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 2v4m_1_D DATA FIRST_RESID 338 DATA SEQUENCE NFSSFMQKEI FEQPESVVNT MRGRVNFDDY TVNLGGLKDH IKEIQRCRRL DATA SEQUENCE ILIACGTSYH AGVATRQVLE ELTELPVMVE LASDFLDRNT PVFRDDVCFF DATA SEQUENCE LSQSGETADT LMGLRYCKER GALTVGITNT VGSSISRETD CGVHINAGPE DATA SEQUENCE IGVASTKAYT SQFVSLVMFA LMMCDDRISM QERRKEIMLG LKRLPDLIKE DATA SEQUENCE VLSMDDEIQK LATELYHQKS VLIMGRGYHY ATCLEGALKI KEITYMHSEG DATA SEQUENCE ILAGELKHGP LALVDKLMPV IMIIMRDHTY AKCQNALQQV VARQGRPVVI DATA SEQUENCE CDKEDTETIK NTKRTIKVPH SVDCLQGILS VIPLQLLAFH LAVLRGYDVD 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 338 N HA 0.000 nan 4.740 nan 0.000 0.220 338 N C 0.000 175.080 175.510 -0.716 0.000 1.280 338 N CA 0.000 52.773 53.050 -0.462 0.000 0.885 338 N CB 0.000 38.128 38.487 -0.598 0.000 1.341 339 F N 1.419 121.273 119.950 -0.160 0.000 2.520 339 F HA 0.292 4.819 4.527 -0.000 0.000 0.322 339 F C 1.521 177.225 175.800 -0.160 0.000 1.103 339 F CA -0.695 57.194 58.000 -0.184 0.000 0.926 339 F CB 1.787 40.655 39.000 -0.220 0.000 1.154 339 F HN -0.114 nan 8.300 nan 0.000 0.453 340 S N -0.143 115.597 115.700 0.068 0.000 2.522 340 S HA 0.062 4.532 4.470 -0.000 0.000 0.227 340 S C 0.387 174.990 174.600 0.005 0.000 0.986 340 S CA 0.495 58.710 58.200 0.024 0.000 0.929 340 S CB -0.426 62.809 63.200 0.058 0.000 0.769 340 S HN 0.587 nan 8.310 nan 0.000 0.529 341 S N -0.769 114.944 115.700 0.021 0.000 2.549 341 S HA 0.668 5.138 4.470 -0.000 0.000 0.280 341 S C 0.001 174.541 174.600 -0.100 0.000 1.109 341 S CA -0.829 57.370 58.200 -0.002 0.000 0.905 341 S CB 0.582 63.897 63.200 0.192 0.000 1.081 341 S HN 0.011 nan 8.310 nan 0.000 0.477 342 F N 1.251 121.221 119.950 0.034 0.000 2.171 342 F HA 0.000 4.527 4.527 -0.000 0.000 0.300 342 F C 2.477 178.238 175.800 -0.064 0.000 1.090 342 F CA 1.623 59.617 58.000 -0.010 0.000 1.293 342 F CB -0.399 38.608 39.000 0.011 0.000 1.013 342 F HN 0.665 nan 8.300 nan 0.000 0.486 343 M N -0.090 119.592 119.600 0.136 0.000 2.065 343 M HA -0.310 4.170 4.480 -0.000 0.000 0.259 343 M C 2.429 178.639 176.300 -0.150 0.000 1.071 343 M CA 1.939 57.261 55.300 0.036 0.000 1.109 343 M CB -0.410 32.256 32.600 0.110 0.000 1.313 343 M HN 0.213 nan 8.290 nan 0.000 0.408 344 Q N 0.258 119.861 119.800 -0.329 0.000 2.096 344 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 344 Q C 2.052 177.663 176.000 -0.649 0.000 0.982 344 Q CA 2.148 57.585 55.803 -0.610 0.000 0.850 344 Q CB -0.168 28.073 28.738 -0.828 0.000 0.901 344 Q HN 0.524 nan 8.270 nan 0.000 0.422 345 K N 0.303 120.284 120.400 -0.698 0.000 2.026 345 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 345 K C 1.652 177.998 176.600 -0.422 0.000 1.048 345 K CA 1.824 57.562 56.287 -0.916 0.000 0.929 345 K CB 0.000 32.282 32.500 -0.363 0.000 0.713 345 K HN 0.250 nan 8.250 nan 0.000 0.439 346 E N 0.416 120.502 120.200 -0.190 0.000 2.152 346 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 346 E C 2.007 178.552 176.600 -0.093 0.000 0.983 346 E CA 1.026 57.377 56.400 -0.082 0.000 0.818 346 E CB -0.005 29.690 29.700 -0.008 0.000 0.758 346 E HN 0.362 nan 8.360 nan 0.000 0.467 347 I N 0.047 120.542 120.570 -0.125 0.000 2.202 347 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 347 I C 1.728 177.740 176.117 -0.176 0.000 1.091 347 I CA 1.168 62.389 61.300 -0.132 0.000 1.368 347 I CB -0.188 37.723 38.000 -0.147 0.000 1.058 347 I HN 0.074 nan 8.210 nan 0.000 0.410 348 F N 0.738 120.497 119.950 -0.317 0.000 2.451 348 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 348 F C 2.380 178.094 175.800 -0.144 0.000 1.101 348 F CA 0.884 58.747 58.000 -0.230 0.000 1.436 348 F CB -0.208 38.614 39.000 -0.297 0.000 1.074 348 F HN 0.104 nan 8.300 nan 0.000 0.553 349 E N 0.099 120.284 120.200 -0.025 0.000 2.478 349 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 349 E C 1.815 178.406 176.600 -0.014 0.000 1.046 349 E CA 0.244 56.643 56.400 -0.002 0.000 0.870 349 E CB 0.032 29.725 29.700 -0.012 0.000 0.818 349 E HN 0.543 nan 8.360 nan 0.000 0.527 350 Q N -0.266 119.504 119.800 -0.049 0.000 2.224 350 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 350 Q C -0.922 175.050 176.000 -0.047 0.000 0.970 350 Q CA 0.947 56.718 55.803 -0.054 0.000 0.865 350 Q CB -0.394 28.296 28.738 -0.080 0.000 0.922 350 Q HN 0.331 nan 8.270 nan 0.000 0.445 351 P HA -0.165 nan 4.420 nan 0.000 0.216 351 P C 0.393 177.688 177.300 -0.008 0.000 1.150 351 P CA 1.339 64.423 63.100 -0.028 0.000 0.837 351 P CB 0.110 31.801 31.700 -0.015 0.000 0.786 352 E N -0.790 119.413 120.200 0.005 0.000 2.122 352 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 352 E C 2.151 178.758 176.600 0.011 0.000 0.977 352 E CA 1.254 57.663 56.400 0.016 0.000 0.820 352 E CB -0.491 29.227 29.700 0.029 0.000 0.770 352 E HN 0.256 nan 8.360 nan 0.000 0.462 353 S N 0.452 116.153 115.700 0.002 0.000 2.382 353 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 353 S C 2.185 176.780 174.600 -0.009 0.000 1.027 353 S CA 0.898 59.096 58.200 -0.004 0.000 0.991 353 S CB -0.532 62.663 63.200 -0.010 0.000 0.823 353 S HN 0.045 nan 8.310 nan 0.000 0.469 354 V N 1.649 121.555 119.914 -0.013 0.000 2.358 354 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 354 V C 2.646 178.751 176.094 0.018 0.000 1.047 354 V CA 1.492 63.786 62.300 -0.011 0.000 1.035 354 V CB -0.703 31.102 31.823 -0.031 0.000 0.658 354 V HN 0.445 nan 8.190 nan 0.000 0.452 355 V N 0.595 120.523 119.914 0.023 0.000 2.295 355 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 355 V C 2.322 178.442 176.094 0.043 0.000 1.049 355 V CA 2.152 64.480 62.300 0.046 0.000 1.024 355 V CB -0.825 31.021 31.823 0.038 0.000 0.648 355 V HN 0.578 nan 8.190 nan 0.000 0.447 356 N N -0.040 118.677 118.700 0.027 0.000 2.223 356 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 356 N C 1.859 177.376 175.510 0.012 0.000 1.016 356 N CA 1.890 54.954 53.050 0.023 0.000 0.863 356 N CB -0.382 38.116 38.487 0.019 0.000 0.983 356 N HN 0.470 nan 8.380 nan 0.000 0.429 357 T N 0.953 115.507 114.554 0.001 0.000 2.857 357 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 357 T C 1.890 176.596 174.700 0.011 0.000 1.048 357 T CA 0.788 62.881 62.100 -0.011 0.000 1.139 357 T CB 0.042 68.900 68.868 -0.016 0.000 0.874 357 T HN 0.225 nan 8.240 nan 0.000 0.455 358 M N 0.222 119.840 119.600 0.030 0.000 2.541 358 M HA 0.162 