.000 0.450 556 K N -0.119 120.300 120.400 0.033 0.000 2.173 556 K HA -0.215 4.105 4.320 0.000 0.000 0.207 556 K C 2.120 178.730 176.600 0.015 0.000 1.046 556 K CA 1.602 57.901 56.287 0.021 0.000 0.929 556 K CB -0.491 32.017 32.500 0.014 0.000 0.720 556 K HN 0.447 nan 8.250 nan 0.000 0.453 557 A N 1.820 124.653 122.820 0.022 0.000 1.835 557 A HA -0.152 4.169 4.320 0.000 0.000 0.215 557 A C 2.012 179.606 177.584 0.016 0.000 1.199 557 A CA 1.583 53.631 52.037 0.018 0.000 0.615 557 A CB -0.565 18.455 19.000 0.034 0.000 0.838 557 A HN 0.299 nan 8.150 nan 0.000 0.444 558 I N 0.300 120.883 120.570 0.021 0.000 2.479 558 I HA -0.207 3.963 4.170 0.000 0.000 0.258 558 I C 2.227 178.350 176.117 0.012 0.000 1.165 558 I CA 1.298 62.607 61.300 0.015 0.000 1.422 558 I CB -1.648 36.362 38.000 0.016 0.000 1.087 558 I HN 0.154 nan 8.210 nan 0.000 0.441 559 V N 0.664 120.585 119.914 0.012 0.000 2.374 559 V HA 0.037 4.157 4.120 0.000 0.000 0.241 559 V C 2.496 178.593 176.094 0.005 0.000 1.034 559 V CA 1.285 63.590 62.300 0.009 0.000 1.037 559 V CB -0.879 30.950 31.823 0.010 0.000 0.682 559 V HN 0.410 nan 8.190 nan 0.000 0.463 560 A N 0.584 123.407 122.820 0.004 0.000 2.010 560 A HA -0.164 4.156 4.320 0.000 0.000 0.204 560 A C 1.968 179.552 177.584 -0.000 0.000 1.364 560 A CA 1.506 53.543 52.037 0.000 0.000 0.622 560 A CB -0.998 18.000 19.000 -0.003 0.000 0.983 560 A HN 0.480 nan 8.150 nan 0.000 0.491 561 E N -1.128 119.071 120.200 -0.001 0.000 2.236 561 E HA -0.250 4.100 4.350 0.000 0.000 0.205 561 E C 0.753 177.354 176.600 0.001 0.000 1.028 561 E CA 1.661 58.060 56.400 -0.001 0.000 0.827 561 E CB -0.229 29.471 29.700 -0.001 0.000 0.735 561 E HN 0.684 nan 8.360 nan 0.000 0.470 562 E N -1.804 118.399 120.200 0.004 0.000 4.129 562 E HA -0.294 4.057 4.350 0.000 0.000 0.360 562 E C -0.388 176.215 176.600 0.005 0.000 0.598 562 E CA 0.852 57.254 56.400 0.004 0.000 1.308 562 E CB -1.215 28.486 29.700 0.002 0.000 1.777 562 E HN 0.437 nan 8.360 nan 0.000 0.397 563 R N 1.843 122.346 120.500 0.006 0.000 2.504 563 R HA -0.087 4.253 4.340 0.000 0.000 0.302 563 R C 0.657 176.961 176.300 0.007 0.000 0.893 563 R CA 0.962 57.066 56.100 0.006 0.000 1.138 563 R CB 0.100 30.406 30.300 0.010 0.000 0.880 563 R HN 0.107 nan 8.270 nan 0.000 0.415 564 K N 1.930 122.332 120.400 0.003 0.000 2.504 564 K HA -0.065 4.256 4.320 0.000 0.000 0.195 564 K C 0.350 176.950 176.600 -0.000 0.000 1.036 564 K CA 0.518 56.805 56.287 0.001 0.000 0.984 564 K CB 0.217 32.716 32.500 -0.001 0.000 0.788 564 K HN 0.557 nan 8.250 nan 0.000 0.488 565 R N 0.607 121.109 120.500 0.003 0.000 2.698 565 R HA 0.369 4.709 4.340 0.000 0.000 0.275 565 R C -1.723 174.583 176.300 0.010 0.000 1.001 565 R CA -0.528 55.572 56.100 -0.000 0.000 0.896 565 R CB 1.272 31.570 30.300 -0.004 0.000 1.218 565 R HN 0.014 nan 8.270 nan 0.000 0.462 566 I N 2.500 123.072 120.570 0.004 0.000 2.534 566 I HA 0.187 4.357 4.170 0.000 0.000 0.286 566 I C -0.808 175.299 176.117 -0.018 0.000 1.094 566 I CA -0.517 60.798 61.300 0.025 0.000 1.055 566 I CB 2.682 40.709 38.000 0.046 0.000 1.225 566 I HN 0.532 nan 8.210 nan 0.000 0.435 567 T N 5.736 120.289 114.554 -0.002 0.000 2.893 567 T HA 0.210 4.560 4.350 0.000 0.000 0.324 567 T C -0.353 174.316 174.700 -0.052 0.000 1.082 567 T CA -0.256 61.819 62.100 -0.042 0.000 0.983 567 T CB 1.267 70.122 68.868 -0.023 0.000 1.005 567 T HN 0.338 nan 8.240 nan 0.000 0.475 568 V N 4.494 124.303 119.914 -0.176 0.000 2.530 568 V HA 0.663 4.783 4.120 0.000 0.000 0.282 568 V C 0.179 176.198 176.094 -0.125 0.000 1.048 568 V CA 0.482 62.640 62.300 -0.236 0.000 0.997 568 V CB 1.220 32.669 31.823 -0.623 0.000 0.987 568 V HN 0.825 nan 8.190 nan 0.000 0.477 569 T N 3.260 117.787 114.554 -0.045 0.000 2.883 569 T HA 0.380 4.730 4.350 0.000 0.000 0.284 569 T C 0.961 175.647 174.700 -0.024 0.000 1.041 569 T CA 0.120 62.200 62.100 -0.033 0.000 1.007 569 T CB 1.702 70.566 68.868 -0.008 0.000 1.220 569 T HN 0.884 nan 8.240 nan 0.000 0.552 570 E N 0.549 120.735 120.200 -0.023 0.000 2.401 570 E HA -0.072 4.278 4.350 0.000 0.000 0.199 570 E C 1.066 177.659 176.600 -0.012 0.000 1.023 570 E CA 0.703 57.090 56.400 -0.021 0.000 0.859 570 E CB 0.127 29.815 29.700 -0.019 0.000 0.780 570 E HN 0.228 nan 8.360 nan 0.000 0.523 571 K N 0.917 121.318 120.400 0.001 0.000 2.287 571 K HA 0.111 4.431 4.320 0.000 0.000 0.199 571 K C 1.482 178.102 176.600 0.033 0.000 1.061 571 K CA 0.575 56.867 56.287 0.008 0.000 0.976 571 K CB -0.347 32.157 32.500 0.005 0.000 0.898 571 K HN 0.129 nan 8.250 nan 0.000 0.492 572 N N 1.562 120.301 118.700 0.065 0.000 2.205 572 N HA -0.155 4.585 4.740 0.000 0.000 0.186 572 N C 1.584 177.217 175.510 0.205 0.000 1.015 572 N CA 0.417 53.557 53.050 0.150 0.000 0.862 572 N CB -0.128 38.514 38.487 0.259 0.000 0.986 572 N HN -0.079 nan 8.380 nan 0.000 0.429 573 L N 1.728 123.022 121.223 0.118 0.000 2.064 573 L HA -0.304 4.036 4.340 0.000 0.000 0.216 573 L C 1.915 178.865 176.870 0.133 0.000 1.077 573 L CA 1.784 56.677 54.840 0.090 0.000 0.766 573 L CB -0.583 41.457 42.059 -0.031 0.000 0.890 573 L HN 0.285 nan 8.230 nan 0.000 0.435 574 Q N -1.188 118.673 119.800 0.100 0.000 2.226 574 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 574 Q C 0.862 176.881 176.000 0.033 0.000 0.975 574 Q CA 1.381 57.235 55.803 0.085 0.000 0.866 574 Q CB -0.279 28.489 28.738 0.049 0.000 0.915 574 Q HN 0.529 nan 8.270 nan 0.000 0.440 575 D N -0.889 119.505 120.400 -0.011 0.000 2.332 575 D HA 0.038 4.679 4.640 0.000 0.000 0.244 575 D C 0.169 176.171 176.300 -0.496 0.000 1.136 575 D CA 0.544 54.407 54.000 -0.227 0.000 0.884 575 D CB 0.068 40.688 40.800 -0.299 0.000 0.906 575 D HN 0.224 nan 8.370 nan 0.000 0.520 576 F N -0.888 119.035 119.950 -0.046 0.000 2.244 576 F HA 0.205 4.733 4.527 0.000 0.000 0.272 576 F C 1.642 177.407 175.800 -0.058 0.000 0.882 576 F CA -0.242 57.721 58.000 -0.062 0.000 1.101 576 F CB 0.382 39.328 39.000 -0.090 0.000 1.097 576 F HN -0.149 nan 8.300 nan 0.000 0.762 577 I N -1.588 119.061 120.570 0.131 0.000 4.025 577 I HA 0.729 4.899 4.170 0.000 0.000 0.336 577 I C 0.738 176.949 176.117 0.156 0.000 1.390 577 I CA 0.277 61.615 61.300 0.064 0.000 1.099 577 I CB 0.085 38.011 38.000 -0.124 0.000 1.049 577 I HN 0.237 nan 8.210 nan 0.000 0.394 578 G N 2.566 111.450 108.800 0.139 0.000 2.548 578 G HA2 -0.176 3.784 3.960 0.000 0.000 0.208 578 G HA3 -0.176 3.784 3.960 0.000 0.000 0.208 578 G C -0.669 174.336 174.900 0.174 0.000 1.308 578 G CA -0.281 44.896 45.100 0.128 0.000 0.924 578 G HN 0.502 nan 8.290 nan 0.000 0.540 579 K N 0.623 121.071 120.400 0.081 0.000 2.127 579 K HA 0.782 5.103 4.320 0.000 0.000 0.240 579 K C 0.787 177.313 176.600 -0.123 0.000 1.024 579 K CA -0.876 55.422 56.287 0.018 0.000 0.918 579 K CB 0.365 32.844 32.500 -0.035 0.000 1.108 579 K HN 0.593 nan 8.250 nan 0.000 0.485 580 R N 0.419 120.783 120.500 -0.226 0.000 2.756 580 R HA 0.049 4.389 4.340 0.000 0.000 0.264 580 R C 0.656 176.661 176.300 -0.492 0.000 1.026 580 R CA 0.320 56.123 56.100 -0.495 0.000 1.121 580 R CB -0.108 30.053 30.300 -0.231 0.000 0.999 580 R HN 0.763 nan 8.270 nan 0.000 0.449 581 I N 0.124 120.302 120.570 -0.654 0.000 4.338 581 I HA 0.121 4.292 4.170 0.000 0.000 0.315 581 I C -0.215 175.468 176.117 -0.723 0.000 1.262 581 I CA 0.337 61.213 61.300 -0.706 0.000 1.298 581 I CB 0.490 37.943 38.000 -0.911 0.000 1.257 581 I HN 0.264 nan 8.210 nan 0.000 0.444 582 F N 0.461 120.363 119.950 -0.080 0.000 2.593 582 F HA 0.522 5.050 4.527 0.000 0.000 0.320 582 F C 0.294 176.109 175.800 0.025 