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 3l7l_1_A DATA FIRST_RESID 314 DATA SEQUENCE FKVNQFRKTL RHVKNIVLRR KNKERSLYDL TDKEDNVKPK TIVFESFGGK DATA SEQUENCE NYSDSPKYIY EYMQKYYPNY RYIWSFKNPD KNVVPGSAEK VKRNSAEYYQ DATA SEQUENCE AYSEASHWVS NARTPLYLNK KENQTYIQTW NGTPLKRLAN DMKVVRMPGT DATA SEQUENCE TTPKYKRNFN RETSRWDYLI SPNRYSTEIF RSAFWMDEER ILEIGYPRND DATA SEQUENCE VLVNRANDQE YLDEIRTHLN LPSDKKVIMY APTWRDDEFV SKGKYLFELK DATA SEQUENCE IDLDNLYKEL GDDYVILLRM HYLISNALDL SGYENFAIDV SNYNDVSELF DATA SEQUENCE LISDCLITDY SSVMFDYGIL KRPQFFFAYD IDKYDKGLRG FYMNYMEDLP DATA SEQUENCE GPIYTEPYGL AKELKNLDKV QQQYQEKIDA FYDRFCSVDN GKASQYIGDL DATA SEQUENCE IHKDIKEQLE 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 314 F HA 0.000 nan 4.527 nan 0.000 0.279 314 F C 0.000 175.789 175.800 -0.018 0.000 0.967 314 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 314 F CB 0.000 38.982 39.000 -0.030 0.000 1.145 315 K N 1.898 122.359 120.400 0.102 0.000 2.298 315 K HA 0.384 4.705 4.320 -0.000 0.000 0.280 315 K C 1.239 177.907 176.600 0.114 0.000 1.032 315 K CA -0.212 56.118 56.287 0.073 0.000 0.958 315 K CB 1.884 34.399 32.500 0.026 0.000 0.978 315 K HN 0.532 nan 8.250 nan 0.000 0.472 316 V N 0.597 120.564 119.914 0.089 0.000 2.407 316 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 316 V C 1.387 177.567 176.094 0.143 0.000 1.055 316 V CA 1.636 64.010 62.300 0.123 0.000 1.049 316 V CB -0.415 31.453 31.823 0.075 0.000 0.662 316 V HN 0.647 nan 8.190 nan 0.000 0.455 317 N N 0.222 118.974 118.700 0.086 0.000 2.120 317 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 317 N C 1.997 177.548 175.510 0.068 0.000 1.024 317 N CA 1.787 54.875 53.050 0.064 0.000 0.852 317 N CB -0.471 38.034 38.487 0.030 0.000 1.003 317 N HN 0.578 nan 8.380 nan 0.000 0.424 318 Q N -0.389 119.460 119.800 0.082 0.000 2.079 318 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 318 Q C 1.867 177.942 176.000 0.126 0.000 0.974 318 Q CA 0.646 56.493 55.803 0.074 0.000 0.840 318 Q CB -0.458 28.316 28.738 0.061 0.000 0.898 318 Q HN 0.355 nan 8.270 nan 0.000 0.430 319 F N 1.817 121.793 119.950 0.044 0.000 2.161 319 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 319 F C 2.245 178.067 175.800 0.036 0.000 1.089 319 F CA 1.486 59.518 58.000 0.054 0.000 1.282 319 F CB -0.002 39.033 39.000 0.060 0.000 1.010 319 F HN -0.028 nan 8.300 nan 0.000 0.485 320 R N 0.264 120.774 120.500 0.017 0.000 2.066 320 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 320 R C 2.207 178.447 176.300 -0.099 0.000 1.131 320 R CA 1.723 57.777 56.100 -0.078 0.000 0.955 320 R CB -0.437 29.875 30.300 0.021 0.000 0.851 320 R HN 0.264 nan 8.270 nan 0.000 0.432 321 K N -0.295 120.077 120.400 -0.046 0.000 2.152 321 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 321 K C 2.056 178.625 176.600 -0.052 0.000 1.048 321 K CA 1.572 57.835 56.287 -0.040 0.000 0.933 321 K CB -0.091 32.388 32.500 -0.035 0.000 0.721 321 K HN 0.113 nan 8.250 nan 0.000 0.447 322 T N 1.192 115.693 114.554 -0.088 0.000 2.770 322 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 322 T C 1.592 176.224 174.700 -0.114 0.000 1.039 322 T CA 0.665 62.718 62.100 -0.078 0.000 1.142 322 T CB -0.030 68.800 68.868 -0.063 0.000 0.868 322 T HN -0.023 nan 8.240 nan 0.000 0.435 323 L N 1.177 122.232 121.223 -0.279 0.000 2.046 323 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 323 L C 2.477 179.275 176.870 -0.120 0.000 1.077 323 L CA 1.584 56.272 54.840 -0.254 0.000 0.747 323 L CB -0.810 41.014 42.059 -0.392 0.000 0.896 323 L HN 0.120 nan 8.230 nan 0.000 0.432 324 R N -1.747 118.700 120.500 -0.088 0.000 2.120 324 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 324 R C 2.370 178.663 176.300 -0.011 0.000 1.123 324 R CA 1.437 57.510 56.100 -0.045 0.000 0.975 324 R CB -0.177 30.105 30.300 -0.030 0.000 0.866 324 R HN 0.484 nan 8.270 nan 0.000 0.446 325 H N -0.755 118.266 119.070 -0.081 0.000 2.395 325 H HA 0.001 4.557 4.556 -0.000 0.000 0.299 325 H C 1.710 177.005 175.328 -0.056 0.000 1.070 325 H CA 1.626 57.635 56.048 -0.065 0.000 1.356 325 H CB 0.068 29.795 29.762 -0.058 0.000 1.401 325 H HN -0.013 nan 8.280 nan 0.000 0.524 326 V N 1.013 120.888 119.914 -0.064 0.000 2.332 326 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 326 V C 2.504 178.523 176.094 -0.125 0.000 1.055 326 V CA 2.230 64.469 62.300 -0.101 0.000 1.038 326 V CB -0.599 31.196 31.823 -0.046 0.000 0.651 326 V HN 0.425 nan 8.190 nan 0.000 0.450 327 K N 0.287 120.626 120.400 -0.100 0.000 2.020 327 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 327 K C 2.084 178.617 176.600 -0.112 0.000 1.050 327 K CA 2.178 58.411 56.287 -0.089 0.000 0.929 327 K CB -0.225 32.232 32.500 -0.071 0.000 0.714 327 K HN 0.427 nan 8.250 nan 0.000 0.443 328 N N 0.649 119.261 118.700 -0.147 0.000 2.142 328 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 328 N C 1.798 177.192 175.510 -0.193 0.000 1.023 328 N CA 1.047 54.002 53.050 -0.158 0.000 0.852 328 N CB -0.260 38.133 38.487 -0.156 0.000 0.998 328 N HN 0.139 nan 8.380 nan 0.000 0.424 329 I N 0.433 120.821 120.570 -0.303 0.000 2.179 329 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 329 I C 2.085 178.122 176.117 -0.134 0.000 1.088 329 I CA 0.797 61.946 61.300 -0.253 0.000 1.357 329 I CB -0.344 37.462 38.000 -0.323 0.000 1.051 329 I HN -0.103 nan 8.210 nan 0.000 0.409 330 V N -0.121 119.725 119.914 -0.114 0.000 2.591 330 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 330 V C 2.027 178.086 176.094 -0.058 0.000 1.053 330 V CA 1.145 63.403 62.300 -0.070 0.000 1.068 330 V CB -0.298 31.491 31.823 -0.057 0.000 0.689 330 V HN 0.326 nan 8.190 nan 0.000 0.462 331 L N -0.864 120.320 121.223 -0.066 0.000 2.592 331 L HA 0.216 4.556 4.340 -0.000 0.000 0.227 331 L C 1.153 177.994 176.870 -0.048 0.000 1.127 331 L CA 0.141 54.950 54.840 -0.051 0.000 0.884 331 L CB -0.099 41.930 42.059 -0.049 0.000 1.065 331 L HN 0.288 nan 8.230 nan 0.000 0.457 332 R N -0.133 120.333 120.500 -0.058 0.000 3.651 332 R HA -0.160 4.180 4.340 -0.000 0.000 0.292 332 R C -0.113 176.160 176.300 -0.045 0.000 1.161 332 R CA 0.139 56.210 56.100 -0.048 0.000 0.787 332 R CB -1.416 28.864 30.300 -0.033 0.000 1.249 332 R HN 0.124 nan 8.270 nan 0.000 0.476 333 R N 1.027 121.493 120.500 -0.057 0.000 2.590 333 R HA 0.017 4.357 4.340 -0.000 0.000 0.274 333 R C 1.318 177.591 176.300 -0.046 0.000 1.061 333 R CA 0.276 56.345 56.100 -0.051 0.000 1.081 333 R CB 0.420 30.683 30.300 -0.061 0.000 0.984 333 R HN 0.168 nan 8.270 nan 0.000 0.448 334 K N 1.826 122.204 120.400 -0.037 0.000 2.442 334 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 334 K C 0.625 177.206 176.600 -0.031 0.000 1.042 334 K CA 1.094 57.364 56.287 -0.027 0.000 0.958 334 K CB 0.138 32.625 32.500 -0.023 0.000 0.766 334 K HN 0.358 nan 8.250 nan 0.000 0.474 335 N N 1.326 119.995 118.700 -0.052 0.000 2.467 335 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 335 N C 0.946 176.415 175.510 -0.068 0.000 1.106 335 N CA 0.548 53.555 53.050 -0.072 0.000 0.892 335 N CB 0.112 38.542 38.487 -0.094 0.000 0.969 335 N HN 0.391 nan 8.380 nan 0.000 0.454 336 K N 0.794 121.161 120.400 -0.055 0.000 2.127 336 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 336 K C 0.927 177.537 176.600 0.016 0.000 1.047 336 K CA 1.221 57.483 56.287 -0.042 0.000 0.927 336 K CB -0.043 32.409 32.500 -0.080 0.000 0.716 336 K HN -0.035 nan 8.250 nan 0.000 0.450 337 E N 0.807 121.003 120.200 -0.007 0.000 2.209 337 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 337 E C 2.068 178.495 176.600 -0.288 0.000 0.993 337 E CA 1.115 57.508 56.400 -0.011 0.000 0.819 337 E CB -0.084 29.689 29.700 0.123 0.000 0.745 337 E HN 0.482 nan 8.360 nan 0.000 0.477 338 R N 0.383 120.662 120.500 -0.368 0.000 2.075 338 R HA -0.025 4.315 4.340 -0.000 0.000 0.220 338 R C 2.427 178.610 176.300 -0.195 0.000 1.118 338 R CA 1.287 57.017 56.100 -0.615 0.000 0.986 338 R CB 0.020 30.080 30.300 -0.400 0.000 0.884 338 R HN 0.096 nan 8.270 nan 0.000 0.439 339 S N 1.152 116.826 115.700 -0.043 0.000 2.399 339 S HA -0.168 4.302 4.470 -0.000 0.000 0.231 339 S C 1.870 176.478 174.600 0.014 0.000 1.022 339 S CA 1.133 59.374 58.200 0.069 0.000 0.983 339 S CB -0.462 62.848 63.200 0.184 0.000 0.803 339 S HN 0.364 nan 8.310 nan 0.000 0.480 340 L N 0.957 122.194 121.223 0.022 0.000 2.093 340 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 340 L C 2.218 179.006 176.870 -0.136 0.000 1.085 340 L CA 1.520 56.212 54.840 -0.246 0.000 0.755 340 L CB -1.072 40.977 42.059 -0.016 0.000 0.904 340 L HN 0.377 nan 8.230 nan 0.000 0.435 341 Y N 0.009 120.187 120.300 -0.204 0.000 2.200 341 Y HA -0.190 4.360 4.550 0.000 0.000 0.290 341 Y C 2.227 178.071 175.900 -0.094 0.000 1.137 341 Y CA 1.866 59.878 58.100 -0.148 0.000 1.163 341 Y CB -0.546 37.753 38.460 -0.268 0.000 0.988 341 Y HN 0.352 nan 8.280 nan 0.000 0.518 342 D N 0.307 120.613 120.400 -0.157 0.000 2.221 342 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 342 D C 2.025 178.190 176.300 -0.225 0.000 0.982 342 D CA 1.358 55.234 54.000 -0.208 0.000 0.857 342 D CB -0.230 40.566 40.800 -0.007 0.000 0.934 342 D HN 0.506 nan 8.370 nan 0.000 0.475 343 L N -0.420 120.680 121.223 -0.204 0.000 2.049 343 L HA -0.070 4.270 4.340 -0.000 0.000 0.203 343 L C 2.517 179.282 176.870 -0.175 0.000 1.074 343 L CA 1.602 56.334 54.840 -0.181 0.000 0.749 343 L CB -0.548 41.377 42.059 -0.224 0.000 0.907 343 L HN 0.190 nan 8.230 nan 0.000 0.439 344 T N -4.148 110.294 114.554 -0.187 0.000 3.081 344 T HA -0.080 4.270 4.350 -0.000 0.000 0.255 344 T C 0.683 175.291 174.700 -0.154 0.000 1.113 344 T CA -0.168 61.849 62.100 -0.139 0.000 1.082 344 T CB -0.367 68.444 68.868 -0.097 0.000 0.939 344 T HN 0.076 nan 8.240 nan 0.000 0.506 345 D N 2.961 123.204 120.400 -0.263 0.000 2.356 345 D HA 0.122 4.762 4.640 -0.000 0.000 0.272 345 D C 0.078 176.284 176.300 -0.157 0.000 1.337 345 D CA 0.079 53.914 54.000 -0.275 0.000 0.970 345 D CB 0.226 40.685 40.800 -0.569 0.000 1.092 345 D HN 0.659 nan 8.370 nan 0.000 0.516 346 K N 1.928 122.273 120.400 -0.091 0.000 2.340 346 K HA 0.358 4.678 4.320 -0.000 0.000 0.244 346 K C 0.611 177.186 176.600 -0.041 0.000 0.973 346 K CA -0.945 55.304 56.287 -0.064 0.000 0.828 346 K CB 1.482 33.949 32.500 -0.056 0.000 1.226 346 K HN 0.051 nan 8.250 nan 0.000 0.437 347 E N 0.506 120.683 120.200 -0.039 0.000 2.331 347 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 347 E C 0.473 177.060 176.600 -0.022 0.000 1.008 347 E CA 1.272 57.653 56.400 -0.033 0.000 0.843 347 E CB 0.152 29.828 29.700 -0.039 0.000 0.761 347 E HN 0.508 nan 8.360 nan 0.000 0.507 348 D N -0.444 119.944 120.400 -0.020 0.000 2.347 348 D HA -0.043 4.597 4.640 -0.000 0.000 0.213 348 D C 0.838 177.137 176.300 -0.001 0.000 0.985 348 D CA 0.451 54.444 54.000 -0.012 0.000 0.879 348 D CB -0.079 40.712 40.800 -0.015 0.000 0.919 348 D HN 0.364 nan 8.370 nan 0.000 0.526 349 N N 0.015 118.718 118.700 0.005 0.000 2.459 349 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 349 N C 0.386 175.913 175.510 0.029 0.000 1.046 349 N CA -0.017 53.045 53.050 0.022 0.000 0.904 349 N CB 0.466 38.974 38.487 0.036 0.000 0.964 349 N HN -0.105 nan 8.380 nan 0.000 0.444 350 V N 2.648 122.574 119.914 0.021 0.000 2.425 350 V HA -0.021 4.099 4.120 -0.000 0.000 0.276 350 V C 0.266 176.369 176.094 0.015 0.000 1.017 350 V CA 0.284 62.596 62.300 0.020 0.000 1.062 350 V CB 0.079 31.903 31.823 0.002 0.000 0.997 350 V HN 0.177 nan 8.190 nan 0.000 0.476 351 K N 7.412 127.824 120.400 0.019 0.000 2.227 351 K HA 0.303 4.623 4.320 -0.000 0.000 0.280 351 K C -1.833 174.772 176.600 0.008 0.000 1.041 351 K CA -1.589 54.708 56.287 0.017 0.000 0.905 351 K CB 1.321 33.834 32.500 0.022 0.000 1.068 351 K HN 0.301 nan 8.250 nan 0.000 0.470 352 P HA -0.175 nan 4.420 nan 0.000 0.226 352 P C 0.161 177.429 177.300 -0.054 0.000 1.153 352 P CA 1.089 64.185 63.100 -0.006 0.000 0.777 352 P CB 0.122 31.825 31.700 0.004 0.000 0.794 353 K N -1.952 118.428 120.400 -0.034 0.000 2.498 353 K HA 0.235 4.555 4.320 -0.000 0.000 0.207 353 K C -0.324 176.205 176.600 -0.118 0.000 1.033 353 K CA -0.243 55.992 56.287 -0.088 0.000 1.138 353 K CB -0.199 32.421 32.500 0.200 0.000 0.860 353 K HN -0.234 nan 8.250 nan 0.000 0.490 354 T N 2.201 116.696 114.554 -0.097 0.000 2.799 354 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 354 T C -0.384 174.251 174.700 -0.109 0.000 0.973 354 T CA -0.471 61.576 62.100 -0.088 0.000 1.035 354 T CB 0.768 69.616 68.868 -0.032 0.000 0.932 354 T HN 0.209 nan 8.240 nan 0.000 0.469 355 I N 3.279 123.787 120.570 -0.104 0.000 2.466 355 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 355 I C -0.282 175.848 176.117 0.022 0.000 1.026 355 I CA -1.402 59.877 61.300 -0.035 0.000 1.078 355 I CB 1.947 39.972 38.000 0.042 0.000 1.249 355 I HN 0.302 nan 8.210 nan 0.000 0.429 356 V N 2.479 122.265 119.914 -0.213 0.000 2.472 356 V HA 0.600 4.720 4.120 -0.000 0.000 0.290 356 V C -0.725 175.041 176.094 -0.546 0.000 1.037 356 V CA -0.622 61.455 62.300 -0.373 0.000 0.908 356 V CB 1.232 32.534 31.823 -0.869 0.000 0.985 356 V HN 0.485 nan 8.190 nan 0.000 0.454 357 F N 1.735 121.216 119.950 -0.782 0.000 2.520 357 F HA 0.757 5.284 4.527 -0.000 0.000 0.322 357 F C 0.180 175.300 175.800 -1.134 0.000 1.103 357 F CA -0.433 56.911 58.000 -1.094 0.000 0.926 357 F CB 2.120 39.950 39.000 -1.949 0.000 1.154 357 F HN 0.699 nan 8.300 nan 0.000 0.453 358 E N 1.365 121.198 120.200 -0.612 0.000 2.343 358 E HA 0.507 4.857 4.350 -0.000 0.000 0.278 358 E C -1.689 174.773 176.600 -0.230 0.000 0.910 358 E CA -0.662 55.505 56.400 -0.388 0.000 0.757 358 E CB 2.110 31.692 29.700 -0.198 0.000 1.218 358 E HN 0.567 nan 8.360 nan 0.000 0.435 359 S N 3.230 118.913 115.700 -0.028 0.000 2.521 359 S HA 0.471 4.941 4.470 -0.000 0.000 0.295 359 S C -0.390 174.249 174.600 0.065 0.000 1.098 359 S CA -0.384 57.793 58.200 -0.038 0.000 0.999 359 S CB 0.324 63.612 63.200 0.146 0.000 1.034 359 S HN 0.638 nan 8.310 nan 0.000 0.483 360 F N 1.990 121.959 119.950 0.032 0.000 3.048 360 F HA -0.131 4.396 4.527 -0.000 0.000 0.269 360 F C 1.555 177.370 175.800 0.026 0.000 0.960 360 F CA 1.279 59.289 58.000 0.017 0.000 0.909 360 F CB -1.748 37.273 39.000 0.035 0.000 0.837 360 F HN 1.470 nan 8.300 nan 0.000 0.768 361 G N -0.957 107.902 108.800 0.099 0.000 2.221 361 G HA2 0.199 4.159 3.960 -0.000 0.000 0.265 361 G HA3 0.199 4.159 3.960 -0.000 0.000 0.265 361 G C 1.181 176.126 174.900 0.075 0.000 1.041 361 G CA 0.898 46.035 45.100 0.062 0.000 0.807 361 G HN 2.296 nan 8.290 nan 0.000 0.502 362 G N -0.455 108.404 108.800 0.098 0.000 2.212 362 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.255 362 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.255 362 G C 0.807 175.846 