4.642 4.480 -0.000 0.000 0.252 358 M C 0.962 177.274 176.300 0.020 0.000 1.125 358 M CA 0.048 55.366 55.300 0.031 0.000 1.091 358 M CB 0.097 32.745 32.600 0.080 0.000 1.420 358 M HN -0.042 nan 8.290 nan 0.000 0.486 359 R N 1.350 121.870 120.500 0.033 0.000 2.486 359 R HA 0.046 4.386 4.340 -0.000 0.000 0.303 359 R C 0.891 177.201 176.300 0.017 0.000 0.958 359 R CA 1.121 57.241 56.100 0.033 0.000 1.077 359 R CB -0.049 30.274 30.300 0.038 0.000 0.921 359 R HN 0.529 nan 8.270 nan 0.000 0.406 360 G N 3.590 112.392 108.800 0.004 0.000 2.166 360 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 360 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 360 G C 0.688 175.577 174.900 -0.019 0.000 0.986 360 G CA 0.756 45.853 45.100 -0.005 0.000 0.683 360 G HN 0.723 nan 8.290 nan 0.000 0.527 361 R N -1.640 118.837 120.500 -0.039 0.000 2.350 361 R HA 0.361 4.701 4.340 -0.000 0.000 0.199 361 R C 0.566 176.801 176.300 -0.108 0.000 0.876 361 R CA 0.606 56.679 56.100 -0.045 0.000 1.062 361 R CB 0.840 31.130 30.300 -0.016 0.000 1.263 361 R HN 0.285 nan 8.270 nan 0.000 0.641 362 V N 2.198 121.994 119.914 -0.197 0.000 2.483 362 V HA 0.284 4.404 4.120 -0.000 0.000 0.295 362 V C -0.657 175.129 176.094 -0.514 0.000 1.035 362 V CA -0.967 61.091 62.300 -0.404 0.000 0.896 362 V CB 1.619 33.075 31.823 -0.613 0.000 0.986 362 V HN 0.170 nan 8.190 nan 0.000 0.447 363 N N 2.974 121.396 118.700 -0.464 0.000 2.483 363 N HA 0.361 5.101 4.740 -0.000 0.000 0.267 363 N C -0.051 175.229 175.510 -0.383 0.000 0.998 363 N CA -0.464 52.378 53.050 -0.347 0.000 0.918 363 N CB 1.261 39.648 38.487 -0.167 0.000 1.215 363 N HN 0.450 nan 8.380 nan 0.000 0.500 364 F N 1.021 120.891 119.950 -0.133 0.000 2.710 364 F HA 0.121 4.648 4.527 0.000 0.000 0.298 364 F C 1.549 177.077 175.800 -0.453 0.000 1.137 364 F CA 0.077 57.934 58.000 -0.240 0.000 1.444 364 F CB 0.341 39.254 39.000 -0.144 0.000 1.111 364 F HN 0.379 nan 8.300 nan 0.000 0.580 365 D N -0.059 120.237 120.400 -0.174 0.000 2.162 365 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 365 D C 1.461 177.589 176.300 -0.287 0.000 0.964 365 D CA 1.442 55.315 54.000 -0.212 0.000 0.847 365 D CB -0.295 40.454 40.800 -0.086 0.000 0.988 365 D HN 0.342 nan 8.370 nan 0.000 0.480 366 D N -1.623 118.655 120.400 -0.204 0.000 2.440 366 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 366 D C -0.230 176.093 176.300 0.037 0.000 1.150 366 D CA -0.691 53.268 54.000 -0.069 0.000 0.832 366 D CB -0.911 39.880 40.800 -0.015 0.000 0.992 366 D HN 0.178 nan 8.370 nan 0.000 0.502 367 Y N 0.407 120.702 120.300 -0.007 0.000 3.389 367 Y HA -0.274 4.276 4.550 -0.000 0.000 0.213 367 Y C 0.173 176.044 175.900 -0.050 0.000 1.272 367 Y CA 0.736 58.825 58.100 -0.019 0.000 1.444 367 Y CB -2.451 36.014 38.460 0.009 0.000 1.445 367 Y HN 0.213 nan 8.280 nan 0.000 0.583 368 T N -2.513 112.046 114.554 0.010 0.000 2.895 368 T HA 0.849 5.199 4.350 -0.000 0.000 0.283 368 T C -0.222 174.438 174.700 -0.067 0.000 1.014 368 T CA -0.900 61.191 62.100 -0.015 0.000 1.037 368 T CB 2.707 71.562 68.868 -0.022 0.000 1.006 368 T HN 0.041 nan 8.240 nan 0.000 0.468 369 V N 2.584 122.471 119.914 -0.044 0.000 2.638 369 V HA 0.595 4.715 4.120 -0.000 0.000 0.306 369 V C -0.458 175.622 176.094 -0.022 0.000 1.052 369 V CA -0.924 61.344 62.300 -0.052 0.000 0.885 369 V CB 1.698 33.499 31.823 -0.035 0.000 0.999 369 V HN 1.075 nan 8.190 nan 0.000 0.424 370 N N 4.592 123.282 118.700 -0.017 0.000 2.533 370 N HA 0.439 5.179 4.740 -0.000 0.000 0.289 370 N C -1.594 173.933 175.510 0.027 0.000 1.103 370 N CA -0.574 52.482 53.050 0.010 0.000 0.877 370 N CB 1.563 40.051 38.487 0.002 0.000 1.419 370 N HN 0.619 nan 8.380 nan 0.000 0.517 371 L N 3.487 124.746 121.223 0.059 0.000 2.268 371 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 371 L C 1.891 178.804 176.870 0.071 0.000 1.064 371 L CA -0.383 54.502 54.840 0.074 0.000 0.824 371 L CB 1.216 43.344 42.059 0.116 0.000 1.202 371 L HN 0.750 nan 8.230 nan 0.000 0.433 372 G N 2.557 111.390 108.800 0.056 0.000 2.469 372 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 372 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 372 G C 1.423 176.360 174.900 0.062 0.000 1.150 372 G CA 0.864 45.994 45.100 0.051 0.000 0.763 372 G HN 0.819 nan 8.290 nan 0.000 0.561 373 G N 0.317 109.154 108.800 0.062 0.000 2.498 373 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.219 373 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.219 373 G C 1.479 176.424 174.900 0.076 0.000 1.119 373 G CA 0.477 45.612 45.100 0.058 0.000 0.766 373 G HN 0.462 nan 8.290 nan 0.000 0.552 374 L N -0.517 120.766 121.223 0.100 0.000 2.640 374 L HA 0.251 4.591 4.340 -0.000 0.000 0.230 374 L C 2.351 179.321 176.870 0.166 0.000 1.123 374 L CA -0.096 54.828 54.840 0.141 0.000 0.900 374 L CB 0.071 42.232 42.059 0.171 0.000 1.146 374 L HN 0.142 nan 8.230 nan 0.000 0.484 375 K N 0.974 121.446 120.400 0.121 0.000 2.032 375 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 375 K C 0.875 177.511 176.600 0.061 0.000 1.048 375 K CA 1.702 58.038 56.287 0.081 0.000 0.927 375 K CB 0.149 32.681 32.500 0.054 0.000 0.712 375 K HN 0.251 nan 8.250 nan 0.000 0.441 376 D N -0.786 119.646 120.400 0.054 0.000 2.336 376 D HA -0.022 4.618 4.640 -0.000 0.000 0.229 376 D C 0.470 176.597 176.300 -0.287 0.000 1.061 376 D CA 0.726 54.667 54.000 -0.099 0.000 0.875 376 D CB 0.259 40.969 40.800 -0.150 0.000 0.904 376 D HN 0.417 nan 8.370 nan 0.000 0.525 377 H N -1.322 117.768 119.070 0.034 0.000 3.643 377 H HA 0.168 4.724 4.556 -0.000 0.000 0.256 377 H C 1.516 176.885 175.328 0.068 0.000 1.107 377 H CA -0.318 55.755 56.048 0.041 0.000 1.175 377 H CB 0.695 30.473 29.762 0.026 0.000 1.519 377 H HN -0.081 nan 8.280 nan 0.000 0.565 378 I N 1.308 121.987 120.570 0.182 0.000 2.335 378 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 378 I C 1.632 177.817 176.117 0.114 0.000 1.129 378 I CA 1.593 62.994 61.300 0.167 0.000 1.402 378 I CB 0.007 38.086 38.000 0.131 0.000 1.069 378 I HN 0.022 nan 8.210 nan 0.000 0.424 379 K N 0.072 120.516 120.400 0.073 0.000 2.103 379 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 379 K C 2.078 178.712 176.600 0.057 0.000 1.052 379 K CA 1.278 57.594 56.287 0.048 0.000 0.945 379 K CB -0.331 32.182 32.500 0.023 0.000 0.722 379 K HN 0.517 nan 8.250 nan 0.000 0.443 380 E N 0.761 