0.000 1.060 582 F CA -0.904 57.082 58.000 -0.024 0.000 0.940 582 F CB 0.849 39.833 39.000 -0.027 0.000 1.268 582 F HN -0.342 nan 8.300 nan 0.000 0.475 583 R N 0.235 120.866 120.500 0.219 0.000 2.528 583 R HA 0.350 4.690 4.340 0.000 0.000 0.271 583 R C -1.440 174.928 176.300 0.115 0.000 1.056 583 R CA -0.600 55.597 56.100 0.160 0.000 1.117 583 R CB 0.722 31.082 30.300 0.099 0.000 1.085 583 R HN 0.749 nan 8.270 nan 0.000 0.530 584 Y N 0.436 120.683 120.300 -0.089 0.000 2.497 584 Y HA 0.426 4.976 4.550 0.000 0.000 0.333 584 Y C -0.516 175.309 175.900 -0.124 0.000 1.046 584 Y CA 0.097 58.069 58.100 -0.213 0.000 1.160 584 Y CB 0.733 38.874 38.460 -0.532 0.000 1.123 584 Y HN 0.833 nan 8.280 nan 0.000 0.638 585 G N 1.121 109.796 108.800 -0.209 0.000 2.327 585 G HA2 0.175 4.135 3.960 0.000 0.000 0.291 585 G HA3 0.175 4.135 3.960 0.000 0.000 0.291 585 G C -1.336 173.508 174.900 -0.093 0.000 1.290 585 G CA -0.724 44.283 45.100 -0.155 0.000 0.857 585 G HN -0.035 nan 8.290 nan 0.000 0.520 586 Q N -0.420 119.346 119.800 -0.057 0.000 2.158 586 Q HA 0.508 4.848 4.340 0.000 0.000 0.306 586 Q C 1.401 177.395 176.000 -0.011 0.000 0.878 586 Q CA 0.299 56.080 55.803 -0.038 0.000 1.136 586 Q CB 0.755 29.465 28.738 -0.048 0.000 1.253 586 Q HN 0.784 nan 8.270 nan 0.000 0.441 587 A N 1.897 124.721 122.820 0.008 0.000 1.824 587 A HA -0.199 4.122 4.320 0.000 0.000 0.215 587 A C 2.004 179.596 177.584 0.014 0.000 1.209 587 A CA 1.781 53.829 52.037 0.019 0.000 0.614 587 A CB -0.269 18.755 19.000 0.040 0.000 0.852 587 A HN 0.409 nan 8.150 nan 0.000 0.447 588 E N 1.064 121.275 120.200 0.018 0.000 2.047 588 E HA -0.115 4.235 4.350 0.000 0.000 0.191 588 E C 0.808 177.412 176.600 0.007 0.000 0.987 588 E CA 1.341 57.749 56.400 0.014 0.000 0.799 588 E CB -1.694 28.017 29.700 0.018 0.000 0.752 588 E HN 0.528 nan 8.360 nan 0.000 0.449 589 T N 0.052 114.608 114.554 0.003 0.000 2.817 589 T HA 0.355 4.705 4.350 0.000 0.000 0.295 589 T C -0.198 174.499 174.700 -0.005 0.000 0.958 589 T CA -0.441 61.657 62.100 -0.002 0.000 1.157 589 T CB 1.205 70.067 68.868 -0.009 0.000 0.898 589 T HN 0.029 nan 8.240 nan 0.000 0.536 590 E N 1.785 121.982 120.200 -0.004 0.000 2.299 590 E HA 0.414 4.764 4.350 0.000 0.000 0.265 590 E C -0.914 175.683 176.600 -0.005 0.000 0.911 590 E CA -0.878 55.519 56.400 -0.005 0.000 0.789 590 E CB 1.365 31.064 29.700 -0.002 0.000 1.246 590 E HN 0.757 nan 8.360 nan 0.000 0.427 591 D N 1.314 121.711 120.400 -0.006 0.000 2.472 591 D HA 0.147 4.788 4.640 0.000 0.000 0.237 591 D C -0.223 176.074 176.300 -0.005 0.000 1.141 591 D CA 0.617 54.613 54.000 -0.006 0.000 0.875 591 D CB 0.576 41.372 40.800 -0.007 0.000 1.192 591 D HN 0.135 nan 8.370 nan 0.000 0.450 592 Q N 0.250 120.047 119.800 -0.004 0.000 2.572 592 Q HA 0.691 5.031 4.340 0.000 0.000 0.284 592 Q C -1.477 174.521 176.000 -0.003 0.000 1.091 592 Q CA -0.948 54.853 55.803 -0.002 0.000 0.840 592 Q CB 2.031 30.769 28.738 -0.000 0.000 1.433 592 Q HN 0.332 nan 8.270 nan 0.000 0.471 593 V N 0.416 120.328 119.914 -0.003 0.000 2.555 593 V HA 0.608 4.728 4.120 0.000 0.000 0.302 593 V C 0.534 176.627 176.094 -0.003 0.000 1.038 593 V CA -0.298 61.999 62.300 -0.005 0.000 0.887 593 V CB 1.145 32.963 31.823 -0.008 0.000 0.991 593 V HN 0.963 nan 8.190 nan 0.000 0.434 594 G N 3.104 111.901 108.800 -0.004 0.000 2.379 594 G HA2 -0.165 3.796 3.960 0.000 0.000 0.297 594 G HA3 -0.165 3.796 3.960 0.000 0.000 0.297 594 G C -0.134 174.773 174.900 0.011 0.000 1.004 594 G CA 0.655 45.756 45.100 0.001 0.000 0.921 594 G HN 1.041 nan 8.290 nan 0.000 0.511 595 V N -0.334 119.585 119.914 0.008 0.000 2.555 595 V HA 0.444 4.564 4.120 0.000 0.000 0.283 595 V C 0.106 176.202 176.094 0.004 0.000 1.020 595 V CA -0.740 61.567 62.300 0.011 0.000 0.883 595 V CB 1.844 33.674 31.823 0.013 0.000 1.030 595 V HN 0.331 nan 8.190 nan 0.000 0.448 596 V N 2.741 122.656 119.914 0.002 0.000 2.850 596 V HA 0.611 4.731 4.120 0.000 0.000 0.315 596 V C 0.348 176.436 176.094 -0.011 0.000 1.064 596 V CA -0.576 61.722 62.300 -0.004 0.000 0.979 596 V CB 2.323 34.144 31.823 -0.003 0.000 1.039 596 V HN 0.795 nan 8.190 nan 0.000 0.452 597 T N 2.296 116.840 114.554 -0.016 0.000 2.874 597 T HA 0.520 4.870 4.350 0.000 0.000 0.321 597 T C 0.313 175.000 174.700 -0.022 0.000 1.075 597 T CA -0.290 61.797 62.100 -0.023 0.000 0.966 597 T CB 0.788 69.639 68.868 -0.028 0.000 1.001 597 T HN 0.999 nan 8.240 nan 0.000 0.476 598 G N 3.311 112.098 108.800 -0.022 0.000 2.356 598 G HA2 0.541 4.501 3.960 0.000 0.000 0.298 598 G HA3 0.541 4.501 3.960 0.000 0.000 0.298 598 G C -0.381 174.510 174.900 -0.014 0.000 1.145 598 G CA -0.733 44.358 45.100 -0.016 0.000 0.850 598 G HN 0.521 nan 8.290 nan 0.000 0.487 599 L N 1.529 122.749 121.223 -0.004 0.000 2.319 599 L HA 0.588 4.928 4.340 0.000 0.000 0.280 599 L C 0.698 177.581 176.870 0.022 0.000 1.099 599 L CA -0.594 54.248 54.840 0.004 0.000 0.828 599 L CB 0.151 42.219 42.059 0.016 0.000 1.150 599 L HN 0.624 nan 8.230 nan 0.000 0.442 600 A N 3.669 126.503 122.820 0.022 0.000 2.423 600 A HA 0.576 4.897 4.320 0.000 0.000 0.304 600 A C -1.442 176.193 177.584 0.085 0.000 1.104 600 A CA -0.517 51.550 52.037 0.051 0.000 0.757 600 A CB 1.181 20.196 19.000 0.024 0.000 1.313 600 A HN 0.553 nan 8.150 nan 0.000 0.423 601 Y N 1.790 122.079 120.300 -0.018 0.000 2.700 601 Y HA 0.428 4.979 4.550 0.000 0.000 0.333 601 Y C 0.247 176.137 175.900 -0.017 0.000 1.036 601 Y CA -0.046 58.044 58.100 -0.017 0.000 1.287 601 Y CB 0.314 38.765 38.460 -0.016 0.000 1.132 601 Y HN 0.620 nan 8.280 nan 0.000 0.510 602 T N 2.459 116.946 114.554 -0.112 0.000 2.913 602 T HA 0.004 4.354 4.350 0.000 0.000 0.297 602 T C 1.562 176.161 174.700 -0.168 0.000 1.029 602 T CA 0.410 62.459 62.100 -0.085 0.000 1.104 602 T CB 1.203 70.018 68.868 -0.090 0.000 0.964 602 T HN 0.749 nan 8.240 nan 0.000 0.532 603 T N -0.796 113.732 114.554 -0.044 0.000 2.946 603 T HA -0.147 4.203 4.350 0.000 0.000 0.270 603 T C 1.205 175.846 174.700 -0.099 0.000 1.129 603 T CA 1.465 63.545 62.100 -0.033 0.000 1.103 603 T CB -0.557 68.317 68.868 0.010 0.000 0.839 603 T HN 0.587 nan 8.240 nan 0.000 0.544 604 V N -2.775 117.060 119.914 -0.132 0.000 2.991 604 V HA 0.783 4.903 4.120 0.000 0.000 0.355 604 V C 0.604 176.598 176.094 -0.167 0.000 1.384 604 V CA -0.048 62.179 62.300 -0.121 0.000 1.171 604 V CB -0.531 31.250 31.823 -0.069 0.000 1.190 604 V HN 0.939 nan 8.190 nan 0.000 0.540 605 G N -0.197 108.433 108.800 -0.284 0.000 2.362 605 G HA2 0.317 4.278 3.960 0.000 0.000 0.517 605 G HA3 0.317 4.278 3.960 0.000 0.000 0.517 605 G C 0.114 174.843 174.900 -0.285 0.000 1.256 605 G CA -0.188 44.736 45.100 -0.294 0.000 1.027 605 G HN 1.473 nan 8.290 nan 0.000 0.491 606 G N -0.212 108.478 108.800 -0.184 0.000 2.398 606 G HA2 0.497 4.457 3.960 0.000 0.000 0.246 606 G HA3 0.497 4.457 3.960 0.000 0.000 0.246 606 G C -0.538 174.305 174.900 -0.094 0.000 1.289 606 G CA 1.118 46.152 45.100 -0.111 0.000 0.869 606 G HN 0.735 nan 8.290 nan 0.000 0.543 607 D N -0.774 119.584 120.400 -0.069 0.000 2.559 607 D HA 0.610 5.251 4.640 0.000 0.000 0.250 607 D C -0.248 176.023 176.300 -0.047 0.000 1.135 607 D CA -0.469 53.493 54.000 -0.063 0.000 0.955 607 D CB 1.855 42.618 40.800 -0.062 0.000 1.442 607 D HN 0.294 nan 8.370 nan 0.000 0.471 608 T N 0.470 114.994 114.554 -0.050 0.000 3.401 608 T HA 0.456 4.807 4.350 0.000 0.000 0.341 608 T C 0.124 174.800 174.700 -0.040 0.000 1.674 608 T CA -0.623 61.450 62.100 -0.045 0.000 1.600 608 T CB -0.514 68.321 68.868 -0.056 0.000 0.974 608 T HN 0.161 nan 