174.900 0.231 0.000 1.062 362 G CA 1.266 46.431 45.100 0.109 0.000 0.815 362 G HN 1.936 nan 8.290 nan 0.000 0.497 363 K N -1.583 118.972 120.400 0.258 0.000 2.353 363 K HA 0.316 4.636 4.320 -0.000 0.000 0.195 363 K C 0.510 177.284 176.600 0.290 0.000 1.031 363 K CA 0.076 56.499 56.287 0.225 0.000 1.079 363 K CB 0.524 33.109 32.500 0.141 0.000 0.857 363 K HN 0.205 nan 8.250 nan 0.000 0.535 364 N N 0.003 118.958 118.700 0.425 0.000 2.484 364 N HA 0.129 4.869 4.740 -0.000 0.000 0.269 364 N C -2.281 173.610 175.510 0.636 0.000 1.237 364 N CA -0.696 52.611 53.050 0.430 0.000 0.838 364 N CB 1.516 40.227 38.487 0.374 0.000 1.593 364 N HN 0.137 nan 8.380 nan 0.000 0.485 365 Y N 1.808 122.315 120.300 0.344 0.000 2.717 365 Y HA 0.554 5.104 4.550 0.000 0.000 0.329 365 Y C -0.455 175.498 175.900 0.089 0.000 1.017 365 Y CA -0.408 57.746 58.100 0.090 0.000 1.275 365 Y CB -0.250 38.087 38.460 -0.206 0.000 1.109 365 Y HN 0.525 nan 8.280 nan 0.000 0.511 366 S N 2.620 118.328 115.700 0.013 0.000 2.672 366 S HA 0.644 5.114 4.470 -0.000 0.000 0.271 366 S C -0.786 173.940 174.600 0.209 0.000 1.171 366 S CA -0.440 57.800 58.200 0.068 0.000 0.817 366 S CB 1.739 65.088 63.200 0.249 0.000 1.150 366 S HN 0.712 nan 8.310 nan 0.000 0.478 367 D N -0.013 120.565 120.400 0.296 0.000 4.121 367 D HA -0.185 4.455 4.640 -0.000 0.000 0.291 367 D C 1.055 177.550 176.300 0.326 0.000 2.247 367 D CA 1.425 55.603 54.000 0.297 0.000 1.125 367 D CB -1.000 39.922 40.800 0.202 0.000 1.032 367 D HN 0.578 nan 8.370 nan 0.000 1.224 368 S N -0.507 115.322 115.700 0.215 0.000 2.383 368 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 368 S C -1.320 173.489 174.600 0.349 0.000 1.030 368 S CA 1.688 60.053 58.200 0.276 0.000 1.002 368 S CB -0.590 62.734 63.200 0.207 0.000 0.829 368 S HN 0.418 nan 8.310 nan 0.000 0.467 369 P HA -0.103 nan 4.420 nan 0.000 0.220 369 P C 1.310 179.034 177.300 0.707 0.000 1.148 369 P CA 1.006 64.378 63.100 0.453 0.000 0.803 369 P CB 0.032 31.875 31.700 0.239 0.000 0.782 370 K N -1.104 119.613 120.400 0.529 0.000 2.062 370 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 370 K C 1.661 178.372 176.600 0.185 0.000 1.051 370 K CA 1.340 57.748 56.287 0.203 0.000 0.941 370 K CB -0.467 31.778 32.500 -0.424 0.000 0.719 370 K HN 0.073 nan 8.250 nan 0.000 0.440 371 Y N 0.732 121.178 120.300 0.244 0.000 2.395 371 Y HA 0.019 4.569 4.550 -0.000 0.000 0.293 371 Y C 1.950 178.026 175.900 0.293 0.000 1.123 371 Y CA 0.738 58.975 58.100 0.229 0.000 1.227 371 Y CB 0.092 38.666 38.460 0.190 0.000 1.012 371 Y HN 0.001 nan 8.280 nan 0.000 0.552 372 I N -1.377 119.490 120.570 0.496 0.000 2.315 372 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 372 I C 2.167 178.615 176.117 0.551 0.000 1.117 372 I CA 1.335 62.928 61.300 0.488 0.000 1.404 372 I CB -0.337 37.965 38.000 0.504 0.000 1.071 372 I HN 0.211 nan 8.210 nan 0.000 0.419 373 Y N 1.855 122.388 120.300 0.389 0.000 2.200 373 Y HA -0.208 4.342 4.550 0.000 0.000 0.290 373 Y C 2.320 178.253 175.900 0.056 0.000 1.137 373 Y CA 1.587 59.734 58.100 0.078 0.000 1.163 373 Y CB -0.222 38.215 38.460 -0.038 0.000 0.988 373 Y HN 0.141 nan 8.280 nan 0.000 0.518 374 E N -1.299 118.879 120.200 -0.036 0.000 2.204 374 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 374 E C 1.692 178.259 176.600 -0.055 0.000 0.989 374 E CA 1.054 57.340 56.400 -0.189 0.000 0.824 374 E CB -0.327 29.318 29.700 -0.092 0.000 0.756 374 E HN 0.680 nan 8.360 nan 0.000 0.477 375 Y N 0.538 120.858 120.300 0.033 0.000 2.220 375 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 375 Y C 1.994 177.998 175.900 0.174 0.000 1.129 375 Y CA 1.366 59.543 58.100 0.128 0.000 1.161 375 Y CB 0.119 38.667 38.460 0.147 0.000 0.997 375 Y HN -0.061 nan 8.280 nan 0.000 0.522 376 M N -0.321 119.457 119.600 0.297 0.000 2.319 376 M HA -0.185 4.295 4.480 -0.000 0.000 0.265 376 M C 2.051 178.360 176.300 0.015 0.000 1.068 376 M CA 0.985 56.504 55.300 0.365 0.000 1.118 376 M CB -0.209 32.729 32.600 0.563 0.000 1.395 376 M HN 0.291 nan 8.290 nan 0.000 0.435 377 Q N 0.763 120.328 119.800 -0.392 0.000 2.061 377 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 377 Q C 1.961 177.801 176.000 -0.266 0.000 0.984 377 Q CA 1.645 57.169 55.803 -0.465 0.000 0.846 377 Q CB -0.420 27.921 28.738 -0.661 0.000 0.902 377 Q HN 0.513 nan 8.270 nan 0.000 0.421 378 K N -0.353 119.892 120.400 -0.259 0.000 2.032 378 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 378 K C 1.457 177.755 176.600 -0.503 0.000 1.048 378 K CA 1.504 57.576 56.287 -0.358 0.000 0.927 378 K CB -0.041 32.247 32.500 -0.354 0.000 0.712 378 K HN 0.201 nan 8.250 nan 0.000 0.441 379 Y N -2.196 117.792 120.300 -0.521 0.000 2.467 379 Y HA 0.119 4.669 4.550 -0.000 0.000 0.250 379 Y C -0.217 175.101 175.900 -0.970 0.000 1.155 379 Y CA -0.498 57.141 58.100 -0.768 0.000 1.249 379 Y CB 0.825 38.656 38.460 -1.048 0.000 1.146 379 Y HN 0.002 nan 8.280 nan 0.000 0.524 380 Y N -1.575 118.734 120.300 0.015 0.000 2.712 380 Y HA 0.311 4.861 4.550 0.000 0.000 0.287 380 Y C -2.286 173.654 175.900 0.067 0.000 0.944 380 Y CA -2.822 55.286 58.100 0.014 0.000 1.122 380 Y CB 0.241 38.848 38.460 0.245 0.000 1.182 380 Y HN -0.040 nan 8.280 nan 0.000 0.632 381 P HA -0.107 nan 4.420 nan 0.000 0.221 381 P C 0.607 178.006 177.300 0.164 0.000 1.145 381 P CA 1.494 64.650 63.100 0.094 0.000 0.795 381 P CB 0.345 32.028 31.700 -0.028 0.000 0.775 382 N N -1.583 117.117 118.700 -0.001 0.000 2.346 382 N HA 0.066 4.806 4.740 -0.000 0.000 0.225 382 N C -0.183 175.282 175.510 -0.075 0.000 1.144 382 N CA 0.110 53.130 53.050 -0.051 0.000 0.837 382 N CB -0.223 38.202 38.487 -0.104 0.000 1.069 382 N HN 0.339 nan 8.380 nan 0.000 0.487 383 Y N 0.157 120.526 120.300 0.114 0.000 2.496 383 Y HA 0.358 4.908 4.550 -0.000 0.000 0.331 383 Y C 0.948 176.709 175.900 -0.231 0.000 1.140 383 Y CA -1.290 56.722 58.100 -0.148 0.000 1.166 383 Y CB 1.619 39.827 38.460 -0.420 0.000 1.249 383 Y HN -0.293 nan 8.280 nan 0.000 0.479 384 R N 1.888 122.377 120.500 -0.018 0.000 2.288 384 R HA 0.151 4.491 4.340 -0.000 0.000 0.330 384 R C -1.893 174.338 176.300 -0.116 0.000 1.069 384 R CA -0.010 56.085 56.100 -0.007 0.000 0.941 384 R CB -0.080 30.234 30.300 0.023 0.000 0.998 384 R HN 0.508 nan 8.270 nan 0.000 0.452 385 Y N 5.112 125.563 120.300 0.251 0.000 2.353 385 Y HA 0.348 4.898 4.550 0.000 0.000 0.340 385 Y C 0.225 176.244 175.900 0.199 0.000 0.972 385 Y CA -0.567 57.708 58.100 0.292 0.000 1.157 385 Y CB 1.019 39.738 38.460 0.433 0.000 1.157 385 Y HN 0.352 nan 8.280 nan 0.000 0.495 386 I N 2.942 123.674 120.570 0.271 0.000 2.433 386 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 386 I C -1.026 175.147 176.117 0.092 0.000 1.001 386 I CA -0.727 60.660 61.300 0.145 0.000 1.119 386 I CB 1.403 39.401 38.000 -0.003 0.000 1.289 386 I HN 0.517 nan 8.210 nan 0.000 0.438 387 W N 4.109 125.378 121.300 -0.051 0.000 2.606 387 W HA 0.489 5.149 4.660 -0.000 0.000 0.332 387 W C 0.243 176.604 176.519 -0.264 0.000 1.052 387 W CA -0.422 56.815 57.345 -0.179 0.000 1.223 387 W CB 1.961 31.296 29.460 -0.209 0.000 1.383 387 W HN 0.254 nan 8.180 nan 0.000 0.524 388 S N 3.273 118.794 115.700 -0.299 0.000 2.433 388 S HA 0.755 5.225 4.470 -0.000 0.000 0.310 388 S C -1.258 173.126 174.600 -0.361 0.000 1.097 388 S CA -0.397 57.713 58.200 -0.150 0.000 1.103 388 S CB -0.069 63.138 63.200 0.012 0.000 0.992 388 S HN 0.240 nan 8.310 nan 0.000 0.469 389 F N 2.545 122.587 119.950 0.154 0.000 2.599 389 F HA 0.509 5.036 4.527 -0.000 0.000 0.311 389 F C 1.088 176.897 175.800 0.015 0.000 1.076 389 F CA -0.954 57.110 58.000 0.106 0.000 0.937 389 F CB 1.704 40.763 39.000 0.097 0.000 1.282 389 F HN 0.459 nan 8.300 nan 0.000 0.460 390 K N 0.219 120.746 120.400 0.212 0.000 2.057 390 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 390 K C -0.111 176.529 176.600 0.066 0.000 1.050 390 K CA 1.162 57.496 56.287 0.077 0.000 0.935 390 K CB 0.026 32.559 32.500 0.056 0.000 0.715 390 K HN 0.366 nan 8.250 nan 0.000 0.439 391 N N 0.255 119.008 118.700 0.089 0.000 2.791 391 N HA 0.155 4.895 4.740 -0.000 0.000 0.265 391 N C -2.447 173.040 175.510 -0.039 0.000 1.580 391 N CA -1.272 51.786 53.050 0.014 0.000 0.809 391 N CB 1.437 39.910 38.487 -0.023 0.000 1.178 391 N HN -0.130 nan 8.380 nan 0.000 0.499 392 P HA -0.146 nan 4.420 nan 0.000 0.217 392 P C 0.622 177.783 177.300 -0.232 0.000 1.151 392 P CA 1.322 64.353 63.100 -0.115 0.000 0.849 392 P CB 0.398 32.137 31.700 0.066 0.000 0.787 393 D N -1.050 119.272 120.400 -0.129 0.000 2.378 393 D HA -0.052 4.588 4.640 -0.000 0.000 0.227 393 D C 0.841 177.053 176.300 -0.147 0.000 1.012 393 D CA 0.789 54.714 54.000 -0.125 0.000 0.905 393 D CB -0.038 40.719 40.800 -0.072 0.000 0.895 393 D HN 0.332 nan 8.370 nan 0.000 0.532 394 K N 0.629 120.924 120.400 -0.176 0.000 2.593 394 K HA 0.175 4.495 4.320 -0.000 0.000 0.208 394 K C -0.150 176.311 176.600 -0.232 0.000 1.051 394 K CA -0.175 56.015 56.287 -0.162 0.000 1.111 394 K CB 0.734 33.167 32.500 -0.111 0.000 0.849 394 K HN -0.077 nan 8.250 nan 0.000 0.479 395 N N 0.788 119.266 118.700 -0.369 0.000 2.371 395 N HA 0.191 4.931 4.740 -0.000 0.000 0.291 395 N C -1.355 173.867 175.510 -0.480 0.000 1.053 395 N CA -0.396 52.347 53.050 -0.511 0.000 0.870 395 N CB 2.729 40.551 38.487 -1.107 0.000 1.503 395 N HN -0.215 nan 8.380 nan 0.000 0.485 396 V N 2.586 122.289 119.914 -0.352 0.000 2.350 396 V HA 0.374 4.494 4.120 -0.000 0.000 0.276 396 V C 0.131 175.943 176.094 -0.469 0.000 1.028 396 V CA -0.608 61.500 62.300 -0.320 0.000 0.860 396 V CB 1.373 33.074 31.823 -0.205 0.000 0.990 396 V HN 0.294 nan 8.190 nan 0.000 0.453 397 V N 7.099 126.687 119.914 -0.542 0.000 2.448 397 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 397 V C -2.153 173.659 176.094 -0.469 0.000 1.025 397 V CA -1.698 60.102 62.300 -0.832 0.000 0.859 397 V CB 1.816 33.084 31.823 -0.924 0.000 0.988 397 V HN 0.778 nan 8.190 nan 0.000 0.431 398 P HA 0.592 nan 4.420 nan 0.000 0.276 398 P C 0.378 177.648 177.300 -0.050 0.000 1.230 398 P CA 0.775 63.784 63.100 -0.151 0.000 0.776 398 P CB 0.880 32.531 31.700 -0.081 0.000 0.888 399 G N 1.618 110.392 108.800 -0.042 0.000 2.428 399 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.202 399 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.202 399 G C 0.681 175.614 174.900 0.055 0.000 1.247 399 G CA -0.012 45.086 45.100 -0.002 0.000 1.020 399 G HN 0.637 nan 8.290 nan 0.000 0.529 400 S N -0.037 115.726 115.700 0.105 0.000 2.603 400 S HA 0.558 5.028 4.470 -0.000 0.000 0.220 400 S C 1.238 175.980 174.600 0.236 0.000 0.967 400 S CA 1.445 59.739 58.200 0.157 0.000 0.920 400 S CB -0.047 63.274 63.200 0.201 0.000 0.773 400 S HN 2.218 nan 8.310 nan 0.000 0.529 401 A N 2.038 125.015 122.820 0.261 0.000 2.425 401 A HA 0.504 4.824 4.320 -0.000 0.000 0.249 401 A C 0.303 177.968 177.584 0.135 0.000 1.084 401 A CA -0.692 51.493 52.037 0.247 0.000 0.781 401 A CB 0.172 19.226 19.000 0.090 0.000 1.019 401 A HN 0.710 nan 8.150 nan 0.000 0.490 402 E N 1.613 121.907 120.200 0.158 0.000 2.221 402 E HA 0.635 4.985 4.350 -0.000 0.000 0.268 402 E C -0.976 175.720 176.600 0.159 0.000 0.933 402 E CA -1.074 55.397 56.400 0.118 0.000 0.809 402 E CB 1.408 31.169 29.700 0.103 0.000 1.190 402 E HN 0.583 nan 8.360 nan 0.000 0.406 403 K N 0.595 121.090 120.400 0.159 0.000 2.267 403 K HA 0.645 4.965 4.320 -0.000 0.000 0.246 403 K C -0.610 176.116 176.600 0.209 0.000 0.954 403 K CA -1.151 55.292 56.287 0.260 0.000 0.824 403 K CB 2.132 34.859 32.500 0.379 0.000 1.167 403 K HN 0.478 nan 8.250 nan 0.000 0.431 404 V N -1.919 118.141 119.914 0.243 0.000 2.823 404 V HA 0.485 4.605 4.120 -0.000 0.000 0.312 404 V C -0.701 175.512 176.094 0.199 0.000 1.072 404 V CA -1.070 61.343 62.300 0.189 0.000 0.937 404 V CB 1.760 33.685 31.823 0.170 0.000 1.013 404 V HN 0.835 nan 8.190 nan 0.000 0.430 405 K N 2.953 123.424 120.400 0.120 0.000 2.249 405 K HA 0.381 4.701 4.320 -0.000 0.000 0.280 405 K C 0.307 176.826 176.600 -0.135 0.000 1.033 405 K CA -0.567 55.743 56.287 0.038 0.000 0.946 405 K CB 0.760 33.269 32.500 0.015 0.000 1.005 405 K HN 0.878 nan 8.250 nan 0.000 0.469 406 R N 2.985 123.301 120.500 -0.307 0.000 2.570 406 R HA -0.096 4.244 4.340 -0.000 0.000 0.277 406 R C -0.187 175.631 176.300 -0.804 0.000 1.039 406 R CA 0.675 56.215 56.100 -0.935 0.000 1.065 406 R CB 0.142 30.080 30.300 -0.603 0.000 0.964 406 R HN 0.882 nan 8.270 nan 0.000 0.428 407 N N -0.150 117.817 118.700 -1.222 0.000 2.984 407 N HA -0.196 4.544 4.740 -0.000 0.000 0.227 407 N C -0.447 175.078 175.510 0.024 0.000 0.903 407 N CA 1.453 54.275 53.050 -0.380 0.000 0.995 407 N CB -1.348 37.030 38.487 -0.181 0.000 1.065 407 N HN 0.680 nan 8.380 nan 0.000 0.585 408 S N -0.773 114.906 115.700 -0.035 0.000 2.707 408 S HA 0.783 5.253 4.470 -0.000 0.000 0.276 408 S C 1.628 176.397 174.600 0.282 0.000 1.179 408 S CA 0.077 58.353 58.200 0.127 0.000 0.992 408 S CB 1.981 65.223 63.200 0.070 0.000 1.030 408 S HN 0.297 nan 8.310 nan 0.000 0.554 409 A N 1.010 123.971 122.820 0.234 0.000 1.849 409 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 409 A C 1.975 179.708 177.584 0.249 0.000 1.202 409 A CA 2.104 54.293 52.037 0.254 0.000 0.629 409 A CB -1.769 17.328 19.000 0.162 0.000 0.834 409 A HN 0.943 nan 8.150 nan 0.000 0.447 410 E N -1.637 118.667 120.200 0.173 0.000 2.219 410 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 410 E C 1.676 178.357 176.600 0.135 0.000 0.998 410 E CA 1.477 57.961 56.400 0.139 0.000 0.818 410 E CB -0.404 29.363 29.700 0.111 0.000 0.741 410 E HN 0.783 nan 8.360 nan 0.000 0.477 411 Y N -0.444 119.840 120.300 -0.027 0.000 2.133 411 Y HA -0.275 4.275 4.550 -0.000 0.000 0.287 411 Y C 1.548 177.344 175.900 -0.173 0.000 1.134 411 Y CA 1.614 59.620 58.100 -0.156 0.000 1.133 411 Y CB -0.358 37.887 38.460 -0.360 0.000 0.987 411 Y HN 0.067 nan 8.280 nan 0.000 0.502 412 Y N 0.478 120.798 120.300 0.033 0.000 2.293 412 Y HA -0.215 4.335 4.550 0.000 0.000 0.291 412 Y C 2.628 178.572 175.900 0.073 0.000 1.137 412 Y CA 1.606 59.613 58.100 -0.155 0.000 1.202 412 Y CB -0.756 37.595 38.460 -0.181 0.000 0.990 412 Y HN 0.218 nan 8.280 nan 0.000 0.537 413 Q N -0.032 119.904 119.800 0.228 0.000 2.002 413 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 413 Q C 2.655 178.704 176.000 0.082 0.000 0.988 413 Q CA 1.676 57.581 55.803 0.169 0.000 0.843 413 Q CB -0.478 28.334 28.738 0.123 0.000 0.908 413 Q HN 0.527 nan 8.270 nan 0.000 0.420 414 A N 0.145 122.951 122.820 -0.022 0.000 1.884 414 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 414 A C 1.833 179.272 177.584 -0.241 0.000 1.197 414 A CA 1.796 53.738 52.037 -0.158 0.000 0.637 414 A CB -1.117 17.722 19.000 -0.268 0.000 0.827 414 A HN 0.473 nan 8.150 nan 0.000 0.450 