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 2h1l_1_F DATA FIRST_RESID 265 DATA SEQUENCE TKQVSWKLVT EYAMETKCDD VLLLLGMYLE FQYSFEMCLK CIKKEQPSHY DATA SEQUENCE KYHEKHYANA AIFADSKNQK TICQQAVDTV LAKKRVDSLQ LTREQMLTNR DATA SEQUENCE FNDLLDRMDI MFGSTGSADI EEWMAGVAWL HCLLPKMDSV VYDFLKCMVY DATA SEQUENCE NIPKKRYWLF KGPIDSGKTT LAAALLELCG GKALNVNLPL DRLNFELGVA DATA SEQUENCE IDQFLVVFED VKGTGGESRD LPSGQGINNL DNLRDYLDGS VKVNLEKKHL DATA SEQUENCE NKRTQIFPPG IVTMNEYSVP KTLQARFVKQ IDFRPKDYLK HCLERSEFLL DATA SEQUENCE EKRIIQSGIA LLLMLIWYRP VAEFAQSIQS RIVEWKERLD KEFSLSVYQK DATA SEQUENCE MKFNVAMGIG VLD 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 265 T HA 0.000 nan 4.350 nan 0.000 0.228 265 T C 0.000 174.732 174.700 0.053 0.000 1.109 265 T CA 0.000 62.129 62.100 0.048 0.000 1.349 265 T CB 0.000 68.895 68.868 0.045 0.000 0.612 266 K N 0.342 120.772 120.400 0.050 0.000 2.444 266 K HA 0.280 4.600 4.320 0.000 0.000 0.193 266 K C 0.670 177.308 176.600 0.064 0.000 1.024 266 K CA 0.185 56.502 56.287 0.049 0.000 1.077 266 K CB -0.004 32.520 32.500 0.040 0.000 0.833 266 K HN 0.576 nan 8.250 nan 0.000 0.517 267 Q N 0.703 120.551 119.800 0.079 0.000 2.215 267 Q HA 0.253 4.593 4.340 0.000 0.000 0.256 267 Q C -0.417 175.674 176.000 0.152 0.000 0.972 267 Q CA -0.626 55.245 55.803 0.113 0.000 0.889 267 Q CB 1.656 30.458 28.738 0.106 0.000 1.281 267 Q HN -0.009 nan 8.270 nan 0.000 0.456 268 V N 0.040 120.084 119.914 0.216 0.000 2.953 268 V HA 0.389 4.509 4.120 0.000 0.000 0.304 268 V C -0.035 176.255 176.094 0.326 0.000 1.073 268 V CA -0.670 61.792 62.300 0.270 0.000 1.064 268 V CB 1.496 33.515 31.823 0.327 0.000 1.047 268 V HN 0.721 nan 8.190 nan 0.000 0.478 269 S N 2.538 118.412 115.700 0.291 0.000 2.592 269 S HA 0.248 4.718 4.470 0.000 0.000 0.305 269 S C 0.396 175.186 174.600 0.318 0.000 1.118 269 S CA -0.584 57.783 58.200 0.279 0.000 1.075 269 S CB -0.428 62.895 63.200 0.206 0.000 1.107 269 S HN 0.746 nan 8.310 nan 0.000 0.503 270 W N 3.933 125.268 121.300 0.058 0.000 2.341 270 W HA -0.087 4.573 4.660 0.000 0.000 0.283 270 W C 2.228 178.740 176.519 -0.011 0.000 1.215 270 W CA 0.847 58.207 57.345 0.025 0.000 1.211 270 W CB -0.203 29.275 29.460 0.030 0.000 1.131 270 W HN 0.608 nan 8.180 nan 0.000 0.552 271 K N 0.318 120.864 120.400 0.243 0.000 1.973 271 K HA -0.154 4.166 4.320 0.000 0.000 0.210 271 K C 2.018 178.676 176.600 0.096 0.000 1.045 271 K CA 1.455 57.825 56.287 0.139 0.000 0.937 271 K CB -0.720 31.852 32.500 0.120 0.000 0.721 271 K HN 0.064 nan 8.250 nan 0.000 0.438 272 L N 1.131 122.433 121.223 0.131 0.000 2.137 272 L HA -0.239 4.101 4.340 0.000 0.000 0.213 272 L C 2.375 179.213 176.870 -0.053 0.000 1.085 272 L CA 0.961 55.908 54.840 0.180 0.000 0.760 272 L CB -0.375 41.867 42.059 0.305 0.000 0.893 272 L HN 0.123 nan 8.230 nan 0.000 0.434 273 V N -0.896 118.882 119.914 -0.226 0.000 2.270 273 V HA -0.289 3.831 4.120 0.000 0.000 0.245 273 V C 2.499 178.380 176.094 -0.356 0.000 1.043 273 V CA 2.400 64.329 62.300 -0.618 0.000 1.014 273 V CB -0.796 30.681 31.823 -0.577 0.000 0.645 273 V HN 0.458 nan 8.190 nan 0.000 0.447 274 T N -0.548 113.908 114.554 -0.162 0.000 2.720 274 T HA -0.277 4.073 4.350 0.000 0.000 0.268 274 T C 1.876 176.535 174.700 -0.068 0.000 1.037 274 T CA 1.918 63.962 62.100 -0.095 0.000 1.144 274 T CB -0.289 68.571 68.868 -0.013 0.000 0.864 274 T HN 0.621 nan 8.240 nan 0.000 0.444 275 E N -0.430 119.768 120.200 -0.003 0.000 2.097 275 E HA -0.212 4.138 4.350 0.000 0.000 0.196 275 E C 1.976 178.619 176.600 0.071 0.000 1.000 275 E CA 1.197 57.640 56.400 0.071 0.000 0.804 275 E CB -0.173 29.630 29.700 0.172 0.000 0.740 275 E HN 0.648 nan 8.360 nan 0.000 0.454 276 Y N 0.316 120.512 120.300 -0.175 0.000 2.206 276 Y HA 0.027 4.577 4.550 -0.000 0.000 0.292 276 Y C 1.975 177.699 175.900 -0.293 0.000 1.123 276 Y CA 1.349 59.284 58.100 -0.275 0.000 1.142 276 Y CB -0.609 37.504 38.460 -0.579 0.000 1.006 276 Y HN 0.073 nan 8.280 nan 0.000 0.518 277 A N -0.338 122.276 122.820 -0.343 0.000 2.186 277 A HA -0.183 4.137 4.320 0.000 0.000 0.219 277 A C 2.053 179.460 177.584 -0.295 0.000 1.159 277 A CA 1.919 53.733 52.037 -0.373 0.000 0.680 277 A CB -0.760 18.091 19.000 -0.248 0.000 0.787 277 A HN 0.606 nan 8.150 nan 0.000 0.467 278 M N -1.304 118.164 119.600 -0.220 0.000 2.556 278 M HA 0.138 4.618 4.480 0.000 0.000 0.264 278 M C 1.345 177.559 176.300 -0.143 0.000 1.163 278 M CA 1.023 56.240 55.300 -0.138 0.000 1.186 278 M CB 0.055 32.618 32.600 -0.063 0.000 1.321 278 M HN 0.222 nan 8.290 nan 0.000 0.485 279 E N -0.233 119.873 120.200 -0.156 0.000 2.515 279 E HA -0.037 4.313 4.350 0.000 0.000 0.201 279 E C 1.054 177.517 176.600 -0.229 0.000 1.071 279 E CA 1.395 57.739 56.400 -0.093 0.000 0.880 279 E CB -0.187 29.565 29.700 0.086 0.000 0.828 279 E HN 0.667 nan 8.360 nan 0.000 0.540 280 T N -2.459 111.865 114.554 -0.384 0.000 3.058 280 T HA 0.091 4.441 4.350 0.000 0.000 0.278 280 T C 0.442 174.987 174.700 -0.258 0.000 0.974 280 T CA -0.518 61.349 62.100 -0.389 0.000 0.893 280 T CB 0.405 68.862 68.868 -0.686 0.000 1.138 280 T HN -0.118 nan 8.240 nan 0.000 0.529 281 K N 0.058 120.329 120.400 -0.215 0.000 3.096 281 K HA -0.164 4.156 4.320 0.000 0.000 0.266 281 K C -0.078 176.427 176.600 -0.157 0.000 1.043 281 K CA 0.270 56.468 56.287 -0.148 0.000 0.758 281 K CB -2.869 29.568 32.500 -0.104 0.000 1.260 281 K HN 0.595 nan 8.250 nan 0.000 0.481 282 C N 2.926 122.102 119.300 -0.207 0.000 2.464 282 C HA 0.134 4.594 4.460 0.000 0.000 0.370 282 C C 1.680 176.591 174.990 -0.132 0.000 1.267 282 C CA -0.026 58.882 59.018 -0.184 0.000 1.781 282 C CB -0.276 27.315 27.740 -0.248 0.000 2.431 282 C HN 0.609 nan 8.230 nan 0.000 0.556 283 D N 2.569 122.910 120.400 -0.098 0.000 2.417 283 D HA -0.002 4.638 4.640 0.000 0.000 0.207 283 D C 0.068 176.331 176.300 -0.061 0.000 1.075 283 D CA 0.098 54.055 54.000 -0.072 0.000 0.851 283 D CB -0.139 40.628 40.800 -0.056 0.000 0.976 283 D HN 0.534 nan 8.370 nan 0.000 0.505 284 D N 1.497 121.856 120.400 -0.067 0.000 2.347 284 D HA 0.084 4.724 4.640 0.000 0.000 0.235 284 D C 1.567 177.832 176.300 -0.058 0.000 1.149 284 D CA -0.348 53.620 54.000 -0.054 0.000 0.850 284 D CB 2.224 42.993 40.800 -0.051 0.000 1.061 284 D HN -0.242 nan 8.370 nan 0.000 0.487 285 V N 4.952 124.838 119.914 -0.047 0.000 2.287 285 V HA -0.262 3.858 4.120 0.000 0.000 0.248 285 V C 2.571 178.641 176.094 -0.039 0.000 1.053 285 V CA 1.361 63.633 62.300 -0.047 0.000 1.027 285 V CB -0.416 31.388 31.823 -0.033 0.000 0.646 285 V HN 0.625 nan 8.190 nan 0.000 0.447 286 L N -1.016 120.188 121.223 -0.031 0.000 1.976 286 L HA -0.200 4.140 4.340 0.000 0.000 0.209 286 L C 2.513 179.364 176.870 -0.032 0.000 1.071 286 L CA 1.633 56.458 54.840 -0.025 0.000 0.746 286 L CB -0.666 41.380 42.059 -0.021 0.000 0.890 286 L HN 0.336 nan 8.230 nan 0.000 0.432 287 L N -0.113 121.086 121.223 -0.041 0.000 2.034 287 L HA -0.282 4.058 4.340 0.000 0.000 0.217 287 L C 2.390 179.228 176.870 -0.053 0.000 1.077 287 L CA 1.785 56.596 54.840 -0.049 0.000 0.769 287 L CB -0.575 41.450 42.059 -0.057 0.000 0.890 287 L HN 0.159 nan 8.230 nan 0.000 0.435 288 L N -1.007 120.178 121.223 -0.063 0.000 1.955 288 L HA -0.220 4.120 4.340 0.000 0.000 0.213 288 L C 2.400 179.245 176.870 -0.041 0.000 1.072 288 L CA 2.233 57.032 54.840 -0.068 0.000 0.755 288 L CB -1.099 40.893 42.059 -0.113 0.000 0.888 288 L HN 0.410 nan 8.230 nan 0.000 0.432 289 L N 0.101 121.315 121.223 -0.016 0.000 2.010 289 L HA -0.189 4.151 4.340 0.000 0.000 0.219 289 L C 2.314 179.201 176.870 0.028 0.000 1.077 289 L CA 2.508 57.384 54.840 0.061 0.000 0.773 289 L CB -1.573 40.519 42.059 0.056 0.000 0.892 289 L HN 0.402 nan 8.230 nan 0.000 0.436 290 G N -1.438 107.349 108.800 -0.023 0.000 2.408 290 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 290 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 290 G C 1.528 176.347 174.900 -0.136 0.000 1.150 290 G CA 0.876 45.938 45.100 -0.063 0.000 0.776 290 G HN 0.327 nan 8.290 nan 0.000 0.542 291 M N -0.583 118.942 119.600 -0.126 0.000 2.117 291 M HA 0.013 4.493 4.480 0.000 0.000 0.262 291 M C 2.268 178.261 176.300 -0.512 0.000 1.065 291 M CA 0.926 56.102 55.300 -0.206 0.000 1.114 291 M CB -0.836 31.758 32.600 -0.011 0.000 1.361 291 M HN 0.340 nan 8.290 nan 0.000 0.408 292 Y N 0.432 120.401 120.300 -0.552 0.000 2.516 292 Y HA -0.013 4.537 4.550 0.000 0.000 0.291 292 Y C 2.012 177.556 175.900 -0.593 0.000 1.131 292 Y CA 0.832 58.467 58.100 -0.775 0.000 1.281 292 Y CB -0.378 37.717 38.460 -0.608 0.000 1.013 292 Y HN 0.128 nan 8.280 nan 0.000 0.554 293 L N -0.515 120.513 121.223 -0.325 0.000 2.217 293 L HA -0.149 4.191 4.340 0.000 0.000 0.211 293 L C 1.903 178.486 176.870 -0.478 0.000 1.107 293 L CA 1.119 55.795 54.840 -0.274 0.000 0.783 293 L CB -0.348 41.627 42.059 -0.141 0.000 0.919 293 L HN 0.184 nan 8.230 nan 0.000 0.442 294 E N -0.181 119.682 120.200 -0.562 0.000 2.409 294 E HA -0.159 4.191 4.350 0.000 0.000 0.198 294 E C 1.468 177.839 176.600 -0.383 0.000 1.024 294 E CA 0.770 56.882 56.400 -0.479 0.000 0.861 294 E CB 0.027 29.453 29.700 -0.456 0.000 0.788 294 E HN 0.429 nan 8.360 nan 0.000 0.521 295 F N 1.354 120.970 119.950 -0.556 0.000 2.797 295 F HA 0.021 4.548 4.527 0.000 0.000 0.302 295 F C 2.380 177.951 175.800 -0.381 0.000 1.130 295 F CA 0.232 57.692 58.000 -0.901 0.000 1.387 295 F CB -0.510 38.035 39.000 -0.759 0.000 1.107 295 F HN 0.060 nan 8.300 nan 0.000 0.577 296 Q N -0.397 119.256 119.800 -0.244 0.000 2.167 296 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 296 Q C 0.085 176.152 176.000 0.111 0.000 0.970 296 Q CA 1.064 56.753 55.803 -0.191 0.000 0.855 296 Q CB -0.624 27.933 28.738 -0.302 0.000 0.911 296 Q HN 0.231 nan 8.270 nan 0.000 0.438 297 Y N 2.637 123.144 120.300 0.345 0.000 2.296 297 Y HA 0.127 4.677 4.550 0.000 0.000 0.343 297 Y C 0.897 177.178 175.900 0.634 0.000 1.292 297 Y CA -1.418 56.923 58.100 0.402 0.000 1.490 297 Y CB 0.254 38.904 38.460 0.316 0.000 1.359 297 Y HN 0.128 nan 8.280 nan 0.000 0.599 298 S N 1.165 117.220 115.700 0.592 0.000 2.546 298 S HA -0.058 4.412 4.470 0.000 0.000 0.290 298 S C 0.758 175.376 174.600 0.031 0.000 1.290 298 S CA -0.577 57.803 58.200 0.299 0.000 1.069 298 S CB -0.189 63.085 63.200 0.122 0.000 0.846 298 S HN 0.612 nan 8.310 nan 0.000 0.495 299 F N 4.018 123.692 119.950 -0.461 0.000 2.113 299 F HA -0.046 4.481 4.527 0.000 0.000 0.297 299 F C 2.396 178.008 175.800 -0.314 0.000 1.103 299 F CA 1.796 59.440 58.000 -0.593 0.000 1.248 299 F CB -0.580 38.047 39.000 -0.622 0.000 0.999 299 F HN 0.802 nan 8.300 nan 0.000 0.475 300 E N 0.380 120.271 120.200 -0.516 0.000 2.393 300 E HA -0.244 4.106 4.350 0.000 0.000 0.201 300 E C 1.160 177.543 176.600 -0.361 0.000 1.025 300 E CA 1.320 57.419 56.400 -0.501 0.000 0.856 300 E CB -0.845 28.705 29.700 -0.249 0.000 0.771 300 E HN 0.548 nan 8.360 nan 0.000 0.526 301 M N 0.701 120.144 119.600 -0.263 0.000 2.875 301 M HA 0.165 4.645 4.480 0.000 0.000 0.403 301 M C -0.543 175.712 176.300 -0.075 0.000 1.304 301 M CA -0.490 54.724 55.300 -0.143 0.000 0.854 301 M CB 1.410 33.966 32.600 -0.074 0.000 1.415 301 M HN 0.056 nan 8.290 nan 0.000 0.505 302 C N 2.314 121.546 119.300 -0.114 0.000 2.322 302 C HA 0.229 4.689 4.460 0.000 0.000 0.343 302 C C 1.686 176.715 174.990 0.065 0.000 1.190 302 C CA -0.664 58.394 59.018 0.066 0.000 1.704 302 C CB -0.379 27.452 27.740 0.151 0.000 2.293 302 C HN 0.588 nan 8.230 nan 0.000 0.523 303 L N 5.036 126.317 121.223 0.096 0.000 2.291 303 L HA -0.018 4.322 4.340 0.000 0.000 0.214 303 L C 2.483 179.433 176.870 0.133 0.000 1.120 303 L CA 1.506 56.391 54.840 0.075 0.000 0.799 303 L CB -1.046 41.050 42.059 0.061 0.000 0.925 303 L HN 0.771 nan 8.230 nan 0.000 0.446 304 K N -0.508 120.033 120.400 0.234 0.000 2.097 304 K HA -0.133 4.187 4.320 0.000 0.000 0.206 304 K C 2.210 179.029 176.600 0.365 0.000 1.049 304 K CA 1.555 58.040 56.287 0.329 0.000 0.933 304 K CB -0.092 32.692 32.500 0.473 0.000 0.717 304 K HN 0.369 nan 8.250 nan 0.000 0.442 305 C N 0.461 119.947 119.300 0.311 0.000 2.518 305 C HA -0.005 4.455 4.460 0.000 0.000 0.279 305 C C 2.493 177.501 174.990 0.028 0.000 1.279 305 C CA -0.250 58.893 59.018 0.208 0.000 1.703 305 C CB -0.624 27.203 27.740 0.145 0.000 2.072 305 C HN 0.403 nan 8.230 nan 0.000 0.487 306 I N 1.436 122.003 120.570 -0.005 0.000 2.423 306 I HA -0.180 3.990 4.170 0.000 0.000 0.254 306 I C 2.079 178.174 176.117 -0.036 0.000 1.151 306 I CA 1.696 62.966 61.300 -0.051 0.000 1.421 306 I CB -0.350 37.617 38.000 -0.055 0.000 1.079 306 I HN 0.309 nan 8.210 nan 0.000 0.431 307 K N 0.110 120.518 120.400 0.012 0.000 2.352 307 K HA 0.092 4.412 4.320 0.000 0.000 0.194 307 K C -0.146 176.460 176.600 0.010 0.000 1.038 307 K CA -0.128 56.171 56.287 0.020 0.000 1.023 307 K CB 0.349 32.885 32.500 0.059 0.000 0.840 307 K HN -0.035 nan 8.250 nan 0.000 0.519 