8.240 nan 0.000 0.672 609 L N 1.498 122.697 121.223 -0.039 0.000 2.349 609 L HA 0.550 4.891 4.340 0.000 0.000 0.275 609 L C 0.299 177.139 176.870 -0.049 0.000 1.115 609 L CA -0.647 54.165 54.840 -0.048 0.000 0.820 609 L CB 0.815 42.840 42.059 -0.056 0.000 1.135 609 L HN 0.397 nan 8.230 nan 0.000 0.445 610 S N 3.702 119.371 115.700 -0.052 0.000 2.437 610 S HA 0.597 5.067 4.470 0.000 0.000 0.305 610 S C -0.167 174.397 174.600 -0.060 0.000 1.109 610 S CA -0.579 57.597 58.200 -0.040 0.000 1.099 610 S CB 1.360 64.550 63.200 -0.016 0.000 1.004 610 S HN 0.346 nan 8.310 nan 0.000 0.475 611 I N 2.885 123.429 120.570 -0.043 0.000 2.385 611 I HA 0.356 4.526 4.170 0.000 0.000 0.294 611 I C 0.298 176.424 176.117 0.016 0.000 0.988 611 I CA -0.319 60.959 61.300 -0.036 0.000 1.265 611 I CB 1.109 39.096 38.000 -0.022 0.000 1.388 611 I HN 0.583 nan 8.210 nan 0.000 0.480 612 E N 4.821 125.058 120.200 0.061 0.000 2.312 612 E HA 0.696 5.046 4.350 0.000 0.000 0.267 612 E C -1.489 175.167 176.600 0.093 0.000 0.894 612 E CA -0.861 55.588 56.400 0.081 0.000 0.773 612 E CB 3.106 32.873 29.700 0.111 0.000 1.241 612 E HN 0.234 nan 8.360 nan 0.000 0.432 613 V N 0.812 120.768 119.914 0.070 0.000 2.760 613 V HA 0.511 4.631 4.120 0.000 0.000 0.309 613 V C -0.603 175.527 176.094 0.060 0.000 1.077 613 V CA -0.787 61.559 62.300 0.078 0.000 0.910 613 V CB 1.832 33.693 31.823 0.064 0.000 1.008 613 V HN 0.610 nan 8.190 nan 0.000 0.424 614 S N 3.709 119.465 115.700 0.093 0.000 2.536 614 S HA 0.822 5.292 4.470 0.000 0.000 0.298 614 S C -1.116 173.523 174.600 0.065 0.000 1.083 614 S CA -0.575 57.664 58.200 0.066 0.000 0.995 614 S CB 1.297 64.534 63.200 0.061 0.000 1.058 614 S HN 0.629 nan 8.310 nan 0.000 0.488 615 L N 3.397 124.601 121.223 -0.032 0.000 2.294 615 L HA 0.570 4.910 4.340 0.000 0.000 0.283 615 L C -0.184 176.625 176.870 -0.103 0.000 1.015 615 L CA -0.430 54.318 54.840 -0.154 0.000 0.831 615 L CB 1.666 43.487 42.059 -0.397 0.000 1.217 615 L HN 0.600 nan 8.230 nan 0.000 0.420 616 S N 4.710 120.409 115.700 -0.001 0.000 2.521 616 S HA 0.650 5.120 4.470 0.000 0.000 0.295 616 S C -2.600 172.074 174.600 0.123 0.000 1.098 616 S CA -1.503 56.739 58.200 0.069 0.000 0.999 616 S CB 1.949 65.241 63.200 0.153 0.000 1.034 616 S HN 0.191 nan 8.310 nan 0.000 0.483 617 P HA 0.376 nan 4.420 nan 0.000 0.267 617 P C 0.626 178.030 177.300 0.173 0.000 1.195 617 P CA 0.792 64.037 63.100 0.241 0.000 0.773 617 P CB 0.342 32.143 31.700 0.168 0.000 0.837 618 G N 0.480 109.376 108.800 0.160 0.000 2.384 618 G HA2 0.041 4.002 3.960 0.000 0.000 0.113 618 G HA3 0.041 4.002 3.960 0.000 0.000 0.113 618 G C -1.309 173.643 174.900 0.087 0.000 1.224 618 G CA -0.472 44.690 45.100 0.104 0.000 1.126 618 G HN 0.572 nan 8.290 nan 0.000 0.461 619 K N -0.150 120.295 120.400 0.075 0.000 2.295 619 K HA 0.558 4.878 4.320 0.000 0.000 0.239 619 K C 1.439 178.092 176.600 0.088 0.000 0.991 619 K CA -0.111 56.213 56.287 0.063 0.000 0.845 619 K CB 1.728 34.250 32.500 0.038 0.000 1.197 619 K HN 0.658 nan 8.250 nan 0.000 0.441 620 G N 1.175 110.037 108.800 0.103 0.000 2.516 620 G HA2 -0.225 3.736 3.960 0.000 0.000 0.221 620 G HA3 -0.225 3.736 3.960 0.000 0.000 0.221 620 G C 0.556 175.493 174.900 0.061 0.000 1.107 620 G CA 0.783 45.985 45.100 0.170 0.000 0.747 620 G HN 0.452 nan 8.290 nan 0.000 0.567 621 K N 0.428 120.826 120.400 -0.004 0.000 2.518 621 K HA 0.211 4.532 4.320 0.000 0.000 0.276 621 K C 0.054 176.572 176.600 -0.136 0.000 0.974 621 K CA 0.082 56.320 56.287 -0.082 0.000 0.986 621 K CB 0.153 32.623 32.500 -0.050 0.000 0.901 621 K HN 0.275 nan 8.250 nan 0.000 0.497 622 L N 3.567 124.663 121.223 -0.213 0.000 2.406 622 L HA 0.594 4.935 4.340 0.000 0.000 0.272 622 L C -0.997 175.773 176.870 -0.165 0.000 0.980 622 L CA -0.916 53.790 54.840 -0.223 0.000 0.831 622 L CB 1.428 43.299 42.059 -0.312 0.000 1.253 622 L HN 0.673 nan 8.230 nan 0.000 0.406 623 I N 5.254 125.727 120.570 -0.162 0.000 2.377 623 I HA 0.511 4.681 4.170 0.000 0.000 0.293 623 I C -1.076 175.062 176.117 0.035 0.000 0.987 623 I CA -0.907 60.366 61.300 -0.045 0.000 1.185 623 I CB 1.605 39.614 38.000 0.015 0.000 1.341 623 I HN 0.722 nan 8.210 nan 0.000 0.455 624 L N 5.513 126.766 121.223 0.049 0.000 2.330 624 L HA 0.781 5.121 4.340 0.000 0.000 0.271 624 L C 0.266 177.195 176.870 0.099 0.000 1.013 624 L CA -0.424 54.468 54.840 0.087 0.000 0.816 624 L CB 1.044 43.140 42.059 0.061 0.000 1.287 624 L HN 0.627 nan 8.230 nan 0.000 0.435 625 T N -2.131 112.501 114.554 0.131 0.000 2.844 625 T HA 0.911 5.262 4.350 0.000 0.000 0.274 625 T C 0.528 175.345 174.700 0.194 0.000 0.991 625 T CA -0.072 62.098 62.100 0.118 0.000 0.983 625 T CB 1.067 69.958 68.868 0.039 0.000 1.310 625 T HN 1.895 nan 8.240 nan 0.000 0.596 626 G N 1.263 110.175 108.800 0.187 0.000 2.512 626 G HA2 -0.194 3.766 3.960 0.000 0.000 0.254 626 G HA3 -0.194 3.766 3.960 0.000 0.000 0.254 626 G C -0.334 174.629 174.900 0.104 0.000 1.199 626 G CA 0.097 45.324 45.100 0.212 0.000 0.941 626 G HN 1.389 nan 8.290 nan 0.000 0.569 627 K N 1.399 121.843 120.400 0.073 0.000 2.491 627 K HA 0.352 4.673 4.320 0.000 0.000 0.279 627 K C 1.662 178.287 176.600 0.042 0.000 1.026 627 K CA 0.288 56.602 56.287 0.045 0.000 1.070 627 K CB 0.478 32.994 32.500 0.028 0.000 0.887 627 K HN 0.536 nan 8.250 nan 0.000 0.481 628 L N 2.798 124.042 121.223 0.035 0.000 2.089 628 L HA -0.190 4.150 4.340 0.000 0.000 0.213 628 L C 1.228 178.112 176.870 0.024 0.000 1.079 628 L CA 1.244 56.101 54.840 0.029 0.000 0.758 628 L CB -1.548 40.524 42.059 0.022 0.000 0.891 628 L HN 1.174 nan 8.230 nan 0.000 0.433 629 G N 0.895 109.708 108.800 0.021 0.000 2.344 629 G HA2 -0.299 3.662 3.960 0.000 0.000 0.204 629 G HA3 -0.299 3.662 3.960 0.000 0.000 0.204 629 G C 0.196 175.103 174.900 0.011 0.000 0.347 629 G CA 0.713 45.823 45.100 0.016 0.000 1.000 629 G HN 0.384 nan 8.290 nan 0.000 0.408 630 D N 0.782 121.187 120.400 0.008 0.000 2.305 630 D HA 0.045 4.685 4.640 0.000 0.000 0.206 630 D C 2.507 178.809 176.300 0.004 0.000 0.974 630 D CA 0.821 54.824 54.000 0.005 0.000 0.871 630 D CB 0.296 41.099 40.800 0.004 0.000 0.947 630 D HN 0.311 nan 8.370 nan 0.000 0.516 631 V N 0.625 120.542 119.914 0.005 0.000 2.515 631 V HA -0.173 3.947 4.120 0.000 0.000 0.250 631 V C 2.352 178.449 176.094 0.006 0.000 1.058 631 V CA 0.999 63.301 62.300 0.004 0.000 1.064 631 V CB -0.297 31.527 31.823 0.003 0.000 0.675 631 V HN 0.301 nan 8.190 nan 0.000 0.461 632 M N -0.523 119.082 119.600 0.008 0.000 2.123 632 M HA -0.075 4.406 4.480 0.000 0.000 0.263 632 M C 2.330 178.636 176.300 0.011 0.000 1.069 632 M CA 1.509 56.816 55.300 0.010 0.000 1.133 632 M CB -1.108 31.500 32.600 0.013 0.000 1.356 632 M HN 0.240 nan 8.290 nan 0.000 0.415 633 R N 0.632 121.134 120.500 0.005 0.000 2.112 633 R HA -0.254 4.086 4.340 0.000 0.000 0.242 633 R C 2.063 178.363 176.300 0.001 0.000 1.137 633 R CA 2.409 58.506 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 0.448 nan 8.270 nan 0.000 0.435 634 E N -0.375 119.828 120.200 0.005 0.000 2.048 634 E HA -0.261 4.089 4.350 0.000 0.000 0.202 634 E C 1.929 178.545 176.600 0.026 0.000 1.021 634 E CA 2.130 58.538 56.400 0.013 0.000 0.825 634 E CB -0.243 29.463 29.700 0.010 0.000 0.756 634 E HN 0.262 nan 8.360 nan 0.000 0.454 635 S N -0.628 115.086 115.700 0.024 0.000 2.348 635 S HA -0.170 4.300 4.470 0.000 0.000 0.221 635 S C 1.880 176.512 174.600 0.053 0.000 1.033 635 S CA 1.135 59.354 58.200 0.032 0.000 1.010 635 S CB -0.492 62.720 63.200 0.020 0.000 0.891 635 S HN 0.511 nan 8.310 nan 0.000 