121.002 120.200 0.068 0.000 2.107 380 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 380 E C 2.050 178.715 176.600 0.109 0.000 0.982 380 E CA 0.453 56.899 56.400 0.077 0.000 0.809 380 E CB 0.064 29.810 29.700 0.078 0.000 0.756 380 E HN 0.178 nan 8.360 nan 0.000 0.459 381 I N 0.904 121.563 120.570 0.149 0.000 2.286 381 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 381 I C 2.354 178.568 176.117 0.163 0.000 1.115 381 I CA 1.131 62.546 61.300 0.191 0.000 1.392 381 I CB -0.160 38.012 38.000 0.287 0.000 1.065 381 I HN 0.154 nan 8.210 nan 0.000 0.418 382 Q N 0.185 120.054 119.800 0.116 0.000 2.364 382 Q HA -0.128 4.212 4.340 -0.000 0.000 0.209 382 Q C 2.028 178.062 176.000 0.056 0.000 0.977 382 Q CA 0.917 56.761 55.803 0.067 0.000 0.885 382 Q CB 0.055 28.814 28.738 0.034 0.000 0.941 382 Q HN 0.465 nan 8.270 nan 0.000 0.464 383 R N -1.135 119.403 120.500 0.064 0.000 2.280 383 R HA 0.124 4.464 4.340 -0.000 0.000 0.195 383 R C 0.624 176.960 176.300 0.060 0.000 0.935 383 R CA -0.221 55.910 56.100 0.051 0.000 1.033 383 R CB 0.335 30.662 30.300 0.045 0.000 0.964 383 R HN 0.153 nan 8.270 nan 0.000 0.489 384 C N 0.708 120.058 119.300 0.083 0.000 2.639 384 C HA 0.204 4.664 4.460 -0.000 0.000 0.360 384 C C 1.697 176.736 174.990 0.081 0.000 1.351 384 C CA -0.400 58.673 59.018 0.091 0.000 2.408 384 C CB 0.714 28.527 27.740 0.121 0.000 2.517 384 C HN 0.411 nan 8.230 nan 0.000 0.696 385 R N 0.351 120.897 120.500 0.078 0.000 2.446 385 R HA 0.250 4.590 4.340 -0.000 0.000 0.254 385 R C 0.344 176.684 176.300 0.066 0.000 0.918 385 R CA 0.119 56.253 56.100 0.057 0.000 1.069 385 R CB 0.036 30.354 30.300 0.031 0.000 1.194 385 R HN 0.720 nan 8.270 nan 0.000 0.534 386 R N 0.217 120.775 120.500 0.096 0.000 2.643 386 R HA 0.411 4.751 4.340 -0.000 0.000 0.269 386 R C -1.471 174.905 176.300 0.126 0.000 1.037 386 R CA -0.517 55.643 56.100 0.101 0.000 0.894 386 R CB 1.277 31.643 30.300 0.109 0.000 1.238 386 R HN -0.082 nan 8.270 nan 0.000 0.459 387 L N 5.089 126.375 121.223 0.106 0.000 2.317 387 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 387 L C -0.359 176.547 176.870 0.060 0.000 1.024 387 L CA -0.907 53.997 54.840 0.106 0.000 0.810 387 L CB 1.711 43.800 42.059 0.049 0.000 1.240 387 L HN 0.510 nan 8.230 nan 0.000 0.427 388 I N 4.365 124.970 120.570 0.060 0.000 2.418 388 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 388 I C -0.575 175.480 176.117 -0.104 0.000 1.008 388 I CA -0.429 60.869 61.300 -0.003 0.000 1.104 388 I CB 1.915 39.936 38.000 0.035 0.000 1.264 388 I HN 0.374 nan 8.210 nan 0.000 0.438 389 L N 7.302 128.442 121.223 -0.139 0.000 2.272 389 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 389 L C -0.555 176.182 176.870 -0.222 0.000 1.032 389 L CA -0.497 54.225 54.840 -0.195 0.000 0.810 389 L CB 1.280 43.223 42.059 -0.194 0.000 1.205 389 L HN 0.480 nan 8.230 nan 0.000 0.422 390 I N 3.115 123.461 120.570 -0.373 0.000 2.466 390 I HA 0.824 4.994 4.170 -0.000 0.000 0.289 390 I C -0.076 175.940 176.117 -0.168 0.000 1.026 390 I CA -0.215 60.860 61.300 -0.375 0.000 1.078 390 I CB 1.935 39.487 38.000 -0.747 0.000 1.249 390 I HN 0.800 nan 8.210 nan 0.000 0.429 391 A N 4.544 127.343 122.820 -0.034 0.000 2.483 391 A HA 0.780 5.100 4.320 -0.000 0.000 0.294 391 A C -1.692 175.909 177.584 0.028 0.000 1.077 391 A CA -0.537 51.519 52.037 0.031 0.000 0.633 391 A CB 1.120 20.153 19.000 0.054 0.000 1.318 391 A HN 0.646 nan 8.150 nan 0.000 0.455 392 C N -0.372 118.939 119.300 0.018 0.000 2.562 392 C HA 0.890 5.350 4.460 -0.000 0.000 0.332 392 C C 1.546 176.512 174.990 -0.040 0.000 1.201 392 C CA 0.428 59.427 59.018 -0.032 0.000 1.803 392 C CB 0.575 28.297 27.740 -0.030 0.000 2.328 392 C HN 2.584 nan 8.230 nan 0.000 0.500 393 G N 2.202 110.935 108.800 -0.112 0.000 2.652 393 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.318 393 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.318 393 G C 0.965 175.664 174.900 -0.336 0.000 1.295 393 G CA 1.089 46.079 45.100 -0.184 0.000 0.999 393 G HN 0.795 nan 8.290 nan 0.000 0.548 394 T N 0.833 115.277 114.554 -0.183 0.000 2.833 394 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 394 T C 2.769 177.513 174.700 0.075 0.000 1.054 394 T CA 2.071 64.128 62.100 -0.072 0.000 1.135 394 T CB -0.363 68.529 68.868 0.039 0.000 0.869 394 T HN 0.478 nan 8.240 nan 0.000 0.466 395 S N 0.371 116.104 115.700 0.055 0.000 2.382 395 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 395 S C 1.656 176.296 174.600 0.065 0.000 1.027 395 S CA 0.873 59.121 58.200 0.081 0.000 0.991 395 S CB -0.413 62.822 63.200 0.058 0.000 0.823 395 S HN 0.669 nan 8.310 nan 0.000 0.469 396 Y N 2.117 122.353 120.300 -0.106 0.000 2.145 396 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 396 Y C 2.065 177.958 175.900 -0.011 0.000 1.145 396 Y CA 1.852 59.890 58.100 -0.104 0.000 1.148 396 Y CB -0.837 37.528 38.460 -0.158 0.000 0.981 396 Y HN 0.426 nan 8.280 nan 0.000 0.507 397 H N -0.565 118.485 119.070 -0.034 0.000 2.426 397 H HA -0.147 4.409 4.556 -0.000 0.000 0.298 397 H C 2.313 177.674 175.328 0.056 0.000 1.107 397 H CA 0.591 56.594 56.048 -0.076 0.000 1.298 397 H CB -0.142 29.640 29.762 0.033 0.000 1.377 397 H HN 0.509 nan 8.280 nan 0.000 0.519 398 A N 0.859 123.821 122.820 0.236 0.000 1.908 398 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 398 A C 2.683 180.142 177.584 -0.208 0.000 1.181 398 A CA 1.596 53.617 52.037 -0.028 0.000 0.627 398 A CB -1.178 17.784 19.000 -0.064 0.000 0.818 398 A HN 0.518 nan 8.150 nan 0.000 0.445 399 G N -0.613 108.060 108.800 -0.211 0.000 2.404 399 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.215 399 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.215 399 G C 1.503 176.227 174.900 -0.294 0.000 1.174 399 G CA 1.184 46.122 45.100 -0.270 0.000 0.780 399 G HN 0.324 nan 8.290 nan 0.000 0.537 400 V N 1.750 121.452 119.914 -0.354 0.000 2.332 400 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 400 V C 3.321 179.302 176.094 -0.188 0.000 1.055 400 V CA 2.008 64.139 62.300 -0.281 0.000 1.038 400 V CB -0.921 30.694 31.823 -0.346 0.000 0.651 400 V HN 0.467 nan 8.190 nan 0.000 0.450 401 A N 0.425 123.132 122.820 -0.189 0.000 2.019 401 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 401 A C 2.289 179.609 177.584 -0.439 0.000 1.164 401 A CA 2.331 54.230 52.037 -0.229 0.000 0.644 401 A CB -0.577 