415 Y N -0.421 119.716 120.300 -0.273 0.000 2.352 415 Y HA -0.077 4.473 4.550 -0.000 0.000 0.292 415 Y C 3.103 179.089 175.900 0.144 0.000 1.136 415 Y CA 1.289 59.221 58.100 -0.281 0.000 1.227 415 Y CB -0.169 37.879 38.460 -0.686 0.000 0.991 415 Y HN 0.378 nan 8.280 nan 0.000 0.545 416 S N -0.310 115.585 115.700 0.326 0.000 2.377 416 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 416 S C 1.837 176.550 174.600 0.187 0.000 1.030 416 S CA 1.213 59.608 58.200 0.325 0.000 0.970 416 S CB -0.094 63.296 63.200 0.317 0.000 0.830 416 S HN 0.522 nan 8.310 nan 0.000 0.473 417 E N 1.190 121.465 120.200 0.124 0.000 2.106 417 E HA 0.096 4.446 4.350 -0.000 0.000 0.192 417 E C 0.908 177.546 176.600 0.063 0.000 0.984 417 E CA 0.533 56.977 56.400 0.072 0.000 0.806 417 E CB -0.192 29.535 29.700 0.044 0.000 0.750 417 E HN 0.557 nan 8.360 nan 0.000 0.458 418 A N 1.424 124.290 122.820 0.077 0.000 2.498 418 A HA 0.047 4.367 4.320 -0.000 0.000 0.239 418 A C 1.335 178.965 177.584 0.076 0.000 1.068 418 A CA 0.390 52.469 52.037 0.070 0.000 0.766 418 A CB 0.345 19.381 19.000 0.060 0.000 1.003 418 A HN 0.235 nan 8.150 nan 0.000 0.497 419 S N 1.181 116.915 115.700 0.057 0.000 2.478 419 S HA 0.098 4.568 4.470 -0.000 0.000 0.222 419 S C 0.359 174.975 174.600 0.028 0.000 1.008 419 S CA 0.765 59.003 58.200 0.064 0.000 0.928 419 S CB -0.213 63.074 63.200 0.144 0.000 0.781 419 S HN 0.790 nan 8.310 nan 0.000 0.518 420 H N -0.614 118.406 119.070 -0.084 0.000 2.759 420 H HA 0.514 5.070 4.556 -0.000 0.000 0.354 420 H C -1.640 173.727 175.328 0.066 0.000 1.074 420 H CA -0.821 55.181 56.048 -0.075 0.000 1.226 420 H CB 0.616 30.305 29.762 -0.121 0.000 1.648 420 H HN 0.222 nan 8.280 nan 0.000 0.529 421 W N 3.305 124.505 121.300 -0.167 0.000 2.429 421 W HA 0.549 5.209 4.660 -0.000 0.000 0.314 421 W C -0.718 175.668 176.519 -0.222 0.000 1.062 421 W CA -0.767 56.406 57.345 -0.287 0.000 1.211 421 W CB 1.004 30.217 29.460 -0.412 0.000 1.305 421 W HN 0.218 nan 8.180 nan 0.000 0.476 422 V N 4.131 123.895 119.914 -0.250 0.000 2.409 422 V HA 0.680 4.800 4.120 -0.000 0.000 0.291 422 V C -0.047 175.916 176.094 -0.218 0.000 1.020 422 V CA -0.604 61.530 62.300 -0.278 0.000 0.848 422 V CB 1.176 32.585 31.823 -0.690 0.000 0.990 422 V HN 0.552 nan 8.190 nan 0.000 0.430 423 S N 2.902 118.579 115.700 -0.040 0.000 2.611 423 S HA 0.431 4.901 4.470 -0.000 0.000 0.268 423 S C -0.447 174.095 174.600 -0.096 0.000 1.156 423 S CA -0.579 57.572 58.200 -0.082 0.000 0.817 423 S CB 1.882 65.034 63.200 -0.080 0.000 1.122 423 S HN 0.699 nan 8.310 nan 0.000 0.466 424 N N 0.338 118.913 118.700 -0.207 0.000 2.275 424 N HA 0.567 5.307 4.740 -0.000 0.000 0.236 424 N C -0.207 175.079 175.510 -0.373 0.000 1.154 424 N CA 0.150 53.018 53.050 -0.303 0.000 0.866 424 N CB 0.807 38.996 38.487 -0.496 0.000 1.093 424 N HN 1.044 nan 8.380 nan 0.000 0.515 425 A N -0.011 122.711 122.820 -0.163 0.000 2.599 425 A HA 0.618 4.938 4.320 -0.000 0.000 0.290 425 A C -0.962 176.751 177.584 0.215 0.000 1.101 425 A CA -0.950 51.065 52.037 -0.037 0.000 0.674 425 A CB 0.976 19.920 19.000 -0.093 0.000 1.277 425 A HN 0.130 nan 8.150 nan 0.000 0.419 426 R N 0.821 121.525 120.500 0.340 0.000 2.538 426 R HA 0.333 4.673 4.340 -0.000 0.000 0.282 426 R C 0.347 176.748 176.300 0.167 0.000 1.009 426 R CA 1.011 57.299 56.100 0.314 0.000 1.063 426 R CB 0.191 30.544 30.300 0.089 0.000 0.945 426 R HN 0.798 nan 8.270 nan 0.000 0.414 427 T N 1.410 116.091 114.554 0.213 0.000 2.907 427 T HA 0.435 4.785 4.350 -0.000 0.000 0.284 427 T C -2.310 172.311 174.700 -0.131 0.000 1.004 427 T CA -2.392 59.679 62.100 -0.048 0.000 1.063 427 T CB 1.697 70.420 68.868 -0.242 0.000 0.992 427 T HN 0.221 nan 8.240 nan 0.000 0.483 428 P HA 0.139 nan 4.420 nan 0.000 0.268 428 P C 0.803 177.847 177.300 -0.428 0.000 1.208 428 P CA -0.312 62.507 63.100 -0.469 0.000 0.777 428 P CB 0.450 31.584 31.700 -0.942 0.000 0.875 429 L N 1.378 122.420 121.223 -0.303 0.000 2.240 429 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 429 L C 2.041 178.877 176.870 -0.057 0.000 1.106 429 L CA 1.049 55.813 54.840 -0.126 0.000 0.793 429 L CB -0.745 41.283 42.059 -0.051 0.000 0.927 429 L HN 0.507 nan 8.230 nan 0.000 0.446 430 Y N -0.892 119.439 120.300 0.051 0.000 2.574 430 Y HA 0.048 4.598 4.550 0.000 0.000 0.294 430 Y C 0.907 176.902 175.900 0.160 0.000 1.142 430 Y CA -0.319 57.838 58.100 0.095 0.000 1.314 430 Y CB -1.135 37.378 38.460 0.089 0.000 0.991 430 Y HN -0.018 nan 8.280 nan 0.000 0.555 431 L N 2.799 123.998 121.223 -0.039 0.000 2.360 431 L HA 0.132 4.472 4.340 -0.000 0.000 0.276 431 L C -0.348 176.695 176.870 0.288 0.000 1.121 431 L CA -0.058 54.817 54.840 0.059 0.000 0.845 431 L CB 0.299 42.116 42.059 -0.404 0.000 1.143 431 L HN 0.223 nan 8.230 nan 0.000 0.452 432 N N 4.451 123.437 118.700 0.476 0.000 2.406 432 N HA 0.087 4.827 4.740 -0.000 0.000 0.251 432 N C -0.308 175.403 175.510 0.335 0.000 1.069 432 N CA -0.068 53.178 53.050 0.327 0.000 0.947 432 N CB 1.172 39.775 38.487 0.195 0.000 1.111 432 N HN 0.380 nan 8.380 nan 0.000 0.497 433 K N 3.218 123.720 120.400 0.170 0.000 2.206 433 K HA 0.120 4.440 4.320 -0.000 0.000 0.268 433 K C -0.198 176.301 176.600 -0.167 0.000 1.111 433 K CA -0.311 55.862 56.287 -0.190 0.000 0.955 433 K CB 0.348 32.660 32.500 -0.312 0.000 1.406 433 K HN 0.371 nan 8.250 nan 0.000 0.427 434 K N 1.535 121.846 120.400 -0.148 0.000 2.149 434 K HA -0.008 4.312 4.320 -0.000 0.000 0.245 434 K C 0.976 177.481 176.600 -0.159 0.000 1.024 434 K CA -0.371 55.847 56.287 -0.115 0.000 0.899 434 K CB 0.611 33.067 32.500 -0.074 0.000 1.038 434 K HN 0.336 nan 8.250 nan 0.000 0.496 435 E N 1.004 121.132 120.200 -0.120 0.000 2.160 435 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 435 E C 1.475 177.994 176.600 -0.135 0.000 0.991 435 E CA 1.265 57.592 56.400 -0.122 0.000 0.810 435 E CB -0.076 29.570 29.700 -0.090 0.000 0.742 435 E HN 0.502 nan 8.360 nan 0.000 0.466 436 N N 0.177 118.804 118.700 -0.121 0.000 2.132 436 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 436 N C -0.189 175.223 175.510 -0.163 0.000 1.015 436 N CA 1.014 53.995 53.050 -0.115 0.000 0.864 436 N CB 0.093 38.527 38.487 -0.088 0.000 1.006 436 N HN 0.291 nan 8.380 nan 0.000 0.430 437 Q N -1.056 118.597 119.800 -0.245 0.000 2.266 437 Q HA 0.385 4.725 4.340 -0.000 0.000 0.261 437 Q C -0.843 174.881 176.000 -0.460 0.000 0.985 437 Q CA -0.384 55.199 55.803 -0.367 0.000 0.873 437 Q CB 1.780 30.223 28.738 -0.492 0.000 1.306 437 Q HN -0.079 nan 8.270 nan 0.000 0.447 438 T N 2.253 116.457 114.554 -0.583 0.000 2.743 438 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 438 T C -1.423 173.054 174.700 -0.372 0.000 0.972 438 T CA -0.304 61.474 62.100 -0.537 0.000 0.967 438 T CB 0.071 68.514 68.868 -0.709 0.000 0.926 438 T HN 0.293 nan 8.240 nan 0.000 0.459 439 Y N 5.394 125.475 120.300 -0.365 0.000 2.385 439 Y HA 0.524 5.074 4.550 0.000 0.000 0.341 439 Y C -0.750 175.131 175.900 -0.032 0.000 0.965 439 Y CA -2.175 55.828 58.100 -0.163 0.000 1.180 439 Y CB -0.051 38.325 38.460 -0.141 0.000 1.139 439 Y HN 0.531 nan 8.280 nan 0.000 0.502 440 I N 6.153 126.918 120.570 0.325 0.000 2.321 440 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 440 I C -0.524 175.575 176.117 -0.029 0.000 0.998 440 I CA -0.722 60.659 61.300 0.135 0.000 1.227 440 I CB 1.470 39.559 38.000 0.149 0.000 1.368 440 I HN 0.464 nan 8.210 nan 0.000 0.466 441 Q N 4.135 123.749 119.800 -0.310 0.000 2.347 441 Q HA 0.262 4.602 4.340 -0.000 0.000 0.262 441 Q C 0.675 176.530 176.000 -0.241 0.000 0.980 441 Q CA -0.432 55.042 55.803 -0.548 0.000 0.867 441 Q CB 1.495 29.319 28.738 -1.525 0.000 1.242 441 Q HN 0.772 nan 8.270 nan 0.000 0.453 442 T N 1.349 115.856 114.554 -0.078 0.000 3.035 442 T HA 0.023 4.373 4.350 -0.000 0.000 0.259 442 T C 0.704 175.573 174.700 0.282 0.000 1.078 442 T CA 0.099 62.272 62.100 0.122 0.000 1.132 442 T CB -0.400 68.552 68.868 0.139 0.000 0.900 442 T HN 0.705 nan 8.240 nan 0.000 0.480 443 W N 2.989 124.195 121.300 -0.157 0.000 3.025 443 W HA -0.336 4.324 4.660 -0.000 0.000 0.178 443 W C -0.499 176.021 176.519 0.002 0.000 0.635 443 W CA 1.170 58.469 57.345 -0.077 0.000 0.468 443 W CB -0.941 28.514 29.460 -0.009 0.000 2.731 443 W HN 0.580 nan 8.180 nan 0.000 0.408 444 N N 1.271 119.620 118.700 -0.586 0.000 2.240 444 N HA 0.516 5.256 4.740 -0.000 0.000 0.240 444 N C -0.205 175.174 175.510 -0.219 0.000 1.277 444 N CA 0.519 53.291 53.050 -0.462 0.000 0.873 444 N CB 1.112 39.320 38.487 -0.466 0.000 1.222 444 N HN 0.921 nan 8.380 nan 0.000 0.507 445 G N -1.009 107.865 108.800 0.123 0.000 2.352 445 G HA2 0.156 4.116 3.960 -0.000 0.000 0.303 445 G HA3 0.156 4.116 3.960 -0.000 0.000 0.303 445 G C -1.199 174.127 174.900 0.710 0.000 1.593 445 G CA -0.987 44.320 45.100 0.345 0.000 0.963 445 G HN -0.034 nan 8.290 nan 0.000 0.685 446 T N 3.608 118.528 114.554 0.611 0.000 2.831 446 T HA 0.382 4.732 4.350 -0.000 0.000 0.291 446 T C -1.996 172.920 174.700 0.361 0.000 0.981 446 T CA 0.391 62.671 62.100 0.300 0.000 1.174 446 T CB 0.665 69.422 68.868 -0.186 0.000 0.929 446 T HN 0.387 nan 8.240 nan 0.000 0.532 447 P HA 0.296 nan 4.420 nan 0.000 0.279 447 P C 0.258 177.876 177.300 0.530 0.000 1.239 447 P CA -0.578 62.808 63.100 0.478 0.000 0.789 447 P CB 1.023 33.009 31.700 0.476 0.000 0.933 448 L N 2.151 123.634 121.223 0.434 0.000 2.600 448 L HA 0.363 4.703 4.340 -0.000 0.000 0.213 448 L C 0.248 177.059 176.870 -0.099 0.000 1.045 448 L CA 1.108 56.080 54.840 0.220 0.000 0.863 448 L CB -0.019 42.072 42.059 0.053 0.000 1.189 448 L HN 0.087 nan 8.230 nan 0.000 0.484 449 K N 1.472 121.870 120.400 -0.003 0.000 2.174 449 K HA 0.344 4.664 4.320 -0.000 0.000 0.275 449 K C -0.501 176.026 176.600 -0.122 0.000 1.015 449 K CA -0.515 55.772 56.287 0.000 0.000 0.933 449 K CB 0.816 33.400 32.500 0.139 0.000 1.025 449 K HN 0.091 nan 8.250 nan 0.000 0.463 450 R N 2.394 122.684 120.500 -0.350 0.000 2.538 450 R HA 0.040 4.380 4.340 -0.000 0.000 0.282 450 R C -0.244 176.038 176.300 -0.029 0.000 1.009 450 R CA -0.213 55.647 56.100 -0.400 0.000 1.063 450 R CB -0.351 29.753 30.300 -0.327 0.000 0.945 450 R HN 0.285 nan 8.270 nan 0.000 0.414 451 L N 0.442 121.702 121.223 0.061 0.000 2.283 451 L HA 0.826 5.166 4.340 -0.000 0.000 0.259 451 L C 0.830 177.630 176.870 -0.116 0.000 1.027 451 L CA -1.044 53.836 54.840 0.067 0.000 0.828 451 L CB 0.368 42.540 42.059 0.188 0.000 1.380 451 L HN 0.763 nan 8.230 nan 0.000 0.425 452 A N 0.869 123.619 122.820 -0.116 0.000 5.251 452 A HA -0.419 3.901 4.320 -0.000 0.000 0.334 452 A C 1.707 179.140 177.584 -0.250 0.000 1.764 452 A CA 1.997 53.799 52.037 -0.392 0.000 0.708 452 A CB -2.145 16.314 19.000 -0.902 0.000 1.420 452 A HN 1.099 nan 8.150 nan 0.000 0.394 453 N N 0.187 118.529 118.700 -0.597 0.000 2.223 453 N HA -0.093 4.647 4.740 -0.000 0.000 0.185 453 N C 1.022 176.374 175.510 -0.263 0.000 1.016 453 N CA 2.054 54.778 53.050 -0.543 0.000 0.863 453 N CB -0.502 37.283 38.487 -1.170 0.000 0.983 453 N HN 0.567 nan 8.380 nan 0.000 0.429 454 D N -0.460 119.798 120.400 -0.237 0.000 2.317 454 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 454 D C 0.514 176.779 176.300 -0.058 0.000 0.966 454 D CA 0.252 54.185 54.000 -0.111 0.000 0.876 454 D CB -0.026 40.770 40.800 -0.007 0.000 0.927 454 D HN 0.361 nan 8.370 nan 0.000 0.519 455 M N 0.121 119.699 119.600 -0.036 0.000 2.240 455 M HA 0.009 4.489 4.480 -0.000 0.000 0.317 455 M C 1.399 177.697 176.300 -0.004 0.000 1.087 455 M CA 0.307 55.602 55.300 -0.008 0.000 1.176 455 M CB 1.033 33.659 32.600 0.042 0.000 1.439 455 M HN -0.308 nan 8.290 nan 0.000 0.452 456 K N 1.382 121.773 120.400 -0.016 0.000 2.214 456 K HA 0.233 4.553 4.320 -0.000 0.000 0.210 456 K C -0.283 176.316 176.600 -0.002 0.000 1.036 456 K CA 0.433 56.713 56.287 -0.012 0.000 0.958 456 K CB 0.417 32.899 32.500 -0.030 0.000 0.973 456 K HN 0.493 nan 8.250 nan 0.000 0.466 457 V N 0.781 120.684 119.914 -0.018 0.000 2.667 457 V HA 0.568 4.688 4.120 -0.000 0.000 0.308 457 V C -1.369 174.706 176.094 -0.032 0.000 1.048 457 V CA -0.761 61.529 62.300 -0.017 0.000 0.928 457 V CB 1.995 33.801 31.823 -0.028 0.000 1.004 457 V HN -0.059 nan 8.190 nan 0.000 0.444 458 V N 7.374 127.266 119.914 -0.037 0.000 2.558 458 V HA 0.340 4.460 4.120 -0.000 0.000 0.261 458 V C 0.626 176.675 176.094 -0.075 0.000 0.958 458 V CA -0.490 61.755 62.300 -0.091 0.000 0.852 458 V CB 1.053 32.774 31.823 -0.170 0.000 1.067 458 V HN 0.955 nan 8.190 nan 0.000 0.468 459 R N 1.737 122.202 120.500 -0.058 0.000 2.849 459 R HA 0.237 4.577 4.340 -0.000 0.000 0.238 459 R C -0.006 176.268 176.300 -0.042 0.000 1.403 459 R CA -0.335 55.742 56.100 -0.038 0.000 1.303 459 R CB -0.113 30.170 30.300 -0.028 0.000 1.191 459 R HN 0.380 nan 8.270 nan 0.000 0.533 460 M N 3.123 122.682 119.600 -0.069 0.000 2.188 460 M HA 0.220 4.700 4.480 -0.000 0.000 0.354 460 M C -1.970 174.317 176.300 -0.023 0.000 1.342 460 M CA -3.357 51.906 55.300 -0.063 0.000 1.117 460 M CB 0.670 33.195 32.600 -0.126 0.000 1.670 460 M HN 0.101 nan 8.290 nan 0.000 0.466 461 P HA 0.122 nan 4.420 nan 0.000 0.265 461 P C 0.838 178.151 177.300 0.022 0.000 1.187 461 P CA 0.781 63.885 63.100 0.006 0.000 0.766 461 P CB 0.479 32.181 31.700 0.004 0.000 0.820 462 G N 0.675 109.491 108.800 0.026 0.000 2.241 462 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 462 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 462 G C 0.269 175.198 174.900 0.047 0.000 0.998 462 G CA 0.472 45.594 45.100 0.035 0.000 0.621 462 G HN 0.919 nan 8.290 nan 0.000 0.519 463 T N 0.045 114.631 114.554 0.053 0.000 2.900 463 T HA 0.653 5.003 4.350 -0.000 0.000 0.303 463 T C 0.553 175.294 174.700 0.069 0.000 1.142 463 T CA 1.044 63.189 62.100 0.076 0.000 1.007 463 T CB 1.444 70.386 68.868 0.123 0.000 1.156 463 T HN 1.063 nan 8.240 nan 0.000 0.490 464 T N 0.625 115.228 114.554 0.082 0.000 2.770 464 T HA 0.341 4.691 4.350 -0.000 0.000 0.281 464 T C 1.328 176.099 174.700 0.118 0.000 0.981 464 T CA 0.040 62.186 62.100 0.077 0.000 0.955 464 T CB 0.296 69.205 68.868 0.069 0.000 1.060 464 T HN 0.502 nan 8.240 nan 0.000 0.531 465 T N 1.595 116.214 114.554 0.108 0.000 2.894 465 T HA 0.120 4.470 4.350 -0.000 0.000 0.258 465 T C -0.915 173.910 174.700 0.209 0.000 1.043 465 T CA 0.843 63.040 62.100 0.162 0.000 1.141 465 T CB -1.200 67.732 68.868 0.108 0.000 0.873 465 T HN 0.538 nan 8.240 nan 0.000 0.449 466 P HA -0.038 nan 4.420 nan 0.000 0.216 466 P C 1.360 178.736 177.300 0.126 0.000 1.150 466 P CA 1.165 64.341 63.100 0.126 0.000 0.837 466 P CB 0.075 31.824 31.700 0.082 0.000 0.786 467 K N -1.526 118.952 120.400 0.131 0.000 2.062 467 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 467 K C 2.284 178.973 176.600 0.148 0.000 1.051 467 K CA 0.953 57.306 