308 K N 1.750 122.140 120.400 -0.017 0.000 4.387 308 K HA -0.201 4.119 4.320 0.000 0.000 0.290 308 K C 0.271 177.011 176.600 0.232 0.000 0.936 308 K CA 1.065 57.270 56.287 -0.136 0.000 0.890 308 K CB -1.550 30.706 32.500 -0.406 0.000 1.617 308 K HN 0.686 nan 8.250 nan 0.000 0.437 309 E N -0.462 119.982 120.200 0.408 0.000 2.228 309 E HA 0.019 4.369 4.350 0.000 0.000 0.197 309 E C -0.031 176.755 176.600 0.310 0.000 0.909 309 E CA -0.215 56.367 56.400 0.303 0.000 0.911 309 E CB 0.200 30.026 29.700 0.210 0.000 0.887 309 E HN 0.252 nan 8.360 nan 0.000 0.481 310 Q N 1.149 121.144 119.800 0.325 0.000 2.456 310 Q HA 0.247 4.587 4.340 0.000 0.000 0.252 310 Q C -2.186 173.706 176.000 -0.181 0.000 1.042 310 Q CA -2.115 53.768 55.803 0.134 0.000 0.766 310 Q CB 1.772 30.605 28.738 0.159 0.000 1.196 310 Q HN 0.048 nan 8.270 nan 0.000 0.504 311 P HA -0.214 nan 4.420 nan 0.000 0.217 311 P C 1.135 178.252 177.300 -0.304 0.000 1.151 311 P CA 1.539 64.123 63.100 -0.860 0.000 0.849 311 P CB 0.261 31.817 31.700 -0.239 0.000 0.787 312 S N -2.938 112.760 115.700 -0.004 0.000 2.595 312 S HA -0.159 4.311 4.470 0.000 0.000 0.235 312 S C 1.613 176.491 174.600 0.463 0.000 0.974 312 S CA 1.119 59.440 58.200 0.201 0.000 0.942 312 S CB -0.962 62.289 63.200 0.086 0.000 0.766 312 S HN 0.315 nan 8.310 nan 0.000 0.536 313 H N 1.148 120.369 119.070 0.251 0.000 2.249 313 H HA 0.147 4.703 4.556 0.000 0.000 0.261 313 H C 1.441 177.044 175.328 0.458 0.000 0.976 313 H CA 0.537 56.867 56.048 0.471 0.000 1.322 313 H CB -0.811 29.166 29.762 0.359 0.000 1.418 313 H HN 0.366 nan 8.280 nan 0.000 0.561 314 Y N 0.950 121.343 120.300 0.155 0.000 2.751 314 Y HA 0.181 4.731 4.550 0.000 0.000 0.310 314 Y C 0.929 176.849 175.900 0.034 0.000 1.176 314 Y CA 0.304 58.427 58.100 0.038 0.000 1.360 314 Y CB -0.572 37.962 38.460 0.125 0.000 0.999 314 Y HN 0.136 nan 8.280 nan 0.000 0.532 315 K N -1.453 119.007 120.400 0.100 0.000 2.402 315 K HA 0.173 4.493 4.320 0.000 0.000 0.203 315 K C -0.276 176.034 176.600 -0.483 0.000 1.077 315 K CA 0.187 56.380 56.287 -0.157 0.000 1.051 315 K CB 0.303 32.594 32.500 -0.349 0.000 0.907 315 K HN 0.358 nan 8.250 nan 0.000 0.554 316 Y N -1.781 118.472 120.300 -0.079 0.000 2.499 316 Y HA 0.165 4.715 4.550 0.000 0.000 0.253 316 Y C 1.705 177.158 175.900 -0.746 0.000 1.105 316 Y CA -0.560 57.400 58.100 -0.234 0.000 1.240 316 Y CB -0.137 38.380 38.460 0.095 0.000 1.289 316 Y HN 0.103 nan 8.280 nan 0.000 0.534 317 H N 1.263 119.871 119.070 -0.771 0.000 2.274 317 H HA -0.223 4.333 4.556 0.000 0.000 0.296 317 H C 2.309 177.290 175.328 -0.578 0.000 1.061 317 H CA 2.270 57.814 56.048 -0.841 0.000 1.226 317 H CB 0.163 29.832 29.762 -0.155 0.000 1.370 317 H HN 0.382 nan 8.280 nan 0.000 0.507 318 E N 0.405 120.221 120.200 -0.641 0.000 2.108 318 E HA -0.315 4.035 4.350 0.000 0.000 0.203 318 E C 2.213 178.528 176.600 -0.474 0.000 1.022 318 E CA 1.922 57.689 56.400 -1.054 0.000 0.823 318 E CB -0.045 28.477 29.700 -1.962 0.000 0.744 318 E HN 0.342 nan 8.360 nan 0.000 0.456 319 K N -0.710 119.421 120.400 -0.448 0.000 2.057 319 K HA -0.124 4.196 4.320 0.000 0.000 0.207 319 K C 1.909 178.288 176.600 -0.367 0.000 1.049 319 K CA 1.612 57.660 56.287 -0.397 0.000 0.931 319 K CB -0.003 32.213 32.500 -0.473 0.000 0.714 319 K HN 0.300 nan 8.250 nan 0.000 0.440 320 H N -1.669 117.291 119.070 -0.184 0.000 2.551 320 H HA -0.001 4.555 4.556 0.000 0.000 0.271 320 H C 1.038 176.318 175.328 -0.080 0.000 0.984 320 H CA 0.106 56.094 56.048 -0.100 0.000 1.164 320 H CB 0.118 29.843 29.762 -0.061 0.000 1.437 320 H HN 0.244 nan 8.280 nan 0.000 0.550 321 Y N 2.452 122.734 120.300 -0.030 0.000 2.002 321 Y HA -0.375 4.175 4.550 0.000 0.000 0.268 321 Y C 2.551 178.491 175.900 0.066 0.000 1.177 321 Y CA 2.212 60.375 58.100 0.105 0.000 1.111 321 Y CB -0.511 38.022 38.460 0.121 0.000 0.952 321 Y HN 0.164 nan 8.280 nan 0.000 0.491 322 A N 0.298 123.131 122.820 0.022 0.000 1.849 322 A HA -0.352 3.968 4.320 0.000 0.000 0.217 322 A C 2.191 179.725 177.584 -0.083 0.000 1.202 322 A CA 2.414 54.402 52.037 -0.082 0.000 0.629 322 A CB -1.479 17.566 19.000 0.074 0.000 0.834 322 A HN 0.688 nan 8.150 nan 0.000 0.447 323 N N -0.183 118.533 118.700 0.027 0.000 2.137 323 N HA -0.113 4.627 4.740 0.000 0.000 0.190 323 N C 1.688 177.205 175.510 0.012 0.000 1.017 323 N CA 1.939 55.043 53.050 0.089 0.000 0.859 323 N CB -0.333 38.291 38.487 0.229 0.000 1.002 323 N HN 0.437 nan 8.380 nan 0.000 0.428 324 A N 0.249 122.955 122.820 -0.189 0.000 1.877 324 A HA 0.012 4.332 4.320 0.000 0.000 0.216 324 A C 2.356 179.854 177.584 -0.144 0.000 1.186 324 A CA 1.894 53.717 52.037 -0.356 0.000 0.620 324 A CB -1.300 17.402 19.000 -0.496 0.000 0.822 324 A HN 0.421 nan 8.150 nan 0.000 0.443 325 A N 0.055 122.743 122.820 -0.220 0.000 1.908 325 A HA -0.134 4.186 4.320 0.000 0.000 0.218 325 A C 2.085 179.624 177.584 -0.075 0.000 1.181 325 A CA 1.693 53.618 52.037 -0.187 0.000 0.627 325 A CB -0.663 18.153 19.000 -0.308 0.000 0.818 325 A HN 0.533 nan 8.150 nan 0.000 0.445 326 I N -2.073 118.480 120.570 -0.028 0.000 2.546 326 I HA -0.144 4.026 4.170 0.000 0.000 0.255 326 I C 2.275 178.428 176.117 0.059 0.000 1.163 326 I CA 0.945 62.260 61.300 0.025 0.000 1.457 326 I CB -0.312 37.725 38.000 0.061 0.000 1.092 326 I HN 0.408 nan 8.210 nan 0.000 0.434 327 F N 2.330 122.242 119.950 -0.063 0.000 2.113 327 F HA -0.150 4.377 4.527 0.000 0.000 0.297 327 F C 2.540 178.297 175.800 -0.071 0.000 1.103 327 F CA 1.290 59.261 58.000 -0.049 0.000 1.248 327 F CB -0.418 38.548 39.000 -0.056 0.000 0.999 327 F HN -0.005 nan 8.300 nan 0.000 0.475 328 A N -0.406 122.315 122.820 -0.165 0.000 2.032 328 A HA -0.240 4.080 4.320 0.000 0.000 0.221 328 A C 1.196 178.650 177.584 -0.217 0.000 1.165 328 A CA 2.035 53.935 52.037 -0.228 0.000 0.645 328 A CB -1.085 17.845 19.000 -0.117 0.000 0.807 328 A HN 0.510 nan 8.150 nan 0.000 0.453 329 D N -0.630 119.677 120.400 -0.155 0.000 2.706 329 D HA 0.298 4.938 4.640 0.000 0.000 0.236 329 D C 0.017 176.245 176.300 -0.121 0.000 1.231 329 D CA 0.145 54.079 54.000 -0.109 0.000 0.828 329 D CB 0.339 41.108 40.800 -0.052 0.000 1.015 329 D HN 0.215 nan 8.370 nan 0.000 0.484 330 S N -0.146 115.423 115.700 -0.219 0.000 2.621 330 S HA 0.352 4.822 4.470 0.000 0.000 0.302 330 S C 0.659 175.153 174.600 -0.177 0.000 1.093 330 S CA -0.740 57.348 58.200 -0.186 0.000 1.017 330 S CB 1.067 64.112 63.200 -0.259 0.000 1.077 330 S HN 0.018 nan 8.310 nan 0.000 0.517 331 K N 1.526 121.867 120.400 -0.098 0.000 2.358 331 K HA 0.310 4.630 4.320 0.000 0.000 0.200 331 K C -0.076 176.487 176.600 -0.062 0.000 1.030 331 K CA -0.114 56.129 56.287 -0.074 0.000 1.097 331 K CB 0.246 32.728 32.500 -0.030 0.000 0.862 331 K HN 0.362 nan 8.250 nan 0.000 0.534 332 N N 1.393 120.047 118.700 -0.077 0.000 2.517 332 N HA 0.071 4.811 4.740 0.000 0.000 0.285 332 N C 0.381 175.811 175.510 -0.133 0.000 1.528 332 N CA 0.058 53.074 53.050 -0.057 0.000 0.892 332 N CB 0.964 39.477 38.487 0.043 0.000 1.356 332 N HN 0.185 nan 8.380 nan 0.000 0.495 333 Q N 0.755 120.434 119.800 -0.203 0.000 2.133 333 Q HA -0.186 4.154 4.340 0.000 0.000 0.208 333 Q C 1.733 177.724 176.000 -0.016 0.000 0.991 333 Q CA 1.589 57.273 55.803 -0.198 0.000 0.867 333 Q CB 0.137 28.660 28.738 -0.359 0.000 0.911 333 Q HN 0.303 nan 8.270 nan 0.000 0.417 334 K N -0.080 120.286 120.400 -0.056 0.000 1.984 334 K HA -0.105 4.215 4.320 0.000 0.000 0.209 334 K C 2.191 178.742 176.600 -0.083 0.000 1.046 334 K CA 1.641 57.903 56.287 -0.042 0.000 0.934 334 K CB 0.010 32.491 32.500 -0.032 0.000 0.717 334 K HN 0.128 nan 8.250 nan 0.000 0.438 335 T N 1.628 116.125 114.554 -0.095 0.000 2.778 335 T HA -0.164 4.186 4.350 0.000 0.000 0.269 335 T C 1.786 176.284 174.700 -0.336 0.000 1.050 335 T CA 1.360 63.396 62.100 -0.108 0.000 1.137 335 T CB -0.176 68.690 68.868 -0.003 0.000 0.860 335 T HN 0.183 nan 8.240 nan 0.000 0.468 336 I N 0.403 120.631 120.570 -0.570 0.000 2.286 336 I HA -0.147 4.023 4.170 0.000 0.000 0.245 336 I C 2.535 178.383 176.117 -0.448 0.000 1.104 336 I CA 0.804 61.525 61.300 -0.965 0.000 1.397 336 I CB -0.314 37.201 38.000 -0.807 0.000 1.072 336 I HN 0.322 nan 8.210 nan 0.000 0.417 337 C N 0.089 119.247 119.300 -0.236 0.000 2.440 337 C HA -0.106 4.354 4.460 0.000 0.000 0.278 337 C C 2.791 177.707 174.990 -0.123 0.000 1.295 337 C CA 0.286 59.203 59.018 -0.168 0.000 1.738 337 C CB -0.902 26.784 27.740 -0.090 0.000 1.987 337 C HN 0.503 nan 8.230 nan 0.000 0.492 338 Q N 0.872 120.616 119.800 -0.094 0.000 1.956 338 Q HA -0.298 4.042 4.340 0.000 0.000 0.208 338 Q C 2.167 178.154 176.000 -0.021 0.000 0.998 338 Q CA 2.058 57.836 55.803 -0.042 0.000 0.855 338 Q CB -0.957 27.774 28.738 -0.012 0.000 0.928 338 Q HN 0.805 nan 8.270 nan 0.000 0.418 339 Q N 0.002 119.809 119.800 0.012 0.000 2.181 339 Q HA -0.135 4.205 4.340 0.000 0.000 0.205 339 Q C 1.820 177.833 176.000 0.021 0.000 0.980 339 Q CA 1.466 57.311 55.803 0.070 0.000 0.862 339 Q CB -0.113 28.759 28.738 0.222 0.000 0.905 339 Q HN 0.370 nan 8.270 nan 0.000 0.429 340 A N -0.226 122.566 122.820 -0.046 0.000 2.019 340 A HA -0.078 4.242 4.320 0.000 0.000 0.219 340 A C 2.010 179.545 177.584 -0.081 0.000 1.164 340 A CA 1.369 53.356 52.037 -0.082 0.000 0.644 340 A CB -0.163 18.734 19.000 -0.173 0.000 0.805 340 A HN 0.311 nan 8.150 nan 0.000 0.449 341 V N -0.191 119.682 119.914 -0.068 0.000 2.685 341 V HA -0.090 4.030 4.120 0.000 0.000 0.244 341 V C 1.714 177.786 176.094 -0.037 0.000 1.054 341 V CA 1.436 63.698 62.300 -0.063 0.000 1.076 341 V CB -0.532 31.255 31.823 -0.059 0.000 0.725 341 V HN 0.415 nan 8.190 nan 0.000 0.467 342 D N 0.275 120.665 120.400 -0.016 0.000 2.311 342 D HA -0.128 4.512 4.640 0.000 0.000 0.212 342 D C 2.110 178.408 176.300 -0.003 0.000 0.972 342 D CA 1.511 55.510 54.000 -0.002 0.000 0.887 342 D CB 0.015 40.825 40.800 0.018 0.000 0.915 342 D HN 0.376 nan 8.370 nan 0.000 0.497 343 T N 0.018 114.567 114.554 -0.009 0.000 2.814 343 T HA -0.042 4.308 4.350 0.000 0.000 0.254 343 T C 2.262 176.947 174.700 -0.024 0.000 1.037 343 T CA 0.503 62.597 62.100 -0.010 0.000 1.143 343 T CB -0.041 68.822 68.868 -0.008 0.000 0.866 343 T HN -0.048 nan 8.240 nan 0.000 0.431 344 V N 1.852 121.741 119.914 -0.043 0.000 2.568 344 V HA -0.110 4.010 4.120 0.000 0.000 0.253 344 V C 2.355 178.425 176.094 -0.039 0.000 1.072 344 V CA 1.416 63.684 62.300 -0.053 0.000 1.084 344 V CB -0.750 31.025 31.823 -0.079 0.000 0.676 344 V HN 0.417 nan 8.190 nan 0.000 0.469 345 L N -0.424 120.780 121.223 -0.031 0.000 2.209 345 L HA 0.031 4.371 4.340 0.000 0.000 0.207 345 L C 2.702 179.563 176.870 -0.015 0.000 1.094 345 L CA 1.026 55.853 54.840 -0.023 0.000 0.790 345 L CB -0.631 41.418 42.059 -0.018 0.000 0.932 345 L HN 0.341 nan 8.230 nan 0.000 0.447 346 A N 0.514 123.327 122.820 -0.011 0.000 1.858 346 A HA -0.273 4.047 4.320 0.000 0.000 0.216 346 A C 2.343 179.923 177.584 -0.007 0.000 1.190 346 A CA 2.079 54.112 52.037 -0.006 0.000 0.617 346 A CB -0.463 18.537 19.000 -0.001 0.000 0.827 346 A HN 0.279 nan 8.150 nan 0.000 0.443 347 K N -0.154 120.240 120.400 -0.010 0.000 2.032 347 K HA -0.247 4.073 4.320 0.000 0.000 0.209 347 K C 2.134 178.728 176.600 -0.010 0.000 1.048 347 K CA 1.977 58.259 56.287 -0.009 0.000 0.927 347 K CB -0.168 32.325 32.500 -0.012 0.000 0.712 347 K HN 0.314 nan 8.250 nan 0.000 0.441 348 K N 0.913 121.305 120.400 -0.014 0.000 2.089 348 K HA -0.242 4.078 4.320 0.000 0.000 0.210 348 K C 2.107 178.703 176.600 -0.007 0.000 1.048 348 K CA 1.780 58.059 56.287 -0.013 0.000 0.926 348 K CB -0.233 32.256 32.500 -0.019 0.000 0.714 348 K HN 0.017 nan 8.250 nan 0.000 0.448 349 R N 0.236 120.732 120.500 -0.008 0.000 2.057 349 R HA 0.011 4.351 4.340 0.000 0.000 0.229 349 R C 2.043 178.341 176.300 -0.003 0.000 1.136 349 R CA 1.810 57.907 56.100 -0.006 0.000 0.952 349 R CB -0.876 29.421 30.300 -0.006 0.000 0.848 349 R HN 0.120 nan 8.270 nan 0.000 0.430 350 V N 1.524 121.436 119.914 -0.003 0.000 2.324 350 V HA -0.275 3.845 4.120 0.000 0.000 0.250 350 V C 1.653 177.747 176.094 -0.000 0.000 1.060 350 V CA 2.367 64.666 62.300 -0.001 0.000 1.042 350 V CB -0.662 31.160 31.823 -0.001 0.000 0.650 350 V HN 0.344 nan 8.190 nan 0.000 0.450 351 D N -0.244 120.156 120.400 0.000 0.000 2.097 351 D HA -0.111 4.529 4.640 0.000 0.000 0.197 351 D C 2.431 178.736 176.300 0.008 0.000 0.984 351 D CA 1.478 55.480 54.000 0.003 0.000 0.826 351 D CB -0.352 40.449 40.800 0.003 0.000 0.973 351 D HN 0.290 nan 8.370 nan 0.000 0.460 352 S N -0.402 115.302 115.700 0.007 0.000 2.440 352 S HA -0.130 4.340 4.470 0.000 0.000 0.240 352 S C 1.407 176.008 174.600 0.001 0.000 1.014 352 S CA 0.699 58.903 58.200 0.008 0.000 0.980 352 S CB 0.067 63.266 63.200 -0.000 0.000 0.775 352 S HN 0.091 nan 8.310 nan 0.000 0.499 353 L N 0.360 121.583 121.223 -0.000 0.000 2.546 353 L HA 0.260 4.600 4.340 0.000 0.000 0.182 353 L C 2.038 