18.302 19.000 -0.202 0.000 0.805 401 A HN 0.668 nan 8.150 nan 0.000 0.449 402 T N -4.416 109.868 114.554 -0.449 0.000 2.985 402 T HA 0.171 4.520 4.350 -0.000 0.000 0.254 402 T C 1.631 176.201 174.700 -0.216 0.000 1.021 402 T CA 0.405 62.257 62.100 -0.414 0.000 0.957 402 T CB -0.091 68.486 68.868 -0.485 0.000 1.047 402 T HN 0.425 nan 8.240 nan 0.000 0.511 403 R N 1.442 121.829 120.500 -0.189 0.000 2.133 403 R HA -0.275 4.065 4.340 -0.000 0.000 0.245 403 R C 2.509 178.753 176.300 -0.093 0.000 1.137 403 R CA 2.333 58.352 56.100 -0.135 0.000 0.947 403 R CB -0.375 29.857 30.300 -0.113 0.000 0.865 403 R HN 0.607 nan 8.270 nan 0.000 0.437 404 Q N -0.261 119.487 119.800 -0.087 0.000 2.050 404 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 404 Q C 2.033 178.031 176.000 -0.003 0.000 0.980 404 Q CA 1.806 57.561 55.803 -0.080 0.000 0.840 404 Q CB -0.079 28.519 28.738 -0.234 0.000 0.898 404 Q HN 0.345 nan 8.270 nan 0.000 0.424 405 V N 0.446 120.398 119.914 0.062 0.000 2.667 405 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 405 V C 2.010 178.099 176.094 -0.009 0.000 1.065 405 V CA 1.130 63.467 62.300 0.062 0.000 1.083 405 V CB -0.226 31.644 31.823 0.079 0.000 0.692 405 V HN 0.410 nan 8.190 nan 0.000 0.468 406 L N -0.244 120.954 121.223 -0.041 0.000 2.017 406 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 406 L C 2.587 179.435 176.870 -0.037 0.000 1.073 406 L CA 2.176 56.987 54.840 -0.049 0.000 0.745 406 L CB -0.602 41.414 42.059 -0.073 0.000 0.894 406 L HN 0.360 nan 8.230 nan 0.000 0.432 407 E N -0.295 119.884 120.200 -0.036 0.000 2.077 407 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 407 E C 2.077 178.662 176.600 -0.025 0.000 0.989 407 E CA 1.349 57.732 56.400 -0.028 0.000 0.800 407 E CB -0.041 29.640 29.700 -0.031 0.000 0.746 407 E HN 0.458 nan 8.360 nan 0.000 0.452 408 E N 0.792 120.980 120.200 -0.021 0.000 2.047 408 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 408 E C 2.075 178.660 176.600 -0.026 0.000 0.987 408 E CA 0.746 57.135 56.400 -0.018 0.000 0.799 408 E CB 0.083 29.784 29.700 0.003 0.000 0.752 408 E HN 0.223 nan 8.360 nan 0.000 0.449 409 L N 0.428 121.631 121.223 -0.034 0.000 2.209 409 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 409 L C 2.762 179.591 176.870 -0.068 0.000 1.094 409 L CA 1.424 56.232 54.840 -0.054 0.000 0.790 409 L CB -0.271 41.747 42.059 -0.067 0.000 0.932 409 L HN 0.310 nan 8.230 nan 0.000 0.447 410 T N -4.363 110.153 114.554 -0.063 0.000 3.051 410 T HA 0.009 4.359 4.350 -0.000 0.000 0.255 410 T C 0.841 175.526 174.700 -0.025 0.000 1.085 410 T CA 0.132 62.199 62.100 -0.054 0.000 1.109 410 T CB 0.057 68.904 68.868 -0.034 0.000 0.921 410 T HN 0.360 nan 8.240 nan 0.000 0.488 411 E N 0.720 120.906 120.200 -0.022 0.000 2.883 411 E HA -0.157 4.193 4.350 -0.000 0.000 0.271 411 E C -0.522 176.076 176.600 -0.003 0.000 1.049 411 E CA 0.314 56.705 56.400 -0.014 0.000 0.817 411 E CB -1.931 27.760 29.700 -0.015 0.000 1.407 411 E HN 0.612 nan 8.360 nan 0.000 0.434 412 L N 0.193 121.419 121.223 0.005 0.000 2.344 412 L HA 0.475 4.815 4.340 -0.000 0.000 0.272 412 L C -2.050 174.830 176.870 0.016 0.000 1.035 412 L CA -2.385 52.467 54.840 0.019 0.000 0.807 412 L CB 0.569 42.654 42.059 0.042 0.000 1.237 412 L HN -0.257 nan 8.230 nan 0.000 0.442 413 P HA 0.042 nan 4.420 nan 0.000 0.265 413 P C -1.066 176.250 177.300 0.025 0.000 1.193 413 P CA -0.022 63.091 63.100 0.022 0.000 0.765 413 P CB 0.588 32.307 31.700 0.032 0.000 0.823 414 V N 4.751 124.671 119.914 0.010 0.000 2.409 414 V HA 0.348 4.468 4.120 -0.000 0.000 0.290 414 V C 0.108 176.203 176.094 0.002 0.000 1.017 414 V CA -0.328 61.968 62.300 -0.006 0.000 0.841 414 V CB 1.303 33.099 31.823 -0.044 0.000 1.003 414 V HN 0.517 nan 8.190 nan 0.000 0.426 415 M N 4.391 124.004 119.600 0.022 0.000 2.363 415 M HA 0.639 5.119 4.480 -0.000 0.000 0.343 415 M C -0.991 175.324 176.300 0.025 0.000 1.165 415 M CA -0.727 54.600 55.300 0.045 0.000 1.046 415 M CB 2.151 34.803 32.600 0.088 0.000 1.648 415 M HN 0.390 nan 8.290 nan 0.000 0.452 416 V N 2.688 122.637 119.914 0.057 0.000 2.444 416 V HA 0.431 4.551 4.120 -0.000 0.000 0.294 416 V C -0.495 175.739 176.094 0.234 0.000 1.022 416 V CA -0.777 61.566 62.300 0.072 0.000 0.850 416 V CB 1.758 33.565 31.823 -0.026 0.000 0.992 416 V HN 0.722 nan 8.190 nan 0.000 0.426 417 E N 4.025 124.350 120.200 0.209 0.000 2.222 417 E HA 0.511 4.861 4.350 -0.000 0.000 0.267 417 E C -0.985 175.660 176.600 0.075 0.000 0.884 417 E CA -0.784 55.718 56.400 0.169 0.000 0.764 417 E CB 3.059 32.843 29.700 0.139 0.000 1.169 417 E HN 0.520 nan 8.360 nan 0.000 0.413 418 L N 2.218 123.346 121.223 -0.159 0.000 2.418 418 L HA 0.083 4.423 4.340 -0.000 0.000 0.274 418 L C 1.586 178.412 176.870 -0.072 0.000 1.135 418 L CA 0.003 54.664 54.840 -0.298 0.000 0.870 418 L CB 0.738 42.522 42.059 -0.459 0.000 1.154 418 L HN 0.734 nan 8.230 nan 0.000 0.462 419 A N 2.595 125.384 122.820 -0.052 0.000 1.892 419 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 419 A C 2.371 179.997 177.584 0.070 0.000 1.188 419 A CA 2.165 54.212 52.037 0.017 0.000 0.631 419 A CB -0.672 18.334 19.000 0.010 0.000 0.822 419 A HN 0.875 nan 8.150 nan 0.000 0.447 420 S N -0.111 115.593 115.700 0.006 0.000 2.370 420 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 420 S C 1.672 176.271 174.600 -0.002 0.000 1.033 420 S CA 1.796 59.996 58.200 -0.001 0.000 1.011 420 S CB -0.623 62.560 63.200 -0.027 0.000 0.852 420 S HN 0.568 nan 8.310 nan 0.000 0.457 421 D N 0.501 120.896 120.400 -0.009 0.000 2.123 421 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 421 D C 1.612 177.911 176.300 -0.002 0.000 0.976 421 D CA 0.810 54.800 54.000 -0.016 0.000 0.831 421 D CB -0.449 40.333 40.800 -0.030 0.000 0.974 421 D HN 0.365 nan 8.370 nan 0.000 0.469 422 F N 0.791 120.677 119.950 -0.106 0.000 2.087 422 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 422 F C 1.845 177.511 175.800 -0.222 0.000 1.100 422 F CA 1.524 59.445 58.000 -0.132 0.000 1.226 422 F CB -0.204 38.734 39.000 -0.104 0.000 0.983 422 F HN 0.015 nan 8.300 nan 0.000 0.479 423 L N -0.500 120.672 121.223 -0.086 0.000 2.131 423 L HA -0.159 4.180 4.340 -0.000 0.000 0.206 423 L C 2.141 178.876 176.870 -0.225 0.000 1.087 423 L CA 1.081 55.782 54.840 -0.232 0.000 0.767 423 L CB -0.846 41.183 42.059 -0.050 0.000 0.917 423 L HN 0.021 nan 