0.442 636 A N 1.045 123.893 122.820 0.047 0.000 1.852 636 A HA -0.228 4.092 4.320 0.000 0.000 0.217 636 A C 1.811 179.462 177.584 0.112 0.000 1.215 636 A CA 1.862 53.939 52.037 0.067 0.000 0.641 636 A CB -0.996 18.024 19.000 0.033 0.000 0.838 636 A HN 0.634 nan 8.150 nan 0.000 0.450 637 Q N -0.496 119.336 119.800 0.054 0.000 2.294 637 Q HA 0.248 4.588 4.340 0.000 0.000 0.207 637 Q C 0.799 176.902 176.000 0.171 0.000 0.887 637 Q CA 0.362 56.209 55.803 0.074 0.000 0.987 637 Q CB -0.330 28.382 28.738 -0.044 0.000 1.101 637 Q HN 0.633 nan 8.270 nan 0.000 0.447 638 A N -1.180 121.754 122.820 0.189 0.000 1.780 638 A HA 0.340 4.660 4.320 0.000 0.000 0.208 638 A C 1.780 179.483 177.584 0.198 0.000 1.761 638 A CA 0.555 52.691 52.037 0.166 0.000 1.183 638 A CB -0.529 18.532 19.000 0.101 0.000 1.162 638 A HN 0.419 nan 8.150 nan 0.000 0.472 639 A N -0.602 122.323 122.820 0.174 0.000 1.972 639 A HA 0.031 4.352 4.320 0.000 0.000 0.219 639 A C 1.926 179.664 177.584 0.257 0.000 1.169 639 A CA 1.650 53.784 52.037 0.162 0.000 0.635 639 A CB -0.742 18.321 19.000 0.105 0.000 0.810 639 A HN 0.730 nan 8.150 nan 0.000 0.446 640 F N 1.413 121.442 119.950 0.132 0.000 2.051 640 F HA -0.155 4.373 4.527 0.000 0.000 0.296 640 F C 2.349 178.240 175.800 0.153 0.000 1.122 640 F CA 2.129 60.223 58.000 0.156 0.000 1.201 640 F CB -0.344 38.723 39.000 0.112 0.000 0.978 640 F HN 0.166 nan 8.300 nan 0.000 0.472 641 S N -0.774 115.114 115.700 0.314 0.000 2.595 641 S HA -0.151 4.319 4.470 0.000 0.000 0.235 641 S C 1.284 175.937 174.600 0.089 0.000 0.974 641 S CA 0.721 59.013 58.200 0.152 0.000 0.942 641 S CB -0.788 62.516 63.200 0.174 0.000 0.766 641 S HN 0.632 nan 8.310 nan 0.000 0.536 642 Y N 1.832 122.142 120.300 0.016 0.000 2.190 642 Y HA -0.021 4.529 4.550 0.000 0.000 0.290 642 Y C 2.125 178.020 175.900 -0.008 0.000 1.115 642 Y CA 0.914 59.022 58.100 0.013 0.000 1.107 642 Y CB -0.631 37.851 38.460 0.036 0.000 1.033 642 Y HN 0.013 nan 8.280 nan 0.000 0.502 643 V N 2.013 122.018 119.914 0.152 0.000 2.439 643 V HA -0.364 3.756 4.120 0.000 0.000 0.253 643 V C 2.538 178.616 176.094 -0.027 0.000 1.074 643 V CA 1.996 64.332 62.300 0.060 0.000 1.076 643 V CB -0.813 31.092 31.823 0.137 0.000 0.664 643 V HN 0.384 nan 8.190 nan 0.000 0.461 644 R N 0.863 121.271 120.500 -0.155 0.000 2.113 644 R HA -0.179 4.161 4.340 0.000 0.000 0.244 644 R C 2.447 178.648 176.300 -0.164 0.000 1.142 644 R CA 2.160 58.112 56.100 -0.246 0.000 0.953 644 R CB -0.857 29.253 30.300 -0.318 0.000 0.860 644 R HN 0.791 nan 8.270 nan 0.000 0.438 645 S N 0.710 116.288 115.700 -0.203 0.000 2.272 645 S HA -0.023 4.447 4.470 0.000 0.000 0.161 645 S C 0.336 174.814 174.600 -0.203 0.000 1.293 645 S CA -0.110 57.968 58.200 -0.202 0.000 2.027 645 S CB -0.394 62.659 63.200 -0.245 0.000 0.565 645 S HN -0.018 nan 8.310 nan 0.000 0.364 646 K N 2.601 122.809 120.400 -0.318 0.000 2.049 646 K HA 0.104 4.424 4.320 0.000 0.000 0.246 646 K C 0.575 177.104 176.600 -0.119 0.000 1.240 646 K CA 0.554 56.704 56.287 -0.228 0.000 1.305 646 K CB -1.030 31.285 32.500 -0.308 0.000 0.861 646 K HN 0.497 nan 8.250 nan 0.000 0.407 647 T N 0.978 115.505 114.554 -0.045 0.000 3.587 647 T HA -0.077 4.273 4.350 0.000 0.000 0.221 647 T C 1.485 176.200 174.700 0.025 0.000 0.921 647 T CA 0.335 62.448 62.100 0.022 0.000 1.426 647 T CB -0.104 68.805 68.868 0.067 0.000 1.340 647 T HN 0.696 nan 8.240 nan 0.000 0.423 648 E N 1.907 122.120 120.200 0.021 0.000 2.187 648 E HA -0.263 4.087 4.350 0.000 0.000 0.199 648 E C 1.842 178.448 176.600 0.010 0.000 1.004 648 E CA 1.605 58.015 56.400 0.016 0.000 0.813 648 E CB -0.349 29.357 29.700 0.009 0.000 0.736 648 E HN 0.581 nan 8.360 nan 0.000 0.468 649 E N -0.062 120.140 120.200 0.003 0.000 2.396 649 E HA -0.158 4.192 4.350 0.000 0.000 0.200 649 E C 1.385 177.995 176.600 0.017 0.000 1.023 649 E CA 0.598 57.001 56.400 0.004 0.000 0.857 649 E CB 0.143 29.839 29.700 -0.006 0.000 0.775 649 E HN 0.323 nan 8.360 nan 0.000 0.525 650 L N -1.198 120.038 121.223 0.021 0.000 2.878 650 L HA 0.337 4.677 4.340 0.000 0.000 0.253 650 L C 0.372 177.254 176.870 0.019 0.000 1.135 650 L CA 1.107 55.966 54.840 0.032 0.000 0.943 650 L CB 1.206 43.295 42.059 0.050 0.000 1.307 650 L HN 0.061 nan 8.230 nan 0.000 0.545 651 G N 1.814 110.623 108.800 0.015 0.000 2.799 651 G HA2 -0.084 3.876 3.960 0.000 0.000 0.271 651 G HA3 -0.084 3.876 3.960 0.000 0.000 0.271 651 G C -0.669 174.234 174.900 0.004 0.000 1.067 651 G CA 0.269 45.375 45.100 0.010 0.000 1.251 651 G HN 0.570 nan 8.290 nan 0.000 0.560 652 I N -0.551 120.026 120.570 0.013 0.000 2.744 652 I HA 0.391 4.561 4.170 0.000 0.000 0.285 652 I C -0.058 176.092 176.117 0.056 0.000 1.530 652 I CA -1.260 60.044 61.300 0.007 0.000 1.064 652 I CB 1.251 39.217 38.000 -0.056 0.000 1.429 652 I HN 0.560 nan 8.210 nan 0.000 0.425 653 E N 7.980 128.217 120.200 0.061 0.000 2.406 653 E HA 0.107 4.458 4.350 0.000 0.000 0.247 653 E C -2.020 174.659 176.600 0.132 0.000 1.160 653 E CA -1.180 55.261 56.400 0.067 0.000 0.950 653 E CB -0.075 29.642 29.700 0.029 0.000 0.993 653 E HN 0.430 nan 8.360 nan 0.000 0.472 654 P HA -0.191 nan 4.420 nan 0.000 0.219 654 P C 0.404 177.691 177.300 -0.022 0.000 1.144 654 P CA 1.193 64.350 63.100 0.096 0.000 0.806 654 P CB 0.114 31.835 31.700 0.034 0.000 0.771 655 D N -1.599 118.767 120.400 -0.057 0.000 2.663 655 D HA -0.014 4.627 4.640 0.000 0.000 0.243 655 D C 0.926 177.102 176.300 -0.207 0.000 1.218 655 D CA -0.199 53.697 54.000 -0.174 0.000 0.846 655 D CB -0.892 39.826 40.800 -0.135 0.000 1.014 655 D HN 0.175 nan 8.370 nan 0.000 0.476 656 F N -0.523 119.277 119.950 -0.250 0.000 2.298 656 F HA 0.101 4.629 4.527 0.000 0.000 0.282 656 F C 2.033 177.783 175.800 -0.083 0.000 1.045 656 F CA 0.408 58.285 58.000 -0.205 0.000 1.280 656 F CB -0.756 38.244 39.000 -0.000 0.000 1.114 656 F HN 0.056 nan 8.300 nan 0.000 0.546 657 H N -0.427 117.879 119.070 -1.274 0.000 2.557 657 H HA 0.008 4.564 4.556 0.000 0.000 0.287 657 H C 1.560 176.762 175.328 -0.210 0.000 1.043 657 H CA 1.613 57.231 56.048 -0.717 0.000 1.226 657 H CB -0.764 28.492 29.762 -0.843 0.000 1.361 657 H HN 0.645 nan 8.280 nan 0.000 0.592 658 E N 0.027 119.910 120.200 -0.529 0.000 2.251 658 E HA 0.051 4.402 4.350 0.000 0.000 0.194 658 E C 0.413 176.932 176.600 -0.135 0.000 0.964 658 E CA 0.138 56.353 56.400 -0.310 0.000 0.868 658 E CB 0.500 29.957 29.700 -0.404 0.000 0.828 658 E HN 0.168 nan 8.360 nan 0.000 0.481 659 K N 0.051 120.368 120.400 -0.139 0.000 3.165 659 K HA 0.247 4.567 4.320 0.000 0.000 0.206 659 K C -1.392 175.203 176.600 -0.009 0.000 1.123 659 K CA -0.075 56.160 56.287 -0.087 0.000 0.978 659 K CB 0.749 33.157 32.500 -0.154 0.000 0.749 659 K HN 0.116 nan 8.250 nan 0.000 0.454 660 Y N -0.893 119.474 120.300 0.112 0.000 2.655 660 Y HA 0.310 4.860 4.550 0.000 0.000 0.336 660 Y C -0.807 175.176 175.900 0.138 0.000 1.154 660 Y CA -1.211 56.981 58.100 0.153 0.000 1.055 660 Y CB 2.613 41.228 38.460 0.258 0.000 1.295 660 Y HN -0.083 nan 8.280 nan 0.000 0.465 661 D N 2.457 123.010 120.400 0.255 0.000 2.686 661 D HA 0.293 4.934 4.640 0.000 0.000 0.249 661 D C -1.064 175.219 176.300 -0.028 0.000 1.260 661 D CA -0.277 53.773 54.000 0.083 0.000 0.910 661 D CB 1.607 42.419 40.800 0.020 0.000 1.323 661 D HN 0.530 nan 8.370 nan 0.000 0.561 662 I N 0.662 121.218 120.570 -0.024 0.000 2.331 662 I HA 0.460 4.630 4.170 0.000 0.000 0.292 662 I C -0.744 175.263 176.117 -0.183 0.000 0.998 662 I CA -0.377 60.914 61.300 -0.015 0.000 1.267 662 I CB 1.238 39.345 38.000 0.179 0.000 