56.287 0.110 0.000 0.941 467 K CB -0.579 31.983 32.500 0.103 0.000 0.719 467 K HN 0.036 nan 8.250 nan 0.000 0.440 468 Y N 1.713 122.074 120.300 0.101 0.000 2.181 468 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 468 Y C 1.591 177.627 175.900 0.227 0.000 1.146 468 Y CA 1.654 59.843 58.100 0.149 0.000 1.164 468 Y CB 0.121 38.675 38.460 0.157 0.000 0.982 468 Y HN -0.069 nan 8.280 nan 0.000 0.515 469 K N 0.256 120.786 120.400 0.216 0.000 2.057 469 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 469 K C 2.282 178.894 176.600 0.021 0.000 1.049 469 K CA 1.621 58.034 56.287 0.210 0.000 0.931 469 K CB -0.353 32.364 32.500 0.360 0.000 0.714 469 K HN 0.339 nan 8.250 nan 0.000 0.440 470 R N 1.455 121.947 120.500 -0.014 0.000 2.096 470 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 470 R C 1.781 177.976 176.300 -0.176 0.000 1.139 470 R CA 1.924 57.950 56.100 -0.123 0.000 0.952 470 R CB -0.130 30.134 30.300 -0.060 0.000 0.854 470 R HN 0.156 nan 8.270 nan 0.000 0.436 471 N N -0.321 118.307 118.700 -0.121 0.000 2.216 471 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 471 N C 1.450 176.839 175.510 -0.201 0.000 1.017 471 N CA 0.961 53.923 53.050 -0.146 0.000 0.861 471 N CB -0.374 38.051 38.487 -0.103 0.000 0.986 471 N HN 0.156 nan 8.380 nan 0.000 0.428 472 F N 2.362 122.115 119.950 -0.328 0.000 2.113 472 F HA -0.091 4.436 4.527 0.000 0.000 0.297 472 F C 2.240 177.798 175.800 -0.402 0.000 1.103 472 F CA 0.986 58.812 58.000 -0.290 0.000 1.248 472 F CB -0.612 38.281 39.000 -0.179 0.000 0.999 472 F HN 0.027 nan 8.300 nan 0.000 0.475 473 N N 0.606 119.024 118.700 -0.469 0.000 2.149 473 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 473 N C 2.003 177.158 175.510 -0.593 0.000 1.019 473 N CA 1.398 53.790 53.050 -1.097 0.000 0.857 473 N CB -0.265 37.225 38.487 -1.661 0.000 0.997 473 N HN 0.258 nan 8.380 nan 0.000 0.426 474 R N -0.104 120.153 120.500 -0.406 0.000 2.081 474 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 474 R C 1.939 178.075 176.300 -0.274 0.000 1.131 474 R CA 1.512 57.439 56.100 -0.289 0.000 0.960 474 R CB -0.197 29.983 30.300 -0.202 0.000 0.856 474 R HN 0.312 nan 8.270 nan 0.000 0.436 475 E N 0.079 120.096 120.200 -0.305 0.000 2.047 475 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 475 E C 1.803 177.985 176.600 -0.697 0.000 0.987 475 E CA 2.223 58.422 56.400 -0.335 0.000 0.799 475 E CB -0.245 29.264 29.700 -0.318 0.000 0.752 475 E HN 0.326 nan 8.360 nan 0.000 0.449 476 T N -1.578 112.444 114.554 -0.886 0.000 2.962 476 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 476 T C 1.988 176.276 174.700 -0.686 0.000 1.088 476 T CA 1.440 62.719 62.100 -1.369 0.000 1.127 476 T CB -0.788 67.485 68.868 -0.992 0.000 0.883 476 T HN 0.215 nan 8.240 nan 0.000 0.493 477 S N 1.754 117.195 115.700 -0.432 0.000 2.442 477 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 477 S C 2.070 176.556 174.600 -0.191 0.000 1.007 477 S CA 0.341 58.386 58.200 -0.260 0.000 0.965 477 S CB -0.527 62.532 63.200 -0.234 0.000 0.773 477 S HN 0.692 nan 8.310 nan 0.000 0.504 478 R N -0.848 119.537 120.500 -0.192 0.000 2.280 478 R HA 0.134 4.474 4.340 -0.000 0.000 0.195 478 R C -0.389 175.927 176.300 0.027 0.000 0.935 478 R CA -0.105 55.971 56.100 -0.040 0.000 1.033 478 R CB -0.035 30.324 30.300 0.099 0.000 0.964 478 R HN 0.409 nan 8.270 nan 0.000 0.489 479 W N 2.993 124.112 121.300 -0.302 0.000 2.655 479 W HA 0.039 4.699 4.660 -0.000 0.000 0.333 479 W C 0.534 176.868 176.519 -0.308 0.000 1.382 479 W CA -0.994 56.077 57.345 -0.457 0.000 1.398 479 W CB -0.209 28.986 29.460 -0.441 0.000 1.481 479 W HN 0.054 nan 8.180 nan 0.000 0.526 480 D N 1.577 121.910 120.400 -0.112 0.000 2.097 480 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 480 D C -0.003 176.045 176.300 -0.420 0.000 0.984 480 D CA 1.703 55.534 54.000 -0.281 0.000 0.826 480 D CB 0.021 40.620 40.800 -0.336 0.000 0.973 480 D HN 0.194 nan 8.370 nan 0.000 0.460 481 Y N -0.828 119.447 120.300 -0.041 0.000 2.485 481 Y HA 0.498 5.048 4.550 0.000 0.000 0.345 481 Y C -0.449 175.412 175.900 -0.064 0.000 0.998 481 Y CA -1.240 56.850 58.100 -0.018 0.000 1.059 481 Y CB 1.971 40.434 38.460 0.004 0.000 1.234 481 Y HN -0.263 nan 8.280 nan 0.000 0.461 482 L N 4.100 125.420 121.223 0.162 0.000 2.406 482 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 482 L C -1.265 175.682 176.870 0.128 0.000 0.980 482 L CA -0.568 54.306 54.840 0.057 0.000 0.831 482 L CB 0.870 42.994 42.059 0.109 0.000 1.253 482 L HN 0.552 nan 8.230 nan 0.000 0.406 483 I N 2.996 123.633 120.570 0.110 0.000 2.638 483 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 483 I C 0.334 176.573 176.117 0.203 0.000 1.088 483 I CA -0.140 61.232 61.300 0.120 0.000 1.397 483 I CB 1.504 39.572 38.000 0.115 0.000 1.414 483 I HN 0.736 nan 8.210 nan 0.000 0.566 484 S N 5.469 121.199 115.700 0.050 0.000 2.548 484 S HA 0.511 4.981 4.470 -0.000 0.000 0.276 484 S C -2.319 172.135 174.600 -0.244 0.000 1.129 484 S CA -1.233 56.982 58.200 0.025 0.000 0.931 484 S CB 2.051 65.280 63.200 0.049 0.000 1.068 484 S HN 0.323 nan 8.310 nan 0.000 0.480 485 P HA 0.228 nan 4.420 nan 0.000 0.245 485 P C -0.617 176.560 177.300 -0.205 0.000 1.203 485 P CA 0.473 63.352 63.100 -0.368 0.000 0.792 485 P CB -0.227 31.274 31.700 -0.330 0.000 0.997 486 N N -3.560 115.026 118.700 -0.191 0.000 3.356 486 N HA 0.180 4.920 4.740 -0.000 0.000 0.246 486 N C 0.316 175.716 175.510 -0.183 0.000 1.480 486 N CA -0.847 52.100 53.050 -0.171 0.000 0.877 486 N CB 0.106 38.505 38.487 -0.146 0.000 1.431 486 N HN -0.456 nan 8.380 nan 0.000 0.500 487 R N -0.468 119.928 120.500 -0.173 0.000 2.081 487 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 487 R C 1.709 177.907 176.300 -0.171 0.000 1.131 487 R CA 1.765 57.766 56.100 -0.165 0.000 0.960 487 R CB -1.002 29.206 30.300 -0.154 0.000 0.856 487 R HN 0.722 nan 8.270 nan 0.000 0.436 488 Y N -0.246 119.868 120.300 -0.310 0.000 2.200 488 Y HA -0.056 4.494 4.550 0.000 0.000 0.290 488 Y C 2.087 177.744 175.900 -0.405 0.000 1.137 488 Y CA 1.853 59.769 58.100 -0.308 0.000 1.163 488 Y CB -0.367 37.941 38.460 -0.253 0.000 0.988 488 Y HN 0.046 nan 8.280 nan 0.000 0.518 489 S N -0.114 115.357 115.700 -0.381 0.000 2.368 489 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 489 S C 1.884 175.821 174.600 -1.105 0.000 1.030 489 S CA 1.710 59.386 58.200 -0.873 0.000 0.999 489 S CB -0.583 62.191 63.200 -0.710 0.000 0.844 489 S HN 0.624 nan 8.310 nan 0.000 0.459 490 T N 1.449 115.628 114.554 -0.624 0.000 2.622 490 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 490 T C 1.827 176.324 174.700 -0.338 0.000 1.047 490 T CA 1.729 63.598 62.100 -0.386 0.000 1.159 490 T CB -0.438 68.311 68.868 -0.198 0.000 0.863 490 T HN 0.373 nan 8.240 nan 0.000 0.422 491 E N 0.559 120.553 120.200 -0.343 0.000 2.097 491 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 491 E C 1.993 178.360 176.600 -0.389 0.000 1.000 491 E CA 1.091 57.309 56.400 -0.304 0.000 0.804 491 E CB -0.395 29.138 29.700 -0.278 0.000 0.740 491 E HN 0.546 nan 8.360 nan 0.000 0.454 492 I N -0.390 119.816 120.570 -0.607 0.000 2.163 492 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 492 I C 1.769 177.624 176.117 -0.437 0.000 1.081 492 I CA 0.647 61.520 61.300 -0.711 0.000 1.353 492 I CB -0.353 36.979 38.000 -1.115 0.000 1.054 492 I HN 0.108 nan 8.210 nan 0.000 0.407 493 F N 1.369 121.043 119.950 -0.461 0.000 2.091 493 F HA -0.249 4.278 4.527 0.000 0.000 0.299 493 F C 2.732 178.388 175.800 -0.241 0.000 1.103 493 F CA 1.600 59.379 58.000 -0.368 0.000 1.228 493 F CB -1.356 37.603 39.000 -0.069 0.000 0.984 493 F HN 0.075 nan 8.300 nan 0.000 0.477 494 R N 0.307 120.810 120.500 0.005 0.000 2.133 494 R HA -0.207 4.133 4.340 -0.000 0.000 0.247 494 R C 2.405 178.642 176.300 -0.105 0.000 1.151 494 R CA 2.109 58.193 56.100 -0.027 0.000 0.971 494 R CB -0.503 29.759 30.300 -0.063 0.000 0.866 494 R HN 0.276 nan 8.270 nan 0.000 0.447 495 S N -1.003 114.569 115.700 -0.213 0.000 2.412 495 S HA 0.153 4.623 4.470 -0.000 0.000 0.223 495 S C 2.057 176.352 174.600 -0.508 0.000 1.048 495 S CA 0.367 58.386 58.200 -0.301 0.000 0.954 495 S CB -0.156 62.883 63.200 -0.269 0.000 0.840 495 S HN 0.477 nan 8.310 nan 0.000 0.503 496 A N 0.420 122.923 122.820 -0.529 0.000 1.972 496 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 496 A C 1.482 178.550 177.584 -0.861 0.000 1.169 496 A CA 0.989 52.593 52.037 -0.721 0.000 0.635 496 A CB -0.735 17.817 19.000 -0.746 0.000 0.810 496 A HN 0.695 nan 8.150 nan 0.000 0.446 497 F N -1.912 117.732 119.950 -0.511 0.000 2.708 497 F HA 0.157 4.684 4.527 0.000 0.000 0.300 497 F C -0.310 175.529 175.800 0.065 0.000 1.118 497 F CA -0.908 56.902 58.000 -0.316 0.000 1.307 497 F CB 0.162 39.002 39.000 -0.267 0.000 0.986 497 F HN 0.304 nan 8.300 nan 0.000 0.522 498 W N 1.502 122.782 121.300 -0.034 0.000 7.736 498 W HA -0.255 4.405 4.660 0.000 0.000 0.423 498 W C -0.220 176.274 176.519 -0.042 0.000 1.715 498 W CA 0.021 57.334 57.345 -0.053 0.000 1.239 498 W CB -1.455 27.957 29.460 -0.080 0.000 2.950 498 W HN 0.047 nan 8.180 nan 0.000 1.655 499 M N 0.235 119.932 119.600 0.161 0.000 2.528 499 M HA 0.314 4.794 4.480 -0.000 0.000 0.318 499 M C 0.571 176.920 176.300 0.081 0.000 1.195 499 M CA -0.275 55.103 55.300 0.130 0.000 1.000 499 M CB 1.072 33.780 32.600 0.180 0.000 1.615 499 M HN -0.086 nan 8.290 nan 0.000 0.469 500 D N 1.093 121.529 120.400 0.061 0.000 2.193 500 D HA 0.129 4.769 4.640 -0.000 0.000 0.244 500 D C 0.643 176.968 176.300 0.043 0.000 1.064 500 D CA -0.124 53.898 54.000 0.037 0.000 0.845 500 D CB 1.681 42.491 40.800 0.016 0.000 1.148 500 D HN 0.645 nan 8.370 nan 0.000 0.464 501 E N 2.079 122.296 120.200 0.028 0.000 2.130 501 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 501 E C 1.086 177.709 176.600 0.038 0.000 0.998 501 E CA 1.461 57.878 56.400 0.028 0.000 0.806 501 E CB 0.290 29.992 29.700 0.004 0.000 0.738 501 E HN 0.435 nan 8.360 nan 0.000 0.459 502 E N 0.109 120.326 120.200 0.029 0.000 2.065 502 E HA -0.261 4.089 4.350 -0.000 0.000 0.201 502 E C 2.154 178.788 176.600 0.057 0.000 1.016 502 E CA 1.377 57.797 56.400 0.033 0.000 0.818 502 E CB -0.291 29.415 29.700 0.011 0.000 0.749 502 E HN 0.321 nan 8.360 nan 0.000 0.453 503 R N 0.254 120.782 120.500 0.047 0.000 2.313 503 R HA 0.151 4.491 4.340 -0.000 0.000 0.199 503 R C 0.756 177.144 176.300 0.147 0.000 0.958 503 R CA 0.004 56.137 56.100 0.054 0.000 1.047 503 R CB 0.052 30.348 30.300 -0.006 0.000 0.955 503 R HN 0.145 nan 8.270 nan 0.000 0.481 504 I N 1.758 122.410 120.570 0.136 0.000 2.428 504 I HA 0.101 4.271 4.170 -0.000 0.000 0.289 504 I C -0.105 176.087 176.117 0.124 0.000 1.019 504 I CA -0.260 61.130 61.300 0.151 0.000 1.351 504 I CB 1.126 39.205 38.000 0.132 0.000 1.412 504 I HN -0.083 nan 8.210 nan 0.000 0.513 505 L N 6.917 128.205 121.223 0.108 0.000 2.295 505 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 505 L C -0.011 176.817 176.870 -0.070 0.000 1.018 505 L CA -0.406 54.444 54.840 0.017 0.000 0.841 505 L CB 0.828 42.900 42.059 0.020 0.000 1.218 505 L HN 0.568 nan 8.230 nan 0.000 0.424 506 E N 4.985 125.119 120.200 -0.110 0.000 1.932 506 E HA 0.151 4.501 4.350 -0.000 0.000 0.275 506 E C 0.674 177.136 176.600 -0.230 0.000 1.159 506 E CA 0.043 56.352 56.400 -0.152 0.000 0.905 506 E CB 0.698 30.320 29.700 -0.130 0.000 1.059 506 E HN 0.643 nan 8.360 nan 0.000 0.400 507 I N -0.736 119.683 120.570 -0.252 0.000 4.983 507 I HA 0.376 4.546 4.170 -0.000 0.000 0.346 507 I C 0.700 176.694 176.117 -0.205 0.000 1.261 507 I CA -0.248 60.879 61.300 -0.289 0.000 1.406 507 I CB 0.644 38.378 38.000 -0.443 0.000 1.529 507 I HN 0.520 nan 8.210 nan 0.000 0.524 508 G N 1.664 110.325 108.800 -0.232 0.000 2.655 508 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.680 508 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.680 508 G C -1.387 173.388 174.900 -0.209 0.000 1.302 508 G CA -0.682 44.270 45.100 -0.247 0.000 0.872 508 G HN 0.192 nan 8.290 nan 0.000 0.540 509 Y N 0.781 121.114 120.300 0.054 0.000 2.336 509 Y HA 0.445 4.995 4.550 -0.000 0.000 0.335 509 Y C -0.927 174.994 175.900 0.036 0.000 1.046 509 Y CA -1.604 56.539 58.100 0.071 0.000 1.198 509 Y CB 1.464 39.987 38.460 0.106 0.000 1.182 509 Y HN 0.253 nan 8.280 nan 0.000 0.502 510 P HA -0.174 nan 4.420 nan 0.000 0.221 510 P C 0.851 178.140 177.300 -0.019 0.000 1.145 510 P CA 1.643 64.830 63.100 0.144 0.000 0.795 510 P CB 0.244 32.079 31.700 0.225 0.000 0.775 511 R N -1.685 118.796 120.500 -0.032 0.000 2.276 511 R HA 0.115 4.455 4.340 -0.000 0.000 0.203 511 R C 1.340 177.477 176.300 -0.271 0.000 1.017 511 R CA 0.904 56.788 56.100 -0.360 0.000 1.010 511 R CB -1.024 29.253 30.300 -0.038 0.000 0.900 511 R HN 0.072 nan 8.270 nan 0.000 0.469 512 N N 0.800 119.489 118.700 -0.018 0.000 2.353 512 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 512 N C 0.246 175.771 175.510 0.025 0.000 1.098 512 N CA 0.524 53.614 53.050 0.066 0.000 0.872 512 N CB 0.109 38.701 38.487 0.175 0.000 0.970 512 N HN 0.202 nan 8.380 nan 0.000 0.467 513 D N 0.288 120.664 120.400 -0.041 0.000 2.133 513 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 513 D C 2.011 178.339 176.300 0.047 0.000 0.997 513 D CA 0.992 55.001 54.000 0.015 0.000 0.840 513 D CB -0.163 40.660 40.800 0.039 0.000 0.947 513 D HN 0.148 nan 8.370 nan 0.000 0.452 514 V N -0.079 119.854 119.914 0.031 0.000 2.469 514 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 514 V C 2.498 178.680 176.094 0.147 0.000 1.064 514 V CA 1.102 63.474 62.300 0.120 0.000 1.066 514 V CB -1.003 30.948 31.823 0.214 0.000 0.667 514 V HN 0.201 nan 8.190 nan 0.000 0.461 515 L N -0.127 121.178 121.223 0.137 0.000 2.187 515 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 515 L C 2.380 179.322 176.870 0.120 0.000 1.100 515 L CA 1.147 56.075 54.840 0.148 0.000 0.765 515 L CB -0.610 41.539 42.059 0.151 0.000 0.904 515 L HN 0.316 nan 8.230 nan 0.000 0.437 516 V N -1.134 118.843 119.914 0.105 0.000 2.581 516 V HA -0.029 4.091 4.120 -0.000 0.000 0.240 516 V C 1.970 178.116 176.094 0.086 0.000 1.054 516 V CA 0.914 63.271 62.300 0.095 0.000 1.076 516 V CB -0.402 31.474 31.823 0.087 0.000 0.748 516 V HN 0.358 nan 8.190 nan 0.000 0.474 517 N N 0.724 119.473 118.700 0.083 0.000 2.216 517 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 517 N C 1.696 177.247 175.510 0.069 0.000 1.017 517 N CA 1.039 54.132 53.050 0.071 0.000 0.861 517 N CB -0.129 38.399 38.487 0.067 0.000 0.986 517 N HN 0.324 nan 8.380 nan 0.000 0.428 518 R N -0.069 120.486 120.500 0.092 0.000 2.437 518 R HA 0.347 4.687 4.340 -0.000 0.000 0.257 518 R C 1.220 177.629 176.300 0.182 0.000 0.927 518 R CA 0.004 56.168 56.100 0.107 0.000 1.078 518 R CB 0.340 30.680 30.300 