8.230 nan 0.000 0.441 424 D N 0.522 120.841 120.400 -0.134 0.000 2.158 424 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 424 D C 2.140 178.360 176.300 -0.134 0.000 0.995 424 D CA 1.301 55.238 54.000 -0.105 0.000 0.846 424 D CB -0.083 40.676 40.800 -0.068 0.000 0.941 424 D HN 0.266 nan 8.370 nan 0.000 0.456 425 R N 0.099 120.485 120.500 -0.190 0.000 2.310 425 R HA 0.070 4.410 4.340 -0.000 0.000 0.202 425 R C -0.031 176.148 176.300 -0.203 0.000 0.933 425 R CA -0.111 55.887 56.100 -0.170 0.000 1.054 425 R CB 0.054 30.264 30.300 -0.151 0.000 0.985 425 R HN 0.011 nan 8.270 nan 0.000 0.489 426 N N 1.580 120.106 118.700 -0.290 0.000 2.714 426 N HA -0.131 4.609 4.740 -0.000 0.000 0.252 426 N C -0.857 174.527 175.510 -0.209 0.000 1.014 426 N CA 1.335 54.249 53.050 -0.228 0.000 0.735 426 N CB -1.556 36.907 38.487 -0.041 0.000 0.924 426 N HN 0.177 nan 8.380 nan 0.000 0.540 427 T N 1.186 115.450 114.554 -0.483 0.000 2.923 427 T HA 0.087 4.437 4.350 -0.000 0.000 0.304 427 T C -1.987 172.656 174.700 -0.095 0.000 1.044 427 T CA -0.255 61.644 62.100 -0.334 0.000 1.141 427 T CB 0.425 68.940 68.868 -0.589 0.000 1.023 427 T HN 0.089 nan 8.240 nan 0.000 0.533 428 P HA 0.365 nan 4.420 nan 0.000 0.276 428 P C -1.015 176.170 177.300 -0.192 0.000 1.243 428 P CA -0.264 62.748 63.100 -0.146 0.000 0.768 428 P CB 0.568 32.271 31.700 0.005 0.000 0.856 429 V N 4.717 124.371 119.914 -0.433 0.000 2.789 429 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 429 V C -0.353 175.366 176.094 -0.625 0.000 1.073 429 V CA -0.375 61.769 62.300 -0.259 0.000 0.921 429 V CB 1.516 33.385 31.823 0.076 0.000 1.009 429 V HN 0.353 nan 8.190 nan 0.000 0.426 430 F N 1.582 121.582 119.950 0.083 0.000 2.654 430 F HA 0.587 5.114 4.527 -0.000 0.000 0.334 430 F C 1.307 177.139 175.800 0.053 0.000 1.078 430 F CA -1.061 56.971 58.000 0.053 0.000 0.986 430 F CB 1.559 40.588 39.000 0.050 0.000 1.362 430 F HN 0.245 nan 8.300 nan 0.000 0.498 431 R N 0.109 120.750 120.500 0.235 0.000 2.189 431 R HA -0.078 4.262 4.340 -0.000 0.000 0.223 431 R C 0.346 176.727 176.300 0.134 0.000 1.092 431 R CA 1.388 57.571 56.100 0.139 0.000 0.989 431 R CB -0.315 30.049 30.300 0.105 0.000 0.876 431 R HN 0.609 nan 8.270 nan 0.000 0.457 432 D N -0.352 120.143 120.400 0.158 0.000 2.427 432 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 432 D C -0.565 175.822 176.300 0.144 0.000 1.157 432 D CA -0.154 53.921 54.000 0.125 0.000 0.828 432 D CB 0.001 40.853 40.800 0.088 0.000 0.974 432 D HN -0.149 nan 8.370 nan 0.000 0.498 433 D N 0.348 120.854 120.400 0.178 0.000 2.210 433 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 433 D C -0.115 176.273 176.300 0.147 0.000 1.078 433 D CA -0.476 53.631 54.000 0.178 0.000 0.875 433 D CB 2.517 43.446 40.800 0.215 0.000 1.175 433 D HN -0.130 nan 8.370 nan 0.000 0.440 434 V N 2.588 122.594 119.914 0.154 0.000 2.350 434 V HA 0.230 4.349 4.120 -0.000 0.000 0.276 434 V C 0.078 176.256 176.094 0.141 0.000 1.028 434 V CA -0.676 61.706 62.300 0.137 0.000 0.860 434 V CB 1.098 33.047 31.823 0.211 0.000 0.990 434 V HN 0.634 nan 8.190 nan 0.000 0.453 435 C N 5.814 125.142 119.300 0.046 0.000 2.298 435 C HA 0.614 5.074 4.460 -0.000 0.000 0.323 435 C C -0.023 174.808 174.990 -0.265 0.000 1.284 435 C CA -0.873 58.111 59.018 -0.057 0.000 1.577 435 C CB -0.189 27.557 27.740 0.010 0.000 2.249 435 C HN 0.724 nan 8.230 nan 0.000 0.497 436 F N 2.283 121.921 119.950 -0.520 0.000 2.404 436 F HA 0.561 5.088 4.527 -0.000 0.000 0.339 436 F C -0.002 175.283 175.800 -0.859 0.000 1.105 436 F CA -0.382 57.330 58.000 -0.480 0.000 1.087 436 F CB 0.835 39.620 39.000 -0.358 0.000 1.143 436 F HN 0.450 nan 8.300 nan 0.000 0.491 437 F N 4.282 124.220 119.950 -0.020 0.000 2.403 437 F HA 0.452 4.979 4.527 -0.000 0.000 0.355 437 F C -0.628 175.167 175.800 -0.009 0.000 1.119 437 F CA -0.778 57.199 58.000 -0.039 0.000 1.007 437 F CB 0.937 39.892 39.000 -0.076 0.000 1.194 437 F HN 0.097 nan 8.300 nan 0.000 0.443 438 L N 3.136 124.406 121.223 0.077 0.000 2.272 438 L HA 0.662 5.002 4.340 -0.000 0.000 0.289 438 L C 0.024 176.935 176.870 0.068 0.000 1.032 438 L CA -0.485 54.391 54.840 0.060 0.000 0.810 438 L CB 1.516 43.586 42.059 0.018 0.000 1.205 438 L HN 0.610 nan 8.230 nan 0.000 0.422 439 S N 1.587 117.326 115.700 0.066 0.000 2.599 439 S HA 0.083 4.553 4.470 -0.000 0.000 0.269 439 S C 0.298 174.927 174.600 0.049 0.000 1.135 439 S CA -0.512 57.722 58.200 0.057 0.000 1.027 439 S CB 1.539 64.775 63.200 0.061 0.000 1.129 439 S HN 0.710 nan 8.310 nan 0.000 0.458 440 Q N 2.875 122.702 119.800 0.044 0.000 2.030 440 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 440 Q C 1.864 177.887 176.000 0.039 0.000 0.986 440 Q CA 2.746 58.574 55.803 0.040 0.000 0.843 440 Q CB -0.489 28.273 28.738 0.039 0.000 0.904 440 Q HN 0.871 nan 8.270 nan 0.000 0.420 441 S N -1.509 114.209 115.700 0.030 0.000 2.461 441 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 441 S C 1.519 176.132 174.600 0.021 0.000 1.005 441 S CA 1.057 59.270 58.200 0.021 0.000 0.942 441 S CB -0.227 62.980 63.200 0.012 0.000 0.776 441 S HN 0.633 nan 8.310 nan 0.000 0.514 442 G N 1.088 109.903 108.800 0.026 0.000 2.166 442 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 442 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 442 G C 0.522 175.422 174.900 -0.000 0.000 0.986 442 G CA 0.662 45.773 45.100 0.017 0.000 0.683 442 G HN 0.560 nan 8.290 nan 0.000 0.527 443 E N -0.442 119.759 120.200 0.001 0.000 2.641 443 E HA 0.086 4.436 4.350 -0.000 0.000 0.224 443 E C 0.651 177.248 176.600 -0.004 0.000 0.951 443 E CA 0.280 56.676 56.400 -0.007 0.000 1.102 443 E CB 0.380 30.075 29.700 -0.007 0.000 1.091 443 E HN 0.391 nan 8.360 nan 0.000 0.507 444 T N 1.746 116.302 114.554 0.004 0.000 2.867 444 T HA 0.149 4.499 4.350 -0.000 0.000 0.297 444 T C 1.450 176.153 174.700 0.005 0.000 0.989 444 T CA 0.521 62.625 62.100 0.007 0.000 1.159 444 T CB 1.386 70.262 68.868 0.014 0.000 0.928 444 T HN 0.122 nan 8.240 nan 0.000 0.538 445 A N 3.932 126.754 122.820 0.002 0.000 1.873 445 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 445 A C 2.114 179.704 177.584 0.010 0.000 1.193 445 A CA 1.664 53.702 52.037 0.001 0.000 0.629 445 A CB -0.466 18.534 19.000 -0.000 0.000 0.826 445 A HN 0.791 nan 8.150 nan 0.000 0.447 446 D N -0.835 119.574 120.400 0.015 0.000 2.117 446 