1.386 662 I HN 0.160 nan 8.210 nan 0.000 0.476 663 H N 7.438 126.537 119.070 0.048 0.000 2.476 663 H HA 0.594 5.151 4.556 0.000 0.000 0.328 663 H C -0.539 174.820 175.328 0.052 0.000 1.073 663 H CA -0.447 55.623 56.048 0.037 0.000 1.229 663 H CB 2.313 32.086 29.762 0.018 0.000 1.432 663 H HN 0.592 nan 8.280 nan 0.000 0.477 664 I N 2.457 123.130 120.570 0.171 0.000 2.646 664 I HA 0.134 4.304 4.170 0.000 0.000 0.299 664 I C -0.353 175.878 176.117 0.191 0.000 1.036 664 I CA -0.723 60.665 61.300 0.146 0.000 1.074 664 I CB 2.136 40.197 38.000 0.100 0.000 1.258 664 I HN 0.498 nan 8.210 nan 0.000 0.430 665 H N 4.928 124.027 119.070 0.049 0.000 2.727 665 H HA 0.577 5.134 4.556 0.001 0.000 0.330 665 H C -1.632 173.712 175.328 0.027 0.000 0.986 665 H CA -0.753 55.316 56.048 0.034 0.000 1.251 665 H CB 1.528 31.305 29.762 0.025 0.000 1.493 665 H HN 0.218 nan 8.280 nan 0.000 0.515 666 V N 6.841 126.672 119.914 -0.138 0.000 2.284 666 V HA 0.340 4.460 4.120 0.000 0.000 0.274 666 V C -2.341 173.591 176.094 -0.269 0.000 1.023 666 V CA -1.870 60.312 62.300 -0.197 0.000 0.808 666 V CB 0.559 32.347 31.823 -0.059 0.000 1.035 666 V HN 0.714 nan 8.190 nan 0.000 0.445 667 P HA 0.087 nan 4.420 nan 0.000 0.265 667 P C 0.264 177.506 177.300 -0.097 0.000 1.187 667 P CA 0.214 63.157 63.100 -0.262 0.000 0.766 667 P CB 0.539 32.109 31.700 -0.217 0.000 0.820 668 E N 1.167 121.348 120.200 -0.032 0.000 2.418 668 E HA 0.304 4.654 4.350 0.000 0.000 0.261 668 E C 1.053 177.647 176.600 -0.009 0.000 1.070 668 E CA 0.438 56.835 56.400 -0.006 0.000 0.931 668 E CB 0.187 29.897 29.700 0.016 0.000 0.954 668 E HN 0.724 nan 8.360 nan 0.000 0.439 669 G N 1.022 109.823 108.800 0.001 0.000 3.967 669 G HA2 -0.082 3.878 3.960 0.000 0.000 0.210 669 G HA3 -0.082 3.878 3.960 0.000 0.000 0.210 669 G C 0.150 175.062 174.900 0.020 0.000 1.127 669 G CA -0.201 44.901 45.100 0.004 0.000 0.887 669 G HN 0.756 nan 8.290 nan 0.000 0.367 670 A N 0.950 123.783 122.820 0.022 0.000 2.540 670 A HA 0.547 4.867 4.320 0.000 0.000 0.239 670 A C 0.579 178.197 177.584 0.058 0.000 1.061 670 A CA 0.593 52.659 52.037 0.049 0.000 0.758 670 A CB 0.696 19.715 19.000 0.031 0.000 0.991 670 A HN 1.212 nan 8.150 nan 0.000 0.502 671 V N 5.429 125.402 119.914 0.098 0.000 2.686 671 V HA 0.225 4.345 4.120 0.000 0.000 0.295 671 V C -1.044 175.070 176.094 0.034 0.000 1.057 671 V CA -1.344 61.004 62.300 0.079 0.000 1.012 671 V CB 1.270 33.175 31.823 0.137 0.000 1.006 671 V HN 0.933 nan 8.190 nan 0.000 0.477 672 P HA -0.346 nan 4.420 nan 0.000 0.216 672 P C 1.589 178.880 177.300 -0.014 0.000 1.062 672 P CA 2.270 65.372 63.100 0.003 0.000 0.995 672 P CB -0.155 31.547 31.700 0.002 0.000 0.762 673 K N -0.024 120.356 120.400 -0.034 0.000 2.189 673 K HA -0.246 4.075 4.320 0.000 0.000 0.207 673 K C 1.395 177.959 176.600 -0.060 0.000 1.046 673 K CA 2.453 58.705 56.287 -0.058 0.000 0.928 673 K CB -0.651 31.790 32.500 -0.097 0.000 0.720 673 K HN 0.054 nan 8.250 nan 0.000 0.458 674 D N -0.723 119.647 120.400 -0.049 0.000 2.369 674 D HA 0.124 4.764 4.640 0.000 0.000 0.211 674 D C 1.522 177.816 176.300 -0.010 0.000 1.077 674 D CA 0.552 54.531 54.000 -0.035 0.000 0.842 674 D CB 0.279 41.069 40.800 -0.017 0.000 0.947 674 D HN 0.375 nan 8.370 nan 0.000 0.509 675 G N 1.532 110.328 108.800 -0.007 0.000 2.529 675 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 675 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 675 G C -0.624 174.274 174.900 -0.004 0.000 1.177 675 G CA 0.579 45.678 45.100 -0.002 0.000 0.773 675 G HN 0.329 nan 8.290 nan 0.000 0.573 676 P HA 0.137 nan 4.420 nan 0.000 0.239 676 P C 1.288 178.581 177.300 -0.012 0.000 1.184 676 P CA 1.084 64.179 63.100 -0.009 0.000 0.760 676 P CB 0.025 31.717 31.700 -0.013 0.000 0.884 677 A N -0.360 122.453 122.820 -0.012 0.000 2.259 677 A HA 0.354 4.674 4.320 0.000 0.000 0.208 677 A C 1.805 179.385 177.584 -0.007 0.000 1.201 677 A CA 0.777 52.807 52.037 -0.011 0.000 0.824 677 A CB -0.755 18.240 19.000 -0.008 0.000 0.838 677 A HN 0.189 nan 8.150 nan 0.000 0.485 678 A N -1.049 121.767 122.820 -0.006 0.000 2.387 678 A HA 0.472 4.792 4.320 0.000 0.000 0.234 678 A C 1.881 179.462 177.584 -0.005 0.000 1.253 678 A CA 0.799 52.833 52.037 -0.006 0.000 0.894 678 A CB -0.566 18.430 19.000 -0.006 0.000 0.963 678 A HN 0.522 nan 8.150 nan 0.000 0.508 679 G N 1.942 110.737 108.800 -0.008 0.000 2.587 679 G HA2 -0.297 3.663 3.960 0.000 0.000 0.217 679 G HA3 -0.297 3.663 3.960 0.000 0.000 0.217 679 G C 1.516 176.404 174.900 -0.020 0.000 1.240 679 G CA 1.509 46.603 45.100 -0.009 0.000 0.794 679 G HN 0.902 nan 8.290 nan 0.000 0.580 680 I N -0.901 119.649 120.570 -0.034 0.000 2.423 680 I HA -0.096 4.074 4.170 0.000 0.000 0.254 680 I C 2.400 178.501 176.117 -0.026 0.000 1.151 680 I CA 1.872 63.145 61.300 -0.045 0.000 1.421 680 I CB -0.825 37.148 38.000 -0.045 0.000 1.079 680 I HN 0.062 nan 8.210 nan 0.000 0.431 681 T N 2.927 117.472 114.554 -0.015 0.000 2.590 681 T HA -0.105 4.245 4.350 0.000 0.000 0.257 681 T C 1.942 176.643 174.700 0.002 0.000 1.080 681 T CA 2.169 64.265 62.100 -0.007 0.000 1.180 681 T CB -0.483 68.380 68.868 -0.008 0.000 0.865 681 T HN 0.467 nan 8.240 nan 0.000 0.403 682 M N 1.960 121.567 119.600 0.011 0.000 2.103 682 M HA -0.160 4.320 4.480 0.000 0.000 0.255 682 M C 2.647 178.971 176.300 0.040 0.000 1.074 682 M CA 2.072 57.391 55.300 0.031 0.000 1.090 682 M CB -1.172 31.454 32.600 0.043 0.000 1.325 682 M HN 0.260 nan 8.290 nan 0.000 0.403 683 A N 1.065 123.901 122.820 0.026 0.000 1.842 683 A HA -0.200 4.120 4.320 0.000 0.000 0.217 683 A C 2.321 179.913 177.584 0.013 0.000 1.206 683 A CA 2.892 54.940 52.037 0.019 0.000 0.630 683 A CB -1.596 17.376 19.000 -0.046 0.000 0.839 683 A HN 0.589 nan 8.150 nan 0.000 0.447 684 T N 0.396 114.947 114.554 -0.005 0.000 2.653 684 T HA -0.241 4.109 4.350 0.000 0.000 0.267 684 T C 2.107 176.812 174.700 0.008 0.000 1.037 684 T CA 2.481 64.581 62.100 0.000 0.000 1.159 684 T CB -0.753 68.113 68.868 -0.002 0.000 0.859 684 T HN 0.722 nan 8.240 nan 0.000 0.449 685 A N 1.705 124.533 122.820 0.013 0.000 1.828 685 A HA -0.017 4.304 4.320 0.000 0.000 0.215 685 A C 2.295 179.890 177.584 0.017 0.000 1.203 685 A CA 1.471 53.518 52.037 0.017 0.000 0.614 685 A CB -1.159 17.856 19.000 0.025 0.000 0.844 685 A HN 0.454 nan 8.150 nan 0.000 0.445 686 L N -0.072 121.173 121.223 0.036 0.000 2.123 686 L HA -0.228 4.113 4.340 0.000 0.000 0.217 686 L C 2.422 179.284 176.870 -0.013 0.000 1.081 686 L CA 2.293 57.156 54.840 0.039 0.000 0.772 686 L CB -0.501 41.616 42.059 0.097 0.000 0.890 686 L HN 0.297 nan 8.230 nan 0.000 0.437 687 V N -1.127 118.784 119.914 -0.005 0.000 2.273 687 V HA -0.211 3.910 4.120 0.000 0.000 0.242 687 V C 2.662 178.737 176.094 -0.032 0.000 1.035 687 V CA 1.670 63.955 62.300 -0.025 0.000 1.013 687 V CB -0.141 31.689 31.823 0.010 0.000 0.652 687 V HN 0.553 nan 8.190 nan 0.000 0.452 688 S N -0.020 115.671 115.700 -0.014 0.000 2.462 688 S HA -0.203 4.267 4.470 0.000 0.000 0.243 688 S C 1.846 176.432 174.600 -0.024 0.000 1.003 688 S CA 1.757 59.949 58.200 -0.014 0.000 0.970 688 S CB -0.224 62.972 63.200 -0.005 0.000 0.762 688 S HN 0.601 nan 8.310 nan 0.000 0.510 689 A N 0.472 123.273 122.820 -0.033 0.000 1.943 689 A HA 0.368 4.688 4.320 0.000 0.000 0.213 689 A C 2.118 179.656 177.584 -0.077 0.000 1.181 689 A CA 0.455 52.466 52.037 -0.044 0.000 0.653 689 A CB -0.431 18.550 19.000 -0.032 0.000 0.833 689 A HN 0.535 nan 8.150 nan 0.000 0.451 690 L N -0.048 121.111 121.223 -0.106 0.000 2.179 690 L HA -0.053 4.287 