0.066 0.000 1.161 518 R HN 0.093 nan 8.270 nan 0.000 0.529 519 A N 1.310 124.220 122.820 0.149 0.000 2.070 519 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 519 A C 1.444 179.101 177.584 0.122 0.000 1.159 519 A CA 1.161 53.284 52.037 0.144 0.000 0.656 519 A CB -0.106 18.958 19.000 0.107 0.000 0.800 519 A HN 0.193 nan 8.150 nan 0.000 0.453 520 N N -0.118 118.646 118.700 0.106 0.000 2.205 520 N HA 0.008 4.748 4.740 -0.000 0.000 0.201 520 N C -0.597 174.970 175.510 0.096 0.000 1.128 520 N CA -0.062 53.040 53.050 0.087 0.000 0.867 520 N CB 0.319 38.843 38.487 0.063 0.000 0.996 520 N HN 0.359 nan 8.380 nan 0.000 0.503 521 D N 1.465 121.941 120.400 0.127 0.000 2.371 521 D HA 0.036 4.676 4.640 -0.000 0.000 0.256 521 D C 0.865 177.266 176.300 0.168 0.000 1.193 521 D CA 0.270 54.353 54.000 0.138 0.000 0.881 521 D CB 1.193 42.080 40.800 0.144 0.000 1.143 521 D HN -0.017 nan 8.370 nan 0.000 0.473 522 Q N 2.864 122.738 119.800 0.124 0.000 2.226 522 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 522 Q C 1.451 177.518 176.000 0.112 0.000 0.945 522 Q CA 0.414 56.280 55.803 0.105 0.000 0.861 522 Q CB 0.059 28.840 28.738 0.071 0.000 0.953 522 Q HN 0.679 nan 8.270 nan 0.000 0.490 523 E N -0.166 120.103 120.200 0.115 0.000 2.219 523 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 523 E C 1.615 178.315 176.600 0.167 0.000 0.998 523 E CA 0.883 57.351 56.400 0.113 0.000 0.818 523 E CB 0.040 29.799 29.700 0.098 0.000 0.741 523 E HN 0.218 nan 8.360 nan 0.000 0.477 524 Y N 0.754 121.085 120.300 0.052 0.000 2.176 524 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 524 Y C 1.922 177.864 175.900 0.071 0.000 1.122 524 Y CA 1.219 59.357 58.100 0.063 0.000 1.128 524 Y CB -0.384 38.119 38.460 0.072 0.000 1.005 524 Y HN -0.025 nan 8.280 nan 0.000 0.509 525 L N -0.042 121.210 121.223 0.048 0.000 2.081 525 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 525 L C 1.932 178.778 176.870 -0.039 0.000 1.080 525 L CA 1.887 56.702 54.840 -0.042 0.000 0.754 525 L CB -0.726 41.357 42.059 0.040 0.000 0.893 525 L HN 0.206 nan 8.230 nan 0.000 0.433 526 D N -0.236 120.172 120.400 0.012 0.000 2.144 526 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 526 D C 2.123 178.433 176.300 0.018 0.000 0.978 526 D CA 0.900 54.912 54.000 0.020 0.000 0.833 526 D CB 0.044 40.867 40.800 0.039 0.000 0.961 526 D HN 0.359 nan 8.370 nan 0.000 0.470 527 E N 0.211 120.420 120.200 0.014 0.000 2.007 527 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 527 E C 2.322 178.943 176.600 0.035 0.000 0.999 527 E CA 0.708 57.125 56.400 0.028 0.000 0.811 527 E CB -0.159 29.558 29.700 0.027 0.000 0.762 527 E HN 0.265 nan 8.360 nan 0.000 0.450 528 I N 0.874 121.412 120.570 -0.053 0.000 2.236 528 I HA -0.351 3.819 4.170 -0.000 0.000 0.249 528 I C 2.521 178.655 176.117 0.030 0.000 1.102 528 I CA 1.331 62.625 61.300 -0.009 0.000 1.365 528 I CB -0.425 37.477 38.000 -0.164 0.000 1.051 528 I HN 0.075 nan 8.210 nan 0.000 0.420 529 R N 0.285 120.783 120.500 -0.003 0.000 2.073 529 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 529 R C 2.470 178.785 176.300 0.024 0.000 1.120 529 R CA 1.973 58.072 56.100 -0.001 0.000 0.967 529 R CB -0.438 29.859 30.300 -0.005 0.000 0.862 529 R HN 0.535 nan 8.270 nan 0.000 0.436 530 T N -2.717 111.866 114.554 0.048 0.000 3.054 530 T HA -0.076 4.274 4.350 -0.000 0.000 0.259 530 T C 1.648 176.397 174.700 0.081 0.000 1.092 530 T CA 0.774 62.904 62.100 0.050 0.000 1.121 530 T CB -0.161 68.734 68.868 0.046 0.000 0.912 530 T HN 0.274 nan 8.240 nan 0.000 0.489 531 H N 1.051 120.138 119.070 0.029 0.000 2.489 531 H HA 0.220 4.776 4.556 -0.000 0.000 0.293 531 H C 1.523 176.891 175.328 0.067 0.000 1.066 531 H CA 1.069 57.149 56.048 0.053 0.000 1.305 531 H CB -0.447 29.365 29.762 0.084 0.000 1.386 531 H HN 0.372 nan 8.280 nan 0.000 0.551 532 L N -0.300 120.921 121.223 -0.003 0.000 2.607 532 L HA 0.089 4.429 4.340 -0.000 0.000 0.228 532 L C 0.201 177.037 176.870 -0.056 0.000 1.123 532 L CA 0.082 54.883 54.840 -0.064 0.000 0.890 532 L CB 0.062 42.091 42.059 -0.050 0.000 1.103 532 L HN 0.292 nan 8.230 nan 0.000 0.468 533 N N 1.036 119.715 118.700 -0.035 0.000 2.758 533 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 533 N C -0.426 175.077 175.510 -0.011 0.000 1.076 533 N CA 0.682 53.720 53.050 -0.021 0.000 0.696 533 N CB -1.407 37.062 38.487 -0.030 0.000 0.979 533 N HN 0.290 nan 8.380 nan 0.000 0.550 534 L N 0.763 121.981 121.223 -0.008 0.000 2.334 534 L HA 0.405 4.745 4.340 -0.000 0.000 0.277 534 L C -1.377 175.497 176.870 0.006 0.000 1.075 534 L CA -1.560 53.277 54.840 -0.005 0.000 0.804 534 L CB 0.333 42.382 42.059 -0.016 0.000 1.174 534 L HN -0.150 nan 8.230 nan 0.000 0.438 535 P HA -0.071 nan 4.420 nan 0.000 0.267 535 P C 0.044 177.350 177.300 0.011 0.000 1.175 535 P CA 0.406 63.519 63.100 0.021 0.000 0.763 535 P CB 0.543 32.265 31.700 0.036 0.000 0.795 536 S N 0.715 116.421 115.700 0.009 0.000 2.456 536 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 536 S C 1.183 175.781 174.600 -0.003 0.000 1.035 536 S CA 0.780 58.982 58.200 0.004 0.000 0.940 536 S CB -0.206 62.998 63.200 0.006 0.000 0.799 536 S HN 0.670 nan 8.310 nan 0.000 0.508 537 D N 1.362 121.759 120.400 -0.006 0.000 2.347 537 D HA 0.015 4.655 4.640 -0.000 0.000 0.213 537 D C 0.228 176.506 176.300 -0.038 0.000 0.985 537 D CA 0.361 54.349 54.000 -0.019 0.000 0.879 537 D CB 0.061 40.851 40.800 -0.017 0.000 0.919 537 D HN 0.237 nan 8.370 nan 0.000 0.526 538 K N 0.865 121.248 120.400 -0.029 0.000 2.156 538 K HA 0.301 4.621 4.320 -0.000 0.000 0.271 538 K C 0.229 176.791 176.600 -0.064 0.000 0.995 538 K CA -0.574 55.684 56.287 -0.049 0.000 0.890 538 K CB 2.120 34.624 32.500 0.006 0.000 1.073 538 K HN -0.144 nan 8.250 nan 0.000 0.454 539 K N 0.873 121.182 120.400 -0.152 0.000 2.120 539 K HA 0.322 4.642 4.320 -0.000 0.000 0.245 539 K C -0.594 176.035 176.600 0.048 0.000 1.024 539 K CA -0.546 55.677 56.287 -0.108 0.000 0.906 539 K CB 1.042 33.377 32.500 -0.275 0.000 1.051 539 K HN 0.160 nan 8.250 nan 0.000 0.491 540 V N 3.130 123.114 119.914 0.117 0.000 2.483 540 V HA 0.334 4.454 4.120 -0.000 0.000 0.297 540 V C -0.478 175.688 176.094 0.120 0.000 1.027 540 V CA -0.695 61.667 62.300 0.104 0.000 0.855 540 V CB 1.355 33.202 31.823 0.039 0.000 0.995 540 V HN 0.556 nan 8.190 nan 0.000 0.424 541 I N 5.321 125.926 120.570 0.058 0.000 2.392 541 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 541 I C -0.032 176.040 176.117 -0.075 0.000 0.985 541 I CA -0.205 61.073 61.300 -0.037 0.000 1.221 541 I CB 1.590 39.487 38.000 -0.172 0.000 1.366 541 I HN 0.501 nan 8.210 nan 0.000 0.467 542 M N 6.815 126.369 119.600 -0.076 0.000 2.227 542 M HA 0.362 4.842 4.480 -0.000 0.000 0.335 542 M C -1.901 174.394 176.300 -0.009 0.000 1.053 542 M CA -0.657 54.603 55.300 -0.066 0.000 0.973 542 M CB 1.473 34.030 32.600 -0.070 0.000 1.623 542 M HN 0.521 nan 8.290 nan 0.000 0.434 543 Y N 3.793 124.001 120.300 -0.153 0.000 2.335 543 Y HA 0.684 5.234 4.550 0.000 0.000 0.338 543 Y C -1.239 174.614 175.900 -0.077 0.000 0.977 543 Y CA -1.261 56.760 58.100 -0.132 0.000 1.114 543 Y CB 1.605 39.974 38.460 -0.152 0.000 1.182 543 Y HN 0.696 nan 8.280 nan 0.000 0.463 544 A N 8.280 130.846 122.820 -0.423 0.000 3.156 544 A HA 0.494 4.814 4.320 -0.000 0.000 0.311 544 A C -3.109 174.266 177.584 -0.348 0.000 1.129 544 A CA -1.331 50.501 52.037 -0.342 0.000 0.809 544 A CB -0.051 18.886 19.000 -0.105 0.000 1.257 544 A HN 0.486 nan 8.150 nan 0.000 0.491 545 P HA 0.341 nan 4.420 nan 0.000 0.275 545 P C 0.599 177.851 177.300 -0.081 0.000 1.228 545 P CA 0.241 63.171 63.100 -0.284 0.000 0.786 545 P CB 0.819 32.348 31.700 -0.284 0.000 0.927 546 T N -0.989 113.566 114.554 0.002 0.000 2.849 546 T HA 0.146 4.496 4.350 -0.000 0.000 0.284 546 T C -0.015 174.780 174.700 0.157 0.000 1.004 546 T CA -0.852 61.325 62.100 0.128 0.000 1.021 546 T CB 0.516 69.508 68.868 0.208 0.000 1.013 546 T HN 0.404 nan 8.240 nan 0.000 0.527 547 W N 1.613 122.934 121.300 0.035 0.000 2.112 547 W HA 0.390 5.050 4.660 0.000 0.000 0.349 547 W C -0.476 176.062 176.519 0.032 0.000 1.289 547 W CA -0.627 56.706 57.345 -0.021 0.000 1.256 547 W CB 0.378 29.732 29.460 -0.177 0.000 1.148 547 W HN 0.744 nan 8.180 nan 0.000 0.590 548 R N 3.292 123.163 120.500 -1.049 0.000 2.508 548 R HA 0.049 4.389 4.340 -0.000 0.000 0.283 548 R C 0.439 176.250 176.300 -0.815 0.000 1.120 548 R CA -0.552 55.194 56.100 -0.589 0.000 0.958 548 R CB 1.498 31.625 30.300 -0.289 0.000 1.215 548 R HN 0.341 nan 8.270 nan 0.000 0.427 549 D N 1.074 121.372 120.400 -0.170 0.000 2.117 549 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 549 D C 0.694 176.991 176.300 -0.005 0.000 0.987 549 D CA 1.131 55.175 54.000 0.073 0.000 0.829 549 D CB 0.208 41.126 40.800 0.196 0.000 0.961 549 D HN 0.543 nan 8.370 nan 0.000 0.460 550 D N 0.717 121.101 120.400 -0.025 0.000 2.369 550 D HA -0.186 4.454 4.640 -0.000 0.000 0.213 550 D C 0.947 177.234 176.300 -0.021 0.000 0.982 550 D CA 0.938 54.934 54.000 -0.008 0.000 0.931 550 D CB -0.151 40.644 40.800 -0.009 0.000 0.889 550 D HN 0.487 nan 8.370 nan 0.000 0.487 551 E N -1.048 119.100 120.200 -0.087 0.000 2.526 551 E HA 0.088 4.438 4.350 -0.000 0.000 0.208 551 E C -0.183 176.383 176.600 -0.057 0.000 0.997 551 E CA -0.453 55.893 56.400 -0.090 0.000 0.961 551 E CB 0.407 30.024 29.700 -0.138 0.000 1.030 551 E HN 0.098 nan 8.360 nan 0.000 0.483 552 F N 2.675 122.544 119.950 -0.135 0.000 2.390 552 F HA 0.257 4.784 4.527 -0.000 0.000 0.361 552 F C -0.307 175.487 175.800 -0.010 0.000 1.124 552 F CA -0.729 57.257 58.000 -0.024 0.000 1.149 552 F CB 0.480 39.556 39.000 0.128 0.000 1.160 552 F HN -0.285 nan 8.300 nan 0.000 0.501 553 V N 1.472 121.175 119.914 -0.352 0.000 3.012 553 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 553 V C 0.026 175.871 176.094 -0.415 0.000 1.166 553 V CA -1.028 61.116 62.300 -0.260 0.000 0.974 553 V CB 1.171 32.910 31.823 -0.138 0.000 1.040 553 V HN 0.696 nan 8.190 nan 0.000 0.428 554 S N 1.397 116.919 115.700 -0.296 0.000 3.696 554 S HA -0.176 4.294 4.470 -0.000 0.000 0.302 554 S C 0.780 175.219 174.600 -0.268 0.000 1.182 554 S CA 1.208 59.225 58.200 -0.306 0.000 0.857 554 S CB -1.367 61.496 63.200 -0.562 0.000 0.960 554 S HN 1.530 nan 8.310 nan 0.000 0.559 555 K N -1.795 118.467 120.400 -0.230 0.000 3.572 555 K HA -0.215 4.105 4.320 -0.000 0.000 0.306 555 K C 0.733 177.141 176.600 -0.319 0.000 1.286 555 K CA 1.686 57.896 56.287 -0.129 0.000 1.010 555 K CB -1.774 30.722 32.500 -0.006 0.000 1.268 555 K HN 1.729 nan 8.250 nan 0.000 0.438 556 G N -0.286 108.166 108.800 -0.580 0.000 2.165 556 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.226 556 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.226 556 G C 0.588 175.381 174.900 -0.178 0.000 1.035 556 G CA 0.391 45.211 45.100 -0.467 0.000 0.744 556 G HN 0.097 nan 8.290 nan 0.000 0.501 557 K N -0.811 119.483 120.400 -0.176 0.000 2.099 557 K HA 0.150 4.470 4.320 -0.000 0.000 0.203 557 K C 0.797 177.452 176.600 0.092 0.000 1.047 557 K CA 1.484 57.766 56.287 -0.008 0.000 0.963 557 K CB 0.079 32.625 32.500 0.076 0.000 0.759 557 K HN 0.865 nan 8.250 nan 0.000 0.451 558 Y N 0.428 120.710 120.300 -0.030 0.000 2.354 558 Y HA 0.487 5.037 4.550 -0.000 0.000 0.330 558 Y C -0.628 175.268 175.900 -0.006 0.000 1.011 558 Y CA -2.450 55.643 58.100 -0.011 0.000 1.099 558 Y CB 0.401 38.861 38.460 0.001 0.000 1.179 558 Y HN -0.210 nan 8.280 nan 0.000 0.442 559 L N 0.539 121.806 121.223 0.073 0.000 2.387 559 L HA 0.658 4.998 4.340 -0.000 0.000 0.266 559 L C -0.665 176.293 176.870 0.145 0.000 1.059 559 L CA -1.248 53.620 54.840 0.046 0.000 0.801 559 L CB 0.511 42.583 42.059 0.022 0.000 1.223 559 L HN 0.641 nan 8.230 nan 0.000 0.456 560 F N 1.886 121.845 119.950 0.015 0.000 2.445 560 F HA 0.289 4.816 4.527 -0.000 0.000 0.359 560 F C 0.751 176.564 175.800 0.021 0.000 1.101 560 F CA -0.317 57.702 58.000 0.033 0.000 1.177 560 F CB 0.318 39.330 39.000 0.019 0.000 1.110 560 F HN 0.794 nan 8.300 nan 0.000 0.522 561 E N 5.906 125.844 120.200 -0.437 0.000 2.975 561 E HA -0.128 4.222 4.350 -0.000 0.000 0.269 561 E C -0.338 176.182 176.600 -0.133 0.000 0.905 561 E CA -0.147 56.074 56.400 -0.298 0.000 0.967 561 E CB 0.038 29.484 29.700 -0.423 0.000 0.925 561 E HN 0.604 nan 8.360 nan 0.000 0.507 562 L N 2.475 123.664 121.223 -0.057 0.000 2.581 562 L HA -0.136 4.204 4.340 -0.000 0.000 0.299 562 L C 1.624 178.464 176.870 -0.051 0.000 1.261 562 L CA 0.282 55.113 54.840 -0.016 0.000 0.866 562 L CB -0.110 41.964 42.059 0.025 0.000 1.113 562 L HN 0.593 nan 8.230 nan 0.000 0.514 563 K N 1.984 122.326 120.400 -0.095 0.000 2.439 563 K HA -0.021 4.299 4.320 -0.000 0.000 0.197 563 K C 1.659 178.205 176.600 -0.091 0.000 1.041 563 K CA 0.715 56.939 56.287 -0.104 0.000 0.970 563 K CB -0.022 32.242 32.500 -0.393 0.000 0.773 563 K HN 0.649 nan 8.250 nan 0.000 0.479 564 I N 1.289 121.767 120.570 -0.154 0.000 2.756 564 I HA -0.200 3.970 4.170 -0.000 0.000 0.262 564 I C -0.365 175.467 176.117 -0.475 0.000 1.225 564 I CA 0.784 61.771 61.300 -0.521 0.000 1.472 564 I CB 0.138 37.701 38.000 -0.728 0.000 1.094 564 I HN 0.250 nan 8.210 nan 0.000 0.454 565 D N 0.532 120.768 120.400 -0.272 0.000 3.515 565 D HA -0.185 4.455 4.640 -0.000 0.000 0.247 565 D C 0.847 177.038 176.300 -0.182 0.000 1.084 565 D CA 0.281 54.175 54.000 -0.176 0.000 1.030 565 D CB -1.052 39.668 40.800 -0.134 0.000 0.946 565 D HN 0.275 nan 8.370 nan 0.000 0.420 566 L N 1.026 122.125 121.223 -0.207 0.000 2.012 566 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 566 L C 2.201 178.980 176.870 -0.152 0.000 1.073 566 L CA 1.551 56.215 54.840 -0.293 0.000 0.748 566 L CB -0.300 41.359 42.059 -0.668 0.000 0.891 566 L HN 0.326 nan 8.230 nan 0.000 0.431 567 D N 0.004 120.422 120.400 0.030 0.000 2.149 567 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 567 D C 1.891 178.256 176.300 0.108 0.000 1.001 567 D CA 1.531 55.647 54.000 0.192 0.000 0.849 567 D CB -0.102 40.790 40.800 0.153 0.000 0.939 567 D HN 0.271 nan 8.370 nan 0.000 0.449 568 N N -0.313 118.414 118.700 0.045 0.000 2.135 568 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 568 N C 2.028 177.524 175.510 -0.023 0.000 1.027 568 N CA 0.574 53.644 53.050 0.032 0.000 0.849 568 N CB -0.276 38.273 38.487 0.103 0.000 1.002 568 N HN 0.100 nan 8.380 nan 0.000 0.425 569 L N -0.451 120.743 121.223 -0.048 0.000 2.079 569 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 569 L C 2.010 178.864 176.870 -0.027 0.000 1.081 569 L CA 1.118 55.947 54.840 -0.018 0.000 0.752 569 L CB -0.549 41.523 42.059 0.021 0.000 0.896 569 L HN 0.323 nan 8.230 nan 0.000 0.433 570 Y N 1.081 121.135 120.300 -0.411 0.000 2.089 570 Y HA -0.289 4.261 4.550 0.000 0.000 0.282 