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 446 D C 2.096 178.426 176.300 0.050 0.000 0.982 446 D CA 1.782 55.800 54.000 0.030 0.000 0.828 446 D CB -0.744 40.068 40.800 0.021 0.000 0.967 446 D HN 0.445 nan 8.370 nan 0.000 0.464 447 T N 1.491 116.074 114.554 0.049 0.000 2.746 447 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 447 T C 1.938 176.672 174.700 0.058 0.000 1.039 447 T CA 0.622 62.780 62.100 0.097 0.000 1.142 447 T CB -0.289 68.639 68.868 0.100 0.000 0.866 447 T HN 0.043 nan 8.240 nan 0.000 0.444 448 L N 0.677 121.896 121.223 -0.008 0.000 2.056 448 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 448 L C 2.320 179.148 176.870 -0.071 0.000 1.078 448 L CA 1.598 56.390 54.840 -0.080 0.000 0.749 448 L CB -0.683 41.342 42.059 -0.055 0.000 0.901 448 L HN 0.219 nan 8.230 nan 0.000 0.433 449 M N -0.698 118.901 119.600 -0.002 0.000 2.106 449 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 449 M C 2.134 178.497 176.300 0.104 0.000 1.068 449 M CA 1.965 57.290 55.300 0.042 0.000 1.100 449 M CB -1.125 31.508 32.600 0.054 0.000 1.351 449 M HN 0.474 nan 8.290 nan 0.000 0.404 450 G N 0.174 109.055 108.800 0.135 0.000 2.422 450 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 450 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 450 G C 1.380 176.419 174.900 0.233 0.000 1.146 450 G CA 0.603 45.875 45.100 0.286 0.000 0.769 450 G HN 0.338 nan 8.290 nan 0.000 0.547 451 L N 0.788 121.829 121.223 -0.303 0.000 1.989 451 L HA -0.021 4.319 4.340 -0.000 0.000 0.211 451 L C 2.813 179.533 176.870 -0.251 0.000 1.071 451 L CA 1.892 56.200 54.840 -0.888 0.000 0.749 451 L CB -0.731 40.658 42.059 -1.118 0.000 0.890 451 L HN 0.158 nan 8.230 nan 0.000 0.431 452 R N -1.972 118.460 120.500 -0.114 0.000 2.081 452 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 452 R C 2.280 178.619 176.300 0.065 0.000 1.131 452 R CA 1.803 57.886 56.100 -0.028 0.000 0.960 452 R CB -0.789 29.502 30.300 -0.016 0.000 0.856 452 R HN 0.505 nan 8.270 nan 0.000 0.436 453 Y N 0.817 121.139 120.300 0.038 0.000 2.097 453 Y HA -0.364 4.186 4.550 0.000 0.000 0.282 453 Y C 2.347 178.310 175.900 0.105 0.000 1.152 453 Y CA 1.654 59.807 58.100 0.089 0.000 1.136 453 Y CB -0.370 38.201 38.460 0.185 0.000 0.975 453 Y HN 0.050 nan 8.280 nan 0.000 0.498 454 C N 0.537 120.052 119.300 0.358 0.000 2.440 454 C HA -0.122 4.338 4.460 -0.000 0.000 0.278 454 C C 2.650 177.682 174.990 0.069 0.000 1.295 454 C CA 1.206 60.378 59.018 0.257 0.000 1.738 454 C CB -1.099 26.905 27.740 0.439 0.000 1.987 454 C HN 0.553 nan 8.230 nan 0.000 0.492 455 K N 1.113 121.526 120.400 0.022 0.000 2.009 455 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 455 K C 1.937 178.508 176.600 -0.049 0.000 1.049 455 K CA 1.707 57.979 56.287 -0.025 0.000 0.929 455 K CB -0.203 32.264 32.500 -0.054 0.000 0.714 455 K HN 0.543 nan 8.250 nan 0.000 0.440 456 E N -0.195 119.956 120.200 -0.082 0.000 2.171 456 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 456 E C 1.734 178.257 176.600 -0.128 0.000 0.997 456 E CA 1.178 57.512 56.400 -0.110 0.000 0.810 456 E CB 0.016 29.627 29.700 -0.147 0.000 0.738 456 E HN 0.218 nan 8.360 nan 0.000 0.467 457 R N -0.839 119.565 120.500 -0.160 0.000 2.334 457 R HA 0.097 4.437 4.340 -0.000 0.000 0.220 457 R C 1.024 177.290 176.300 -0.056 0.000 0.917 457 R CA 0.488 56.499 56.100 -0.148 0.000 1.073 457 R CB 0.611 30.765 30.300 -0.242 0.000 1.056 457 R HN 0.234 nan 8.270 nan 0.000 0.506 458 G N 0.328 109.112 108.800 -0.027 0.000 2.148 458 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.254 458 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.254 458 G C 0.294 175.218 174.900 0.040 0.000 0.981 458 G CA 0.036 45.141 45.100 0.009 0.000 0.670 458 G HN 0.518 nan 8.290 nan 0.000 0.528 459 A N -0.368 122.484 122.820 0.053 0.000 2.466 459 A HA 0.578 4.898 4.320 -0.000 0.000 0.238 459 A C 0.731 178.356 177.584 0.070 0.000 1.074 459 A CA 0.368 52.458 52.037 0.088 0.000 0.774 459 A CB 0.470 19.547 19.000 0.128 0.000 1.015 459 A HN 1.403 nan 8.150 nan 0.000 0.498 460 L N 2.581 123.845 121.223 0.069 0.000 2.315 460 L HA 0.390 4.730 4.340 -0.000 0.000 0.283 460 L C 0.560 177.424 176.870 -0.010 0.000 1.089 460 L CA -0.171 54.689 54.840 0.033 0.000 0.833 460 L CB 0.599 42.691 42.059 0.054 0.000 1.170 460 L HN 0.885 nan 8.230 nan 0.000 0.442 461 T N 2.131 116.657 114.554 -0.048 0.000 2.859 461 T HA 0.680 5.030 4.350 -0.000 0.000 0.281 461 T C -0.472 174.108 174.700 -0.199 0.000 1.005 461 T CA -0.742 61.342 62.100 -0.027 0.000 1.025 461 T CB 1.880 70.762 68.868 0.024 0.000 0.977 461 T HN 0.276 nan 8.240 nan 0.000 0.458 462 V N 1.915 121.658 119.914 -0.286 0.000 2.623 462 V HA 0.735 4.855 4.120 -0.000 0.000 0.304 462 V C 0.589 176.512 176.094 -0.284 0.000 1.054 462 V CA -0.905 61.085 62.300 -0.516 0.000 0.882 462 V CB 1.882 32.944 31.823 -1.269 0.000 1.002 462 V HN 1.275 nan 8.190 nan 0.000 0.424 463 G N 4.781 113.486 108.800 -0.158 0.000 2.332 463 G HA2 0.666 4.626 3.960 -0.000 0.000 0.310 463 G HA3 0.666 4.626 3.960 -0.000 0.000 0.310 463 G C -0.669 174.223 174.900 -0.014 0.000 1.123 463 G CA -0.380 44.704 45.100 -0.026 0.000 0.873 463 G HN 0.486 nan 8.290 nan 0.000 0.460 464 I N 3.297 123.894 120.570 0.046 0.000 2.502 464 I HA 0.286 4.456 4.170 -0.000 0.000 0.276 464 I C 0.365 176.513 176.117 0.052 0.000 1.057 464 I CA -0.438 60.894 61.300 0.053 0.000 1.163 464 I CB 0.313 38.359 38.000 0.077 0.000 1.288 464 I HN 0.560 nan 8.210 nan 0.000 0.479 465 T N 1.038 115.626 114.554 0.056 0.000 2.916 465 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 465 T C 0.237 174.987 174.700 0.084 0.000 1.064 465 T CA -0.659 61.483 62.100 0.071 0.000 1.011 465 T CB 2.683 71.599 68.868 0.080 0.000 1.152 465 T HN 0.280 nan 8.240 nan 0.000 0.510 466 N N -0.629 118.124 118.700 0.088 0.000 2.177 466 N HA 0.230 4.970 4.740 -0.000 0.000 0.218 466 N C -0.810 174.839 175.510 0.231 0.000 1.182 466 N CA -0.234 52.873 53.050 0.095 0.000 0.882 466 N CB 0.799 39.297 38.487 0.018 0.000 1.052 466 N HN 0.714 nan 8.380 nan 0.000 0.519 467 T N 1.078 115.735 114.554 0.173 0.000 2.864 467 T HA 0.284 4.634 4.350 -0.000 0.000 0.310 467 T C -0.141 174.576 174.700 0.027 0.000 1.040 467 T CA -0.667 61.488 62.100 0.092 0.000 0.977 467 T CB 1.137 70.030 68.868 0.043 0.000 0.976 467 T HN 0.098 nan 8.240 nan 0.000 0.459 468 V N 1.251 121.119 