178.908 176.870 -0.001 0.000 1.167 353 L CA 1.134 55.972 54.840 -0.003 0.000 0.845 353 L CB -1.380 40.677 42.059 -0.004 0.000 1.134 353 L HN 0.076 nan 8.230 nan 0.000 0.500 354 Q N 0.091 119.891 119.800 0.000 0.000 2.576 354 Q HA -0.042 4.298 4.340 0.000 0.000 0.218 354 Q C -0.067 175.934 176.000 0.002 0.000 0.983 354 Q CA 0.631 56.434 55.803 0.001 0.000 0.920 354 Q CB -0.019 28.720 28.738 0.001 0.000 0.973 354 Q HN 0.328 nan 8.270 nan 0.000 0.528 355 L N -0.208 121.018 121.223 0.004 0.000 2.303 355 L HA 0.350 4.690 4.340 0.000 0.000 0.266 355 L C 0.343 177.217 176.870 0.006 0.000 1.011 355 L CA -0.861 53.982 54.840 0.005 0.000 0.818 355 L CB 1.937 44.001 42.059 0.008 0.000 1.326 355 L HN -0.043 nan 8.230 nan 0.000 0.435 356 T N -2.438 112.118 114.554 0.003 0.000 2.882 356 T HA 0.300 4.650 4.350 0.000 0.000 0.287 356 T C 1.023 175.730 174.700 0.012 0.000 0.992 356 T CA -0.661 61.439 62.100 0.000 0.000 1.076 356 T CB 1.211 70.073 68.868 -0.009 0.000 0.961 356 T HN 0.563 nan 8.240 nan 0.000 0.490 357 R N 1.016 121.528 120.500 0.019 0.000 2.139 357 R HA -0.123 4.217 4.340 0.000 0.000 0.243 357 R C 2.227 178.571 176.300 0.073 0.000 1.145 357 R CA 1.387 57.544 56.100 0.095 0.000 0.976 357 R CB -0.195 30.118 30.300 0.022 0.000 0.866 357 R HN 0.713 nan 8.270 nan 0.000 0.449 358 E N 1.038 121.219 120.200 -0.031 0.000 2.110 358 E HA -0.206 4.144 4.350 0.000 0.000 0.193 358 E C 1.962 178.503 176.600 -0.098 0.000 0.988 358 E CA 1.346 57.688 56.400 -0.098 0.000 0.804 358 E CB 0.106 29.739 29.700 -0.112 0.000 0.745 358 E HN 0.479 nan 8.360 nan 0.000 0.458 359 Q N -0.393 119.375 119.800 -0.054 0.000 2.049 359 Q HA -0.076 4.264 4.340 0.000 0.000 0.198 359 Q C 2.360 178.322 176.000 -0.063 0.000 0.971 359 Q CA 1.261 57.034 55.803 -0.049 0.000 0.833 359 Q CB -0.086 28.639 28.738 -0.022 0.000 0.896 359 Q HN 0.255 nan 8.270 nan 0.000 0.434 360 M N 0.481 120.059 119.600 -0.038 0.000 2.088 360 M HA -0.236 4.244 4.480 0.000 0.000 0.256 360 M C 2.153 178.333 176.300 -0.200 0.000 1.071 360 M CA 1.344 56.606 55.300 -0.062 0.000 1.097 360 M CB -0.495 32.135 32.600 0.050 0.000 1.315 360 M HN 0.239 nan 8.290 nan 0.000 0.406 361 L N 0.030 121.070 121.223 -0.305 0.000 2.265 361 L HA -0.162 4.178 4.340 0.000 0.000 0.215 361 L C 1.933 178.576 176.870 -0.379 0.000 1.117 361 L CA 1.764 56.309 54.840 -0.493 0.000 0.782 361 L CB -0.982 40.767 42.059 -0.516 0.000 0.914 361 L HN 0.394 nan 8.230 nan 0.000 0.441 362 T N -0.011 114.403 114.554 -0.234 0.000 2.770 362 T HA -0.070 4.280 4.350 0.000 0.000 0.258 362 T C 1.670 176.368 174.700 -0.003 0.000 1.039 362 T CA 1.059 63.085 62.100 -0.123 0.000 1.143 362 T CB -0.066 68.760 68.868 -0.071 0.000 0.866 362 T HN 0.339 nan 8.240 nan 0.000 0.428 363 N N 1.358 120.044 118.700 -0.023 0.000 2.043 363 N HA -0.114 4.626 4.740 0.000 0.000 0.193 363 N C 2.002 177.528 175.510 0.027 0.000 1.037 363 N CA 1.171 54.223 53.050 0.004 0.000 0.851 363 N CB -0.416 38.062 38.487 -0.015 0.000 1.027 363 N HN 0.179 nan 8.380 nan 0.000 0.422 364 R N 0.670 121.173 120.500 0.005 0.000 2.094 364 R HA -0.072 4.268 4.340 0.000 0.000 0.239 364 R C 1.945 178.333 176.300 0.147 0.000 1.137 364 R CA 1.316 57.437 56.100 0.035 0.000 0.943 364 R CB -1.038 29.249 30.300 -0.022 0.000 0.850 364 R HN 0.116 nan 8.270 nan 0.000 0.433 365 F N 0.986 120.887 119.950 -0.081 0.000 2.250 365 F HA -0.141 4.386 4.527 0.000 0.000 0.301 365 F C 2.079 177.855 175.800 -0.040 0.000 1.077 365 F CA 1.213 59.188 58.000 -0.042 0.000 1.348 365 F CB -0.561 38.447 39.000 0.014 0.000 1.040 365 F HN 0.193 nan 8.300 nan 0.000 0.509 366 N N 0.004 118.796 118.700 0.153 0.000 2.331 366 N HA -0.118 4.622 4.740 0.000 0.000 0.180 366 N C 1.336 176.866 175.510 0.032 0.000 1.019 366 N CA 1.039 54.136 53.050 0.079 0.000 0.881 366 N CB -0.158 38.370 38.487 0.070 0.000 0.972 366 N HN 0.258 nan 8.380 nan 0.000 0.435 367 D N 0.724 121.133 120.400 0.016 0.000 2.144 367 D HA 0.017 4.657 4.640 0.000 0.000 0.207 367 D C 2.103 178.376 176.300 -0.046 0.000 0.970 367 D CA 0.293 54.288 54.000 -0.010 0.000 0.853 367 D CB -0.347 40.443 40.800 -0.017 0.000 1.007 367 D HN 0.160 nan 8.370 nan 0.000 0.469 368 L N 0.594 121.767 121.223 -0.083 0.000 2.263 368 L HA -0.143 4.197 4.340 0.000 0.000 0.216 368 L C 2.364 179.123 176.870 -0.185 0.000 1.111 368 L CA 0.517 55.266 54.840 -0.152 0.000 0.773 368 L CB -0.189 41.728 42.059 -0.237 0.000 0.906 368 L HN 0.055 nan 8.230 nan 0.000 0.439 369 L N -1.037 120.097 121.223 -0.149 0.000 2.162 369 L HA -0.121 4.219 4.340 0.000 0.000 0.205 369 L C 2.129 178.982 176.870 -0.027 0.000 1.086 369 L CA 0.655 55.393 54.840 -0.171 0.000 0.778 369 L CB -0.338 41.649 42.059 -0.119 0.000 0.928 369 L HN 0.239 nan 8.230 nan 0.000 0.446 370 D N 0.333 120.738 120.400 0.008 0.000 2.097 370 D HA -0.166 4.474 4.640 0.000 0.000 0.195 370 D C 2.192 178.517 176.300 0.042 0.000 0.989 370 D CA 1.122 55.154 54.000 0.054 0.000 0.827 370 D CB -0.096 40.730 40.800 0.044 0.000 0.966 370 D HN 0.194 nan 8.370 nan 0.000 0.456 371 R N -0.243 120.247 120.500 -0.016 0.000 2.241 371 R HA 0.016 4.356 4.340 0.000 0.000 0.224 371 R C 2.210 178.474 176.300 -0.060 0.000 1.101 371 R CA 0.693 56.766 56.100 -0.045 0.000 0.995 371 R CB -0.055 30.193 30.300 -0.087 0.000 0.870 371 R HN 0.258 nan 8.270 nan 0.000 0.463 372 M N -0.560 119.027 119.600 -0.021 0.000 2.435 372 M HA -0.037 4.443 4.480 0.000 0.000 0.265 372 M C 0.603 177.149 176.300 0.410 0.000 1.104 372 M CA 0.890 56.257 55.300 0.112 0.000 1.140 372 M CB 0.317 32.806 32.600 -0.186 0.000 1.372 372 M HN -0.135 nan 8.290 nan 0.000 0.456 373 D N 0.325 120.930 120.400 0.342 0.000 2.358 373 D HA 0.031 4.671 4.640 0.000 0.000 0.241 373 D C 1.145 177.577 176.300 0.219 0.000 1.094 373 D CA 0.696 54.910 54.000 0.356 0.000 0.907 373 D CB 0.381 41.342 40.800 0.268 0.000 0.893 373 D HN 0.240 nan 8.370 nan 0.000 0.528 374 I N -0.628 120.043 120.570 0.169 0.000 3.620 374 I HA -0.021 4.149 4.170 0.000 0.000 0.255 374 I C 2.128 178.275 176.117 0.049 0.000 1.124 374 I CA 0.305 61.674 61.300 0.114 0.000 1.526 374 I CB -1.252 36.806 38.000 0.098 0.000 1.681 374 I HN -0.009 nan 8.210 nan 0.000 0.420 375 M N -0.031 119.517 119.600 -0.087 0.000 2.521 375 M HA -0.094 4.386 4.480 0.000 0.000 0.260 375 M C 0.257 176.325 176.300 -0.387 0.000 1.068 375 M CA 2.058 57.185 55.300 -0.287 0.000 1.060 375 M CB -0.548 31.728 32.600 -0.540 0.000 1.398 375 M HN 0.066 nan 8.290 nan 0.000 0.473 376 F N 1.113 121.098 119.950 0.058 0.000 2.881 376 F HA 0.629 5.156 4.527 0.000 0.000 0.343 376 F C 0.901 176.753 175.800 0.086 0.000 1.233 376 F CA -0.790 57.266 58.000 0.093 0.000 1.262 376 F CB 0.295 39.407 39.000 0.187 0.000 0.980 376 F HN 0.129 nan 8.300 nan 0.000 0.506 377 G N -0.820 108.095 108.800 0.192 0.000 3.251 377 G HA2 0.330 4.290 3.960 0.000 0.000 0.248 377 G HA3 0.330 4.290 3.960 0.000 0.000 0.248 377 G C 0.667 175.620 174.900 0.087 0.000 1.320 377 G CA -0.253 44.922 45.100 0.126 0.000 0.982 377 G HN -0.030 nan 8.290 nan 0.000 0.575 378 S N -0.377 115.357 115.700 0.057 0.000 2.359 378 S HA -0.128 4.342 4.470 0.000 0.000 0.224 378 S C 2.128 176.749 174.600 0.035 0.000 1.035 378 S CA 1.975 60.196 58.200 0.035 0.000 1.018 378 S CB -0.354 62.855 63.200 0.014 0.000 0.876 378 S HN 0.955 nan 8.310 nan 0.000 0.448 379 T N 0.320 114.897 114.554 0.038 0.000 3.284 379 T HA 0.512 4.862 4.350 0.000 0.000 0.249 379 T C 0.374 175.115 174.700 0.068 0.000 0.944 379 T CA -0.286 61.837 62.100 0.040 0.000 0.919 379 T CB -0.019 68.858 68.868 0.016 0.000 1.089 379 T HN 0.221 nan 8.240 nan 0.000 0.576 380 G N -0.186 108.651 108.800 0.061 0.000 2.511 380 G HA2 0.524 4.484 3.960 0.000 0.000 0.316 380 G HA3 0.524 4.484 3.960 0.000 0.000 0.316 380 G C 0.222 175.149 174.900 0.045 0.000 1.210 380 G CA -0.749 44.377 45.100 0.044 0.000 0.969 380 G HN 0.314 nan 8.290 nan 0.000 0.492 381 S N -0.959 114.755 115.700 0.025 0.000 2.651 381 S HA 0.442 4.912 4.470 0.000 0.000 0.259 381 S C 0.810 175.461 174.600 0.084 0.000 1.073 381 S CA 0.359 58.592 58.200 0.054 0.000 1.090 381 S CB 0.736 63.968 63.200 0.054 0.000 1.042 381 S HN 0.971 nan 8.310 nan 0.000 0.581 382 A N 1.736 124.587 122.820 0.052 0.000 2.295 382 A HA 0.645 4.965 4.320 0.000 0.000 0.318 382 A C -0.920 176.833 177.584 0.282 0.000 1.134 382 A CA -0.317 51.829 52.037 0.183 0.000 0.827 382 A CB 0.521 19.576 19.000 0.093 0.000 1.136 382 A HN 0.109 nan 8.150 nan 0.000 0.493 383 D N 1.517 122.192 120.400 0.459 0.000 2.349 383 D HA 0.279 4.919 4.640 0.000 0.000 0.232 383 D C 0.823 177.532 176.300 0.681 0.000 1.071 383 D CA -0.486 53.790 54.000 0.460 0.000 0.832 383 D CB 0.848 41.828 40.800 0.299 0.000 1.086 383 D HN 0.275 nan 8.370 nan 0.000 0.504 384 I N 3.650 124.602 120.570 0.638 0.000 2.300 384 I HA -0.209 3.961 4.170 0.000 0.000 0.252 384 I C 1.812 178.214 176.117 0.474 0.000 1.119 384 I CA 1.588 63.145 61.300 0.428 0.000 1.384 384 I CB 0.004 38.113 38.000 0.181 0.000 1.062 384 I HN 0.622 nan 8.210 nan 0.000 0.426 385 E N -0.134 120.385 120.200 0.532 0.000 2.347 385 E HA -0.198 4.152 4.350 0.000 0.000 0.196 385 E C 1.845 178.710 176.600 0.441 0.000 1.008 385 E CA 0.810 57.578 56.400 0.613 0.000 0.852 385 E CB 0.054 29.940 29.700 0.311 0.000 0.783 385 E HN 0.644 nan 8.360 nan 0.000 0.505 386 E N -0.773 119.699 120.200 0.453 0.000 2.102 386 E HA -0.103 4.247 4.350 0.000 0.000 0.190 386 E C 1.547 178.384 176.600 0.395 0.000 0.971 386 E CA 0.532 57.232 56.400 0.500 0.000 0.821 386 E CB -0.084 29.909 29.700 0.488 0.000 0.777 386 E HN 0.352 nan 8.360 nan 0.000 0.460 387 W N 0.674 122.134 121.300 0.267 0.000 2.388 387 W HA -0.082 4.578 4.660 0.000 0.000 0.294 387 W C 2.241 178.786 176.519 0.044 0.000 1.212 387 W CA 0.490 57.933 57.345 0.164 0.000 1.271 387 W CB -0.268 29.355 29.460 0.271 0.000 1.126 387 W HN 0.098 nan 8.180 nan 0.000 0.535 388 M N 0.616 120.317 119.600 0.168 0.000 2.213 388 M HA -0.075 4.405 4.480 0.000 0.000 0.263 388 M C 2.136 178.435 176.300 -0.001 0.000 1.062 388 M CA 1.828 57.065 55.300 -0.105 0.000 1.105 388 M CB -0.973 31.290 32.600 -0.562 0.000 1.385 388 M HN -0.007 nan 8.290 nan 0.000 0.417 389 A N -0.806 122.081 122.820 0.112 0.000 1.972 389 A HA 0.009 4.329 4.320 0.000 0.000 0.219 389 A C 2.313 179.955 177.584 0.096 0.000 1.169 389 A CA 1.755 53.864 52.037 0.120 0.000 0.635 389 A CB -1.587 17.572 19.000 0.265 0.000 0.810 389 A HN 0.552 nan 8.150 nan 0.000 0.446 390 G N -0.368 108.468 108.800 0.060 0.000 2.433 390 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 390 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 390 G C 1.520 176.555 174.900 0.224 0.000 1.186 390 G CA 1.208 46.351 45.100 0.072 0.000 0.779 390 G HN 0.300 nan 8.290 nan 0.000 0.543 391 V N 1.845 121.883 119.914 0.206 0.000 2.278 391 V HA -0.273 3.847 4.120 0.000 0.000 0.251 391 V C 3.358 179.653 176.094 0.335 0.000 1.062 391 V CA 2.364 64.833 62.300 0.281 0.000 1.038 391 V CB -1.024 30.944 31.823 0.241 0.000 0.646 391 V HN 0.504 nan 8.190 nan 0.000 0.447 392 A N -1.454 121.472 122.820 0.176 0.000 1.902 392 A HA -0.279 4.041 4.320 0.000 0.000 0.217 392 A C 1.947 179.663 177.584 0.219 0.000 1.181 392 A CA 1.941 54.025 52.037 0.079 0.000 0.623 392 A CB -0.867 18.000 19.000 -0.222 0.000 0.818 392 A HN 0.750 nan 8.150 nan 0.000 0.443 393 W N 0.414 121.752 121.300 0.064 0.000 2.381 393 W HA -0.078 4.582 4.660 0.000 0.000 0.301 393 W C 1.684 178.261 176.519 0.095 0.000 1.205 393 W CA 1.652 59.033 57.345 0.061 0.000 1.285 393 W CB -0.175 29.280 29.460 -0.008 0.000 1.133 393 W HN 0.227 nan 8.180 nan 0.000 0.521 394 L N -0.581 120.871 121.223 0.383 0.000 2.275 394 L HA -0.176 4.164 4.340 0.000 0.000 0.215 394 L C 1.553 178.484 176.870 0.101 0.000 1.119 394 L CA 1.115 56.097 54.840 0.237 0.000 0.790 394 L CB -0.746 41.513 42.059 0.333 0.000 0.919 394 L HN 0.010 nan 8.230 nan 0.000 0.443 395 H N -2.044 117.085 119.070 0.099 0.000 2.555 395 H HA 0.087 4.643 4.556 0.000 0.000 0.283 395 H C 0.948 176.292 175.328 0.026 0.000 1.037 395 H CA 0.102 56.211 56.048 0.102 0.000 1.169 395 H CB 0.045 29.963 29.762 0.261 0.000 1.375 395 H HN 0.228 nan 8.280 nan 0.000 0.582 396 C N -0.393 118.873 119.300 -0.056 0.000 3.512 396 C HA 0.183 4.643 4.460 0.000 0.000 0.276 396 C C 1.671 176.532 174.990 -0.215 0.000 1.592 396 C CA -0.465 58.501 59.018 -0.086 0.000 1.803 396 C CB -0.632 27.070 27.740 -0.063 0.000 2.996 396 C HN 0.541 nan 8.230 nan 0.000 0.590 397 L N 0.143 121.200 121.223 -0.276 0.000 2.316 397 L HA 0.494 4.834 4.340 0.000 0.000 0.207 397 L C 0.184 176.973 176.870 -0.136 0.000 1.070 397 L CA 1.808 56.493 54.840 -0.259 0.000 0.820 397 L CB 0.128 42.038 42.059 -0.249 0.000 0.992 397 L HN 0.163 nan 8.230 nan 0.000 0.466 398 L N 0.450 121.584 121.223 -0.149 0.000 2.464 398 L HA 0.432 4.772 4.340 0.000 0.000 0.266 398 L C -2.364 174.390 176.870 -0.194 0.000 0.965 398 L CA -1.870 52.863 54.840 -0.178 0.000 0.833 398 L CB 1.880 43.828 42.059 -0.184 0.000 1.296 398 L HN -0.163 nan 8.230 nan 0.000 0.405 399 P HA 0.025 nan 4.420 nan 0.000 0.265 399 P C -0.601 176.603 177.300 -0.159 0.000 1.193 399 P CA 0.091 63.111 63.100 -0.133 0.000 0.765 399 P CB 0.273 31.916 31.700 -0.094 0.000 0.823 400 K N 0.981 121.273 120.400 -0.181 0.000 3.096 400 K HA -0.252 4.068 4.320 0.000 0.000 0.266 400 K C 0.877 177.341 176.600 -0.226 0.000 1.043 400 K CA 0.082 56.272 56.287 -0.162 0.000 0.758 400 K CB -1.373 31.094 32.500 -0.054 0.000 1.260 400 K HN 0.365 nan 8.250 nan 0.000 0.481 401 M N 2.146 121.461 119.600 -0.475 0.000 2.089 401 M HA -0.237 4.243 4.480 0.000 0.000 0.257 401 M C 1.920 178.160 176.300 -0.100 0.000 1.071 401 M CA 2.642 57.759 55.300 -0.304 0.000 1.096 401 M CB -0.262 32.091 32.600 -0.411 0.000 1.330 401 M HN 0.436 nan 8.290 nan 0.000 0.403 402 D N -1.526 118.810 120.400 -0.106 0.000 2.123 402 D HA -0.149 4.491 4.640 0.000 0.000 0.196 402 D C 1.615 177.972 176.300 0.094 0.000 0.992 402 D CA 2.044 56.065 54.000 0.035 0.000 0.833 402 D CB -0.759 39.959 40.800 -0.137 0.000 0.954 402 D HN 0.461 nan 8.370 nan 0.000 0.455 403 S N 0.263 115.998 115.700 0.058 0.000 2.368 403 S HA -0.061 4.409 4.470 0.000 0.000 0.224 403 S C 2.398 177.132 174.600 0.223 0.000 1.029 403 S CA 0.826 59.110 58.200 0.141 0.000 0.988 403 S CB -0.319 62.932 63.200 0.085 0.000 0.838 403 S HN 0.196 nan 8.310 nan 0.000 0.462 404 V N 1.702 121.716 119.914 0.167 0.000 2.469 404 V HA -0.121 3.999 4.120 0.000 0.000 0.251 404 V C 2.222 178.537 176.094 0.369 0.000 1.064 404 V CA 1.291 63.755 62.300 0.272 0.000 1.066 404 V CB -0.749 31.181 31.823 0.178 0.000 0.667 404 V HN 0.343 nan 8.190 nan 0.000 0.461 405 V N -1.386 118.691 119.914 0.272 0.000 2.667 405 V HA -0.201 3.919 4.120 0.000 0.000 0.252 405 V C 2.074 178.372 176.094 0.339 0.000 1.065 405 V CA 1.742 64.206 62.300 0.273 0.000 1.083 405 V CB -0.658 31.299 31.823 0.224 0.000 0.692 405 V HN 0.632 nan 8.190 nan 0.000 0.468 406 Y N 1.399 121.806 120.300 0.178 0.000 2.206 406 Y HA -0.115 4.435 4.550 0.000 0.000 0.292 406 Y C 2.295 178.285 175.900 0.151 0.000 1.123 406 Y CA 1.549 59.721 58.100 0.122 0.000 1.142 406 Y CB -0.321 38.184 38.460 0.076 0.000 1.006 406 Y HN 0.299 nan 8.280 nan 0.000 0.518 407 D N -0.213 120.348 120.400 0.268 0.000 2.158 407 D HA -0.239 4.401 4.640 0.000 0.000 0.197 407 D C 1.999 178.436 176.300 0.229 0.000 0.995 407 D CA 1.543 55.703 54.000 0.266 0.000 0.846 407 D CB -0.759 40.319 40.800 0.464 0.000 0.941 407 D HN 0.410 nan 8.370 nan 0.000 0.456 408 F N 1.056 120.993 119.950 -0.021 0.000 2.051 408 F HA -0.127 4.400 4.527 0.000 0.000 0.296 408 F C 2.136 177.732 175.800 -0.340 0.000 1.122 408 F CA 1.169 58.800 58.000 -0.616 0.000 1.201 408 F CB -0.483 38.071 39.000 -0.744 0.000 0.978 408 F HN -0.113 nan 8.300 nan 0.000 0.472 409 L N 0.397 121.517 121.223 -0.172 0.000 2.021 409 L HA -0.305 4.035 4.340 0.000 0.000 0.215 409 L C 2.693 179.327 176.870 -0.393 0.000 1.074 409 L CA 1.552 56.248 54.840 -0.241 0.000 0.760 409 L CB -0.779 41.222 42.059 -0.096 0.000 0.889 409 L HN 0.106 nan 8.230 nan 0.000 0.433 410 K N -0.564 119.581 120.400 -0.425 0.000 1.991 410 K HA -0.262 4.058 4.320 0.000 0.000 0.212 410 K C 2.241 178.708 176.600 -0.221 0.000 1.049 410 K CA 1.903 57.955 56.287 -0.392 0.000 0.932 410 K CB -1.074 31.271 32.500 -0.259 0.000 0.717 410 K HN 0.443 nan 8.250 nan 0.000 0.441 411 C N 1.664 120.881 119.300 -0.138 0.000 2.336 411 C HA -0.206 4.254 4.460 0.000 0.000 0.275 411 C C 2.801 177.640 174.990 -0.251 0.000 1.175 411 C CA 1.367 60.334 59.018 -0.085 0.000 1.771 411 C CB -0.853 26.853 27.740 -0.056 0.000 2.030 411 C HN 0.438 nan 8.230 nan 0.000 0.442 412 M N 0.446 119.719 119.600 -0.545 0.000 2.195 412 M HA -0.098 4.382 4.480 0.000 0.000 0.260 412 M C 2.035 178.078 176.300 -0.429 0.000 1.066 412 M CA 1.542 56.499 55.300 -0.572 0.000 1.089 412 M CB -1.568 30.617 32.600 -0.692 0.000 1.377 412 M HN 0.420 nan 8.290 nan 0.000 0.411 413 V N -1.465 118.272 119.914 -0.295 0.000 2.407 413 V HA -0.223 3.897 4.120 0.000 0.000 0.245 413 V C 2.132 178.097 176.094 -0.214 0.000 1.041 413 V CA 1.280 63.441 62.300 -0.230 0.000 1.040 413 V CB -0.891 30.758 31.823 -0.289 0.000 0.671 413 V HN 0.227 nan 8.190 nan 0.000 0.455 414 Y N 0.185 120.400 120.300 -0.142 0.000 2.333 414 Y HA -0.045 4.505 4.550 0.000 0.000 0.290 414 Y C 1.548 177.390 175.900 -0.097 0.000 1.144 414 Y CA 0.613 58.654 58.100 -0.099 0.000 1.228 414 Y CB -0.907 37.507 38.460 -0.077 0.000 0.985 414 Y HN 0.409 nan 8.280 nan 0.000 0.542 415 N N 0.711 119.415 118.700 0.006 0.000 2.686 415 N HA -0.238 4.502 4.740 0.000 0.000 0.261 415 N C -0.888 174.634 175.510 0.020 0.000 1.001 415 N CA -0.230 52.796 53.050 -0.041 0.000 0.764 415 N CB -1.028 37.401 38.487 -0.097 0.000 0.898 415 N HN 0.230 nan 8.380 nan 0.000 0.544 416 I N 1.343 121.942 120.570 0.048 0.000 2.428 416 I HA 0.249 4.419 4.170 0.000 0.000 0.289 416 I C -1.860 174.286 176.117 0.049 0.000 1.019 416 I CA -1.994 59.329 61.300 0.039 0.000 1.351 416 I CB 1.085 39.101 38.000 0.025 0.000 1.412 416 I HN 0.096 nan 8.210 nan 0.000 0.513 417 P HA 0.021 nan 4.420 nan 0.000 0.266 417 P C -0.351 176.977 177.300 0.047 0.000 1.195 417 P CA 0.036 63.161 63.100 0.041 0.000 0.768 417 P CB 0.298 32.009 31.700 0.019 0.000 0.838 418 K N 0.259 120.693 120.400 0.056 0.000 3.363 418 K HA -0.249 4.071 4.320 0.000 0.000 0.313 418 K C -0.119 176.529 176.600 0.081 0.000 1.259 418 K CA 1.333 57.648 56.287 0.047 0.000 0.942 418 K CB -1.443 31.064 32.500 0.013 0.000 1.229 418 K HN 0.524 nan 8.250 nan 0.000 0.440 419 K N 0.280 120.748 120.400 0.112 0.000 3.309 419 K HA 0.160 4.480 4.320 0.000 0.000 0.187 419 K C 0.128 176.844 176.600 0.193 0.000 1.085 419 K CA -0.303 56.069 56.287 0.141 0.000 0.867 419 K CB 0.636 33.189 32.500 0.089 0.000 0.846 419 K HN 0.291 nan 8.250 nan 0.000 0.522 420 R N -1.102 119.561 120.500 0.271 0.000 2.544 420 R HA 0.215 4.555 4.340 0.000 0.000 0.426 420 R C -0.846 175.644 176.300 0.315 0.000 0.943 420 R CA -0.475 55.773 56.100 0.247 0.000 1.162 420 R CB 0.167 30.559 30.300 0.153 0.000 1.588 420 R HN -0.032 nan 8.270 nan 0.000 0.563 421 Y N 0.156 120.689 120.300 0.389 0.000 2.425 421 Y HA 0.469 5.019 4.550 0.000 0.000 0.344 421 Y C -0.907 175.457 175.900 0.774 0.000 0.969 421 Y CA -0.977 57.439 58.100 0.527 0.000 1.052 421 Y CB 1.351 40.136 38.460 0.541 0.000 1.215 421 Y HN -0.013 nan 8.280 nan 0.000 0.451 422 W N 4.520 126.057 121.300 0.394 0.000 2.570 422 W HA 0.594 5.254 4.660 -0.000 0.000 0.337 422 W C -1.186 175.456 176.519 0.205 0.000 1.067 422 W CA -1.273 56.284 57.345 0.353 0.000 1.229 422 W CB 1.435 31.181 29.460 0.477 0.000 1.355 422 W HN 0.242 nan 8.180 nan 0.000 0.555 423 L N 4.424 125.793 121.223 0.243 0.000 2.324 423 L HA 0.516 4.856 4.340 0.000 0.000 0.274 423 L C -1.390 175.668 176.870 0.314 0.000 1.012 423 L CA -0.601 54.184 54.840 -0.090 0.000 0.859 423 L CB -0.321 41.292 42.059 -0.743 0.000 1.224 423 L HN 0.062 nan 8.230 nan 0.000 0.429 424 F N 4.035 124.057 119.950 0.119 0.000 2.427 424 F HA 0.535 5.062 4.527 -0.000 0.000 0.352 424 F C 0.487 176.404 175.800 0.196 0.000 1.100 424 F CA -0.437 57.743 58.000 0.300 0.000 1.191 424 F CB 0.829 40.025 39.000 0.327 0.000 1.128 424 F HN 0.430 nan 8.300 nan 0.000 0.533 425 K N 1.454 122.091 120.400 0.395 0.000 2.525 425 K HA 0.733 5.053 4.320 0.000 0.000 0.254 425 K C -0.664 176.083 176.600 0.245 0.000 0.934 425 K CA -0.574 55.858 56.287 0.242 0.000 0.802 425 K CB 2.190 34.769 32.500 0.133 0.000 1.295 425 K HN 0.858 nan 8.250 nan 0.000 0.433 426 G N 2.734 111.638 108.800 0.173 0.000 2.316 426 G HA2 0.231 4.191 3.960 0.000 0.000 0.296 426 G HA3 0.231 4.191 3.960 0.000 0.000 0.296 426 G C -3.248 171.695 174.900 0.073 0.000 1.399 426 G CA -0.941 44.239 45.100 0.132 0.000 0.833 426 G HN 0.379 nan 8.290 nan 0.000 0.565 427 P HA 0.350 nan 4.420 nan 0.000 0.300 427 P C 0.130 177.437 177.300 0.011 0.000 1.294 427 P CA -0.362 62.746 63.100 0.013 0.000 0.757 427 P CB 0.360 32.062 31.700 0.004 0.000 1.377 428 I N 0.013 120.583 120.570 -0.001 0.000 2.472 428 I HA 0.098 4.268 4.170 0.000 0.000 0.290 428 I C 0.532 176.642 176.117 -0.013 0.000 1.016 428 I CA 0.091 61.388 61.300 -0.005 0.000 1.348 428 I CB 0.052 38.049 38.000 -0.005 0.000 1.417 428 I HN 0.436 nan 8.210 nan 0.000 0.521 429 D N 2.721 123.109 120.400 -0.019 0.000 3.041 429 D HA -0.169 4.471 4.640 0.000 0.000 0.220 429 D C 1.383 177.674 176.300 -0.015 0.000 1.157 429 D CA 1.231 55.219 54.000 -0.019 0.000 0.876 429 D CB -0.646 40.140 40.800 -0.022 0.000 1.107 429 D HN 0.805 nan 8.370 nan 0.000 0.422 430 S N -1.075 114.611 115.700 -0.024 0.000 2.406 430 S HA 0.244 4.714 4.470 0.000 0.000 0.224 430 S C 1.823 176.398 174.600 -0.041 0.000 1.030 430 S CA 1.506 59.703 58.200 -0.004 0.000 0.958 430 S CB 0.962 64.186 63.200 0.041 0.000 0.811 430 S HN 0.741 nan 8.310 nan 0.000 0.489 431 G N 1.004 109.707 108.800 -0.161 0.000 2.425 431 G HA2 -0.163 3.797 3.960 0.000 0.000 0.177 431 G HA3 -0.163 3.797 3.960 0.000 0.000 0.177 431 G C 0.760 175.348 174.900 -0.520 0.000 0.999 431 G CA 0.118 45.100 45.100 -0.197 0.000 0.723 431 G HN 0.434 nan 8.290 nan 0.000 0.491 432 K N 0.523 120.472 120.400 -0.752 0.000 2.000 432 K HA -0.139 4.181 4.320 0.000 0.000 0.218 432 K C 2.526 179.001 176.600 -0.210 0.000 1.053 432 K CA 2.299 58.186 56.287 -0.667 0.000 0.946 432 K CB -0.737 31.595 32.500 -0.280 0.000 0.723 432 K HN 0.320 nan 8.250 nan 0.000 0.446 433 T N 1.066 115.537 114.554 -0.138 0.000 2.635 433 T HA -0.185 4.165 4.350 0.000 0.000 0.267 433 T C 2.073 176.736 174.700 -0.062 0.000 1.040 433 T CA 2.100 64.151 62.100 -0.082 0.000 1.156 433 T CB -0.805 68.027 68.868 -0.061 0.000 0.863 433 T HN 0.323 nan 8.240 nan 0.000 0.430 434 T N 2.763 117.289 114.554 -0.046 0.000 2.570 434 T HA -0.148 4.202 4.350 0.000 0.000 0.266 434 T C 1.902 176.623 174.700 0.035 0.000 1.071 434 T CA 1.509 63.610 62.100 0.001 0.000 1.172 434 T CB -0.744 68.163 68.868 0.066 0.000 0.864 434 T HN 0.160 nan 8.240 nan 0.000 0.421 435 L N 1.539 122.810 121.223 0.079 0.000 2.012 435 L HA -0.016 4.324 4.340 0.000 0.000 0.210 435 L C 2.617 179.542 176.870 0.093 0.000 1.073 435 L CA 2.106 57.044 54.840 0.162 0.000 0.748 435 L CB -1.295 40.959 42.059 0.326 0.000 0.891 435 L HN 0.270 nan 8.230 nan 0.000 0.431 436 A N -0.433 122.400 122.820 0.022 0.000 1.877 436 A HA -0.113 4.207 4.320 0.000 0.000 0.216 436 A C 2.487 179.977 177.584 -0.156 0.000 1.186 436 A CA 2.172 54.072 52.037 -0.227 0.000 0.620 436 A CB -1.331 17.470 19.000 -0.332 0.000 0.822 436 A HN 0.621 nan 8.150 nan 0.000 0.443 437 A N 0.009 122.776 122.820 -0.090 0.000 1.859 437 A HA 0.016 4.336 4.320 0.000 0.000 0.217 437 A C 2.580 180.134 177.584 -0.050 0.000 1.198 437 A CA 2.890 54.887 52.037 -0.066 0.000 0.629 437 A CB -1.351 17.620 19.000 -0.047 0.000 0.830 437 A HN 1.228 nan 8.150 nan 0.000 0.446 438 A N -0.358 122.448 122.820 -0.024 0.000 1.859 438 A HA -0.155 4.165 4.320 0.000 0.000 0.217 438 A C 2.209 179.773 177.584 -0.033 0.000 1.198 438 A CA 1.777 53.813 52.037 -0.001 0.000 0.629 438 A CB -0.899 18.125 19.000 0.041 0.000 0.830 438 A HN 0.523 nan 8.150 nan 0.000 0.446 439 L N -0.855 120.311 121.223 -0.095 0.000 2.081 439 L HA -0.232 4.108 4.340 0.000 0.000 0.212 439 L C 2.645 179.467 176.870 -0.080 0.000 1.080 439 L CA 1.470 56.202 54.840 -0.180 0.000 0.754 439 L CB -0.550 41.182 42.059 -0.545 0.000 0.893 439 L HN 0.496 nan 8.230 nan 0.000 0.433 440 L N -0.237 120.935 121.223 -0.085 0.000 2.079 440 L HA -0.271 4.069 4.340 0.000 0.000 0.210 440 L C 2.564 179.432 176.870 -0.003 0.000 1.081 440 L CA 1.582 56.403 54.840 -0.030 0.000 0.752 440 L CB -0.081 41.944 42.059 -0.058 0.000 0.896 440 L HN 0.351 nan 8.230 nan 0.000 0.433 441 E N -0.567 119.624 120.200 -0.015 0.000 2.112 441 E HA -0.237 4.113 4.350 0.000 0.000 0.190 441 E C 2.116 178.705 176.600 -0.018 0.000 0.979 441 E CA 0.735 57.126 56.400 -0.015 0.000 0.814 441 E CB 0.011 29.704 29.700 -0.012 0.000 0.762 441 E HN 0.366 nan 8.360 nan 0.000 0.460 442 L N 0.698 121.918 121.223 -0.005 0.000 1.970 442 L HA -0.231 4.109 4.340 0.000 0.000 0.212 442 L C 2.229 179.137 176.870 0.065 0.000 1.071 442 L CA 2.009 56.845 54.840 -0.005 0.000 0.751 442 L CB -0.771 41.319 42.059 0.052 0.000 0.889 442 L HN 0.336 nan 8.230 nan 0.000 0.432 443 C N 0.099 119.458 119.300 0.098 0.000 2.475 443 C HA 0.479 4.939 4.460 0.000 0.000 0.279 443 C C 1.298 176.221 174.990 -0.110 0.000 1.322 443 C CA 0.132 59.132 59.018 -0.030 0.000 1.734 443 C CB -1.808 26.030 27.740 0.163 0.000 2.005 443 C HN 0.890 nan 8.230 nan 0.000 0.495 444 G N -0.397 108.403 108.800 0.000 0.000 3.307 444 G HA2 0.455 4.415 3.960 0.000 0.000 0.686 444 G HA3 0.455 4.415 3.960 0.000 0.000 0.686 444 G C -0.206 174.721 174.900 0.045 0.000 0.983 444 G CA -0.217 44.878 