570 Y C 2.607 178.221 175.900 -0.476 0.000 1.139 570 Y CA 1.501 59.032 58.100 -0.947 0.000 1.123 570 Y CB -0.385 37.742 38.460 -0.554 0.000 0.980 570 Y HN 0.006 nan 8.280 nan 0.000 0.493 571 K N -0.370 119.896 120.400 -0.225 0.000 2.059 571 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 571 K C 1.896 178.387 176.600 -0.182 0.000 1.050 571 K CA 1.921 58.075 56.287 -0.222 0.000 0.927 571 K CB -0.088 32.347 32.500 -0.108 0.000 0.714 571 K HN 0.334 nan 8.250 nan 0.000 0.447 572 E N -0.124 120.001 120.200 -0.125 0.000 2.170 572 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 572 E C 1.702 178.276 176.600 -0.044 0.000 0.981 572 E CA 0.874 57.225 56.400 -0.081 0.000 0.830 572 E CB 0.366 30.020 29.700 -0.076 0.000 0.775 572 E HN 0.333 nan 8.360 nan 0.000 0.470 573 L N -1.331 119.878 121.223 -0.025 0.000 3.039 573 L HA 0.324 4.664 4.340 -0.000 0.000 0.269 573 L C 1.901 178.893 176.870 0.204 0.000 1.169 573 L CA 0.248 55.173 54.840 0.141 0.000 0.986 573 L CB 0.280 42.415 42.059 0.127 0.000 1.377 573 L HN -0.002 nan 8.230 nan 0.000 0.575 574 G N 0.160 108.917 108.800 -0.072 0.000 2.537 574 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 574 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 574 G C 0.952 175.871 174.900 0.032 0.000 1.111 574 G CA 0.953 45.965 45.100 -0.147 0.000 0.748 574 G HN 0.248 nan 8.290 nan 0.000 0.564 575 D N -0.349 120.065 120.400 0.022 0.000 2.380 575 D HA 0.034 4.674 4.640 -0.000 0.000 0.212 575 D C 1.492 177.808 176.300 0.027 0.000 1.021 575 D CA 0.275 54.282 54.000 0.012 0.000 0.884 575 D CB 0.240 41.019 40.800 -0.034 0.000 1.001 575 D HN 0.146 nan 8.370 nan 0.000 0.506 576 D N -0.807 119.626 120.400 0.055 0.000 2.262 576 D HA 0.012 4.652 4.640 -0.000 0.000 0.212 576 D C 0.258 176.422 176.300 -0.227 0.000 0.964 576 D CA 0.575 54.505 54.000 -0.117 0.000 0.875 576 D CB 0.459 41.150 40.800 -0.181 0.000 0.996 576 D HN 0.240 nan 8.370 nan 0.000 0.497 577 Y N -0.476 119.880 120.300 0.093 0.000 2.598 577 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 577 Y C -0.116 175.860 175.900 0.127 0.000 1.038 577 Y CA -1.122 57.030 58.100 0.087 0.000 1.100 577 Y CB 2.207 40.703 38.460 0.060 0.000 1.281 577 Y HN -0.382 nan 8.280 nan 0.000 0.488 578 V N 3.244 123.264 119.914 0.177 0.000 2.823 578 V HA 0.557 4.677 4.120 -0.000 0.000 0.312 578 V C -1.277 174.709 176.094 -0.179 0.000 1.072 578 V CA -0.993 61.292 62.300 -0.025 0.000 0.937 578 V CB 2.077 33.898 31.823 -0.003 0.000 1.013 578 V HN 0.684 nan 8.190 nan 0.000 0.430 579 I N 6.151 126.439 120.570 -0.470 0.000 2.436 579 I HA 0.516 4.686 4.170 -0.000 0.000 0.289 579 I C -1.234 174.705 176.117 -0.296 0.000 1.010 579 I CA -0.740 60.322 61.300 -0.395 0.000 1.098 579 I CB 1.469 39.132 38.000 -0.563 0.000 1.266 579 I HN 0.541 nan 8.210 nan 0.000 0.434 580 L N 8.153 129.270 121.223 -0.178 0.000 2.260 580 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 580 L C -0.592 176.224 176.870 -0.089 0.000 1.057 580 L CA -0.586 54.172 54.840 -0.138 0.000 0.811 580 L CB 1.023 43.002 42.059 -0.133 0.000 1.184 580 L HN 0.506 nan 8.230 nan 0.000 0.429 581 L N 4.994 126.169 121.223 -0.080 0.000 2.268 581 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 581 L C 0.309 177.147 176.870 -0.053 0.000 1.064 581 L CA -0.202 54.619 54.840 -0.033 0.000 0.824 581 L CB 0.675 42.720 42.059 -0.022 0.000 1.202 581 L HN 0.572 nan 8.230 nan 0.000 0.433 582 R N 4.838 125.289 120.500 -0.082 0.000 2.278 582 R HA 0.481 4.821 4.340 -0.000 0.000 0.322 582 R C -0.709 175.549 176.300 -0.071 0.000 1.058 582 R CA -0.393 55.663 56.100 -0.073 0.000 0.991 582 R CB 0.514 30.761 30.300 -0.090 0.000 1.140 582 R HN 0.450 nan 8.270 nan 0.000 0.518 583 M N 1.846 121.436 119.600 -0.016 0.000 2.705 583 M HA 0.250 4.730 4.480 -0.000 0.000 0.311 583 M C 0.170 176.537 176.300 0.111 0.000 1.214 583 M CA -0.929 54.391 55.300 0.033 0.000 0.920 583 M CB 1.117 33.745 32.600 0.048 0.000 1.687 583 M HN 0.525 nan 8.290 nan 0.000 0.481 584 H N 1.519 120.656 119.070 0.112 0.000 2.871 584 H HA -0.055 4.501 4.556 -0.000 0.000 0.355 584 H C 0.347 175.736 175.328 0.101 0.000 1.092 584 H CA 0.709 56.839 56.048 0.136 0.000 1.420 584 H CB 0.776 30.720 29.762 0.304 0.000 1.400 584 H HN 0.731 nan 8.280 nan 0.000 0.604 585 Y N 3.344 123.245 120.300 -0.665 0.000 2.315 585 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 585 Y C 1.922 177.764 175.900 -0.097 0.000 1.154 585 Y CA 1.044 58.945 58.100 -0.332 0.000 1.229 585 Y CB -0.613 37.639 38.460 -0.347 0.000 0.980 585 Y HN 0.482 nan 8.280 nan 0.000 0.540 586 L N -0.155 120.779 121.223 -0.481 0.000 2.156 586 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 586 L C 2.390 179.420 176.870 0.266 0.000 1.095 586 L CA 1.089 55.971 54.840 0.070 0.000 0.770 586 L CB -0.354 41.876 42.059 0.286 0.000 0.914 586 L HN 0.286 nan 8.230 nan 0.000 0.439 587 I N -1.324 119.434 120.570 0.314 0.000 2.406 587 I HA -0.229 3.941 4.170 -0.000 0.000 0.249 587 I C 2.752 178.951 176.117 0.136 0.000 1.122 587 I CA 0.712 62.138 61.300 0.209 0.000 1.431 587 I CB -0.071 38.043 38.000 0.190 0.000 1.087 587 I HN 0.169 nan 8.210 nan 0.000 0.424 588 S N 2.253 118.029 115.700 0.127 0.000 2.354 588 S HA -0.234 4.236 4.470 -0.000 0.000 0.219 588 S C 1.495 176.150 174.600 0.092 0.000 1.035 588 S CA 2.328 60.585 58.200 0.094 0.000 1.037 588 S CB -0.592 62.660 63.200 0.087 0.000 0.956 588 S HN 0.645 nan 8.310 nan 0.000 0.428 589 N N 1.026 119.794 118.700 0.113 0.000 2.551 589 N HA 0.263 5.003 4.740 -0.000 0.000 0.199 589 N C 0.272 175.837 175.510 0.091 0.000 1.277 589 N CA 0.714 53.823 53.050 0.098 0.000 0.870 589 N CB 0.033 38.585 38.487 0.109 0.000 1.028 589 N HN 0.371 nan 8.380 nan 0.000 0.452 590 A N -0.365 122.509 122.820 0.089 0.000 2.603 590 A HA 0.301 4.621 4.320 -0.000 0.000 0.277 590 A C -0.186 177.438 177.584 0.067 0.000 1.158 590 A CA -0.467 51.615 52.037 0.075 0.000 0.962 590 A CB 0.369 19.407 19.000 0.064 0.000 1.189 590 A HN 0.343 nan 8.150 nan 0.000 0.552 591 L N 1.231 122.492 121.223 0.064 0.000 2.294 591 L HA 0.383 4.723 4.340 -0.000 0.000 0.283 591 L C -1.494 175.407 176.870 0.051 0.000 1.015 591 L CA -0.521 54.352 54.840 0.055 0.000 0.831 591 L CB 1.402 43.493 42.059 0.052 0.000 1.217 591 L HN 0.117 nan 8.230 nan 0.000 0.420 592 D N 4.877 125.307 120.400 0.049 0.000 2.316 592 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 592 D C 0.308 176.648 176.300 0.065 0.000 1.171 592 D CA -0.004 54.020 54.000 0.041 0.000 0.856 592 D CB 1.063 41.876 40.800 0.021 0.000 1.090 592 D HN 0.462 nan 8.370 nan 0.000 0.476 593 L N 2.528 123.791 121.223 0.066 0.000 3.017 593 L HA 0.201 4.541 4.340 -0.000 0.000 0.255 593 L C 0.183 177.077 176.870 0.039 0.000 1.247 593 L CA -0.311 54.609 54.840 0.134 0.000 1.038 593 L CB 0.224 42.352 42.059 0.115 0.000 1.380 593 L HN 0.192 nan 8.230 nan 0.000 0.548 594 S N 0.823 116.497 115.700 -0.044 0.000 2.488 594 S HA 0.433 4.903 4.470 -0.000 0.000 0.278 594 S C 1.196 175.635 174.600 -0.268 0.000 1.259 594 S CA 0.396 58.531 58.200 -0.108 0.000 1.061 594 S CB 1.037 64.184 63.200 -0.087 0.000 0.910 594 S HN 0.616 nan 8.310 nan 0.000 0.491 595 G N 1.713 110.339 108.800 -0.290 0.000 2.175 595 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.182 595 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.182 595 G C -0.088 174.409 174.900 -0.672 0.000 1.003 595 G CA -0.377 44.440 45.100 -0.471 0.000 0.666 595 G HN 0.681 nan 8.290 nan 0.000 0.506 596 Y N 1.115 121.302 120.300 -0.189 0.000 2.728 596 Y HA 0.257 4.807 4.550 -0.000 0.000 0.256 596 Y C 0.851 176.697 175.900 -0.091 0.000 1.112 596 Y CA -0.724 57.206 58.100 -0.282 0.000 1.240 596 Y CB 0.236 38.581 38.460 -0.193 0.000 1.337 596 Y HN 0.362 nan 8.280 nan 0.000 0.559 597 E N 1.712 121.948 120.200 0.060 0.000 2.708 597 E HA -0.157 4.193 4.350 -0.000 0.000 0.260 597 E C 0.156 176.825 176.600 0.115 0.000 0.937 597 E CA 0.657 57.096 56.400 0.066 0.000 0.953 597 E CB 0.201 29.922 29.700 0.035 0.000 0.915 597 E HN 0.408 nan 8.360 nan 0.000 0.487 598 N N 0.447 119.208 118.700 0.101 0.000 2.948 598 N HA -0.228 4.512 4.740 -0.000 0.000 0.239 598 N C -0.090 175.549 175.510 0.216 0.000 0.954 598 N CA 1.456 54.579 53.050 0.122 0.000 0.941 598 N CB -1.155 37.405 38.487 0.121 0.000 1.101 598 N HN 0.560 nan 8.380 nan 0.000 0.579 599 F N 0.542 120.522 119.950 0.050 0.000 2.444 599 F HA 0.532 5.059 4.527 0.000 0.000 0.263 599 F C 0.473 176.258 175.800 -0.026 0.000 0.912 599 F CA 1.080 59.112 58.000 0.054 0.000 1.122 599 F CB -0.388 38.643 39.000 0.052 0.000 1.246 599 F HN -0.025 nan 8.300 nan 0.000 0.752 600 A N 2.435 125.069 122.820 -0.311 0.000 2.252 600 A HA 0.584 4.904 4.320 -0.000 0.000 0.309 600 A C -0.955 176.526 177.584 -0.172 0.000 1.285 600 A CA -0.403 51.381 52.037 -0.421 0.000 0.900 600 A CB -0.517 18.245 19.000 -0.395 0.000 1.157 600 A HN 0.240 nan 8.150 nan 0.000 0.536 601 I N 2.448 122.915 120.570 -0.171 0.000 2.354 601 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 601 I C -0.175 175.893 176.117 -0.080 0.000 0.989 601 I CA -0.721 60.522 61.300 -0.094 0.000 1.188 601 I CB 1.454 39.398 38.000 -0.094 0.000 1.342 601 I HN 0.593 nan 8.210 nan 0.000 0.457 602 D N 5.563 125.938 120.400 -0.043 0.000 2.317 602 D HA 0.120 4.760 4.640 -0.000 0.000 0.252 602 D C 0.053 176.342 176.300 -0.019 0.000 1.174 602 D CA 0.208 54.193 54.000 -0.025 0.000 0.866 602 D CB 1.578 42.378 40.800 -0.000 0.000 1.127 602 D HN 0.283 nan 8.370 nan 0.000 0.467 603 V N 3.516 123.414 119.914 -0.026 0.000 3.078 603 V HA 0.049 4.169 4.120 -0.000 0.000 0.344 603 V C 1.303 177.409 176.094 0.020 0.000 1.409 603 V CA 0.109 62.398 62.300 -0.019 0.000 1.146 603 V CB 0.067 31.826 31.823 -0.106 0.000 1.126 603 V HN 0.551 nan 8.190 nan 0.000 0.513 604 S N 1.185 116.899 115.700 0.024 0.000 2.423 604 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 604 S C 1.467 176.094 174.600 0.044 0.000 1.014 604 S CA 1.230 59.447 58.200 0.029 0.000 0.965 604 S CB -0.142 63.079 63.200 0.035 0.000 0.785 604 S HN 0.706 nan 8.310 nan 0.000 0.495 605 N N 0.219 118.955 118.700 0.060 0.000 2.235 605 N HA 0.134 4.874 4.740 -0.000 0.000 0.209 605 N C -0.474 175.080 175.510 0.073 0.000 1.122 605 N CA -0.085 52.992 53.050 0.045 0.000 0.845 605 N CB 0.175 38.675 38.487 0.021 0.000 1.004 605 N HN 0.410 nan 8.380 nan 0.000 0.499 606 Y N 2.682 122.972 120.300 -0.016 0.000 2.526 606 Y HA -0.026 4.524 4.550 0.000 0.000 0.330 606 Y C 1.479 177.380 175.900 0.001 0.000 1.156 606 Y CA 0.014 58.115 58.100 0.001 0.000 1.419 606 Y CB 0.505 38.959 38.460 -0.011 0.000 1.250 606 Y HN -0.010 nan 8.280 nan 0.000 0.540 607 N N 2.678 121.196 118.700 -0.304 0.000 2.043 607 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 607 N C -0.210 175.302 175.510 0.004 0.000 1.037 607 N CA 1.557 54.520 53.050 -0.145 0.000 0.851 607 N CB -0.206 38.156 38.487 -0.208 0.000 1.027 607 N HN 0.648 nan 8.380 nan 0.000 0.422 608 D N 0.451 120.891 120.400 0.066 0.000 2.414 608 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 608 D C 0.440 176.902 176.300 0.270 0.000 1.070 608 D CA -0.278 53.849 54.000 0.212 0.000 0.839 608 D CB 2.172 43.104 40.800 0.220 0.000 1.079 608 D HN -0.227 nan 8.370 nan 0.000 0.521 609 V N 3.543 123.519 119.914 0.103 0.000 2.809 609 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 609 V C 1.998 177.911 176.094 -0.301 0.000 1.080 609 V CA 1.506 63.716 62.300 -0.150 0.000 1.102 609 V CB 0.116 31.812 31.823 -0.211 0.000 0.705 609 V HN 0.488 nan 8.190 nan 0.000 0.475 610 S N -0.304 115.405 115.700 0.016 0.000 2.383 610 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 610 S C 1.767 176.466 174.600 0.165 0.000 1.026 610 S CA 1.644 59.941 58.200 0.161 0.000 0.981 610 S CB -0.164 63.159 63.200 0.205 0.000 0.818 610 S HN 0.721 nan 8.310 nan 0.000 0.472 611 E N 0.856 121.154 120.200 0.164 0.000 2.077 611 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 611 E C 1.913 178.493 176.600 -0.033 0.000 0.989 611 E CA 0.919 57.390 56.400 0.118 0.000 0.800 611 E CB -0.219 29.602 29.700 0.203 0.000 0.746 611 E HN 0.418 nan 8.360 nan 0.000 0.452 612 L N -0.096 121.016 121.223 -0.186 0.000 2.131 612 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 612 L C 2.069 178.900 176.870 -0.065 0.000 1.092 612 L CA 0.661 55.333 54.840 -0.280 0.000 0.759 612 L CB -0.300 41.497 42.059 -0.436 0.000 0.903 612 L HN 0.133 nan 8.230 nan 0.000 0.435 613 F N -0.186 119.820 119.950 0.092 0.000 2.259 613 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 613 F C 2.247 178.193 175.800 0.245 0.000 1.088 613 F CA 0.791 58.929 58.000 0.230 0.000 1.358 613 F CB -0.741 38.458 39.000 0.332 0.000 1.040 613 F HN -0.051 nan 8.300 nan 0.000 0.505 614 L N 0.203 121.620 121.223 0.324 0.000 2.201 614 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 614 L C 2.086 179.051 176.870 0.158 0.000 1.105 614 L CA 0.975 55.950 54.840 0.224 0.000 0.775 614 L CB -0.432 41.739 42.059 0.186 0.000 0.913 614 L HN 0.205 nan 8.230 nan 0.000 0.440 615 I N -5.394 115.246 120.570 0.117 0.000 3.956 615 I HA 0.164 4.334 4.170 -0.000 0.000 0.333 615 I C 0.508 176.686 176.117 0.102 0.000 1.302 615 I CA -0.114 61.228 61.300 0.070 0.000 1.122 615 I CB 0.282 38.279 38.000 -0.005 0.000 1.013 615 I HN -0.096 nan 8.210 nan 0.000 0.405 616 S N 2.158 117.970 115.700 0.186 0.000 2.513 616 S HA 0.212 4.682 4.470 -0.000 0.000 0.276 616 S C 0.507 175.276 174.600 0.283 0.000 1.254 616 S CA -0.459 57.864 58.200 0.205 0.000 1.053 616 S CB 1.309 64.629 63.200 0.199 0.000 0.958 616 S HN 0.306 nan 8.310 nan 0.000 0.491 617 D N 0.780 121.310 120.400 0.217 0.000 2.346 617 D HA 0.130 4.770 4.640 -0.000 0.000 0.206 617 D C 0.579 177.039 176.300 0.266 0.000 1.001 617 D CA 0.547 54.680 54.000 0.221 0.000 0.871 617 D CB 0.353 41.265 40.800 0.187 0.000 0.943 617 D HN 0.658 nan 8.370 nan 0.000 0.518 618 C N -1.137 118.302 119.300 0.233 0.000 3.307 618 C HA 0.630 5.090 4.460 -0.000 0.000 0.333 618 C C -1.229 173.700 174.990 -0.102 0.000 1.291 618 C CA -1.258 57.874 59.018 0.190 0.000 1.273 618 C CB 1.024 28.896 27.740 0.219 0.000 1.580 618 C HN 0.073 nan 8.230 nan 0.000 0.481 619 L N 2.343 123.378 121.223 -0.313 0.000 2.313 619 L HA 0.704 5.044 4.340 -0.000 0.000 0.283 619 L C -0.862 175.860 176.870 -0.248 0.000 1.013 619 L CA -0.827 53.734 54.840 -0.465 0.000 0.816 619 L CB 1.328 42.845 42.059 -0.903 0.000 1.236 619 L HN 0.792 nan 8.230 nan 0.000 0.419 620 I N 4.283 124.779 120.570 -0.124 0.000 2.339 620 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 620 I C 0.137 176.268 176.117 0.024 0.000 0.994 620 I CA 0.055 61.330 61.300 -0.041 0.000 1.191 620 I CB 1.840 39.851 38.000 0.019 0.000 1.343 620 I HN 0.560 nan 8.210 nan 0.000 0.458 621 T N 2.900 117.375 114.554 -0.132 