119.914 -0.077 0.000 2.763 468 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 468 V C 1.289 177.335 176.094 -0.081 0.000 1.059 468 V CA 0.610 62.812 62.300 -0.163 0.000 1.138 468 V CB -0.018 31.641 31.823 -0.274 0.000 0.940 468 V HN 1.193 nan 8.190 nan 0.000 0.489 469 G N 2.871 111.630 108.800 -0.068 0.000 2.162 469 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 469 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 469 G C 0.349 175.228 174.900 -0.034 0.000 0.976 469 G CA 0.554 45.625 45.100 -0.047 0.000 0.655 469 G HN 2.008 nan 8.290 nan 0.000 0.533 470 S N -0.023 115.661 115.700 -0.027 0.000 2.585 470 S HA 0.605 5.075 4.470 -0.000 0.000 0.273 470 S C 1.643 176.225 174.600 -0.030 0.000 1.339 470 S CA 0.591 58.778 58.200 -0.020 0.000 1.028 470 S CB 1.636 64.833 63.200 -0.005 0.000 0.906 470 S HN 0.769 nan 8.310 nan 0.000 0.528 471 S N 1.653 117.333 115.700 -0.033 0.000 2.365 471 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 471 S C 1.732 176.293 174.600 -0.065 0.000 1.039 471 S CA 1.659 59.830 58.200 -0.047 0.000 1.033 471 S CB -0.827 62.345 63.200 -0.047 0.000 0.887 471 S HN 0.706 nan 8.310 nan 0.000 0.447 472 I N 2.114 122.646 120.570 -0.063 0.000 2.226 472 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 472 I C 2.824 178.895 176.117 -0.076 0.000 1.100 472 I CA 1.494 62.741 61.300 -0.088 0.000 1.374 472 I CB -0.568 37.402 38.000 -0.050 0.000 1.057 472 I HN 0.433 nan 8.210 nan 0.000 0.413 473 S N 0.721 116.396 115.700 -0.042 0.000 2.402 473 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 473 S C 2.170 176.738 174.600 -0.053 0.000 1.021 473 S CA 0.878 59.055 58.200 -0.037 0.000 0.974 473 S CB -0.378 62.814 63.200 -0.013 0.000 0.800 473 S HN 0.391 nan 8.310 nan 0.000 0.484 474 R N 0.884 121.350 120.500 -0.056 0.000 2.075 474 R HA 0.080 4.420 4.340 -0.000 0.000 0.226 474 R C 1.922 178.181 176.300 -0.070 0.000 1.114 474 R CA 1.495 57.562 56.100 -0.055 0.000 0.972 474 R CB -0.118 30.153 30.300 -0.048 0.000 0.869 474 R HN 0.574 nan 8.270 nan 0.000 0.437 475 E N -0.076 120.069 120.200 -0.091 0.000 2.478 475 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 475 E C 0.060 176.580 176.600 -0.133 0.000 1.045 475 E CA 0.465 56.800 56.400 -0.108 0.000 0.868 475 E CB 0.518 30.143 29.700 -0.124 0.000 0.885 475 E HN 0.367 nan 8.360 nan 0.000 0.505 476 T N -1.003 113.467 114.554 -0.140 0.000 2.882 476 T HA 0.073 4.423 4.350 -0.000 0.000 0.287 476 T C 0.690 175.301 174.700 -0.148 0.000 1.014 476 T CA -0.774 61.234 62.100 -0.153 0.000 1.049 476 T CB 1.383 70.165 68.868 -0.145 0.000 1.001 476 T HN -0.214 nan 8.240 nan 0.000 0.525 477 D N 0.243 120.532 120.400 -0.183 0.000 2.144 477 D HA 0.019 4.659 4.640 -0.000 0.000 0.200 477 D C 1.239 177.296 176.300 -0.405 0.000 0.978 477 D CA 1.184 55.039 54.000 -0.242 0.000 0.833 477 D CB -0.209 40.429 40.800 -0.270 0.000 0.961 477 D HN 0.853 nan 8.370 nan 0.000 0.470 478 C N -2.892 116.157 119.300 -0.418 0.000 3.316 478 C HA 0.914 5.374 4.460 -0.000 0.000 0.360 478 C C 0.122 174.979 174.990 -0.221 0.000 1.560 478 C CA -0.240 58.573 59.018 -0.342 0.000 1.229 478 C CB 1.685 29.128 27.740 -0.495 0.000 1.823 478 C HN 0.351 nan 8.230 nan 0.000 0.440 479 G N -0.949 107.769 108.800 -0.137 0.000 2.342 479 G HA2 0.625 4.585 3.960 -0.000 0.000 0.297 479 G HA3 0.625 4.585 3.960 -0.000 0.000 0.297 479 G C -2.245 172.643 174.900 -0.019 0.000 1.313 479 G CA 0.006 45.049 45.100 -0.095 0.000 0.830 479 G HN 1.635 nan 8.290 nan 0.000 0.506 480 V N 0.524 120.446 119.914 0.012 0.000 2.569 480 V HA 0.442 4.562 4.120 -0.000 0.000 0.301 480 V C -0.819 175.327 176.094 0.086 0.000 1.044 480 V CA -0.799 61.534 62.300 0.055 0.000 0.874 480 V CB 1.528 33.384 31.823 0.056 0.000 1.002 480 V HN 0.999 nan 8.190 nan 0.000 0.424 481 H N 4.945 124.022 119.070 0.012 0.000 2.800 481 H HA 0.367 4.923 4.556 -0.000 0.000 0.291 481 H C 1.081 176.421 175.328 0.021 0.000 1.076 481 H CA -0.220 55.836 56.048 0.013 0.000 1.452 481 H CB 1.126 30.893 29.762 0.010 0.000 1.461 481 H HN 0.702 nan 8.280 nan 0.000 0.488 482 I N 0.844 121.180 120.570 -0.390 0.000 3.111 482 I HA 0.008 4.178 4.170 -0.000 0.000 0.272 482 I C 0.451 176.360 176.117 -0.347 0.000 1.268 482 I CA 0.556 61.698 61.300 -0.263 0.000 1.467 482 I CB -0.209 37.708 38.000 -0.139 0.000 1.087 482 I HN 0.647 nan 8.210 nan 0.000 0.467 483 N N 1.042 119.292 118.700 -0.749 0.000 2.758 483 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 483 N C 0.646 176.073 175.510 -0.139 0.000 1.076 483 N CA 0.762 53.583 53.050 -0.382 0.000 0.696 483 N CB -0.936 37.484 38.487 -0.110 0.000 0.979 483 N HN 0.696 nan 8.380 nan 0.000 0.550 484 A N -0.316 122.425 122.820 -0.132 0.000 2.132 484 A HA 0.571 4.891 4.320 -0.000 0.000 0.213 484 A C 1.405 178.987 177.584 -0.003 0.000 1.154 484 A CA 1.376 53.384 52.037 -0.048 0.000 0.753 484 A CB -0.147 18.829 19.000 -0.040 0.000 0.826 484 A HN 1.596 nan 8.150 nan 0.000 0.469 485 G N -1.138 107.675 108.800 0.021 0.000 2.707 485 G HA2 0.027 3.987 3.960 -0.000 0.000 0.686 485 G HA3 0.027 3.987 3.960 -0.000 0.000 0.686 485 G C -3.156 171.768 174.900 0.041 0.000 1.315 485 G CA -0.623 44.505 45.100 0.047 0.000 0.832 485 G HN 0.161 nan 8.290 nan 0.000 0.573 486 P HA 0.238 nan 4.420 nan 0.000 0.264 486 P C -0.264 177.033 177.300 -0.005 0.000 1.183 486 P CA 0.545 63.651 63.100 0.010 0.000 0.763 486 P CB 0.623 32.319 31.700 -0.006 0.000 0.807 487 E N 3.185 123.373 120.200 -0.020 0.000 2.141 487 E HA 0.182 4.532 4.350 -0.000 0.000 0.259 487 E C 0.350 176.902 176.600 -0.080 0.000 0.883 487 E CA -0.368 56.016 56.400 -0.027 0.000 0.744 487 E CB 0.378 30.077 29.700 -0.001 0.000 1.150 487 E HN 0.259 nan 8.360 nan 0.000 0.420 488 I N 2.712 123.188 120.570 -0.157 0.000 3.645 488 I HA 0.136 4.306 4.170 -0.000 0.000 0.300 488 I C 1.270 177.278 176.117 -0.183 0.000 1.260 488 I CA 0.337 61.445 61.300 -0.320 0.000 1.365 488 I CB -0.553 36.912 38.000 -0.891 0.000 1.077 488 I HN 0.429 nan 8.210 nan 0.000 0.439 489 G N 0.940 109.725 108.800 -0.025 0.000 2.491 489 G HA2 0.311 4.271 3.960 -0.000 0.000 0.242 489 G HA3 0.311 4.271 3.960 -0.000 0.000 0.242 489 G C 1.182 176.103 174.900 0.035 0.000 1.266 489 G CA -0.357 44.783 45.100 0.066 0.000 0.844 489 G HN -0.035 nan 8.290 nan 0.000 0.571 490 V N 2.150 122.097 119.914 0.056 0.000 2.282 490 V HA -0.126 3.994 4.120 -0.000 0.000 0.249 