45.100 -0.009 0.000 0.804 444 G HN 1.070 nan 8.290 nan 0.000 0.531 445 G N 1.486 110.300 108.800 0.023 0.000 2.696 445 G HA2 0.786 4.746 3.960 0.000 0.000 0.151 445 G HA3 0.786 4.746 3.960 0.000 0.000 0.151 445 G C -1.366 173.516 174.900 -0.031 0.000 1.197 445 G CA -0.007 45.103 45.100 0.015 0.000 1.053 445 G HN 0.831 nan 8.290 nan 0.000 0.546 446 K N -0.156 120.205 120.400 -0.065 0.000 2.523 446 K HA 0.733 5.053 4.320 0.000 0.000 0.257 446 K C -1.029 175.500 176.600 -0.119 0.000 0.932 446 K CA -0.471 55.768 56.287 -0.081 0.000 0.812 446 K CB 2.153 34.604 32.500 -0.082 0.000 1.326 446 K HN 0.888 nan 8.250 nan 0.000 0.433 447 A N 4.128 126.884 122.820 -0.106 0.000 2.260 447 A HA 0.675 4.995 4.320 0.000 0.000 0.308 447 A C -0.354 177.147 177.584 -0.139 0.000 1.254 447 A CA -0.593 51.364 52.037 -0.133 0.000 0.874 447 A CB 0.191 19.139 19.000 -0.087 0.000 1.153 447 A HN 0.545 nan 8.150 nan 0.000 0.527 448 L N 2.266 123.349 121.223 -0.234 0.000 2.330 448 L HA 0.507 4.847 4.340 0.000 0.000 0.271 448 L C 0.113 176.949 176.870 -0.057 0.000 1.013 448 L CA -0.945 53.796 54.840 -0.166 0.000 0.816 448 L CB 1.585 43.492 42.059 -0.255 0.000 1.287 448 L HN 0.738 nan 8.230 nan 0.000 0.435 449 N N 1.321 120.038 118.700 0.029 0.000 2.446 449 N HA 0.252 4.992 4.740 0.000 0.000 0.265 449 N C -0.186 175.393 175.510 0.115 0.000 0.975 449 N CA -0.259 52.836 53.050 0.075 0.000 0.928 449 N CB 2.192 40.702 38.487 0.039 0.000 1.160 449 N HN 0.502 nan 8.380 nan 0.000 0.495 450 V N 1.110 121.125 119.914 0.167 0.000 3.177 450 V HA 0.354 4.474 4.120 0.000 0.000 0.342 450 V C 0.773 176.892 176.094 0.043 0.000 1.379 450 V CA -0.353 62.020 62.300 0.122 0.000 1.191 450 V CB -0.214 31.705 31.823 0.160 0.000 1.167 450 V HN 0.469 nan 8.190 nan 0.000 0.471 451 N N 0.866 119.586 118.700 0.033 0.000 2.415 451 N HA 0.244 4.984 4.740 0.000 0.000 0.176 451 N C 0.824 176.331 175.510 -0.006 0.000 1.042 451 N CA 0.304 53.352 53.050 -0.003 0.000 0.902 451 N CB 0.410 38.894 38.487 -0.005 0.000 0.986 451 N HN 0.470 nan 8.380 nan 0.000 0.447 452 L N 1.331 122.558 121.223 0.007 0.000 2.456 452 L HA 0.139 4.479 4.340 0.000 0.000 0.246 452 L C -1.579 175.288 176.870 -0.004 0.000 1.238 452 L CA -1.292 53.550 54.840 0.002 0.000 0.826 452 L CB -0.447 41.616 42.059 0.008 0.000 1.150 452 L HN -0.124 nan 8.230 nan 0.000 0.514 453 P HA -0.017 nan 4.420 nan 0.000 0.273 453 P C 0.186 177.481 177.300 -0.008 0.000 1.258 453 P CA -0.223 62.871 63.100 -0.010 0.000 0.802 453 P CB 0.409 32.103 31.700 -0.010 0.000 1.040 454 L N -0.558 120.658 121.223 -0.011 0.000 2.416 454 L HA 0.057 4.397 4.340 0.000 0.000 0.216 454 L C 1.555 178.427 176.870 0.004 0.000 1.098 454 L CA 1.278 56.111 54.840 -0.011 0.000 0.840 454 L CB -1.072 40.974 42.059 -0.022 0.000 0.981 454 L HN 0.206 nan 8.230 nan 0.000 0.462 455 D N 0.537 120.940 120.400 0.005 0.000 2.087 455 D HA -0.163 4.477 4.640 0.000 0.000 0.192 455 D C 1.398 177.716 176.300 0.030 0.000 0.993 455 D CA 1.364 55.372 54.000 0.013 0.000 0.828 455 D CB -0.011 40.788 40.800 -0.002 0.000 0.968 455 D HN 0.017 nan 8.370 nan 0.000 0.448 456 R N 0.054 120.563 120.500 0.014 0.000 3.081 456 R HA 0.241 4.581 4.340 0.000 0.000 0.280 456 R C 0.781 177.130 176.300 0.082 0.000 1.372 456 R CA -0.067 56.048 56.100 0.025 0.000 1.242 456 R CB -0.197 30.073 30.300 -0.050 0.000 1.316 456 R HN 0.156 nan 8.270 nan 0.000 0.585 457 L N -0.785 120.484 121.223 0.076 0.000 2.416 457 L HA 0.221 4.561 4.340 0.000 0.000 0.216 457 L C 0.894 177.809 176.870 0.076 0.000 1.098 457 L CA 1.164 56.038 54.840 0.058 0.000 0.840 457 L CB 0.097 42.158 42.059 0.005 0.000 0.981 457 L HN 0.099 nan 8.230 nan 0.000 0.462 458 N N -1.670 117.100 118.700 0.117 0.000 2.434 458 N HA 0.029 4.769 4.740 0.000 0.000 0.196 458 N C 0.681 176.223 175.510 0.053 0.000 1.183 458 N CA 0.510 53.610 53.050 0.084 0.000 0.849 458 N CB 0.046 38.584 38.487 0.086 0.000 0.992 458 N HN 0.311 nan 8.380 nan 0.000 0.460 459 F N -0.779 119.169 119.950 -0.003 0.000 2.640 459 F HA 0.298 4.825 4.527 0.000 0.000 0.285 459 F C 2.083 177.890 175.800 0.012 0.000 1.031 459 F CA -0.090 57.904 58.000 -0.010 0.000 1.240 459 F CB 0.319 39.293 39.000 -0.044 0.000 1.011 459 F HN 0.004 nan 8.300 nan 0.000 0.656 460 E N 0.771 121.083 120.200 0.187 0.000 2.106 460 E HA -0.090 4.260 4.350 0.000 0.000 0.192 460 E C 2.187 178.855 176.600 0.114 0.000 0.984 460 E CA 1.000 57.473 56.400 0.122 0.000 0.806 460 E CB -0.263 29.497 29.700 0.101 0.000 0.750 460 E HN 0.365 nan 8.360 nan 0.000 0.458 461 L N -0.206 121.092 121.223 0.125 0.000 2.362 461 L HA -0.047 4.293 4.340 0.000 0.000 0.219 461 L C 2.289 179.286 176.870 0.210 0.000 1.134 461 L CA 0.739 55.703 54.840 0.206 0.000 0.807 461 L CB -0.380 41.761 42.059 0.137 0.000 0.927 461 L HN 0.121 nan 8.230 nan 0.000 0.447 462 G N -0.432 108.421 108.800 0.088 0.000 2.484 462 G HA2 -0.111 3.849 3.960 0.000 0.000 0.218 462 G HA3 -0.111 3.849 3.960 0.000 0.000 0.218 462 G C 1.324 176.246 174.900 0.037 0.000 1.130 462 G CA 0.264 45.383 45.100 0.031 0.000 0.784 462 G HN 0.250 nan 8.290 nan 0.000 0.543 463 V N 1.037 120.978 119.914 0.045 0.000 3.590 463 V HA 0.155 4.275 4.120 0.000 0.000 0.272 463 V C 2.479 178.566 176.094 -0.012 0.000 1.233 463 V CA 1.096 63.404 62.300 0.014 0.000 1.182 463 V CB -0.464 31.364 31.823 0.009 0.000 0.901 463 V HN 0.434 nan 8.190 nan 0.000 0.485 464 A N -0.513 122.311 122.820 0.008 0.000 2.169 464 A HA 0.273 4.593 4.320 0.000 0.000 0.210 464 A C 1.069 178.604 177.584 -0.082 0.000 1.168 464 A CA -0.098 51.885 52.037 -0.090 0.000 0.813 464 A CB 0.016 18.942 19.000 -0.123 0.000 0.861 464 A HN 0.360 nan 8.150 nan 0.000 0.481 465 I N 1.963 122.523 120.570 -0.016 0.000 2.989 465 I HA -0.105 4.065 4.170 0.000 0.000 0.311 465 I C -0.233 175.865 176.117 -0.032 0.000 1.221 465 I CA 0.930 62.221 61.300 -0.016 0.000 1.449 465 I CB -0.887 37.108 38.000 -0.008 0.000 1.325 465 I HN 0.342 nan 8.210 nan 0.000 0.557 466 D N 3.930 124.311 120.400 -0.032 0.000 2.701 466 D HA -0.183 4.457 4.640 0.000 0.000 0.235 466 D C 0.154 176.440 176.300 -0.023 0.000 1.155 466 D CA 0.869 54.855 54.000 -0.024 0.000 0.649 466 D CB -0.506 40.285 40.800 -0.015 0.000 1.050 466 D HN 0.488 nan 8.370 nan 0.000 0.425 467 Q N -1.021 118.749 119.800 -0.051 0.000 2.309 467 Q HA 0.351 4.691 4.340 0.000 0.000 0.264 467 Q C 0.839 176.832 176.000 -0.012 0.000 1.008 467 Q CA -0.721 55.061 55.803 -0.035 0.000 0.853 467 Q CB 1.375 30.059 28.738 -0.091 0.000 1.314 467 Q HN 0.136 nan 8.270 nan 0.000 0.448 468 F N 2.472 122.359 119.950 -0.104 0.000 2.039 468 F HA -0.094 4.433 4.527 -0.000 0.000 0.294 468 F C 0.572 176.291 175.800 -0.134 0.000 1.130 468 F CA 1.078 59.016 58.000 -0.105 0.000 1.189 468 F CB 0.343 39.295 39.000 -0.079 0.000 0.983 468 F HN 0.531 nan 8.300 nan 0.000 0.471 469 L N -1.409 119.845 121.223 0.052 0.000 2.341 469 L HA 0.788 5.128 4.340 0.000 0.000 0.254 469 L C -1.484 175.323 176.870 -0.105 0.000 1.040 469 L CA -1.015 53.755 54.840 -0.118 0.000 0.837 469 L CB 1.908 43.963 42.059 -0.007 0.000 1.425 469 L HN -0.249 nan 8.230 nan 0.000 0.414 470 V N 0.726 120.553 119.914 -0.145 0.000 3.007 470 V HA 0.791 4.911 4.120 0.000 0.000 0.311 470 V C -0.991 175.032 176.094 -0.119 0.000 1.120 470 V CA -0.548 61.653 62.300 -0.166 0.000 0.980 470 V CB 2.513 34.185 31.823 -0.251 0.000 1.033 470 V HN 0.704 nan 8.190 nan 0.000 0.429 471 V N 2.964 122.758 119.914 -0.200 0.000 2.709 471 V HA 0.517 4.637 4.120 0.000 0.000 0.308 471 V C -1.205 174.746 176.094 -0.238 0.000 1.062 471 V CA -0.514 61.713 62.300 -0.122 0.000 0.901 471 V CB 1.898 33.656 31.823 -0.108 0.000 1.003 471 V HN 0.691 nan 8.190 nan 0.000 0.425 472 F N 2.414 122.432 119.950 0.114 0.000 2.309 472 F HA 0.447 4.974 4.527 -0.000 0.000 0.366 472 F C 0.569 176.398 175.800 0.048 0.000 1.104 472 F CA -0.476 57.585 58.000 0.101 0.000 1.179 472 F CB 0.961 40.049 39.000 0.147 0.000 1.437 472 F HN 0.514 nan 8.300 nan 0.000 0.528 473 E N 2.971 123.233 120.200 0.103 0.000 2.344 473 E HA -0.013 4.337 4.350 0.000 0.000 0.270 473 E C 0.138 176.787 176.600 0.081 0.000 1.021 473 E CA 0.122 56.559 56.400 0.061 0.000 0.887 473 E CB 0.315 30.019 29.700 0.007 0.000 0.997 473 E HN 0.421 nan 8.360 nan 0.000 0.429 474 D N 3.169 123.614 120.400 0.074 0.000 2.980 474 D HA -0.154 4.486 4.640 0.000 0.000 0.218 474 D C -1.103 175.242 176.300 0.074 0.000 1.225 474 D CA 0.442 54.490 54.000 0.081 0.000 0.804 474 D CB -0.465 40.373 40.800 0.063 0.000 0.906 474 D HN 0.189 nan 8.370 nan 0.000 0.396 475 V N 2.946 122.906 119.914 0.076 0.000 2.530 475 V HA 0.145 4.265 4.120 0.000 0.000 0.282 475 V C 1.200 177.214 176.094 -0.134 0.000 1.048 475 V CA -0.135 62.172 62.300 0.012 0.000 0.997 475 V CB 1.328 33.169 31.823 0.031 0.000 0.987 475 V HN 0.147 nan 8.190 nan 0.000 0.477 476 K N 2.358 122.611 120.400 -0.246 0.000 2.154 476 K HA 0.654 4.974 4.320 0.000 0.000 0.264 476 K C 0.568 176.725 176.600 -0.739 0.000 1.008 476 K CA 0.278 56.198 56.287 -0.612 0.000 0.937 476 K CB 1.440 33.749 32.500 -0.319 0.000 1.002 476 K HN 0.924 nan 8.250 nan 0.000 0.469 477 G N -0.222 107.779 108.800 -1.332 0.000 3.137 477 G HA2 0.541 4.501 3.960 0.000 0.000 0.196 477 G HA3 0.541 4.501 3.960 0.000 0.000 0.196 477 G C -1.005 173.795 174.900 -0.166 0.000 1.135 477 G CA -0.378 44.385 45.100 -0.563 0.000 0.803 477 G HN 0.612 nan 8.290 nan 0.000 0.619 478 T N -4.734 109.896 114.554 0.128 0.000 2.787 478 T HA 0.628 4.978 4.350 0.000 0.000 0.297 478 T C 0.952 175.773 174.700 0.202 0.000 1.221 478 T CA 0.460 62.665 62.100 0.174 0.000 1.006 478 T CB 1.419 70.329 68.868 0.070 0.000 1.328 478 T HN 2.396 nan 8.240 nan 0.000 0.509 479 G N 0.424 109.301 108.800 0.128 0.000 2.640 479 G HA2 -0.212 3.748 3.960 0.000 0.000 0.226 479 G HA3 -0.212 3.748 3.960 0.000 0.000 0.226 479 G C 1.185 176.118 174.900 0.056 0.000 1.222 479 G CA 0.317 45.467 45.100 0.083 0.000 0.729 479 G HN 1.817 nan 8.290 nan 0.000 0.516 480 G N 0.643 109.475 108.800 0.054 0.000 3.229 480 G HA2 0.344 4.304 3.960 0.000 0.000 0.214 480 G HA3 0.344 4.304 3.960 0.000 0.000 0.214 480 G C 0.981 175.840 174.900 -0.069 0.000 1.256 480 G CA 1.120 46.172 45.100 -0.080 0.000 1.042 480 G HN 0.664 nan 8.290 nan 0.000 0.497 481 E N 0.005 120.205 120.200 0.001 0.000 2.418 481 E HA -0.034 4.316 4.350 0.000 0.000 0.197 481 E C 2.041 178.635 176.600 -0.010 0.000 1.026 481 E CA 0.434 56.838 56.400 0.007 0.000 0.862 481 E CB 0.190 29.908 29.700 0.029 0.000 0.799 481 E HN 0.335 nan 8.360 nan 0.000 0.518 482 S N 0.305 115.995 115.700 -0.017 0.000 2.603 482 S HA 0.110 4.580 4.470 0.000 0.000 0.220 482 S C 1.180 175.762 174.600 -0.029 0.000 0.967 482 S CA 0.220 58.410 58.200 -0.017 0.000 0.920 482 S CB 0.189 63.382 63.200 -0.013 0.000 0.773 482 S HN 0.147 nan 8.310 nan 0.000 0.529 483 R N 1.150 121.621 120.500 -0.049 0.000 2.596 483 R HA 0.141 4.481 4.340 0.000 0.000 0.369 483 R C -1.032 175.230 176.300 -0.063 0.000 1.042 483 R CA -0.070 55.993 56.100 -0.062 0.000 1.120 483 R CB 0.362 30.607 30.300 -0.092 0.000 1.353 483 R HN 0.108 nan 8.270 nan 0.000 0.564 484 D N 1.190 121.565 120.400 -0.043 0.000 2.760 484 D HA -0.178 4.462 4.640 0.000 0.000 0.244 484 D C -0.831 175.446 176.300 -0.038 0.000 1.123 484 D CA 0.983 54.965 54.000 -0.029 0.000 0.719 484 D CB -1.018 39.768 40.800 -0.022 0.000 1.045 484 D HN 0.286 nan 8.370 nan 0.000 0.426 485 L N 0.080 121.276 121.223 -0.045 0.000 2.406 485 L HA 0.379 4.719 4.340 0.000 0.000 0.272 485 L C -2.256 174.671 176.870 0.097 0.000 0.980 485 L CA -1.756 53.059 54.840 -0.042 0.000 0.831 485 L CB 2.267 44.135 42.059 -0.319 0.000 1.253 485 L HN -0.307 nan 8.230 nan 0.000 0.406 486 P HA 0.043 nan 4.420 nan 0.000 0.268 486 P C -0.567 176.874 177.300 0.235 0.000 1.204 486 P CA -0.089 63.102 63.100 0.152 0.000 0.768 486 P CB 0.760 32.526 31.700 0.110 0.000 0.842 487 S N 1.718 117.508 115.700 0.150 0.000 2.585 487 S HA 0.813 5.283 4.470 0.000 0.000 0.277 487 S C 0.174 174.779 174.600 0.009 0.000 1.241 487 S CA -0.380 57.885 58.200 0.109 0.000 1.041 487 S CB 1.370 64.626 63.200 0.093 0.000 0.987 487 S HN 0.571 nan 8.310 nan 0.000 0.512 488 G N 0.576 109.333 108.800 -0.073 0.000 2.708 488 G HA2 0.455 4.415 3.960 0.000 0.000 0.289 488 G HA3 0.455 4.415 3.960 0.000 0.000 0.289 488 G C -0.510 174.334 174.900 -0.094 0.000 1.416 488 G CA -0.653 44.401 45.100 -0.077 0.000 0.829 488 G HN 0.513 nan 8.290 nan 0.000 0.480 489 Q N 0.173 119.931 119.800 -0.071 0.000 2.282 489 Q HA 0.134 4.474 4.340 0.000 0.000 0.205 489 Q C 1.951 177.901 176.000 -0.084 0.000 0.915 489 Q CA 0.519 56.280 55.803 -0.069 0.000 0.949 489 Q CB 0.554 29.262 28.738 -0.049 0.000 1.035 489 Q HN 0.685 nan 8.270 nan 0.000 0.484 490 G N 1.238 109.974 108.800 -0.106 0.000 2.484 490 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 490 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 490 G C 1.457 176.288 