0.000 2.618 621 T HA 0.423 4.773 4.350 -0.000 0.000 0.293 621 T C -0.814 173.893 174.700 0.012 0.000 1.093 621 T CA -0.227 61.833 62.100 -0.068 0.000 1.061 621 T CB 1.650 70.451 68.868 -0.112 0.000 1.498 621 T HN 0.734 nan 8.240 nan 0.000 0.494 622 D N -0.845 119.544 120.400 -0.018 0.000 3.000 622 D HA 0.196 4.836 4.640 -0.000 0.000 0.190 622 D C -0.599 175.684 176.300 -0.028 0.000 1.503 622 D CA 0.103 54.002 54.000 -0.167 0.000 1.496 622 D CB 0.040 40.346 40.800 -0.823 0.000 1.163 622 D HN 0.570 nan 8.370 nan 0.000 0.231 623 Y N 0.511 120.954 120.300 0.238 0.000 2.944 623 Y HA 0.699 5.249 4.550 -0.000 0.000 0.335 623 Y C -0.107 175.877 175.900 0.141 0.000 1.075 623 Y CA -0.947 57.287 58.100 0.224 0.000 1.240 623 Y CB 1.157 39.767 38.460 0.250 0.000 1.167 623 Y HN 0.019 nan 8.280 nan 0.000 0.555 624 S N 0.428 116.238 115.700 0.184 0.000 2.549 624 S HA 0.207 4.677 4.470 -0.000 0.000 0.280 624 S C 0.758 175.420 174.600 0.104 0.000 1.109 624 S CA -0.572 57.716 58.200 0.147 0.000 0.905 624 S CB 1.730 65.001 63.200 0.119 0.000 1.081 624 S HN 0.526 nan 8.310 nan 0.000 0.477 625 S N 2.419 118.253 115.700 0.224 0.000 2.595 625 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 625 S C 1.558 176.338 174.600 0.300 0.000 0.974 625 S CA 1.431 59.849 58.200 0.363 0.000 0.942 625 S CB -0.754 62.681 63.200 0.391 0.000 0.766 625 S HN 0.788 nan 8.310 nan 0.000 0.536 626 V N 0.728 120.751 119.914 0.182 0.000 2.649 626 V HA -0.036 4.084 4.120 -0.000 0.000 0.248 626 V C 2.445 178.557 176.094 0.030 0.000 1.054 626 V CA 1.238 63.646 62.300 0.181 0.000 1.073 626 V CB -1.391 30.594 31.823 0.271 0.000 0.699 626 V HN 0.697 nan 8.190 nan 0.000 0.463 627 M N -0.450 119.111 119.600 -0.066 0.000 2.195 627 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 627 M C 2.047 178.364 176.300 0.029 0.000 1.066 627 M CA 2.233 57.465 55.300 -0.112 0.000 1.089 627 M CB -1.165 31.352 32.600 -0.137 0.000 1.377 627 M HN 0.277 nan 8.290 nan 0.000 0.411 628 F N 1.630 121.715 119.950 0.225 0.000 2.293 628 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 628 F C 2.181 178.093 175.800 0.186 0.000 1.086 628 F CA 1.047 59.170 58.000 0.206 0.000 1.375 628 F CB -0.810 38.217 39.000 0.045 0.000 1.045 628 F HN 0.284 nan 8.300 nan 0.000 0.516 629 D N -1.332 119.235 120.400 0.279 0.000 2.149 629 D HA -0.185 4.455 4.640 -0.000 0.000 0.206 629 D C 1.934 178.244 176.300 0.016 0.000 0.967 629 D CA 0.971 55.082 54.000 0.184 0.000 0.848 629 D CB -0.604 40.323 40.800 0.213 0.000 0.998 629 D HN 0.275 nan 8.370 nan 0.000 0.474 630 Y N 2.094 122.162 120.300 -0.388 0.000 2.569 630 Y HA -0.029 4.521 4.550 -0.000 0.000 0.293 630 Y C 2.133 177.959 175.900 -0.122 0.000 1.144 630 Y CA 1.012 58.815 58.100 -0.496 0.000 1.321 630 Y CB -0.332 37.701 38.460 -0.712 0.000 0.982 630 Y HN -0.088 nan 8.280 nan 0.000 0.558 631 G N 0.192 109.024 108.800 0.053 0.000 2.422 631 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 631 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 631 G C 1.694 176.720 174.900 0.209 0.000 1.140 631 G CA 0.978 46.194 45.100 0.193 0.000 0.775 631 G HN 0.500 nan 8.290 nan 0.000 0.545 632 I N 0.478 121.134 120.570 0.143 0.000 2.399 632 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 632 I C 2.073 178.312 176.117 0.204 0.000 1.146 632 I CA 0.810 62.239 61.300 0.215 0.000 1.412 632 I CB -0.071 38.006 38.000 0.129 0.000 1.076 632 I HN 0.144 nan 8.210 nan 0.000 0.432 633 L N 0.094 121.294 121.223 -0.038 0.000 2.591 633 L HA 0.069 4.409 4.340 -0.000 0.000 0.228 633 L C 0.754 177.546 176.870 -0.129 0.000 1.133 633 L CA 0.111 54.879 54.840 -0.120 0.000 0.880 633 L CB -0.393 41.496 42.059 -0.284 0.000 1.033 633 L HN 0.145 nan 8.230 nan 0.000 0.450 634 K N 0.551 120.912 120.400 -0.065 0.000 3.035 634 K HA -0.213 4.107 4.320 -0.000 0.000 0.262 634 K C 0.218 176.763 176.600 -0.092 0.000 1.024 634 K CA 0.559 56.809 56.287 -0.061 0.000 0.748 634 K CB -0.937 31.486 32.500 -0.129 0.000 1.247 634 K HN 0.278 nan 8.250 nan 0.000 0.482 635 R N -0.005 120.391 120.500 -0.173 0.000 2.691 635 R HA 0.381 4.721 4.340 -0.000 0.000 0.259 635 R C -2.463 173.822 176.300 -0.024 0.000 1.048 635 R CA -1.992 54.053 56.100 -0.091 0.000 1.086 635 R CB 0.560 30.788 30.300 -0.119 0.000 1.166 635 R HN -0.149 nan 8.270 nan 0.000 0.526 636 P HA 0.102 nan 4.420 nan 0.000 0.275 636 P C -1.291 175.929 177.300 -0.132 0.000 1.227 636 P CA -0.124 62.922 63.100 -0.091 0.000 0.781 636 P CB 0.831 32.498 31.700 -0.056 0.000 0.906 637 Q N 1.579 121.148 119.800 -0.386 0.000 2.387 637 Q HA 0.607 4.947 4.340 -0.000 0.000 0.273 637 Q C -1.089 174.395 176.000 -0.860 0.000 1.089 637 Q CA -0.552 54.953 55.803 -0.497 0.000 0.824 637 Q CB 1.910 30.363 28.738 -0.475 0.000 1.367 637 Q HN 0.341 nan 8.270 nan 0.000 0.443 638 F N 0.772 120.346 119.950 -0.625 0.000 2.551 638 F HA 0.522 5.049 4.527 -0.000 0.000 0.316 638 F C -0.818 174.553 175.800 -0.715 0.000 1.089 638 F CA -0.732 57.012 58.000 -0.427 0.000 0.915 638 F CB 1.377 40.260 39.000 -0.195 0.000 1.186 638 F HN 0.381 nan 8.300 nan 0.000 0.456 639 F N 3.118 123.194 119.950 0.209 0.000 2.445 639 F HA 0.301 4.828 4.527 -0.000 0.000 0.348 639 F C -0.402 175.593 175.800 0.324 0.000 1.125 639 F CA -0.752 57.353 58.000 0.174 0.000 0.983 639 F CB 1.159 40.179 39.000 0.033 0.000 1.198 639 F HN 0.377 nan 8.300 nan 0.000 0.436 640 F N 3.733 123.820 119.950 0.228 0.000 2.467 640 F HA 0.594 5.121 4.527 0.000 0.000 0.349 640 F C 0.376 176.304 175.800 0.213 0.000 1.182 640 F CA -0.737 57.397 58.000 0.223 0.000 1.279 640 F CB 0.067 39.147 39.000 0.133 0.000 1.626 640 F HN 0.550 nan 8.300 nan 0.000 0.596 641 A N 5.073 127.926 122.820 0.055 0.000 3.037 641 A HA 0.099 4.419 4.320 -0.000 0.000 0.272 641 A C 0.575 178.002 177.584 -0.262 0.000 1.723 641 A CA -0.510 51.427 52.037 -0.165 0.000 1.413 641 A CB -1.127 17.939 19.000 0.110 0.000 1.112 641 A HN 0.935 nan 8.150 nan 0.000 0.606 642 Y N 0.636 120.581 120.300 -0.593 0.000 2.242 642 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 642 Y C 1.204 176.984 175.900 -0.200 0.000 1.137 642 Y CA 0.891 58.725 58.100 -0.444 0.000 1.181 642 Y CB -0.375 37.684 38.460 -0.669 0.000 0.989 642 Y HN 0.531 nan 8.280 nan 0.000 0.527 643 D N 0.622 120.572 120.400 -0.750 0.000 2.370 643 D HA -0.023 4.617 4.640 -0.000 0.000 0.230 643 D C 1.438 177.565 176.300 -0.288 0.000 1.143 643 D CA -0.128 53.617 54.000 -0.425 0.000 0.834 643 D CB -0.849 39.644 40.800 -0.512 0.000 0.944 643 D HN 0.605 nan 8.370 nan 0.000 0.504 644 I N 0.135 120.577 120.570 -0.213 0.000 2.567 644 I HA -0.250 3.920 4.170 -0.000 0.000 0.257 644 I C 0.545 176.601 176.117 -0.102 0.000 1.184 644 I CA 1.150 62.360 61.300 -0.150 0.000 1.451 644 I CB 0.232 38.204 38.000 -0.047 0.000 1.089 644 I HN -0.180 nan 8.210 nan 0.000 0.441 645 D N 0.540 120.900 120.400 -0.065 0.000 2.194 645 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 645 D C 2.100 178.382 176.300 -0.030 0.000 0.964 645 D CA 0.739 54.717 54.000 -0.037 0.000 0.846 645 D CB 0.115 40.906 40.800 -0.016 0.000 0.962 645 D HN 0.222 nan 8.370 nan 0.000 0.490 646 K N 0.091 120.476 120.400 -0.024 0.000 2.020 646 K HA -0.157 4.163 4.320 -0.000 0.000 0.212 646 K C 0.417 177.042 176.600 0.042 0.000 1.050 646 K CA 0.777 57.071 56.287 0.013 0.000 0.929 646 K CB -0.337 32.185 32.500 0.037 0.000 0.714 646 K HN 0.214 nan 8.250 nan 0.000 0.443 647 Y N 2.660 122.824 120.300 -0.227 0.000 3.040 647 Y HA -0.108 4.442 4.550 0.000 0.000 0.356 647 Y C -0.176 175.539 175.900 -0.309 0.000 1.096 647 Y CA 0.035 57.941 58.100 -0.322 0.000 2.058 647 Y CB -1.569 36.581 38.460 -0.517 0.000 2.215 647 Y HN 0.239 nan 8.280 nan 0.000 0.404 648 D N -0.213 120.095 120.400 -0.154 0.000 3.041 648 D HA -0.307 4.333 4.640 -0.000 0.000 0.220 648 D C 1.040 177.255 176.300 -0.143 0.000 1.157 648 D CA 1.083 54.975 54.000 -0.180 0.000 0.876 648 D CB -0.729 39.910 40.800 -0.269 0.000 1.107 648 D HN 0.633 nan 8.370 nan 0.000 0.422 649 K N -3.388 116.947 120.400 -0.107 0.000 9.641 649 K HA -0.291 4.029 4.320 -0.000 0.000 0.509 649 K C 1.449 177.999 176.600 -0.083 0.000 0.371 649 K CA 2.204 58.444 56.287 -0.079 0.000 1.955 649 K CB -1.896 30.567 32.500 -0.062 0.000 0.718 649 K HN 0.361 nan 8.250 nan 0.000 1.078 650 G N 0.933 109.674 108.800 -0.098 0.000 3.104 650 G HA2 0.318 4.278 3.960 -0.000 0.000 0.237 650 G HA3 0.318 4.278 3.960 -0.000 0.000 0.237 650 G C 0.289 175.109 174.900 -0.133 0.000 1.035 650 G CA 0.152 45.200 45.100 -0.085 0.000 0.844 650 G HN 0.299 nan 8.290 nan 0.000 0.531 651 L N 1.001 122.102 121.223 -0.202 0.000 4.476 651 L HA -0.243 4.097 4.340 -0.000 0.000 0.566 651 L C 1.186 177.910 176.870 -0.242 0.000 0.970 651 L CA 0.267 54.926 54.840 -0.301 0.000 0.619 651 L CB 0.243 41.984 42.059 -0.530 0.000 0.546 651 L HN 0.292 nan 8.230 nan 0.000 1.084 652 R N 3.286 123.697 120.500 -0.148 0.000 2.317 652 R HA 0.126 4.466 4.340 -0.000 0.000 0.208 652 R C 1.768 178.033 176.300 -0.058 0.000 0.914 652 R CA 0.564 56.630 56.100 -0.056 0.000 1.060 652 R CB 0.213 30.495 30.300 -0.030 0.000 1.015 652 R HN 0.810 nan 8.270 nan 0.000 0.498 653 G N 0.437 109.146 108.800 -0.152 0.000 3.028 653 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.205 653 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.205 653 G C -0.291 174.658 174.900 0.082 0.000 1.182 653 G CA 0.291 45.315 45.100 -0.127 0.000 0.860 653 G HN 0.030 nan 8.290 nan 0.000 0.507 654 F N -1.562 118.310 119.950 -0.129 0.000 2.546 654 F HA 0.518 5.045 4.527 -0.000 0.000 0.320 654 F C 0.590 176.388 175.800 -0.003 0.000 1.076 654 F CA -2.475 55.483 58.000 -0.071 0.000 0.928 654 F CB 1.548 40.594 39.000 0.077 0.000 1.189 654 F HN -0.049 nan 8.300 nan 0.000 0.465 655 Y N 0.803 121.297 120.300 0.322 0.000 2.243 655 Y HA -0.048 4.502 4.550 -0.000 0.000 0.293 655 Y C 1.077 177.185 175.900 0.347 0.000 1.124 655 Y CA 0.768 59.015 58.100 0.246 0.000 1.159 655 Y CB -0.363 38.194 38.460 0.162 0.000 1.008 655 Y HN 0.455 nan 8.280 nan 0.000 0.527 656 M N -1.492 118.446 119.600 0.562 0.000 2.649 656 M HA 0.353 4.833 4.480 -0.000 0.000 0.294 656 M C -0.161 176.366 176.300 0.379 0.000 1.206 656 M CA -0.535 55.028 55.300 0.438 0.000 0.928 656 M CB 0.687 33.506 32.600 0.365 0.000 1.571 656 M HN -0.188 nan 8.290 nan 0.000 0.501 657 N N 0.736 119.609 118.700 0.289 0.000 2.645 657 N HA 0.096 4.836 4.740 -0.000 0.000 0.233 657 N C -0.356 175.307 175.510 0.255 0.000 1.058 657 N CA -0.025 53.176 53.050 0.253 0.000 0.942 657 N CB 0.275 38.866 38.487 0.172 0.000 1.210 657 N HN 0.816 nan 8.380 nan 0.000 0.512 658 Y N 3.303 123.728 120.300 0.208 0.000 2.114 658 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 658 Y C 2.020 177.958 175.900 0.064 0.000 1.165 658 Y CA 1.808 60.005 58.100 0.163 0.000 1.148 658 Y CB 0.206 38.841 38.460 0.291 0.000 0.972 658 Y HN 0.475 nan 8.280 nan 0.000 0.504 659 M N -0.218 119.545 119.600 0.272 0.000 2.267 659 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 659 M C 1.857 178.198 176.300 0.067 0.000 1.063 659 M CA 1.654 57.050 55.300 0.160 0.000 1.090 659 M CB -0.520 32.161 32.600 0.135 0.000 1.392 659 M HN 0.290 nan 8.290 nan 0.000 0.422 660 E N -0.209 120.031 120.200 0.067 0.000 2.152 660 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 660 E C -0.271 176.356 176.600 0.045 0.000 0.934 660 E CA 0.739 57.174 56.400 0.057 0.000 0.869 660 E CB 0.422 30.167 29.700 0.075 0.000 0.842 660 E HN 0.408 nan 8.360 nan 0.000 0.472 661 D N 1.325 121.760 120.400 0.057 0.000 2.607 661 D HA 0.182 4.822 4.640 -0.000 0.000 0.318 661 D C -0.177 176.202 176.300 0.132 0.000 1.212 661 D CA -0.360 53.703 54.000 0.106 0.000 0.861 661 D CB -0.262 40.626 40.800 0.147 0.000 1.064 661 D HN 0.221 nan 8.370 nan 0.000 0.500 662 L N -2.990 118.201 121.223 -0.052 0.000 2.309 662 L HA 0.769 5.109 4.340 -0.000 0.000 0.261 662 L C -2.255 174.491 176.870 -0.208 0.000 1.021 662 L CA -2.514 52.209 54.840 -0.195 0.000 0.823 662 L CB 2.295 43.883 42.059 -0.786 0.000 1.366 662 L HN -0.355 nan 8.230 nan 0.000 0.423 663 P HA 0.202 nan 4.420 nan 0.000 0.249 663 P C 0.210 177.376 177.300 -0.224 0.000 1.241 663 P CA 0.270 63.230 63.100 -0.233 0.000 0.781 663 P CB 0.359 31.752 31.700 -0.511 0.000 1.088 664 G N -0.413 108.265 108.800 -0.204 0.000 2.682 664 G HA2 0.541 4.501 3.960 -0.000 0.000 0.290 664 G HA3 0.541 4.501 3.960 -0.000 0.000 0.290 664 G C -3.413 171.266 174.900 -0.369 0.000 1.425 664 G CA -1.649 43.122 45.100 -0.549 0.000 0.807 664 G HN -0.339 nan 8.290 nan 0.000 0.482 665 P HA 0.321 nan 4.420 nan 0.000 0.271 665 P C -0.280 177.058 177.300 0.064 0.000 1.216 665 P CA -0.159 62.865 63.100 -0.127 0.000 0.776 665 P CB 0.809 32.454 31.700 -0.091 0.000 0.881 666 I N 3.595 124.174 120.570 0.015 0.000 2.337 666 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 666 I C 0.055 176.197 176.117 0.042 0.000 1.046 666 I CA -0.330 61.057 61.300 0.144 0.000 1.324 666 I CB -0.108 37.989 38.000 0.161 0.000 1.409 666 I HN 0.294 nan 8.210 nan 0.000 0.494 667 Y N 3.560 124.042 120.300 0.303 0.000 2.387 667 Y HA 0.224 4.774 4.550 -0.000 0.000 0.330 667 Y C 1.490 177.595 175.900 0.342 0.000 1.133 667 Y CA -0.474 57.799 58.100 0.287 0.000 1.152 667 Y CB 1.782 40.389 38.460 0.243 0.000 1.215 667 Y HN 0.592 nan 8.280 nan 0.000 0.466 668 T N -2.662 112.149 114.554 0.428 0.000 3.044 668 T HA 0.137 4.487 4.350 -0.000 0.000 0.260 668 T C -0.089 174.875 174.700 0.440 0.000 1.019 668 T CA -0.197 62.100 62.100 0.328 0.000 0.921 668 T CB 0.154 69.135 68.868 0.188 0.000 1.053 668 T HN 0.587 nan 8.240 nan 0.000 0.533 669 E N 1.884 122.385 120.200 0.503 0.000 2.292 669 E HA 0.278 4.628 4.350 -0.000 0.000 0.272 669 E C -2.543 174.056 176.600 -0.000 0.000 0.881 669 E CA -2.102 54.507 56.400 0.347 0.000 0.754 669 E CB 2.587 32.454 29.700 0.279 0.000 1.201 669 E HN -0.087 nan 8.360 nan 0.000 0.425 670 P HA -0.099 nan 4.420 nan 0.000 0.222 670 P C 0.681 177.454 177.300 -0.878 0.000 1.147 670 P CA 0.957 63.426 63.100 -1.051 0.000 0.790 670 P CB 0.044 30.999 31.700 -1.241 0.000 0.780 671 Y N 0.320 120.488 120.300 -0.219 0.000 2.337 671 Y HA 0.133 4.683 4.550 0.000 0.000 0.293 671 Y C 2.906 178.682 175.900 -0.208 0.000 1.123 671 Y CA 1.112 59.099 58.100 -0.189 0.000 1.201 671 Y CB -1.598 36.808 38.460 -0.090 0.000 1.011 671 Y HN -0.038 nan 8.280 nan 0.000 0.545 672 G N 0.037 108.789 108.800 -0.081 0.000 2.403 672 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 672 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 672 G C 1.700 176.213 174.900 -0.644 0.000 1.154 672 G CA 0.435 45.467 45.100 -0.114 0.000 0.784 672 G HN 0.355 nan 8.290 nan 0.000 0.538 673 L N 0.475 121.039 121.223 -1.099 0.000 2.046 673 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 673 L C 3.222 179.601 176.870 -0.819 0.000 1.077 673 L CA 1.505 55.578 54.840 -1.279 0.000 0.747 673 L CB -0.325 41.083 42.059 -1.086 0.000 0.896 673 L HN 0.337 nan 8.230 nan 0.000 0.432 674 A N -0.236 122.234 122.820 -0.583 0.000 1.873 674 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 674 A C 2.182 179.590 177.584 -0.292 0.000 1.186 674 A CA 1.298 53.086 52.037 -0.415 0.000 0.616 674 A CB -0.330 18.503 19.000 -0.279 0.000 0.823 674 A HN 0.254 nan 8.150 nan 0.000 0.442 675 K N -0.063 120.215 120.400 -0.203 0.000 2.044 675 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 675 K C 1.860 178.402 176.600 -0.096 0.000 1.049 675 K CA 1.883 58.107 56.287 -0.104 0.000 0.927 675 K CB -0.614 31.861 32.500 -0.040 0.000 0.713 675 K HN 0.631 nan 8.250 nan 0.000 0.443 676 E N 0.701 120.819 120.200 -0.138 0.000 2.085 676 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 676 E C 1.806 178.365 176.600 -0.068 0.000 0.994 676 E CA 0.798 57.179 56.400 -0.032 0.000 0.801 676 E CB -0.134 29.578 29.700 0.019 0.000 0.743 676 E HN 0.002 nan 8.360 nan 0.000 0.453 677 L N 0.778 121.822 121.223 -0.300 0.000 2.191 677 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 677 L C 2.105 178.912 176.870 -0.105 0.000 1.103 677 L CA 1.510 56.148 54.840 -0.335 0.000 0.769 677 L CB -1.016 40.660 42.059 -0.640 0.000 0.908 677 L HN 0.103 nan 8.230 nan 0.000 0.438 678 K N 0.451 120.825 120.400 -0.043 0.000 2.077 678 K HA -0.218 4.102 4.320 -0.000 0.000 0.213 678 K C 0.827 177.536 176.600 0.182 0.000 1.051 678 K CA 1.479 57.823 56.287 0.094 0.000 0.929 678 K CB -0.162 32.362 32.500 0.041 0.000 0.715 678 K HN 0.255 nan 8.250 nan 0.000 0.451 679 N N 0.159 118.942 118.700 0.138 0.000 2.682 679 N HA 0.111 4.851 4.740 -0.000 0.000 0.252 679 N C 0.224 175.834 175.510 0.167 0.000 1.081 679 N CA -0.151 52.983 53.050 0.140 0.000 0.844 679 N CB 0.426 38.972 38.487 0.099 0.000 1.167 679 N HN 0.072 nan 8.380 nan 0.000 0.523 680 L N 0.837 122.185 121.223 0.208 0.000 2.017 680 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 680 L C 0.936 177.904 176.870 0.162 0.000 1.073 680 L CA 1.220 56.189 54.840 0.216 0.000 0.745 680 L CB -0.153 42.049 42.059 0.239 0.000 0.894 680 L HN 0.462 nan 8.230 nan 0.000 0.432 681 D N 0.045 120.518 120.400 0.121 0.000 2.203 681 D HA -0.256 4.384 4.640 -0.000 0.000 0.199 681 D C 2.043 178.400 176.300 0.094 0.000 0.997 681 D CA 1.318 55.372 54.000 0.091 0.000 0.863 681 D CB -0.080 40.759 40.800 0.065 0.000 0.928 681 D HN 0.296 nan 8.370 nan 0.000 0.458 682 K N 0.565 121.030 120.400 0.108 0.000 2.155 682 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 682 K C 1.830 178.515 176.600 0.141 0.000 1.052 682 K CA 0.556 56.907 56.287 0.106 0.000 0.948 682 K CB 0.267 32.828 32.500 0.102 0.000 0.728 682 K HN -0.039 nan 8.250 nan 0.000 0.448 683 V N 1.101 121.130 119.914 0.191 0.000 2.379 683 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 683 V C 2.431 178.656 176.094 0.219 0.000 1.044 683 V CA 1.779 64.236 62.300 0.261 0.000 1.036 683 V CB -0.648 31.349 31.823 0.291 0.000 0.664 683 V HN 0.371 nan 8.190 nan 0.000 0.453 684 Q N 0.681 120.568 119.800 0.144 0.000 2.077 684 Q HA -0.274 4.066 4.340 -0.000 0.000 0.206 684 Q C 2.245 178.300 176.000 0.092 0.000 0.989 684 Q CA 2.299 58.163 55.803 0.102 0.000 0.853 684 Q CB -0.337 28.448 28.738 0.078 0.000 0.907 684 Q HN 0.730 nan 8.270 nan 0.000 0.418 685 Q N -0.523 119.322 119.800 0.076 0.000 2.016 685 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 685 Q C 2.217 178.230 176.000 0.022 0.000 0.978 685 Q CA 1.458 57.288 55.803 0.044 0.000 0.833 685 Q CB -0.221 28.537 28.738 0.033 0.000 0.895 685 Q HN 0.503 nan 8.270 nan 0.000 0.427 686 Q N -0.437 119.374 119.800 0.020 0.000 2.248 686 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 686 Q C 0.431 176.260 176.000 -0.284 0.000 0.984 686 Q CA 1.360 57.097 55.803 -0.110 0.000 0.875 686 Q CB 0.190 28.878 28.738 -0.082 0.000 0.910 686 Q HN 0.434 nan 8.270 nan 0.000 0.433 687 Y N -1.905 118.393 120.300 -0.003 0.000 2.588 687 Y HA 0.099 4.649 4.550 0.000 0.000 0.247 687 Y C 1.563 177.456 175.900 -0.012 0.000 1.157 687 Y CA -0.356 57.733 58.100 -0.018 0.000 1.215 687 Y CB 0.634 39.060 38.460 -0.057 0.000 1.245 687 Y HN 0.062 nan 8.280 nan 0.000 0.534 688 Q N 1.203 121.064 119.800 0.101 0.000 2.112 688 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 688 Q C 1.855 177.893 176.000 0.063 0.000 0.987 688 Q CA 1.993 57.836 55.803 0.066 0.000 0.858 688 Q CB 0.016 28.774 28.738 0.034 0.000 0.905 688 Q HN 0.330 nan 8.270 nan 0.000 0.420 689 E N 0.176 120.404 120.200 0.046 0.000 2.038 689 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 689 E C 1.909 178.561 176.600 0.087 0.000 1.000 689 E CA 1.351 57.779 56.400 0.047 0.000 0.803 689 E CB -0.077 29.633 29.700 0.016 0.000 0.750 689 E HN 0.406 nan 8.360 nan 0.000 0.448 690 K N 0.161 120.633 120.400 0.120 0.000 2.155 690 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 690 K C 2.315 179.026 176.600 0.186 0.000 1.052 690 K CA 0.425 56.810 56.287 0.163 0.000 0.948 690 K CB -0.049 32.579 32.500 0.214 0.000 0.728 690 K HN 0.090 nan 8.250 nan 0.000 0.448 691 I N 1.466 122.127 120.570 0.151 0.000 2.208 691 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 691 I C 1.681 177.936 176.117 0.231 0.000 1.097 691 I CA 1.268 62.649 61.300 0.135 0.000 1.363 691 I CB -0.218 37.824 38.000 0.070 0.000 1.051 691 I HN 0.162 nan 8.210 nan 0.000 0.413 692 D N 0.987 121.488 120.400 0.169 0.000 2.084 692 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 692 D C 2.280 178.714 176.300 0.224 0.000 0.985 692 D CA 1.611 55.711 54.000 0.167 0.000 0.826 692 D CB -0.352 40.495 40.800 0.078 0.000 0.978 692 D HN 0.304 nan 8.370 nan 0.000 0.456 693 A N 0.444 123.372 122.820 0.181 0.000 1.927 693 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 693 A C 2.192 179.897 177.584 0.202 0.000 1.185 693 A CA 1.519 53.648 52.037 0.153 0.000 0.639 693 A CB -1.166 17.911 19.000 0.129 0.000 0.820 693 A HN 0.327 nan 8.150 nan 0.000 0.451 694 F N -1.574 118.472 119.950 0.160 0.000 2.206 694 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 694 F C 2.111 178.085 175.800 0.291 0.000 1.090 694 F CA 1.727 59.886 58.000 0.265 0.000 1.323 694 F CB -0.263 38.876 39.000 0.231 0.000 1.028 694 F HN 0.376 nan 8.300 nan 0.000 0.492 695 Y N 1.039 121.567 120.300 0.380 0.000 2.242 695 Y HA -0.213 4.337 4.550 0.000 0.000 0.291 695 Y C 2.067 178.011 175.900 0.073 0.000 1.137 695 Y CA 1.892 60.136 58.100 0.239 0.000 1.181 695 Y CB -0.512 38.047 38.460 0.166 0.000 0.989 695 Y HN 0.035 nan 8.280 nan 0.000 0.527 696 D N 0.103 120.621 120.400 0.197 0.000 2.084 696 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 696 D C 2.169 178.348 176.300 -0.201 0.000 0.985 696 D CA 1.554 55.575 54.000 0.035 0.000 0.826 696 D CB -0.448 40.379 40.800 0.045 0.000 0.978 696 D HN 0.346 nan 8.370 nan 0.000 0.456 697 R N -0.839 119.464 120.500 -0.328 0.000 2.115 697 R HA -0.089 4.251 4.340 -0.000 0.000 0.230 697 R C 1.386 177.093 176.300 -0.988 0.000 1.111 697 R CA 1.186 56.853 56.100 -0.722 0.000 0.976 697 R CB 0.005 29.697 30.300 -1.014 0.000 0.870 697 R HN 0.154 nan 8.270 nan 0.000 0.445 698 F N -2.603 117.096 119.950 -0.418 0.000 2.699 698 F HA 0.172 4.699 4.527 -0.000 0.000 0.295 698 F C 1.522 177.119 175.800 -0.338 0.000 1.052 698 F CA -0.354 57.385 58.000 -0.435 0.000 1.239 698 F CB 0.492 39.141 39.000 -0.585 0.000 1.018 698 F HN -0.015 nan 8.300 nan 0.000 0.627 699 C N -0.219 118.925 119.300 -0.261 0.000 3.038 699 C HA 0.163 4.623 4.460 -0.000 0.000 0.279 699 C C 2.448 177.113 174.990 -0.542 0.000 1.276 699 C CA 0.303 59.101 59.018 -0.365 0.000 1.697 699 C CB -1.394 26.107 27.740 -0.399 0.000 2.032 699 C HN 0.470 nan 8.230 nan 0.000 0.636 700 S N 0.911 116.320 115.700 -0.485 0.000 2.489 700 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 700 S C 1.413 175.922 174.600 -0.152 0.000 0.995 700 S CA 0.871 58.892 58.200 -0.299 0.000 0.934 700 S CB -0.556 62.545 63.200 -0.164 0.000 0.771 700 S HN 0.402 nan 8.310 nan 0.000 0.522 701 V N 1.760 121.575 119.914 -0.164 0.000 3.141 701 V HA 0.023 4.143 4.120 -0.000 0.000 0.265 701 V C 0.679 176.711 176.094 -0.104 0.000 1.126 701 V CA 0.971 63.193 62.300 -0.130 0.000 1.141 701 V CB -0.701 31.030 31.823 -0.152 0.000 0.743 701 V HN 0.447 nan 8.190 nan 0.000 0.492 702 D N 1.102 121.450 120.400 -0.086 0.000 2.453 702 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 702 D C 0.975 177.273 176.300 -0.004 0.000 1.183 702 D CA -0.021 53.953 54.000 -0.043 0.000 0.933 702 D CB 0.563 41.354 40.800 -0.014 0.000 1.038 702 D HN 0.122 nan 8.370 nan 0.000 0.513 703 N N 1.715 120.405 118.700 -0.016 0.000 2.091 703 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 703 N C 1.526 177.053 175.510 0.030 0.000 1.021 703 N CA 1.509 54.562 53.050 0.005 0.000 0.862 703 N CB 0.013 38.494 38.487 -0.009 0.000 1.018 703 N HN 0.699 nan 8.380 nan 0.000 0.429 704 G N -0.556 108.263 108.800 0.031 0.000 2.141 704 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.242 704 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.242 704 G C 0.826 175.754 174.900 0.046 0.000 0.982 704 G CA 0.639 45.768 45.100 0.048 0.000 0.662 704 G HN 0.437 nan 8.290 nan 0.000 0.527 705 K N -0.238 120.178 120.400 0.026 0.000 2.373 705 K HA 0.589 4.909 4.320 -0.000 0.000 0.200 705 K C 2.600 179.202 176.600 0.004 0.000 1.054 705 K CA 0.615 56.914 56.287 0.020 0.000 1.065 705 K CB 0.289 32.805 32.500 0.027 0.000 0.886 705 K HN 0.373 nan 8.250 nan 0.000 0.546 706 A N 1.728 124.552 122.820 0.005 0.000 1.884 706 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 706 A C 2.121 179.723 177.584 0.030 0.000 1.197 706 A CA 2.570 54.616 52.037 0.015 0.000 0.637 706 A CB -0.872 18.138 19.000 0.017 0.000 0.827 706 A HN 0.346 nan 8.150 nan 0.000 0.450 707 S N -0.316 115.407 115.700 0.037 0.000 2.442 707 S HA -0.246 4.224 4.470 -0.000 0.000 0.236 707 S C 1.958 176.369 174.600 -0.315 0.000 1.007 707 S CA 1.413 59.635 58.200 0.037 0.000 0.965 707 S CB -0.416 62.915 63.200 0.218 0.000 0.773 707 S HN 0.796 nan 8.310 nan 0.000 0.504 708 Q N 0.327 119.824 119.800 -0.505 0.000 2.049 708 Q HA -0.148 4.192 4.340 -0.000 0.000 0.198 708 Q C 2.011 177.708 176.000 -0.505 0.000 0.971 708 Q CA 1.009 56.161 55.803 -1.084 0.000 0.833 708 Q CB -0.497 27.916 28.738 -0.541 0.000 0.896 708 Q HN 0.604 nan 8.270 nan 0.000 0.434 709 Y N 1.090 121.217 120.300 -0.288 0.000 2.081 709 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 709 Y C 1.986 177.796 175.900 -0.150 0.000 1.163 709 Y CA 2.023 60.023 58.100 -0.166 0.000 1.135 709 Y CB -0.131 38.261 38.460 -0.114 0.000 0.970 709 Y HN 0.188 nan 8.280 nan 0.000 0.498 710 I N 0.069 120.672 120.570 0.054 0.000 2.099 710 I HA -0.283 3.887 4.170 -0.000 0.000 0.239 710 I C 2.766 178.859 176.117 -0.041 0.000 1.066 710 I CA 1.757 63.057 61.300 0.000 0.000 1.324 710 I CB -2.068 35.980 38.000 0.080 0.000 1.037 710 I HN 0.421 nan 8.210 nan 0.000 0.401 711 G N 0.730 109.523 108.800 -0.011 0.000 2.550 711 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.222 711 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.222 711 G C 1.284 176.237 174.900 0.089 0.000 1.113 711 G CA 1.265 46.453 45.100 0.147 0.000 0.748 711 G HN 0.356 nan 8.290 nan 0.000 0.585 712 D N -0.315 120.075 120.400 -0.016 0.000 2.162 712 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 712 D C 2.389 178.620 176.300 -0.116 0.000 0.964 712 D CA 0.254 54.261 54.000 0.013 0.000 0.847 712 D CB -0.464 40.318 40.800 -0.030 0.000 0.988 712 D HN 0.212 nan 8.370 nan 0.000 0.480 713 L N 1.070 122.135 121.223 -0.264 0.000 2.043 713 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 713 L C 1.990 178.760 176.870 -0.168 0.000 1.075 713 L CA 1.504 56.172 54.840 -0.286 0.000 0.752 713 L CB -0.521 41.299 42.059 -0.397 0.000 0.891 713 L HN 0.007 nan 8.230 nan 0.000 0.432 714 I N -1.467 119.009 120.570 -0.157 0.000 2.286 714 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 714 I C 2.499 178.417 176.117 -0.332 0.000 1.104 714 I CA 1.307 62.441 61.300 -0.276 0.000 1.397 714 I CB -0.417 37.405 38.000 -0.295 0.000 1.072 714 I HN 0.450 nan 8.210 nan 0.000 0.417 715 H N 1.505 120.365 119.070 -0.349 0.000 2.321 715 H HA -0.214 4.342 4.556 -0.000 0.000 0.300 715 H C 2.215 177.448 175.328 -0.158 0.000 1.087 715 H CA 2.137 57.978 56.048 -0.344 0.000 1.319 715 H CB -0.065 29.333 29.762 -0.608 0.000 1.379 715 H HN 0.098 nan 8.280 nan 0.000 0.501 716 K N -0.046 120.173 120.400 -0.302 0.000 2.032 716 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 716 K C 1.847 178.328 176.600 -0.197 0.000 1.048 716 K CA 2.089 58.210 56.287 -0.277 0.000 0.927 716 K CB -0.259 32.156 32.500 -0.142 0.000 0.712 716 K HN 0.333 nan 8.250 nan 0.000 0.441 717 D N 0.457 120.782 120.400 -0.124 0.000 2.133 717 D HA -0.193 4.447 4.640 -0.000 0.000 0.192 717 D C 1.662 177.936 176.300 -0.045 0.000 1.001 717 D CA 1.940 55.931 54.000 -0.015 0.000 0.844 717 D CB -0.050 40.855 40.800 0.175 0.000 0.944 717 D HN 0.542 nan 8.370 nan 0.000 0.447 718 I N -2.787 117.692 120.570 -0.151 0.000 3.793 718 I HA 0.108 4.278 4.170 -0.000 0.000 0.315 718 I C 1.440 177.509 176.117 -0.078 0.000 1.275 718 I CA 0.283 61.510 61.300 -0.122 0.000 1.214 718 I CB 0.122 37.972 38.000 -0.249 0.000 1.018 718 I HN -0.139 nan 8.210 nan 0.000 0.439 719 K N 1.403 121.725 120.400 -0.130 0.000 2.103 719 K HA -0.085 4.234 4.320 -0.000 0.000 0.204 719 K C 1.935 178.509 176.600 -0.044 0.000 1.052 719 K CA 1.329 57.563 56.287 -0.088 0.000 0.945 719 K CB 0.130 32.533 32.500 -0.163 0.000 0.722 719 K HN 0.436 nan 8.250 nan 0.000 0.443 720 E N 1.130 121.302 120.200 -0.046 0.000 2.015 720 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 720 E C 1.945 178.538 176.600 -0.013 0.000 0.991 720 E CA 1.280 57.666 56.400 -0.024 0.000 0.802 720 E CB -0.552 29.136 29.700 -0.020 0.000 0.759 720 E HN 0.386 nan 8.360 nan 0.000 0.447 721 Q N 0.237 120.030 119.800 -0.011 0.000 2.325 721 Q HA -0.129 4.211 4.340 -0.000 0.000 0.211 721 Q C 0.563 176.564 176.000 0.001 0.000 0.988 721 Q CA 0.473 56.273 55.803 -0.005 0.000 0.887 721 Q CB -0.204 28.534 28.738 -0.000 0.000 0.915 721 Q HN 0.065 nan 8.270 nan 0.000 0.440 722 L N 1.791 123.018 121.223 0.006 0.000 2.650 722 L HA 0.103 4.443 4.340 -0.000 0.000 0.239 722 L C -0.347 176.531 176.870 0.014 0.000 1.412 722 L CA 1.026 55.877 54.840 0.018 0.000 1.219 722 L CB -0.793 41.288 42.059 0.035 0.000 1.534 722 L HN 0.097 nan 8.230 nan 0.000 0.430 723 E N 0.000 120.205 120.200 0.008 0.000 2.725 723 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 723 E CA 0.000 56.404 56.400 0.006 0.000 0.976 723 E CB 0.000 29.701 29.700 0.002 0.000 0.812 723 E HN 0.000 nan 8.360 nan 0.000 0.440