4.340 0.000 0.000 0.208 690 L C 2.365 179.182 176.870 -0.087 0.000 1.096 690 L CA 1.682 56.431 54.840 -0.152 0.000 0.779 690 L CB -0.076 41.798 42.059 -0.308 0.000 0.922 690 L HN 0.597 nan 8.230 nan 0.000 0.443 691 T N -3.888 110.628 114.554 -0.064 0.000 3.186 691 T HA 0.200 4.551 4.350 0.000 0.000 0.257 691 T C 1.385 176.074 174.700 -0.019 0.000 1.029 691 T CA 0.291 62.371 62.100 -0.033 0.000 0.916 691 T CB 0.336 69.188 68.868 -0.026 0.000 1.041 691 T HN 0.406 nan 8.240 nan 0.000 0.562 692 G N 1.975 110.762 108.800 -0.022 0.000 2.256 692 G HA2 -0.361 3.599 3.960 0.000 0.000 0.279 692 G HA3 -0.361 3.599 3.960 0.000 0.000 0.279 692 G C 0.813 175.706 174.900 -0.011 0.000 0.998 692 G CA 0.946 46.038 45.100 -0.014 0.000 0.720 692 G HN 0.627 nan 8.290 nan 0.000 0.521 693 R N 0.116 120.609 120.500 -0.012 0.000 1.451 693 R HA 0.559 4.899 4.340 0.000 0.000 0.066 693 R C 0.607 176.902 176.300 -0.008 0.000 0.461 693 R CA 0.728 56.823 56.100 -0.008 0.000 2.066 693 R CB -0.037 30.259 30.300 -0.007 0.000 0.491 693 R HN 1.102 nan 8.270 nan 0.000 0.765 694 A N -0.162 122.654 122.820 -0.006 0.000 2.549 694 A HA 0.263 4.584 4.320 0.000 0.000 0.306 694 A C -0.983 176.599 177.584 -0.004 0.000 1.053 694 A CA -0.719 51.315 52.037 -0.005 0.000 0.892 694 A CB 0.715 19.711 19.000 -0.006 0.000 1.329 694 A HN 0.231 nan 8.150 nan 0.000 0.388 695 V N 1.949 121.862 119.914 -0.003 0.000 2.655 695 V HA 0.297 4.417 4.120 0.000 0.000 0.300 695 V C 1.326 177.418 176.094 -0.004 0.000 1.044 695 V CA 0.593 62.892 62.300 -0.001 0.000 1.095 695 V CB 1.697 33.519 31.823 -0.001 0.000 0.952 695 V HN 1.086 nan 8.190 nan 0.000 0.485 696 S N 5.182 120.880 115.700 -0.003 0.000 2.430 696 S HA 0.110 4.581 4.470 0.000 0.000 0.282 696 S C 1.578 176.172 174.600 -0.011 0.000 1.186 696 S CA -0.472 57.724 58.200 -0.006 0.000 1.060 696 S CB 0.075 63.273 63.200 -0.003 0.000 0.966 696 S HN 0.798 nan 8.310 nan 0.000 0.501 697 R N 3.869 124.361 120.500 -0.014 0.000 2.226 697 R HA -0.174 4.166 4.340 0.000 0.000 0.246 697 R C 1.110 177.392 176.300 -0.029 0.000 1.161 697 R CA 2.003 58.092 56.100 -0.020 0.000 0.997 697 R CB -0.421 29.867 30.300 -0.018 0.000 0.870 697 R HN 0.682 nan 8.270 nan 0.000 0.465 698 E N 0.991 121.173 120.200 -0.029 0.000 2.216 698 E HA 0.010 4.360 4.350 0.000 0.000 0.192 698 E C 0.061 176.635 176.600 -0.045 0.000 0.988 698 E CA 0.613 56.989 56.400 -0.040 0.000 0.834 698 E CB 0.314 29.994 29.700 -0.032 0.000 0.772 698 E HN 0.131 nan 8.360 nan 0.000 0.479 699 V N 1.036 120.932 119.914 -0.030 0.000 2.498 699 V HA 0.397 4.518 4.120 0.000 0.000 0.279 699 V C 0.462 176.536 176.094 -0.034 0.000 1.048 699 V CA -0.535 61.748 62.300 -0.029 0.000 0.967 699 V CB 1.412 33.232 31.823 -0.005 0.000 0.988 699 V HN 0.087 nan 8.190 nan 0.000 0.473 700 G N 5.005 113.779 108.800 -0.043 0.000 2.470 700 G HA2 0.743 4.703 3.960 0.000 0.000 0.320 700 G HA3 0.743 4.703 3.960 0.000 0.000 0.320 700 G C -0.758 174.127 174.900 -0.025 0.000 1.245 700 G CA -0.777 44.301 45.100 -0.036 0.000 0.935 700 G HN 0.816 nan 8.290 nan 0.000 0.476 701 M N 0.606 120.197 119.600 -0.014 0.000 2.572 701 M HA 0.868 5.348 4.480 0.000 0.000 0.299 701 M C -1.133 175.167 176.300 -0.000 0.000 1.205 701 M CA -0.733 54.564 55.300 -0.005 0.000 0.876 701 M CB 2.750 35.346 32.600 -0.007 0.000 1.728 701 M HN 0.383 nan 8.290 nan 0.000 0.458 702 T N 0.758 115.315 114.554 0.005 0.000 3.105 702 T HA 0.828 5.178 4.350 0.000 0.000 0.321 702 T C -1.086 173.612 174.700 -0.004 0.000 1.135 702 T CA 0.009 62.112 62.100 0.005 0.000 1.053 702 T CB 1.665 70.545 68.868 0.019 0.000 1.133 702 T HN 1.292 nan 8.240 nan 0.000 0.463 703 G N 2.746 111.538 108.800 -0.014 0.000 2.498 703 G HA2 0.415 4.375 3.960 0.000 0.000 0.301 703 G HA3 0.415 4.375 3.960 0.000 0.000 0.301 703 G C -1.619 173.263 174.900 -0.030 0.000 1.577 703 G CA -0.740 44.345 45.100 -0.026 0.000 0.868 703 G HN 0.759 nan 8.290 nan 0.000 0.599 704 E N 0.480 120.660 120.200 -0.035 0.000 2.331 704 E HA 0.506 4.856 4.350 0.000 0.000 0.272 704 E C -0.535 176.040 176.600 -0.041 0.000 1.036 704 E CA -0.608 55.773 56.400 -0.032 0.000 0.864 704 E CB 1.040 30.722 29.700 -0.030 0.000 1.035 704 E HN 0.279 nan 8.360 nan 0.000 0.408 705 I N 2.750 123.302 120.570 -0.030 0.000 2.607 705 I HA 0.278 4.448 4.170 0.000 0.000 0.305 705 I C -0.019 176.091 176.117 -0.012 0.000 0.995 705 I CA -0.170 61.108 61.300 -0.037 0.000 1.148 705 I CB 1.889 39.868 38.000 -0.034 0.000 1.323 705 I HN 0.637 nan 8.210 nan 0.000 0.461 706 T N 3.615 118.167 114.554 -0.003 0.000 2.916 706 T HA 0.444 4.795 4.350 0.000 0.000 0.292 706 T C 1.278 176.029 174.700 0.085 0.000 1.055 706 T CA -0.683 61.437 62.100 0.033 0.000 1.009 706 T CB 0.847 69.729 68.868 0.023 0.000 1.118 706 T HN 0.455 nan 8.240 nan 0.000 0.497 707 L N 0.748 122.027 121.223 0.095 0.000 2.030 707 L HA -0.215 4.125 4.340 0.000 0.000 0.222 707 L C 3.018 180.005 176.870 0.194 0.000 1.082 707 L CA 1.633 56.551 54.840 0.129 0.000 0.785 707 L CB -0.392 41.718 42.059 0.084 0.000 0.895 707 L HN 0.694 nan 8.230 nan 0.000 0.439 708 R N -0.422 120.177 120.500 0.165 0.000 2.189 708 R HA -0.058 4.282 4.340 0.000 0.000 0.223 708 R C 1.464 177.997 176.300 0.388 0.000 1.092 708 R CA 1.065 57.288 56.100 0.205 0.000 0.989 708 R CB -0.398 29.990 30.300 0.147 0.000 0.876 708 R HN 0.636 nan 8.270 nan 0.000 0.457 709 G N 0.782 109.773 108.800 0.319 0.000 2.175 709 G HA2 -0.234 3.726 3.960 0.000 0.000 0.182 709 G HA3 -0.234 3.726 3.960 0.000 0.000 0.182 709 G C -0.060 174.855 174.900 0.026 0.000 1.003 709 G CA -0.280 44.896 45.100 0.127 0.000 0.666 709 G HN 0.237 nan 8.290 nan 0.000 0.506 710 R N -0.341 120.174 120.500 0.026 0.000 2.643 710 R HA 0.454 4.795 4.340 0.000 0.000 0.270 710 R C 0.179 176.392 176.300 -0.145 0.000 1.061 710 R CA 0.153 56.176 56.100 -0.129 0.000 1.107 710 R CB 1.014 31.265 30.300 -0.083 0.000 0.999 710 R HN 0.072 nan 8.270 nan 0.000 0.460 711 V N 5.649 125.441 119.914 -0.204 0.000 2.293 711 V HA 0.222 4.342 4.120 0.000 0.000 0.275 711 V C 0.096 176.123 176.094 -0.112 0.000 1.021 711 V CA -0.436 61.783 62.300 -0.135 0.000 0.815 711 V CB 0.634 32.383 31.823 -0.124 0.000 1.025 711 V HN 0.550 nan 8.190 nan 0.000 0.448 712 L N 5.958 127.133 121.223 -0.080 0.000 2.456 712 L HA 0.455 4.795 4.340 0.000 0.000 0.257 712 L C -2.086 174.752 176.870 -0.054 0.000 1.162 712 L CA -1.863 52.939 54.840 -0.064 0.000 0.808 712 L CB 0.900 42.929 42.059 -0.049 0.000 1.136 712 L HN 0.342 nan 8.230 nan 0.000 0.466 713 P HA 0.100 nan 4.420 nan 0.000 0.267 713 P C -0.777 176.497 177.300 -0.043 0.000 1.200 713 P CA 0.061 63.133 63.100 -0.046 0.000 0.772 713 P CB 0.612 32.285 31.700 -0.045 0.000 0.855 714 I N 1.234 121.780 120.570 -0.040 0.000 2.910 714 I HA 0.575 4.745 4.170 0.000 0.000 0.310 714 I C 0.598 176.686 176.117 -0.048 0.000 1.043 714 I CA -0.724 60.553 61.300 -0.038 0.000 1.053 714 I CB 1.590 39.577 38.000 -0.022 0.000 1.242 714 I HN 0.344 nan 8.210 nan 0.000 0.452 715 G N 1.549 110.312 108.800 -0.062 0.000 2.377 715 G HA2 0.487 4.447 3.960 0.000 0.000 0.299 715 G HA3 0.487 4.447 3.960 0.000 0.000 0.299 715 G C 0.308 175.160 174.900 -0.080 0.000 1.150 715 G CA -0.156 44.883 45.100 -0.102 0.000 0.847 715 G HN 1.244 nan 8.290 nan 0.000 0.501 716 G N 0.769 109.521 108.800 -0.080 0.000 2.386 716 G HA2 -0.243 3.717 3.960 0.000 0.000 0.295 716 G HA3 -0.243 3.717 3.960 0.000 0.000 0.295 716 G C 0.992 175.939 174.900 0.079 0.000 0.979 716 G CA 0.386 45.495 45.100 0.015 0.000 1.193 716 G HN 0.758 nan 8.290 nan 0.000 0.508 717 L N -0.703 120.541 121.223 0.034 0.000 2.187 717 L HA -0.093 4.247 4.340 0.000 0.000 0.213 717 L C 2.844 179.757 176.870 0.071 0.000 1.100 717 L CA 2.491 57.361 54.840 0.050 0.000 0.765 717 L CB -0.279 41.783 42.059 0.007 0.000 0.904 717 L HN 0.656 nan 8.230 nan 0.000 0.437 718 K N 0.376 120.807 120.400 0.051 0.000 1.977 718 K HA -0.281 4.039 4.320 0.000 0.000 0.218 718 K C 1.768 178.410 176.600 0.069 0.000 1.051 718 K CA 2.353 58.670 56.287 0.051 0.000 0.953 718 K CB -0.079 32.439 32.500 0.030 0.000 0.727 718 K HN 0.202 nan 8.250 nan 0.000 0.445 719 E N 0.681 120.928 120.200 0.078 0.000 2.130 719 E HA -0.180 4.170 4.350 0.000 0.000 0.196 719 E C 1.968 178.591 176.600 0.039 0.000 0.998 719 E CA 1.536 57.959 56.400 0.038 0.000 0.806 719 E CB -0.008 29.700 29.700 0.013 0.000 0.738 719 E HN 0.293 nan 8.360 nan 0.000 0.459 720 K N -0.041 120.412 120.400 0.087 0.000 2.009 720 K HA -0.107 4.213 4.320 0.000 0.000 0.210 720 K C 2.096 178.736 176.600 0.065 0.000 1.049 720 K CA 1.425 57.756 56.287 0.074 0.000 0.929 720 K CB -0.194 32.365 32.500 0.097 0.000 0.714 720 K HN 0.164 nan 8.250 nan 0.000 0.440 721 A N 0.587 123.470 122.820 0.106 0.000 2.016 721 A HA -0.070 4.251 4.320 0.000 0.000 0.217 721 A C 1.932 179.572 177.584 0.093 0.000 1.162 721 A CA 0.673 52.781 52.037 0.117 0.000 0.662 721 A CB -0.302 18.862 19.000 0.273 0.000 0.812 721 A HN 0.193 nan 8.150 nan 0.000 0.450 722 L N 0.122 121.394 121.223 0.083 0.000 1.989 722 L HA -0.061 4.279 4.340 0.000 0.000 0.211 722 L C 2.368 179.282 176.870 0.075 0.000 1.071 722 L CA 2.347 57.233 54.840 0.077 0.000 0.749 722 L CB -0.996 41.090 42.059 0.044 0.000 0.890 722 L HN 0.315 nan 8.230 nan 0.000 0.431 723 G N -2.122 106.693 108.800 0.026 0.000 2.744 723 G HA2 0.023 3.983 3.960 0.000 0.000 0.211 723 G HA3 0.023 3.983 3.960 0.000 0.000 0.211 723 G C 1.454 176.343 174.900 -0.020 0.000 1.143 723 G CA 0.582 45.676 45.100 -0.010 0.000 0.788 723 G HN 0.585 nan 8.290 nan 0.000 0.534 724 A N -0.198 122.625 122.820 0.005 0.000 1.970 724 A HA 0.043 4.363 4.320 0.000 0.000 0.216 724 A C 1.975 179.539 177.584 -0.033 0.000 1.170 724 A CA 1.401 53.422 52.037 -0.026 0.000 0.645 724 A CB -0.607 18.379 19.000 -0.024 0.000 0.816 724 A HN 0.504 nan 8.150 nan 0.000 0.447 725 H N -0.647 118.370 119.070 -0.088 0.000 2.395 725 H HA 0.036 4.592 4.556 0.000 0.000 0.299 725 H C 2.301 177.562 175.328 -0.112 0.000 1.070 725 H CA 1.244 57.233 56.048 -0.098 0.000 1.356 725 H CB 0.052 29.792 29.762 -0.037 0.000 1.401 725 H HN 0.414 nan 8.280 nan 0.000 0.524 726 R N 0.275 120.722 120.500 -0.089 0.000 2.081 726 R HA -0.042 4.298 4.340 0.000 0.000 0.235 726 R C 2.177 178.359 176.300 -0.197 0.000 1.131 726 R CA 1.288 57.333 56.100 -0.092 0.000 0.960 726 R CB -0.104 30.176 30.300 -0.032 0.000 0.856 726 R HN 0.290 nan 8.270 nan 0.000 0.436 727 A N -0.403 122.278 122.820 -0.231 0.000 2.251 727 A HA 0.246 4.566 4.320 0.000 0.000 0.209 727 A C 0.813 178.143 177.584 -0.423 0.000 1.187 727 A CA 0.517 52.396 52.037 -0.263 0.000 0.823 727 A CB -0.163 18.737 19.000 -0.167 0.000 0.846 727 A HN 0.439 nan 8.150 nan 0.000 0.486 728 G N -0.432 108.019 108.800 -0.582 0.000 2.385 728 G HA2 -0.134 3.827 3.960 0.000 0.000 0.294 728 G HA3 -0.134 3.827 3.960 0.000 0.000 0.294 728 G C -0.378 174.316 174.900 -0.345 0.000 1.070 728 G CA 0.216 44.916 45.100 -0.668 0.000 1.172 728 G HN 0.316 nan 8.290 nan 0.000 0.516 729 L N -0.456 120.633 121.223 -0.224 0.000 2.387 729 L HA 0.740 5.080 4.340 0.000 0.000 0.266 729 L C 1.700 178.500 176.870 -0.117 0.000 1.059 729 L CA 0.312 55.064 54.840 -0.147 0.000 0.801 729 L CB 1.109 43.099 42.059 -0.116 0.000 1.223 729 L HN 0.244 nan 8.230 nan 0.000 0.456 730 T N -1.554 112.942 114.554 -0.096 0.000 2.980 730 T HA 0.084 4.434 4.350 0.000 0.000 0.239 730 T C 0.318 174.952 174.700 -0.109 0.000 1.011 730 T CA 0.650 62.701 62.100 -0.081 0.000 1.171 730 T CB 0.147 68.983 68.868 -0.054 0.000 0.873 730 T HN 0.664 nan 8.240 nan 0.000 0.431 731 T N 2.465 116.963 114.554 -0.095 0.000 2.859 731 T HA 0.650 5.000 4.350 0.000 0.000 0.281 731 T C -0.627 173.998 174.700 -0.125 0.000 1.005 731 T CA -0.546 61.491 62.100 -0.104 0.000 1.025 731 T CB 1.820 70.670 68.868 -0.030 0.000 0.977 731 T HN 0.173 nan 8.240 nan 0.000 0.458 732 I N 3.497 123.965 120.570 -0.171 0.000 2.719 732 I HA 0.341 4.511 4.170 0.000 0.000 0.275 732 I C -0.834 175.258 176.117 -0.042 0.000 1.228 732 I CA -0.828 60.394 61.300 -0.130 0.000 1.035 732 I CB 0.079 37.954 38.000 -0.210 0.000 1.286 732 I HN 0.707 nan 8.210 nan 0.000 0.531 733 I N 6.085 126.638 120.570 -0.027 0.000 2.742 733 I HA 0.156 4.327 4.170 0.000 0.000 0.287 733 I C 0.686 176.813 176.117 0.017 0.000 1.186 733 I CA 0.553 61.845 61.300 -0.014 0.000 1.417 733 I CB 0.440 38.428 38.000 -0.020 0.000 1.377 733 I HN 0.644 nan 8.210 nan 0.000 0.556 734 A N 8.237 131.077 122.820 0.033 0.000 2.583 734 A HA 0.786 5.107 4.320 0.000 0.000 0.289 734 A C -2.772 174.812 177.584 0.000 0.000 1.151 734 A CA -1.667 50.388 52.037 0.030 0.000 0.695 734 A CB 1.254 20.298 19.000 0.073 0.000 1.290 734 A HN 0.373 nan 8.150 nan 0.000 0.419 735 P HA 0.078 nan 4.420 nan 0.000 0.264 735 P C 0.389 177.666 177.300 -0.038 0.000 1.183 735 P CA 0.264 63.342 63.100 -0.037 0.000 0.763 735 P CB 0.699 32.375 31.700 -0.041 0.000 0.807 736 K N 3.338 123.711 120.400 -0.045 0.000 2.032 736 K HA -0.186 4.134 4.320 0.000 0.000 0.209 736 K C 0.579 177.152 176.600 -0.045 0.000 1.048 736 K CA 1.933 58.196 56.287 -0.040 0.000 0.927 736 K CB -0.857 31.622 32.500 -0.035 0.000 0.712 736 K HN 0.340 nan 8.250 nan 0.000 0.441 737 D N -0.272 120.099 120.400 -0.049 0.000 2.348 737 D HA -0.029 4.611 4.640 0.000 0.000 0.248 737 D C 0.288 176.558 176.300 -0.050 0.000 1.142 737 D CA 0.526 54.498 54.000 -0.047 0.000 0.904 737 D CB -0.282 40.489 40.800 -0.047 0.000 0.901 737 D HN 0.375 nan 8.370 nan 0.000 0.523 738 N N -0.467 118.199 118.700 -0.056 0.000 2.197 738 N HA -0.007 4.734 4.740 0.000 0.000 0.201 738 N C 1.462 176.917 175.510 -0.092 0.000 1.148 738 N CA -0.154 52.857 53.050 -0.065 0.000 0.883 738 N CB 0.728 39.182 38.487 -0.055 0.000 1.012 738 N HN 0.085 nan 8.380 nan 0.000 0.507 739 E N 1.360 121.506 120.200 -0.091 0.000 2.086 739 E HA -0.287 4.063 4.350 0.000 0.000 0.200 739 E C 1.426 177.954 176.600 -0.119 0.000 1.012 739 E CA 1.254 57.585 56.400 -0.116 0.000 0.812 739 E CB 0.111 29.762 29.700 -0.083 0.000 0.743 739 E HN -0.006 nan 8.360 nan 0.000 0.453 740 K N 0.593 120.941 120.400 -0.086 0.000 2.585 740 K HA -0.123 4.198 4.320 0.000 0.000 0.194 740 K C 0.649 177.198 176.600 -0.085 0.000 1.037 740 K CA 1.125 57.367 56.287 -0.076 0.000 0.964 740 K CB -0.026 32.441 32.500 -0.055 0.000 0.787 740 K HN 0.162 nan 8.250 nan 0.000 0.488 741 D N -0.976 119.360 120.400 -0.107 0.000 2.388 741 D HA 0.145 4.785 4.640 0.000 0.000 0.208 741 D C 1.288 177.498 176.300 -0.150 0.000 1.035 741 D CA 0.296 54.232 54.000 -0.106 0.000 0.875 741 D CB 0.236 40.982 40.800 -0.090 0.000 0.984 741 D HN 0.195 nan 8.370 nan 0.000 0.508 742 I N 0.574 121.009 120.570 -0.226 0.000 2.614 742 I HA -0.170 4.000 4.170 0.000 0.000 0.258 742 I C 2.122 178.115 176.117 -0.207 0.000 1.189 742 I CA 0.605 61.702 61.300 -0.338 0.000 1.462 742 I CB 0.034 37.708 38.000 -0.542 0.000 1.092 742 I HN -0.076 nan 8.210 nan 0.000 0.442 743 E N 1.567 121.683 120.200 -0.139 0.000 2.065 743 E HA -0.319 4.031 4.350 0.000 0.000 0.201 743 E C 1.603 178.162 176.600 -0.069 0.000 1.016 743 E CA 1.882 58.229 56.400 -0.089 0.000 0.818 743 E CB -0.120 29.540 29.700 -0.067 