174.900 -0.115 0.000 1.219 490 G CA 0.317 45.356 45.100 -0.100 0.000 0.791 490 G HN 0.355 nan 8.290 nan 0.000 0.550 491 I N 1.199 121.688 120.570 -0.135 0.000 2.286 491 I HA -0.159 4.011 4.170 0.000 0.000 0.248 491 I C 2.111 178.169 176.117 -0.098 0.000 1.115 491 I CA 0.787 62.026 61.300 -0.101 0.000 1.392 491 I CB -0.215 37.739 38.000 -0.078 0.000 1.065 491 I HN 0.129 nan 8.210 nan 0.000 0.418 492 N N 1.026 119.671 118.700 -0.092 0.000 2.573 492 N HA -0.129 4.611 4.740 0.000 0.000 0.187 492 N C 1.284 176.735 175.510 -0.097 0.000 1.107 492 N CA 0.774 53.775 53.050 -0.081 0.000 0.918 492 N CB -0.285 38.164 38.487 -0.063 0.000 0.966 492 N HN 0.445 nan 8.380 nan 0.000 0.448 493 N N 0.768 119.398 118.700 -0.117 0.000 2.349 493 N HA 0.141 4.881 4.740 0.000 0.000 0.180 493 N C 1.928 177.318 175.510 -0.200 0.000 1.024 493 N CA 0.137 53.105 53.050 -0.137 0.000 0.869 493 N CB -0.093 38.323 38.487 -0.118 0.000 1.022 493 N HN 0.134 nan 8.380 nan 0.000 0.433 494 L N 1.253 122.330 121.223 -0.243 0.000 2.042 494 L HA -0.183 4.157 4.340 0.000 0.000 0.210 494 L C 1.924 178.626 176.870 -0.280 0.000 1.076 494 L CA 1.285 55.917 54.840 -0.346 0.000 0.749 494 L CB -0.477 41.346 42.059 -0.393 0.000 0.893 494 L HN 0.242 nan 8.230 nan 0.000 0.432 495 D N 0.143 120.420 120.400 -0.204 0.000 2.354 495 D HA -0.193 4.447 4.640 0.000 0.000 0.216 495 D C 1.355 177.566 176.300 -0.148 0.000 0.970 495 D CA 1.054 54.954 54.000 -0.167 0.000 0.905 495 D CB 0.081 40.809 40.800 -0.119 0.000 0.903 495 D HN 0.376 nan 8.370 nan 0.000 0.508 496 N N -0.816 117.787 118.700 -0.160 0.000 2.388 496 N HA 0.124 4.864 4.740 0.000 0.000 0.176 496 N C 0.739 176.160 175.510 -0.150 0.000 1.062 496 N CA 0.106 53.076 53.050 -0.134 0.000 0.895 496 N CB 0.364 38.776 38.487 -0.125 0.000 1.018 496 N HN 0.149 nan 8.380 nan 0.000 0.456 497 L N 0.636 121.719 121.223 -0.234 0.000 2.851 497 L HA 0.274 4.614 4.340 0.000 0.000 0.237 497 L C 1.361 178.161 176.870 -0.116 0.000 1.257 497 L CA -0.113 54.569 54.840 -0.262 0.000 1.061 497 L CB 0.000 41.691 42.059 -0.613 0.000 1.372 497 L HN 0.075 nan 8.230 nan 0.000 0.493 498 R N 0.949 121.385 120.500 -0.106 0.000 2.115 498 R HA -0.217 4.123 4.340 0.000 0.000 0.239 498 R C 1.738 178.005 176.300 -0.056 0.000 1.133 498 R CA 2.222 58.257 56.100 -0.109 0.000 0.935 498 R CB -0.511 29.733 30.300 -0.094 0.000 0.853 498 R HN 0.568 nan 8.270 nan 0.000 0.433 499 D N -0.176 120.220 120.400 -0.006 0.000 2.228 499 D HA -0.221 4.419 4.640 0.000 0.000 0.203 499 D C 1.690 177.962 176.300 -0.045 0.000 0.988 499 D CA 1.468 55.450 54.000 -0.031 0.000 0.864 499 D CB -0.505 40.263 40.800 -0.053 0.000 0.928 499 D HN 0.321 nan 8.370 nan 0.000 0.469 500 Y N 1.125 121.312 120.300 -0.189 0.000 2.114 500 Y HA 0.009 4.559 4.550 0.000 0.000 0.284 500 Y C 2.809 178.625 175.900 -0.139 0.000 1.119 500 Y CA 0.594 58.539 58.100 -0.259 0.000 1.108 500 Y CB -0.749 37.335 38.460 -0.626 0.000 0.995 500 Y HN -0.133 nan 8.280 nan 0.000 0.491 501 L N -0.325 120.852 121.223 -0.076 0.000 2.081 501 L HA -0.274 4.066 4.340 0.000 0.000 0.212 501 L C 1.931 178.773 176.870 -0.045 0.000 1.080 501 L CA 1.278 55.986 54.840 -0.220 0.000 0.754 501 L CB -0.542 41.239 42.059 -0.463 0.000 0.893 501 L HN 0.312 nan 8.230 nan 0.000 0.433 502 D N -0.063 120.319 120.400 -0.030 0.000 2.096 502 D HA -0.120 4.520 4.640 0.000 0.000 0.200 502 D C 1.677 178.018 176.300 0.068 0.000 0.980 502 D CA 2.019 56.023 54.000 0.007 0.000 0.860 502 D CB -0.162 40.626 40.800 -0.021 0.000 1.005 502 D HN 0.376 nan 8.370 nan 0.000 0.449 503 G N -0.995 107.837 108.800 0.053 0.000 2.183 503 G HA2 -0.201 3.759 3.960 0.000 0.000 0.168 503 G HA3 -0.201 3.759 3.960 0.000 0.000 0.168 503 G C 1.129 176.044 174.900 0.025 0.000 1.008 503 G CA 0.692 45.832 45.100 0.068 0.000 0.677 503 G HN 0.304 nan 8.290 nan 0.000 0.498 504 S N -0.901 114.801 115.700 0.003 0.000 2.356 504 S HA 0.312 4.782 4.470 0.000 0.000 0.219 504 S C 1.287 175.875 174.600 -0.021 0.000 1.036 504 S CA 1.125 59.319 58.200 -0.008 0.000 0.965 504 S CB 0.028 63.220 63.200 -0.013 0.000 0.864 504 S HN 1.391 nan 8.310 nan 0.000 0.471 505 V N 0.643 120.535 119.914 -0.037 0.000 2.713 505 V HA 0.521 4.641 4.120 0.000 0.000 0.307 505 V C -0.523 175.528 176.094 -0.072 0.000 1.052 505 V CA -1.252 61.017 62.300 -0.052 0.000 0.967 505 V CB 1.055 32.842 31.823 -0.061 0.000 1.019 505 V HN 0.058 nan 8.190 nan 0.000 0.459 506 K N 2.296 122.654 120.400 -0.070 0.000 2.297 506 K HA 0.530 4.850 4.320 0.000 0.000 0.286 506 K C -0.098 176.418 176.600 -0.141 0.000 1.053 506 K CA -0.389 55.849 56.287 -0.083 0.000 0.940 506 K CB 1.531 33.999 32.500 -0.053 0.000 1.019 506 K HN 0.821 nan 8.250 nan 0.000 0.475 507 V N 0.164 119.941 119.914 -0.228 0.000 3.262 507 V HA 0.350 4.470 4.120 0.000 0.000 0.313 507 V C -0.244 175.737 176.094 -0.188 0.000 1.070 507 V CA -0.986 61.096 62.300 -0.362 0.000 1.049 507 V CB 1.294 32.534 31.823 -0.972 0.000 1.157 507 V HN 0.622 nan 8.190 nan 0.000 0.454 508 N N 2.285 120.903 118.700 -0.137 0.000 2.501 508 N HA 0.486 5.226 4.740 0.000 0.000 0.245 508 N C -0.950 174.578 175.510 0.029 0.000 0.974 508 N CA -0.172 52.857 53.050 -0.035 0.000 0.941 508 N CB 1.526 40.001 38.487 -0.020 0.000 1.122 508 N HN 0.637 nan 8.380 nan 0.000 0.507 509 L N 1.001 122.252 121.223 0.047 0.000 2.289 509 L HA 0.372 4.712 4.340 0.000 0.000 0.285 509 L C 0.832 177.699 176.870 -0.006 0.000 1.049 509 L CA -0.551 54.341 54.840 0.086 0.000 0.804 509 L CB 1.246 43.386 42.059 0.134 0.000 1.195 509 L HN 0.402 nan 8.230 nan 0.000 0.428 510 E N 3.747 123.902 120.200 -0.075 0.000 2.248 510 E HA 0.358 4.708 4.350 0.000 0.000 0.272 510 E C -0.922 175.494 176.600 -0.307 0.000 1.008 510 E CA -0.752 55.525 56.400 -0.205 0.000 0.856 510 E CB 1.440 30.956 29.700 -0.307 0.000 1.120 510 E HN 0.418 nan 8.360 nan 0.000 0.397 511 K N 3.613 123.838 120.400 -0.292 0.000 2.695 511 K HA 0.123 4.443 4.320 0.000 0.000 0.255 511 K C -1.452 175.057 176.600 -0.152 0.000 1.016 511 K CA -0.501 55.644 56.287 -0.236 0.000 0.928 511 K CB 0.679 33.122 32.500 -0.095 0.000 1.235 511 K HN 0.599 nan 8.250 nan 0.000 0.467 512 K N 4.330 124.661 120.400 -0.115 0.000 3.353 512 K HA -0.168 4.152 4.320 0.000 0.000 0.272 512 K C -0.987 175.735 176.600 0.202 0.000 1.071 512 K CA 0.975 57.346 56.287 0.139 0.000 0.789 512 K CB -1.280 31.291 32.500 0.118 0.000 1.325 512 K HN 1.026 nan 8.250 nan 0.000 0.464 513 H N -2.983 116.220 119.070 0.221 0.000 2.826 513 H HA -0.210 4.346 4.556 0.000 0.000 0.306 513 H C -0.555 174.806 175.328 0.054 0.000 1.235 513 H CA 1.508 57.675 56.048 0.199 0.000 1.150 513 H CB -1.126 28.745 29.762 0.181 0.000 1.409 513 H HN 0.453 nan 8.280 nan 0.000 0.420 514 L N 0.167 121.412 121.223 0.037 0.000 2.765 514 L HA 0.266 4.606 4.340 0.000 0.000 0.254 514 L C -0.922 175.919 176.870 -0.048 0.000 0.939 514 L CA -0.494 54.355 54.840 0.016 0.000 0.949 514 L CB 1.170 43.251 42.059 0.037 0.000 1.521 514 L HN 0.016 nan 8.230 nan 0.000 0.434 515 N N 3.899 122.581 118.700 -0.029 0.000 3.254 515 N HA 0.100 4.840 4.740 0.000 0.000 0.308 515 N C 0.419 175.914 175.510 -0.024 0.000 1.281 515 N CA -0.172 52.857 53.050 -0.036 0.000 1.212 515 N CB 0.472 38.949 38.487 -0.017 0.000 1.478 515 N HN 0.522 nan 8.380 nan 0.000 0.548 516 K N 0.292 120.674 120.400 -0.030 0.000 2.362 516 K HA -0.120 4.200 4.320 0.000 0.000 0.202 516 K C 0.737 177.330 176.600 -0.013 0.000 1.045 516 K CA 0.979 57.256 56.287 -0.017 0.000 0.936 516 K CB 0.251 32.739 32.500 -0.020 0.000 0.747 516 K HN 0.382 nan 8.250 nan 0.000 0.467 517 R N -0.815 119.676 120.500 -0.015 0.000 2.594 517 R HA 0.149 4.489 4.340 0.000 0.000 0.265 517 R C -1.555 174.740 176.300 -0.007 0.000 1.070 517 R CA -0.162 55.933 56.100 -0.009 0.000 0.909 517 R CB 1.842 32.138 30.300 -0.006 0.000 1.243 517 R HN -0.236 nan 8.270 nan 0.000 0.455 518 T N 4.044 118.592 114.554 -0.011 0.000 2.912 518 T HA 0.316 4.666 4.350 0.000 0.000 0.326 518 T C -0.938 173.751 174.700 -0.019 0.000 1.080 518 T CA -0.577 61.511 62.100 -0.020 0.000 1.000 518 T CB 1.028 69.882 68.868 -0.024 0.000 1.008 518 T HN 0.595 nan 8.240 nan 0.000 0.473 519 Q N 2.200 121.990 119.800 -0.016 0.000 2.991 519 Q HA 0.737 5.077 4.340 0.000 0.000 0.322 519 Q C -1.399 174.595 176.000 -0.009 0.000 0.978 519 Q CA -1.191 54.605 55.803 -0.012 0.000 0.787 519 Q CB 0.947 29.683 28.738 -0.005 0.000 1.492 519 Q HN 0.349 nan 8.270 nan 0.000 0.498 520 I N 1.279 121.850 120.570 0.001 0.000 2.315 520 I HA 0.281 4.451 4.170 0.000 0.000 0.291 520 I C -0.417 175.749 176.117 0.081 0.000 1.006 520 I CA -0.330 60.984 61.300 0.024 0.000 1.265 520 I CB 0.422 38.425 38.000 0.005 0.000 1.387 520 I HN 0.462 nan 8.210 nan 0.000 0.475 521 F N 8.923 128.859 119.950 -0.023 0.000 2.572 521 F HA 0.246 4.773 4.527 0.000 0.000 0.370 521 F C -1.702 174.152 175.800 0.090 0.000 1.103 521 F CA -1.429 56.614 58.000 0.071 0.000 1.286 521 F CB 0.210 39.311 39.000 0.168 0.000 1.105 521 F HN 0.373 nan 8.300 nan 0.000 0.583 522 P HA 0.176 nan 4.420 nan 0.000 0.274 522 P C -2.822 174.441 177.300 -0.062 0.000 1.237 522 P CA -1.303 61.640 63.100 -0.260 0.000 0.793 522 P CB 0.551 32.024 31.700 -0.378 0.000 0.977 523 P HA 0.369 nan 4.420 nan 0.000 0.277 523 P C 0.060 176.988 177.300 -0.621 0.000 1.271 523 P CA 0.210 63.119 63.100 -0.320 0.000 0.795 523 P CB 0.828 32.323 31.700 -0.341 0.000 1.101 524 G N -0.917 107.163 108.800 -1.200 0.000 2.364 524 G HA2 0.419 4.379 3.960 0.000 0.000 0.286 524 G HA3 0.419 4.379 3.960 0.000 0.000 0.286 524 G C -1.668 173.034 174.900 -0.330 0.000 1.241 524 G CA -0.513 44.238 45.100 -0.582 0.000 0.887 524 G HN 0.374 nan 8.290 nan 0.000 0.484 525 I N -0.058 120.505 120.570 -0.012 0.000 2.863 525 I HA 0.764 4.934 4.170 0.000 0.000 0.311 525 I C -0.317 175.947 176.117 0.244 0.000 1.026 525 I CA -1.144 60.179 61.300 0.037 0.000 1.077 525 I CB 1.556 39.342 38.000 -0.356 0.000 1.262 525 I HN 0.281 nan 8.210 nan 0.000 0.461 526 V N 2.021 122.040 119.914 0.174 0.000 2.559 526 V HA 0.256 4.376 4.120 0.000 0.000 0.289 526 V C -0.142 176.009 176.094 0.095 0.000 1.036 526 V CA -0.651 61.788 62.300 0.232 0.000 0.887 526 V CB 1.923 33.913 31.823 0.279 0.000 1.022 526 V HN 0.944 nan 8.190 nan 0.000 0.442 527 T N 3.336 117.944 114.554 0.091 0.000 2.907 527 T HA 0.931 5.281 4.350 0.000 0.000 0.284 527 T C -0.450 174.325 174.700 0.125 0.000 1.004 527 T CA -0.584 61.583 62.100 0.112 0.000 1.063 527 T CB 1.804 70.699 68.868 0.046 0.000 0.992 527 T HN 0.929 nan 8.240 nan 0.000 0.483 528 M N 0.480 120.169 119.600 0.148 0.000 2.790 528 M HA 0.545 5.025 4.480 0.000 0.000 0.272 528 M C -1.810 174.610 176.300 0.199 0.000 1.168 528 M CA -1.033 54.372 55.300 0.175 0.000 0.829 528 M CB 1.183 33.889 32.600 0.178 0.000 1.675 528 M HN 0.445 nan 8.290 nan 0.000 0.505 529 N N 0.092 118.955 118.700 0.273 0.000 2.405 529 N HA 0.257 4.997 4.740 0.000 0.000 0.269 529 N C -0.990 174.582 175.510 0.103 0.000 1.249 529 N CA -0.689 52.446 53.050 0.143 0.000 0.974 529 N CB 0.492 39.005 38.487 0.042 0.000 1.204 529 N HN 0.697 nan 8.380 nan 0.000 0.565 530 E N 0.338 120.506 120.200 -0.054 0.000 2.574 530 E HA -0.044 4.306 4.350 0.000 0.000 0.306 530 E C -0.837 175.686 176.600 -0.128 0.000 1.166 530 E CA 0.342 56.709 56.400 -0.055 0.000 1.263 530 E CB -0.379 29.281 29.700 -0.067 0.000 1.078 530 E HN 0.366 nan 8.360 nan 0.000 0.481 531 Y N -0.180 120.143 120.300 0.038 0.000 2.432 531 Y HA 0.156 4.706 4.550 -0.000 0.000 0.322 531 Y C 0.921 176.844 175.900 0.038 0.000 1.246 531 Y CA -0.742 57.379 58.100 0.035 0.000 1.268 531 Y CB 1.403 39.886 38.460 0.037 0.000 1.276 531 Y HN 0.029 nan 8.280 nan 0.000 0.499 532 S N 1.064 116.896 115.700 0.220 0.000 2.523 532 S HA 0.402 4.872 4.470 0.000 0.000 0.275 532 S C -1.058 173.618 174.600 0.128 0.000 1.281 532 S CA -0.556 57.723 58.200 0.131 0.000 1.050 532 S CB 0.274 63.531 63.200 0.096 0.000 0.937 532 S HN 0.492 nan 8.310 nan 0.000 0.492 533 V N 7.258 127.239 119.914 0.112 0.000 2.540 533 V HA 0.604 4.724 4.120 0.000 0.000 0.302 533 V C -2.355 173.781 176.094 0.070 0.000 1.035 533 V CA -2.073 60.292 62.300 0.109 0.000 0.873 533 V CB 1.601 33.528 31.823 0.173 0.000 0.992 533 V HN 0.860 nan 8.190 nan 0.000 0.428 534 P HA 0.269 nan 4.420 nan 0.000 0.270 534 P C 0.236 177.534 177.300 -0.003 0.000 1.223 534 P CA -0.345 62.759 63.100 0.006 0.000 0.785 534 P CB 0.463 32.151 31.700 -0.021 0.000 0.923 535 K N -0.306 120.087 120.400 -0.011 0.000 2.103 535 K HA -0.131 4.189 4.320 0.000 0.000 0.204 535 K C 1.621 178.189 176.600 -0.052 0.000 1.052 535 K CA 1.776 58.052 56.287 -0.017 0.000 0.945 535 K CB -1.270 31.223 32.500 -0.013 0.000 0.722 535 K HN 0.485 nan 8.250 nan 0.000 0.443 536 T N -0.092 114.424 114.554 -0.063 0.000 2.849 536 T HA -0.138 4.212 4.350 0.000 0.000 0.270 536 T C 1.784 176.395 174.700 -0.148 0.000 1.066 536 T CA 1.137 63.184 62.100 -0.089 0.000 1.130 536 T CB -0.184 68.636 68.868 -0.079 0.000 0.864 536 T HN 0.246 nan 8.240 nan 0.000 0.481 537 L N 0.682 121.806 121.223 -0.165 0.000 2.145 537 L HA 0.345 4.685 4.340 0.000 0.000 0.201 537 L C 2.584 179.180 176.870 -0.457 0.000 1.075 537 L CA 1.641 56.305 54.840 -0.294 0.000 0.773 537 L CB -1.127 40.812 42.059 -0.199 0.000 0.936 537 L HN 0.249 nan 8.230 nan 0.000 0.451 538 Q N 0.298 119.986 119.800 -0.188 0.000 2.368 538 Q HA -0.098 4.242 4.340 0.000 0.000 0.210 538 Q C 1.859 177.803 176.000 -0.094 0.000 0.982 538 Q CA 1.586 57.376 55.803 -0.023 0.000 0.884 538 Q CB -0.335 28.465 28.738 0.104 0.000 0.933 538 Q HN 0.615 nan 8.270 nan 0.000 0.460 539 A N -0.258 122.466 122.820 -0.161 0.000 2.119 539 A HA -0.029 4.291 4.320 0.000 0.000 0.216 539 A C 1.381 178.881 177.584 -0.141 0.000 1.152 539 A CA 0.585 52.559 52.037 -0.105 0.000 0.708 539 A CB -0.057 18.889 19.000 -0.091 0.000 0.805 539 A HN 0.195 nan 8.150 nan 0.000 0.460 540 R N -0.922 119.373 120.500 -0.341 0.000 2.334 540 R HA 0.224 4.564 4.340 0.000 0.000 0.220 540 R C -0.910 175.303 176.300 -0.145 0.000 0.917 540 R CA -0.014 55.901 56.100 -0.308 0.000 1.073 540 R CB -0.586 29.428 30.300 -0.476 0.000 1.056 540 R HN 0.561 nan 8.270 nan 0.000 0.506 541 F N 0.272 120.292 119.950 0.116 0.000 2.310 541 F HA 0.154 4.681 4.527 -0.000 0.000 0.365 541 F C 1.509 177.382 175.800 0.121 0.000 1.080 541 F CA -0.657 57.449 58.000 0.176 0.000 1.187 541 F CB 1.542 40.630 39.000 0.148 0.000 1.465 541 F HN -0.259 nan 8.300 nan 0.000 0.496 542 V N 3.025 123.138 119.914 0.332 0.000 3.186 542 V HA -0.105 4.015 4.120 0.000 0.000 0.270 542 V C 0.534 176.642 176.094 0.023 0.000 1.149 542 V CA 1.672 64.076 62.300 0.174 0.000 1.160 542 V CB -0.790 31.157 31.823 0.208 0.000 0.758 542 V HN 0.670 nan 8.190 nan 0.000 0.516 543 K N 0.280 120.662 120.400 -0.030 0.000 2.572 543 K HA 0.398 4.718 4.320 0.000 0.000 0.263 543 K C -1.184 175.306 176.600 -0.183 0.000 0.932 543 K CA -0.630 55.463 56.287 -0.324 0.000 0.838 543 K CB 1.646 33.516 32.500 -1.051 0.000 1.366 543 K HN 0.219 nan 8.250 nan 0.000 0.425 544 Q N 5.233 124.927 119.800 -0.176 0.000 2.304 544 Q HA 0.423 4.763 4.340 0.000 0.000 0.270 544 Q C -1.327 174.561 176.000 -0.188 0.000 1.035 544 Q CA -0.882 54.859 55.803 -0.105 0.000 0.781 544 Q CB 1.336 30.049 28.738 -0.041 0.000 1.261 544 Q HN 0.512 nan 8.270 nan 0.000 0.444 545 I N 3.541 123.988 120.570 -0.205 0.000 2.389 545 I HA 0.344 4.514 4.170 0.000 0.000 0.288 545 I C -0.651 175.234 176.117 -0.387 0.000 0.999 545 I CA -0.510 60.530 61.300 -0.434 0.000 1.129 545 I CB 1.557 39.086 38.000 -0.785 0.000 1.288 545 I HN 0.702 nan 8.210 nan 0.000 0.444 546 D N 6.719 126.903 120.400 -0.359 0.000 2.274 546 D HA 0.371 5.011 4.640 0.000 0.000 0.239 546 D C -0.552 175.569 176.300 -0.298 0.000 1.104 546 D CA -0.021 53.862 54.000 -0.195 0.000 0.840 546 D CB 1.499 42.229 40.800 -0.117 0.000 1.100 546 D HN 0.108 nan 8.370 nan 0.000 0.477 547 F N 1.426 121.325 119.950 -0.085 0.000 2.399 547 F HA 0.449 4.976 4.527 0.000 0.000 0.328 547 F C 1.105 176.867 175.800 -0.064 0.000 1.084 547 F CA -0.577 57.372 58.000 -0.085 0.000 1.053 547 F CB 1.423 40.383 39.000 -0.065 0.000 1.209 547 F HN -0.079 nan 8.300 nan 0.000 0.502 548 R N 1.359 121.926 120.500 0.111 0.000 2.744 548 R HA 0.446 4.786 4.340 0.000 0.000 0.279 548 R C -2.830 173.474 176.300 0.007 0.000 0.977 548 R CA -2.015 54.107 56.100 0.036 0.000 0.906 548 R CB 2.060 32.357 30.300 -0.006 0.000 1.197 548 R HN 0.264 nan 8.270 nan 0.000 0.463 549 P HA 0.142 nan 4.420 nan 0.000 0.276 549 P C -1.253 175.983 177.300 -0.107 0.000 1.253 549 P CA -0.190 62.877 63.100 -0.056 0.000 0.766 549 P CB 0.625 32.299 31.700 -0.043 0.000 0.845 550 K N 2.896 123.172 120.400 -0.206 0.000 2.389 550 K HA 0.152 4.472 4.320 0.000 0.000 0.261 550 K C 0.090 176.454 176.600 -0.394 0.000 1.014 550 K CA -0.386 55.688 56.287 -0.354 0.000 0.920 550 K CB 1.161 33.234 32.500 -0.712 0.000 1.149 550 K HN 0.297 nan 8.250 nan 0.000 0.444 551 D N 1.142 121.409 120.400 -0.221 0.000 2.149 551 D HA -0.265 4.375 4.640 0.000 0.000 0.194 551 D C 1.525 177.685 176.300 -0.233 0.000 1.001 551 D CA 1.871 55.710 54.000 -0.268 0.000 0.849 551 D CB -0.204 40.560 40.800 -0.060 0.000 0.939 551 D HN 0.686 nan 8.370 nan 0.000 0.449 552 Y N -0.431 119.848 120.300 -0.034 0.000 2.421 552 Y HA 0.111 4.661 4.550 0.000 0.000 0.292 552 Y C 1.760 177.683 175.900 0.039 0.000 1.136 552 Y CA 0.460 58.580 58.100 0.033 0.000 1.255 552 Y CB -0.601 37.862 38.460 0.006 0.000 0.991 552 Y HN -0.006 nan 8.280 nan 0.000 0.552 553 L N 0.437 121.366 121.223 -0.489 0.000 2.270 553 L HA -0.018 4.322 4.340 0.000 0.000 0.210 553 L C 2.665 179.629 176.870 0.156 0.000 1.104 553 L CA 1.131 55.855 54.840 -0.193 0.000 0.804 553 L CB -0.248 41.525 42.059 -0.477 0.000 0.937 553 L HN 0.250 nan 8.230 nan 0.000 0.450 554 K N -0.790 119.577 120.400 -0.055 0.000 2.044 554 K HA -0.139 4.181 4.320 0.000 0.000 0.204 554 K C 2.140 178.735 176.600 -0.008 0.000 1.045 554 K CA 0.840 57.092 56.287 -0.059 0.000 0.951 554 K CB -0.014 32.362 32.500 -0.207 0.000 0.738 554 K HN 0.245 nan 8.250 nan 0.000 0.443 555 H N 0.445 119.556 119.070 0.067 0.000 2.456 555 H HA -0.131 4.425 4.556 0.000 0.000 0.296 555 H C 2.363 177.743 175.328 0.086 0.000 1.079 555 H CA 1.183 57.272 56.048 0.067 0.000 1.322 555 H CB -0.665 29.139 29.762 0.070 0.000 1.388 555 H HN 0.401 nan 8.280 nan 0.000 0.538 556 C N 0.538 119.979 119.300 0.235 0.000 2.446 556 C HA -0.042 4.418 4.460 0.000 0.000 0.277 556 C C 2.808 177.882 174.990 0.139 0.000 1.275 556 C CA 0.248 59.397 59.018 0.218 0.000 1.727 556 C CB -1.337 26.591 27.740 0.314 0.000 2.010 556 C HN 0.438 nan 8.230 nan 0.000 0.486 557 L N 0.616 121.890 121.223 0.086 0.000 2.056 557 L HA -0.113 4.228 4.340 0.000 0.000 0.207 557 L C 2.752 179.610 176.870 -0.020 0.000 1.078 557 L CA 1.901 56.702 54.840 -0.066 0.000 0.749 557 L CB -0.798 41.160 42.059 -0.167 0.000 0.901 557 L HN 0.463 nan 8.230 nan 0.000 0.433 558 E N 0.044 120.265 120.200 0.035 0.000 2.267 558 E HA -0.209 4.141 4.350 0.000 0.000 0.197 558 E C 1.527 178.160 176.600 0.055 0.000 0.998 558 E CA 0.820 57.248 56.400 0.046 0.000 0.830 558 E CB 0.006 29.760 29.700 0.089 0.000 0.751 558 E HN 0.474 nan 8.360 nan 0.000 0.491 559 R N -0.361 120.183 120.500 0.074 0.000 2.468 559 R HA 0.215 4.555 4.340 0.000 0.000 0.280 559 R C 0.187 176.553 176.300 0.110 0.000 0.963 559 R CA 0.027 56.176 56.100 0.083 0.000 1.083 559 R CB 0.913 31.266 30.300 0.088 0.000 1.200 559 R HN -0.144 nan 8.270 nan 0.000 0.541 560 S N 0.213 115.975 115.700 0.103 0.000 2.801 560 S HA 0.079 4.549 4.470 0.000 0.000 0.236 560 S C 0.458 175.102 174.600 0.074 0.000 0.852 560 S CA -0.410 57.909 58.200 0.197 0.000 1.089 560 S CB 0.563 63.851 63.200 0.146 0.000 1.376 560 S HN 0.258 nan 8.310 nan 0.000 0.470 561 E N 1.352 121.594 120.200 0.070 0.000 2.164 561 E HA -0.295 4.055 4.350 0.000 0.000 0.206 561 E C 1.522 178.086 176.600 -0.060 0.000 1.032 561 E CA 2.152 58.544 56.400 -0.013 0.000 0.832 561 E CB -0.662 29.054 29.700 0.027 0.000 0.742 561 E HN 0.855 nan 8.360 nan 0.000 0.460 562 F N 0.738 120.620 119.950 -0.113 0.000 2.271 562 F HA -0.165 4.362 4.527 -0.000 0.000 0.302 562 F C 1.774 177.453 175.800 -0.203 0.000 1.063 562 F CA 0.862 58.784 58.000 -0.131 0.000 1.362 562 F CB -0.329 38.613 39.000 -0.097 0.000 1.060 562 F HN -0.089 nan 8.300 nan 0.000 0.521 563 L N -0.007 120.566 121.223 -1.083 0.000 2.376 563 L HA -0.043 4.297 4.340 0.000 0.000 0.219 563 L C 2.083 178.571 176.870 -0.637 0.000 1.133 563 L CA 0.612 54.832 54.840 -1.034 0.000 0.816 563 L CB -0.279 41.162 42.059 -1.030 0.000 0.933 563 L HN 0.345 nan 8.230 nan 0.000 0.449 564 L N -1.499 119.450 121.223 -0.457 0.000 2.425 564 L HA 0.023 4.363 4.340 0.000 0.000 0.215 564 L C 2.291 179.025 176.870 -0.227 0.000 1.065 564 L CA 0.271 54.915 54.840 -0.327 0.000 0.842 564 L CB -0.003 41.894 42.059 -0.269 0.000 1.033 564 L HN 0.140 nan 8.230 nan 0.000 0.474 565 E N 0.643 120.734 120.200 -0.181 0.000 2.072 565 E HA -0.190 4.160 4.350 0.000 0.000 0.191 565 E C 1.647 178.180 176.600 -0.111 0.000 0.985 565 E CA 0.967 57.304 56.400 -0.106 0.000 0.801 565 E CB 0.031 29.704 29.700 -0.046 0.000 0.750 565 E HN 0.351 nan 8.360 nan 0.000 0.452 566 K N 0.229 120.532 120.400 -0.161 0.000 2.400 566 K HA 0.112 4.432 4.320 0.000 0.000 0.194 566 K C -0.179 176.282 176.600 -0.233 0.000 1.033 566 K CA -0.013 56.176 56.287 -0.163 0.000 1.021 566 K CB 0.327 32.714 32.500 -0.190 0.000 0.808 566 K HN 0.007 nan 8.250 nan 0.000 0.505 567 R N 0.689 121.019 120.500 -0.283 0.000 3.184 567 R HA -0.151 4.189 4.340 0.000 0.000 0.257 567 R C 0.505 176.579 176.300 -0.376 0.000 0.999 567 R CA 0.040 55.979 56.100 -0.269 0.000 0.670 567 R CB -1.949 28.266 30.300 -0.141 0.000 1.197 567 R HN 0.169 nan 8.270 nan 0.000 0.419 568 I N 0.921 121.144 120.570 -0.578 0.000 2.185 568 I HA -0.199 3.971 4.170 0.000 0.000 0.235 568 I C 2.772 178.699 176.117 -0.316 0.000 1.069 568 I CA 1.694 62.555 61.300 -0.731 0.000 1.354 568 I CB -1.057 36.426 38.000 -0.863 0.000 1.093 568 I HN 0.449 nan 8.210 nan 0.000 0.411 569 I N 0.865 121.244 120.570 -0.319 0.000 2.367 569 I HA -0.308 3.862 4.170 0.000 0.000 0.256 569 I C 1.504 177.601 176.117 -0.033 0.000 1.132 569 I CA 1.699 62.911 61.300 -0.147 0.000 1.397 569 I CB -0.734 37.040 38.000 -0.376 0.000 1.074 569 I HN 0.484 nan 8.210 nan 0.000 0.435 570 Q N 1.545 121.293 119.800 -0.086 0.000 2.206 570 Q HA 0.372 4.712 4.340 0.000 0.000 0.265 570 Q C 0.126 176.129 176.000 0.005 0.000 0.866 570 Q CA -0.265 55.521 55.803 -0.028 0.000 1.073 570 Q CB 0.447 29.149 28.738 -0.060 0.000 1.165 570 Q HN 0.402 nan 8.270 nan 0.000 0.465 571 S N -0.639 115.098 115.700 0.062 0.000 2.501 571 S HA 0.566 5.036 4.470 0.000 0.000 0.301 571 S C 1.045 175.719 174.600 0.122 0.000 1.096 571 S CA -0.038 58.242 58.200 0.133 0.000 1.063 571 S CB 1.469 64.869 63.200 0.334 0.000 1.042 571 S HN 0.397 nan 8.310 nan 0.000 0.494 572 G N 3.458 112.295 108.800 0.062 0.000 2.446 572 G HA2 -0.128 3.832 3.960 0.000 0.000 0.217 572 G HA3 -0.128 3.832 3.960 0.000 0.000 0.217 572 G C 1.228 176.122 174.900 -0.010 0.000 1.168 572 G CA 0.989 46.094 45.100 0.008 0.000 0.771 572 G HN 0.771 nan 8.290 nan 0.000 0.551 573 I N 1.567 122.129 120.570 -0.013 0.000 2.264 573 I HA -0.226 3.944 4.170 0.000 0.000 0.248 573 I C 3.287 179.431 176.117 0.045 0.000 1.111 573 I CA 0.945 62.195 61.300 -0.084 0.000 1.382 573 I CB -0.236 37.637 38.000 -0.212 0.000 1.060 573 I HN 0.246 nan 8.210 nan 0.000 0.418 574 A N 0.937 123.916 122.820 0.265 0.000 1.948 574 A HA -0.183 4.137 4.320 0.000 0.000 0.220 574 A C 2.309 180.008 177.584 0.193 0.000 1.177 574 A CA 1.592 53.831 52.037 0.338 0.000 0.636 574 A CB -0.748 18.460 19.000 0.346 0.000 0.815 574 A HN 0.402 nan 8.150 nan 0.000 0.449 575 L N -1.391 119.914 121.223 0.136 0.000 2.023 575 L HA -0.103 4.237 4.340 0.000 0.000 0.205 575 L C 2.504 179.430 176.870 0.093 0.000 1.073 575 L CA 1.076 55.994 54.840 0.131 0.000 0.745 575 L CB -0.671 41.450 42.059 0.104 0.000 0.900 575 L HN 0.463 nan 8.230 nan 0.000 0.435 576 L N 0.224 121.426 121.223 -0.034 0.000 2.089 576 L HA -0.258 4.082 4.340 0.000 0.000 0.213 576 L C 2.290 179.135 176.870 -0.042 0.000 1.079 576 L CA 1.770 56.527 54.840 -0.138 0.000 0.758 576 L CB -0.592 41.236 42.059 -0.384 0.000 0.891 576 L HN 0.129 nan 8.230 nan 0.000 0.433 577 L N -1.423 119.776 121.223 -0.039 0.000 1.976 577 L HA -0.270 4.070 4.340 0.000 0.000 0.209 577 L C 2.670 179.613 176.870 0.121 0.000 1.071 577 L CA 2.048 56.868 54.840 -0.034 0.000 0.746 577 L CB -0.461 41.562 42.059 -0.059 0.000 0.890 577 L HN 0.431 nan 8.230 nan 0.000 0.432 578 M N -0.400 119.326 119.600 0.210 0.000 2.108 578 M HA -0.305 4.175 4.480 0.000 0.000 0.257 578 M C 2.239 178.826 176.300 0.480 0.000 1.071 578 M CA 1.911 57.452 55.300 0.401 0.000 1.093 578 M CB -0.120 32.730 32.600 0.418 0.000 1.345 578 M HN 0.209 nan 8.290 nan 0.000 0.403 579 L N 0.045 121.487 121.223 0.365 0.000 2.046 579 L HA -0.252 4.088 4.340 0.000 0.000 0.208 579 L C 2.378 179.548 176.870 0.500 0.000 1.077 579 L CA 0.863 55.965 54.840 0.435 0.000 0.747 579 L CB -0.578 41.758 42.059 0.462 0.000 0.896 579 L HN 0.392 nan 8.230 nan 0.000 0.432 580 I N -1.250 119.525 120.570 0.342 0.000 2.179 580 I HA -0.357 3.813 4.170 0.000 0.000 0.242 580 I C 2.317 178.578 176.117 0.240 0.000 1.088 580 I CA 1.632 63.046 61.300 0.191 0.000 1.357 580 I CB -1.413 36.625 38.000 0.063 0.000 1.051 580 I HN 0.571 nan 8.210 nan 0.000 0.409 581 W N 1.183 122.469 121.300 -0.022 0.000 2.301 581 W HA -0.332 4.328 4.660 0.000 0.000 0.325 581 W C 2.464 178.830 176.519 -0.255 0.000 1.250 581 W CA 1.801 59.011 57.345 -0.226 0.000 1.261 581 W CB -0.294 28.915 29.460 -0.419 0.000 1.157 581 W HN 0.057 nan 8.180 nan 0.000 0.473 582 Y N -0.161 120.174 120.300 0.059 0.000 