0.000 0.749 743 E HN 0.308 nan 8.360 nan 0.000 0.453 744 D N -0.868 119.494 120.400 -0.064 0.000 2.349 744 D HA 0.036 4.676 4.640 0.000 0.000 0.224 744 D C -0.183 176.097 176.300 -0.033 0.000 1.029 744 D CA -0.028 53.948 54.000 -0.041 0.000 0.879 744 D CB -0.014 40.766 40.800 -0.034 0.000 0.906 744 D HN 0.198 nan 8.370 nan 0.000 0.528 745 I N 2.313 122.855 120.570 -0.047 0.000 2.578 745 I HA 0.056 4.226 4.170 0.000 0.000 0.286 745 I C -1.842 174.275 176.117 -0.000 0.000 1.126 745 I CA -1.570 59.720 61.300 -0.017 0.000 1.380 745 I CB 0.502 38.491 38.000 -0.018 0.000 1.408 745 I HN -0.140 nan 8.210 nan 0.000 0.532 746 P HA -0.097 nan 4.420 nan 0.000 0.263 746 P C 0.345 177.649 177.300 0.006 0.000 1.168 746 P CA 0.175 63.282 63.100 0.012 0.000 0.759 746 P CB 0.482 32.196 31.700 0.023 0.000 0.782 747 E N 1.631 121.837 120.200 0.009 0.000 2.082 747 E HA -0.285 4.065 4.350 0.000 0.000 0.215 747 E C 1.788 178.383 176.600 -0.008 0.000 1.048 747 E CA 2.534 58.938 56.400 0.007 0.000 0.869 747 E CB -1.594 28.114 29.700 0.014 0.000 0.773 747 E HN 0.428 nan 8.360 nan 0.000 0.466 748 S N 0.367 116.059 115.700 -0.013 0.000 2.380 748 S HA -0.226 4.245 4.470 0.000 0.000 0.229 748 S C 2.161 176.668 174.600 -0.154 0.000 1.043 748 S CA 1.460 59.639 58.200 -0.036 0.000 1.038 748 S CB -0.755 62.446 63.200 0.002 0.000 0.872 748 S HN 0.250 nan 8.310 nan 0.000 0.456 749 V N 1.967 121.754 119.914 -0.213 0.000 2.500 749 V HA 0.096 4.216 4.120 0.000 0.000 0.243 749 V C 2.352 178.332 176.094 -0.190 0.000 1.039 749 V CA 1.341 63.375 62.300 -0.443 0.000 1.053 749 V CB -0.491 31.150 31.823 -0.303 0.000 0.695 749 V HN 0.443 nan 8.190 nan 0.000 0.463 750 R N 0.020 120.520 120.500 -0.001 0.000 2.249 750 R HA -0.209 4.131 4.340 0.000 0.000 0.230 750 R C 2.137 178.488 176.300 0.086 0.000 1.121 750 R CA 2.062 58.263 56.100 0.168 0.000 0.997 750 R CB -0.227 30.156 30.300 0.137 0.000 0.867 750 R HN 0.765 nan 8.270 nan 0.000 0.465 751 E N -1.182 119.014 120.200 -0.006 0.000 2.299 751 E HA -0.026 4.325 4.350 0.000 0.000 0.193 751 E C 1.118 177.712 176.600 -0.009 0.000 0.998 751 E CA 0.727 57.128 56.400 0.001 0.000 0.851 751 E CB 0.207 29.907 29.700 0.000 0.000 0.795 751 E HN 0.493 nan 8.360 nan 0.000 0.492 752 G N 0.462 109.229 108.800 -0.055 0.000 3.233 752 G HA2 0.236 4.197 3.960 0.000 0.000 0.234 752 G HA3 0.236 4.197 3.960 0.000 0.000 0.234 752 G C 0.077 174.956 174.900 -0.034 0.000 1.137 752 G CA -0.273 44.828 45.100 0.002 0.000 0.763 752 G HN 0.008 nan 8.290 nan 0.000 0.549 753 L N 1.346 122.501 121.223 -0.113 0.000 2.386 753 L HA 0.414 4.754 4.340 0.000 0.000 0.271 753 L C -0.325 176.396 176.870 -0.247 0.000 0.993 753 L CA -0.856 53.824 54.840 -0.266 0.000 0.819 753 L CB 2.536 44.259 42.059 -0.560 0.000 1.294 753 L HN 0.043 nan 8.230 nan 0.000 0.414 754 T N -1.000 113.420 114.554 -0.224 0.000 2.832 754 T HA 0.444 4.794 4.350 0.000 0.000 0.313 754 T C -0.381 174.218 174.700 -0.168 0.000 1.035 754 T CA -0.383 61.651 62.100 -0.109 0.000 0.950 754 T CB -0.292 68.555 68.868 -0.035 0.000 0.984 754 T HN 0.127 nan 8.240 nan 0.000 0.486 755 F N 4.001 123.934 119.950 -0.028 0.000 2.468 755 F HA 0.285 4.812 4.527 0.000 0.000 0.356 755 F C 0.635 176.390 175.800 -0.075 0.000 1.167 755 F CA -1.272 56.701 58.000 -0.045 0.000 1.135 755 F CB 0.189 39.166 39.000 -0.039 0.000 1.197 755 F HN 0.400 nan 8.300 nan 0.000 0.569 756 I N 5.748 126.322 120.570 0.007 0.000 2.363 756 I HA 0.123 4.293 4.170 0.000 0.000 0.292 756 I C 0.088 176.165 176.117 -0.066 0.000 1.075 756 I CA -0.393 60.830 61.300 -0.130 0.000 1.333 756 I CB 0.004 37.786 38.000 -0.364 0.000 1.415 756 I HN 0.391 nan 8.210 nan 0.000 0.502 757 L N 5.844 127.039 121.223 -0.047 0.000 2.325 757 L HA 0.809 5.149 4.340 0.000 0.000 0.279 757 L C 0.250 177.094 176.870 -0.043 0.000 1.054 757 L CA -0.542 54.282 54.840 -0.027 0.000 0.804 757 L CB 1.612 43.661 42.059 -0.016 0.000 1.200 757 L HN 0.684 nan 8.230 nan 0.000 0.436 758 A N 1.102 123.902 122.820 -0.032 0.000 2.587 758 A HA 0.671 4.991 4.320 0.000 0.000 0.293 758 A C -0.055 177.507 177.584 -0.038 0.000 1.087 758 A CA -0.240 51.784 52.037 -0.020 0.000 0.692 758 A CB 1.868 20.856 19.000 -0.020 0.000 1.291 758 A HN 0.708 nan 8.150 nan 0.000 0.407 759 S N -0.373 115.309 115.700 -0.030 0.000 2.619 759 S HA 0.310 4.780 4.470 0.000 0.000 0.238 759 S C 0.451 174.806 174.600 -0.409 0.000 1.068 759 S CA 0.078 58.170 58.200 -0.180 0.000 0.926 759 S CB -0.078 63.034 63.200 -0.147 0.000 0.864 759 S HN 0.785 nan 8.310 nan 0.000 0.493 760 H N 0.130 119.192 119.070 -0.014 0.000 2.797 760 H HA 0.447 5.003 4.556 0.000 0.000 0.372 760 H C 0.672 175.963 175.328 -0.063 0.000 1.168 760 H CA -0.835 55.197 56.048 -0.026 0.000 1.163 760 H CB 1.670 31.444 29.762 0.021 0.000 1.778 760 H HN -0.066 nan 8.280 nan 0.000 0.551 761 L N 0.517 121.713 121.223 -0.045 0.000 1.978 761 L HA -0.285 4.055 4.340 0.000 0.000 0.218 761 L C 2.001 178.863 176.870 -0.014 0.000 1.075 761 L CA 1.951 56.701 54.840 -0.149 0.000 0.767 761 L CB -0.505 41.248 42.059 -0.511 0.000 0.890 761 L HN 0.729 nan 8.230 nan 0.000 0.434 762 D N -0.408 120.030 120.400 0.064 0.000 2.170 762 D HA -0.290 4.350 4.640 0.000 0.000 0.193 762 D C 1.767 178.116 176.300 0.083 0.000 1.004 762 D CA 1.578 55.633 54.000 0.091 0.000 0.860 762 D CB -0.498 40.366 40.800 0.106 0.000 0.931 762 D HN 0.520 nan 8.370 nan 0.000 0.448 763 E N 0.463 120.719 120.200 0.094 0.000 2.038 763 E HA -0.146 4.204 4.350 0.000 0.000 0.195 763 E C 2.547 179.208 176.600 0.102 0.000 1.000 763 E CA 1.087 57.549 56.400 0.103 0.000 0.803 763 E CB 0.054 29.811 29.700 0.095 0.000 0.750 763 E HN 0.197 nan 8.360 nan 0.000 0.448 764 V N 1.638 121.584 119.914 0.053 0.000 2.233 764 V HA -0.289 3.831 4.120 0.000 0.000 0.247 764 V C 2.559 178.691 176.094 0.064 0.000 1.050 764 V CA 1.645 63.969 62.300 0.040 0.000 1.010 764 V CB -0.686 31.135 31.823 -0.004 0.000 0.637 764 V HN 0.271 nan 8.190 nan 0.000 0.444 765 L N -0.095 121.152 121.223 0.041 0.000 2.051 765 L HA -0.291 4.050 4.340 0.000 0.000 0.214 765 L C 2.675 179.576 176.870 0.052 0.000 1.076 765 L CA 2.258 57.122 54.840 0.040 0.000 0.758 765 L CB -0.588 41.494 42.059 0.038 0.000 0.890 765 L HN 0.485 nan 8.230 nan 0.000 0.433 766 E N -0.764 119.478 120.200 0.070 0.000 2.110 766 E HA -0.246 4.104 4.350 0.000 0.000 0.193 766 E C 1.927 178.533 176.600 0.011 0.000 0.988 766 E CA 1.307 57.731 56.400 0.041 0.000 0.804 766 E CB 0.076 29.808 29.700 0.053 0.000 0.745 766 E HN 0.560 nan 8.360 nan 0.000 0.458 767 H N -1.588 117.486 119.070 0.007 0.000 2.525 767 H HA 0.227 4.783 4.556 0.000 0.000 0.275 767 H C 1.321 176.647 175.328 -0.004 0.000 0.984 767 H CA 1.030 57.080 56.048 0.003 0.000 1.264 767 H CB 0.587 30.352 29.762 0.005 0.000 1.432 767 H HN 0.209 nan 8.280 nan 0.000 0.549 768 A N -0.250 122.633 122.820 0.104 0.000 2.252 768 A HA 0.260 4.580 4.320 0.000 0.000 0.213 768 A C 0.470 178.068 177.584 0.023 0.000 1.188 768 A CA -0.034 52.035 52.037 0.055 0.000 0.863 768 A CB 0.378 19.402 19.000 0.040 0.000 0.893 768 A HN 0.158 nan 8.150 nan 0.000 0.495 769 L N -0.863 120.370 121.223 0.017 0.000 2.332 769 L HA 0.693 5.033 4.340 0.000 0.000 0.269 769 L C -0.114 176.750 176.870 -0.010 0.000 1.016 769 L CA -0.712 54.130 54.840 0.003 0.000 0.809 769 L CB 1.866 43.927 42.059 0.005 0.000 1.280 769 L HN 0.082 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 4.120 4.120 0.000 0.000 0.244 770 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 770 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556