2.475 582 Y HA 0.080 4.630 4.550 0.000 0.000 0.247 582 Y C 1.165 177.066 175.900 0.001 0.000 1.023 582 Y CA 0.524 58.588 58.100 -0.060 0.000 1.058 582 Y CB -1.386 37.091 38.460 0.030 0.000 1.033 582 Y HN -0.408 nan 8.280 nan 0.000 0.472 583 R N 2.209 122.869 120.500 0.266 0.000 2.640 583 R HA -0.140 4.200 4.340 0.000 0.000 0.255 583 R C -2.641 173.768 176.300 0.183 0.000 0.882 583 R CA -0.159 56.022 56.100 0.134 0.000 1.082 583 R CB -1.324 29.031 30.300 0.092 0.000 0.883 583 R HN 0.189 nan 8.270 nan 0.000 0.421 584 P HA 0.028 nan 4.420 nan 0.000 0.272 584 P C 0.934 178.361 177.300 0.212 0.000 1.240 584 P CA -0.442 62.715 63.100 0.096 0.000 0.791 584 P CB 0.546 32.266 31.700 0.035 0.000 0.978 585 V N 1.101 121.110 119.914 0.157 0.000 2.427 585 V HA -0.256 3.864 4.120 0.000 0.000 0.248 585 V C 2.313 178.548 176.094 0.235 0.000 1.051 585 V CA 2.534 64.954 62.300 0.199 0.000 1.048 585 V CB -1.704 30.169 31.823 0.083 0.000 0.666 585 V HN 0.660 nan 8.190 nan 0.000 0.456 586 A N -0.143 122.759 122.820 0.137 0.000 2.032 586 A HA -0.277 4.043 4.320 0.000 0.000 0.221 586 A C 2.124 179.775 177.584 0.113 0.000 1.165 586 A CA 1.992 54.093 52.037 0.107 0.000 0.645 586 A CB -0.450 18.591 19.000 0.067 0.000 0.807 586 A HN 0.680 nan 8.150 nan 0.000 0.453 587 E N -1.558 118.698 120.200 0.093 0.000 2.274 587 E HA -0.017 4.333 4.350 0.000 0.000 0.194 587 E C -0.481 176.100 176.600 -0.031 0.000 0.996 587 E CA 0.066 56.461 56.400 -0.008 0.000 0.840 587 E CB -0.055 29.456 29.700 -0.314 0.000 0.772 587 E HN 0.662 nan 8.360 nan 0.000 0.491 588 F N 0.960 120.950 119.950 0.068 0.000 2.375 588 F HA 0.312 4.839 4.527 0.000 0.000 0.333 588 F C 0.707 176.527 175.800 0.033 0.000 1.104 588 F CA -0.999 57.039 58.000 0.064 0.000 1.149 588 F CB 0.662 39.713 39.000 0.085 0.000 1.190 588 F HN -0.182 nan 8.300 nan 0.000 0.533 589 A N 3.464 126.387 122.820 0.171 0.000 2.548 589 A HA 0.079 4.399 4.320 0.000 0.000 0.247 589 A C 1.456 179.106 177.584 0.110 0.000 1.067 589 A CA -0.568 51.522 52.037 0.088 0.000 0.757 589 A CB 0.165 19.181 19.000 0.026 0.000 0.996 589 A HN 0.824 nan 8.150 nan 0.000 0.504 590 Q N 3.958 123.806 119.800 0.081 0.000 2.118 590 Q HA -0.283 4.057 4.340 0.000 0.000 0.211 590 Q C 1.696 177.733 176.000 0.061 0.000 0.998 590 Q CA 2.579 58.424 55.803 0.070 0.000 0.872 590 Q CB -1.818 26.950 28.738 0.051 0.000 0.925 590 Q HN 1.120 nan 8.270 nan 0.000 0.414 591 S N 1.058 116.789 115.700 0.051 0.000 2.488 591 S HA -0.106 4.364 4.470 0.000 0.000 0.246 591 S C 1.865 176.499 174.600 0.056 0.000 0.992 591 S CA 1.338 59.565 58.200 0.045 0.000 0.963 591 S CB -0.756 62.465 63.200 0.035 0.000 0.754 591 S HN 0.717 nan 8.310 nan 0.000 0.519 592 I N -3.842 116.772 120.570 0.074 0.000 4.219 592 I HA 0.309 4.479 4.170 0.000 0.000 0.329 592 I C 1.459 177.618 176.117 0.070 0.000 1.427 592 I CA -0.554 60.793 61.300 0.079 0.000 1.151 592 I CB -0.064 37.998 38.000 0.103 0.000 1.369 592 I HN -0.035 nan 8.210 nan 0.000 0.521 593 Q N 2.080 121.924 119.800 0.073 0.000 2.077 593 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 593 Q C 2.463 178.469 176.000 0.010 0.000 0.989 593 Q CA 2.844 58.677 55.803 0.050 0.000 0.853 593 Q CB -0.175 28.607 28.738 0.073 0.000 0.907 593 Q HN 0.828 nan 8.270 nan 0.000 0.418 594 S N 0.826 116.542 115.700 0.028 0.000 2.369 594 S HA -0.314 4.156 4.470 0.000 0.000 0.225 594 S C 1.920 176.540 174.600 0.033 0.000 1.043 594 S CA 1.513 59.727 58.200 0.024 0.000 1.074 594 S CB -0.490 62.727 63.200 0.028 0.000 0.962 594 S HN 0.320 nan 8.310 nan 0.000 0.433 595 R N 0.609 121.145 120.500 0.059 0.000 2.103 595 R HA -0.080 4.260 4.340 0.000 0.000 0.242 595 R C 2.189 178.581 176.300 0.153 0.000 1.142 595 R CA 1.880 58.056 56.100 0.126 0.000 0.960 595 R CB -0.621 29.763 30.300 0.140 0.000 0.858 595 R HN 0.511 nan 8.270 nan 0.000 0.439 596 I N -0.145 120.424 120.570 -0.002 0.000 2.361 596 I HA -0.242 3.928 4.170 0.000 0.000 0.251 596 I C 2.087 178.183 176.117 -0.035 0.000 1.133 596 I CA 0.989 62.204 61.300 -0.142 0.000 1.413 596 I CB -0.197 37.462 38.000 -0.568 0.000 1.073 596 I HN 0.013 nan 8.210 nan 0.000 0.424 597 V N -0.046 119.856 119.914 -0.020 0.000 2.358 597 V HA -0.272 3.848 4.120 0.000 0.000 0.246 597 V C 2.454 178.557 176.094 0.015 0.000 1.047 597 V CA 1.880 64.177 62.300 -0.005 0.000 1.035 597 V CB -0.638 31.181 31.823 -0.007 0.000 0.658 597 V HN 0.474 nan 8.190 nan 0.000 0.452 598 E N -1.202 119.009 120.200 0.019 0.000 2.160 598 E HA -0.265 4.085 4.350 0.000 0.000 0.195 598 E C 2.017 178.541 176.600 -0.127 0.000 0.991 598 E CA 1.778 58.143 56.400 -0.058 0.000 0.810 598 E CB -0.109 29.548 29.700 -0.071 0.000 0.742 598 E HN 0.740 nan 8.360 nan 0.000 0.466 599 W N 0.579 121.844 121.300 -0.057 0.000 2.494 599 W HA 0.085 4.745 4.660 0.000 0.000 0.286 599 W C 2.330 178.830 176.519 -0.032 0.000 1.218 599 W CA 0.391 57.702 57.345 -0.057 0.000 1.313 599 W CB 0.134 29.543 29.460 -0.085 0.000 1.105 599 W HN -0.071 nan 8.180 nan 0.000 0.561 600 K N 0.514 121.016 120.400 0.170 0.000 2.152 600 K HA -0.194 4.126 4.320 0.000 0.000 0.206 600 K C 1.608 178.263 176.600 0.091 0.000 1.048 600 K CA 1.632 57.989 56.287 0.118 0.000 0.933 600 K CB -0.049 32.470 32.500 0.031 0.000 0.721 600 K HN 0.258 nan 8.250 nan 0.000 0.447 601 E N -0.067 120.156 120.200 0.038 0.000 2.028 601 E HA -0.197 4.153 4.350 0.000 0.000 0.190 601 E C 2.018 178.633 176.600 0.025 0.000 0.984 601 E CA 0.754 57.163 56.400 0.014 0.000 0.800 601 E CB -0.088 29.598 29.700 -0.023 0.000 0.758 601 E HN 0.081 nan 8.360 nan 0.000 0.448 602 R N 1.640 122.118 120.500 -0.035 0.000 2.112 602 R HA -0.186 4.154 4.340 0.000 0.000 0.242 602 R C 2.122 178.456 176.300 0.057 0.000 1.137 602 R CA 1.518 57.575 56.100 -0.072 0.000 0.944 602 R CB -0.939 29.187 30.300 -0.290 0.000 0.857 602 R HN 0.135 nan 8.270 nan 0.000 0.435 603 L N 0.379 121.684 121.223 0.136 0.000 2.187 603 L HA -0.150 4.190 4.340 0.000 0.000 0.213 603 L C 2.085 179.180 176.870 0.374 0.000 1.100 603 L CA 1.982 56.953 54.840 0.219 0.000 0.765 603 L CB -0.500 41.716 42.059 0.261 0.000 0.904 603 L HN 0.378 nan 8.230 nan 0.000 0.437 604 D N -0.349 120.235 120.400 0.307 0.000 2.149 604 D HA -0.179 4.461 4.640 0.000 0.000 0.206 604 D C 2.183 178.595 176.300 0.187 0.000 0.967 604 D CA 1.007 55.172 54.000 0.275 0.000 0.848 604 D CB 0.086 40.961 40.800 0.125 0.000 0.998 604 D HN 0.021 nan 8.370 nan 0.000 0.474 605 K N -0.138 120.329 120.400 0.112 0.000 2.209 605 K HA -0.118 4.202 4.320 0.000 0.000 0.204 605 K C 1.636 178.274 176.600 0.064 0.000 1.048 605 K CA 0.911 57.234 56.287 0.060 0.000 0.940 605 K CB 0.193 32.704 32.500 0.018 0.000 0.729 605 K HN 0.068 nan 8.250 nan 0.000 0.451 606 E N -0.693 119.582 120.200 0.124 0.000 2.216 606 E HA 0.056 4.406 4.350 0.000 0.000 0.192 606 E C -0.393 176.214 176.600 0.012 0.000 0.973 606 E CA 0.498 56.959 56.400 0.101 0.000 0.851 606 E CB 0.363 30.199 29.700 0.228 0.000 0.804 606 E HN 0.032 nan 8.360 nan 0.000 0.477 607 F N -0.436 119.558 119.950 0.074 0.000 2.551 607 F HA 0.322 4.849 4.527 0.000 0.000 0.316 607 F C 0.331 176.250 175.800 0.197 0.000 1.089 607 F CA -0.764 57.301 58.000 0.109 0.000 0.915 607 F CB 1.952 40.971 39.000 0.030 0.000 1.186 607 F HN -0.382 nan 8.300 nan 0.000 0.456 608 S N 2.177 118.055 115.700 0.296 0.000 2.565 608 S HA 0.430 4.900 4.470 0.000 0.000 0.290 608 S C 1.002 175.799 174.600 0.327 0.000 1.150 608 S CA -0.553 57.790 58.200 0.238 0.000 1.058 608 S CB 0.885 64.157 63.200 0.120 0.000 1.032 608 S HN 0.633 nan 8.310 nan 0.000 0.510 609 L N 3.977 125.347 121.223 0.245 0.000 1.963 609 L HA -0.100 4.240 4.340 0.000 0.000 0.220 609 L C 2.779 179.810 176.870 0.268 0.000 1.076 609 L CA 2.260 57.243 54.840 0.240 0.000 0.772 609 L CB -1.060 41.055 42.059 0.093 0.000 0.892 609 L HN 0.785 nan 8.230 nan 0.000 0.435 610 S N -1.524 114.279 115.700 0.172 0.000 2.440 610 S HA -0.140 4.330 4.470 0.000 0.000 0.238 610 S C 1.950 176.652 174.600 0.170 0.000 1.010 610 S CA 1.059 59.344 58.200 0.141 0.000 0.972 610 S CB -0.213 63.032 63.200 0.074 0.000 0.774 610 S HN 0.243 nan 8.310 nan 0.000 0.501 611 V N 0.177 120.216 119.914 0.208 0.000 2.427 611 V HA -0.124 3.996 4.120 0.000 0.000 0.248 611 V C 1.865 178.133 176.094 0.289 0.000 1.051 611 V CA 1.892 64.317 62.300 0.209 0.000 1.048 611 V CB -0.733 31.200 31.823 0.183 0.000 0.666 611 V HN 0.684 nan 8.190 nan 0.000 0.456 612 Y N 0.864 121.326 120.300 0.270 0.000 2.243 612 Y HA -0.166 4.384 4.550 0.000 0.000 0.293 612 Y C 2.658 178.691 175.900 0.221 0.000 1.124 612 Y CA 1.565 59.815 58.100 0.251 0.000 1.159 612 Y CB -0.076 38.593 38.460 0.349 0.000 1.008 612 Y HN 0.285 nan 8.280 nan 0.000 0.527 613 Q N 0.084 120.096 119.800 0.353 0.000 2.096 613 Q HA -0.258 4.082 4.340 0.000 0.000 0.204 613 Q C 2.092 178.197 176.000 0.175 0.000 0.982 613 Q CA 1.802 57.759 55.803 0.256 0.000 0.850 613 Q CB -0.248 28.608 28.738 0.198 0.000 0.901 613 Q HN 0.188 nan 8.270 nan 0.000 0.422 614 K N 1.200 121.686 120.400 0.143 0.000 2.001 614 K HA -0.183 4.137 4.320 0.000 0.000 0.214 614 K C 1.896 178.613 176.600 0.196 0.000 1.050 614 K CA 1.814 58.192 56.287 0.151 0.000 0.934 614 K CB -0.277 32.291 32.500 0.114 0.000 0.718 614 K HN 0.156 nan 8.250 nan 0.000 0.443 615 M N 0.296 119.951 119.600 0.092 0.000 2.115 615 M HA -0.239 4.241 4.480 0.000 0.000 0.258 615 M C 2.334 178.670 176.300 0.059 0.000 1.071 615 M CA 2.212 57.541 55.300 0.048 0.000 1.100 615 M CB -0.558 31.991 32.600 -0.084 0.000 1.292 615 M HN 0.122 nan 8.290 nan 0.000 0.415 616 K N -0.270 120.113 120.400 -0.029 0.000 2.228 616 K HA -0.225 4.095 4.320 0.000 0.000 0.205 616 K C 1.750 178.440 176.600 0.150 0.000 1.045 616 K CA 1.458 57.780 56.287 0.059 0.000 0.931 616 K CB -0.179 32.377 32.500 0.093 0.000 0.727 616 K HN 0.192 nan 8.250 nan 0.000 0.458 617 F N 1.729 121.702 119.950 0.039 0.000 2.074 617 F HA -0.122 4.405 4.527 0.000 0.000 0.293 617 F C 1.878 177.705 175.800 0.046 0.000 1.116 617 F CA 1.358 59.382 58.000 0.041 0.000 1.212 617 F CB -0.470 38.556 39.000 0.044 0.000 0.998 617 F HN 0.059 nan 8.300 nan 0.000 0.471 618 N N 0.720 119.469 118.700 0.083 0.000 2.094 618 N HA -0.191 4.549 4.740 0.000 0.000 0.191 618 N C 2.054 177.560 175.510 -0.007 0.000 1.023 618 N CA 1.897 54.945 53.050 -0.003 0.000 0.857 618 N CB -0.750 37.813 38.487 0.127 0.000 1.013 618 N HN 0.239 nan 8.380 nan 0.000 0.426 619 V N 1.685 121.645 119.914 0.075 0.000 2.380 619 V HA -0.241 3.879 4.120 0.000 0.000 0.251 619 V C 2.429 178.610 176.094 0.145 0.000 1.063 619 V CA 1.906 64.299 62.300 0.155 0.000 1.055 619 V CB -0.913 31.005 31.823 0.159 0.000 0.657 619 V HN 0.330 nan 8.190 nan 0.000 0.455 620 A N -0.736 122.047 122.820 -0.062 0.000 1.968 620 A HA -0.108 4.212 4.320 0.000 0.000 0.217 620 A C 2.186 179.574 177.584 -0.326 0.000 1.169 620 A CA 1.535 53.384 52.037 -0.314 0.000 0.638 620 A CB -0.318 18.457 19.000 -0.374 0.000 0.812 620 A HN 0.425 nan 8.150 nan 0.000 0.446 621 M N -1.485 117.941 119.600 -0.290 0.000 2.200 621 M HA 0.102 4.582 4.480 0.000 0.000 0.265 621 M C 1.473 177.764 176.300 -0.014 0.000 1.066 621 M CA 1.339 56.500 55.300 -0.231 0.000 1.127 621 M CB -1.404 31.012 32.600 -0.306 0.000 1.379 621 M HN 0.885 nan 8.290 nan 0.000 0.420 622 G N 1.895 110.744 108.800 0.082 0.000 2.356 622 G HA2 -0.148 3.812 3.960 0.000 0.000 0.233 622 G HA3 -0.148 3.812 3.960 0.000 0.000 0.233 622 G C -0.192 174.793 174.900 0.142 0.000 1.105 622 G CA -0.069 45.147 45.100 0.192 0.000 0.861 622 G HN 0.430 nan 8.290 nan 0.000 0.493 623 I N -0.958 119.679 120.570 0.110 0.000 3.343 623 I HA 0.694 4.864 4.170 0.000 0.000 0.315 623 I C 1.189 177.377 176.117 0.118 0.000 1.153 623 I CA -1.146 60.212 61.300 0.097 0.000 0.952 623 I CB 1.392 39.431 38.000 0.066 0.000 1.287 623 I HN 0.200 nan 8.210 nan 0.000 0.472 624 G N 1.288 110.152 108.800 0.107 0.000 2.138 624 G HA2 0.194 4.154 3.960 0.000 0.000 0.263 624 G HA3 0.194 4.154 3.960 0.000 0.000 0.263 624 G C 1.093 176.078 174.900 0.142 0.000 1.103 624 G CA 0.188 45.362 45.100 0.124 0.000 1.014 624 G HN 0.688 nan 8.290 nan 0.000 0.418 625 V N 1.898 121.923 119.914 0.185 0.000 2.828 625 V HA -0.000 4.120 4.120 0.000 0.000 0.260 625 V C 1.287 177.481 176.094 0.166 0.000 1.101 625 V CA 1.044 63.457 62.300 0.188 0.000 1.123 625 V CB -0.967 30.991 31.823 0.223 0.000 0.704 625 V HN 0.471 nan 8.190 nan 0.000 0.493 626 L N -0.068 121.241 121.223 0.143 0.000 2.335 626 L HA 0.554 4.894 4.340 0.000 0.000 0.268 626 L C 0.451 177.359 176.870 0.063 0.000 1.016 626 L CA -0.375 54.518 54.840 0.089 0.000 0.805 626 L CB 0.762 42.830 42.059 0.016 0.000 1.311 626 L HN 0.251 nan 8.230 nan 0.000 0.456 627 D N 0.000 120.425 120.400 0.042 0.000 6.856 627 D HA 0.000 4.640 4.640 0.000 0.000 0.175 627 D CA 0.000 54.020 54.000 0.033 0.000 0.868 627 D CB 0.000 40.811 40.800 0.018 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683