490 V C 2.083 178.199 176.094 0.035 0.000 1.057 490 V CA 2.211 64.537 62.300 0.043 0.000 1.032 490 V CB -0.989 30.868 31.823 0.056 0.000 0.645 490 V HN 0.886 nan 8.190 nan 0.000 0.447 491 A N -0.152 122.693 122.820 0.042 0.000 2.301 491 A HA 0.538 4.858 4.320 -0.000 0.000 0.312 491 A C 0.380 177.984 177.584 0.034 0.000 1.182 491 A CA 0.038 52.096 52.037 0.034 0.000 0.826 491 A CB 0.816 19.836 19.000 0.032 0.000 1.134 491 A HN 0.299 nan 8.150 nan 0.000 0.501 492 S N 1.233 116.954 115.700 0.036 0.000 2.549 492 S HA 0.357 4.827 4.470 -0.000 0.000 0.283 492 S C 1.169 175.803 174.600 0.056 0.000 1.320 492 S CA 0.515 58.747 58.200 0.053 0.000 1.058 492 S CB 0.137 63.382 63.200 0.076 0.000 0.882 492 S HN 1.216 nan 8.310 nan 0.000 0.498 493 T N 2.582 117.175 114.554 0.065 0.000 3.413 493 T HA 0.200 4.550 4.350 -0.000 0.000 0.187 493 T C 1.612 176.370 174.700 0.096 0.000 0.961 493 T CA 0.126 62.264 62.100 0.064 0.000 1.085 493 T CB -0.688 68.190 68.868 0.017 0.000 1.345 493 T HN 0.642 nan 8.240 nan 0.000 0.326 494 K N 2.275 122.703 120.400 0.047 0.000 2.152 494 K HA 0.130 4.450 4.320 -0.000 0.000 0.206 494 K C 2.474 179.104 176.600 0.050 0.000 1.048 494 K CA 1.443 57.750 56.287 0.033 0.000 0.933 494 K CB -0.793 31.710 32.500 0.005 0.000 0.721 494 K HN 0.398 nan 8.250 nan 0.000 0.447 495 A N 1.189 124.047 122.820 0.064 0.000 1.917 495 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 495 A C 2.139 179.784 177.584 0.103 0.000 1.182 495 A CA 1.595 53.671 52.037 0.065 0.000 0.633 495 A CB -0.931 18.110 19.000 0.067 0.000 0.819 495 A HN 0.613 nan 8.150 nan 0.000 0.448 496 Y N 1.769 122.089 120.300 0.034 0.000 2.163 496 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 496 Y C 2.858 178.817 175.900 0.098 0.000 1.136 496 Y CA 2.558 60.698 58.100 0.067 0.000 1.147 496 Y CB -0.764 37.741 38.460 0.075 0.000 0.987 496 Y HN 0.427 nan 8.280 nan 0.000 0.509 497 T N -2.872 111.674 114.554 -0.014 0.000 2.867 497 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 497 T C 2.052 176.701 174.700 -0.085 0.000 1.057 497 T CA 1.415 63.437 62.100 -0.131 0.000 1.136 497 T CB -0.772 68.054 68.868 -0.071 0.000 0.874 497 T HN 0.284 nan 8.240 nan 0.000 0.466 498 S N 1.669 117.346 115.700 -0.039 0.000 2.383 498 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 498 S C 2.277 176.866 174.600 -0.017 0.000 1.026 498 S CA 0.999 59.182 58.200 -0.028 0.000 0.981 498 S CB -0.374 62.805 63.200 -0.035 0.000 0.818 498 S HN 0.603 nan 8.310 nan 0.000 0.472 499 Q N -0.067 119.716 119.800 -0.028 0.000 2.084 499 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 499 Q C 1.843 177.827 176.000 -0.026 0.000 0.978 499 Q CA 1.468 57.252 55.803 -0.031 0.000 0.844 499 Q CB -0.303 28.411 28.738 -0.039 0.000 0.898 499 Q HN 0.599 nan 8.270 nan 0.000 0.426 500 F N 0.482 120.276 119.950 -0.261 0.000 2.046 500 F HA -0.302 4.225 4.527 0.000 0.000 0.297 500 F C 2.080 177.796 175.800 -0.140 0.000 1.123 500 F CA 1.179 59.023 58.000 -0.259 0.000 1.199 500 F CB -0.032 38.735 39.000 -0.389 0.000 0.972 500 F HN -0.158 nan 8.300 nan 0.000 0.474 501 V N -0.272 119.790 119.914 0.247 0.000 2.392 501 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 501 V C 2.321 178.477 176.094 0.104 0.000 1.059 501 V CA 2.104 64.496 62.300 0.153 0.000 1.051 501 V CB -0.819 31.033 31.823 0.048 0.000 0.658 501 V HN 0.373 nan 8.190 nan 0.000 0.455 502 S N -0.007 115.734 115.700 0.067 0.000 2.368 502 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 502 S C 1.883 176.537 174.600 0.090 0.000 1.030 502 S CA 1.430 59.669 58.200 0.065 0.000 0.999 502 S CB -0.319 62.905 63.200 0.039 0.000 0.844 502 S HN 0.474 nan 8.310 nan 0.000 0.459 503 L N 0.933 122.180 121.223 0.039 0.000 2.156 503 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 503 L C 2.272 179.180 176.870 0.063 0.000 1.095 503 L CA 0.582 55.430 54.840 0.012 0.000 0.770 503 L CB -0.496 41.477 42.059 -0.145 0.000 0.914 503 L HN 0.178 nan 8.230 nan 0.000 0.439 504 V N -0.346 119.597 119.914 0.048 0.000 2.343 504 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 504 V C 2.459 178.594 176.094 0.068 0.000 1.051 504 V CA 1.819 64.156 62.300 0.062 0.000 1.036 504 V CB -0.376 31.521 31.823 0.123 0.000 0.654 504 V HN 0.403 nan 8.190 nan 0.000 0.451 505 M N -1.234 118.421 119.600 0.092 0.000 2.117 505 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 505 M C 2.156 178.516 176.300 0.100 0.000 1.065 505 M CA 2.044 57.391 55.300 0.078 0.000 1.114 505 M CB -0.490 32.155 32.600 0.076 0.000 1.361 505 M HN 0.450 nan 8.290 nan 0.000 0.408 506 F N 1.384 121.347 119.950 0.021 0.000 2.095 506 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 506 F C 2.357 178.165 175.800 0.013 0.000 1.104 506 F CA 1.619 59.644 58.000 0.041 0.000 1.232 506 F CB -0.626 38.419 39.000 0.075 0.000 0.987 506 F HN 0.070 nan 8.300 nan 0.000 0.475 507 A N 0.901 123.632 122.820 -0.147 0.000 1.917 507 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 507 A C 2.329 179.789 177.584 -0.206 0.000 1.182 507 A CA 2.155 54.053 52.037 -0.231 0.000 0.633 507 A CB -1.351 17.604 19.000 -0.076 0.000 0.819 507 A HN 0.543 nan 8.150 nan 0.000 0.448 508 L N -1.448 119.708 121.223 -0.111 0.000 2.141 508 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 508 L C 2.843 179.654 176.870 -0.099 0.000 1.094 508 L CA 1.237 56.032 54.840 -0.076 0.000 0.763 508 L CB -0.427 41.617 42.059 -0.025 0.000 0.908 508 L HN 0.423 nan 8.230 nan 0.000 0.437 509 M N -1.297 118.225 119.600 -0.129 0.000 2.175 509 M HA -0.193 4.287 4.480 -0.000 0.000 0.264 509 M C 2.304 178.498 176.300 -0.176 0.000 1.063 509 M CA 1.533 56.761 55.300 -0.120 0.000 1.119 509 M CB -0.186 32.366 32.600 -0.080 0.000 1.377 509 M HN 0.249 nan 8.290 nan 0.000 0.415 510 M N -0.222 119.184 119.600 -0.323 0.000 2.229 510 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 510 M C 2.064 178.266 176.300 -0.163 0.000 1.063 510 M CA 1.167 56.286 55.300 -0.301 0.000 1.114 510 M CB -1.071 31.242 32.600 -0.478 0.000 1.387 510 M HN 0.522 nan 8.290 nan 0.000 0.420 511 C N -0.427 118.791 119.300 -0.138 0.000 2.589 511 C HA 0.203 4.663 4.460 -0.000 0.000 0.307 511 C C 1.383 176.335 174.990 -0.063 0.000 1.328 511 C CA -0.422 58.544 59.018 -0.087 0.000 1.742 511 C CB -1.792 25.901 27.740 -0.078 0.000 2.037 511 C HN 0.506 nan 8.230 nan 0.000 0.592 512 D N 0.419 120.783 120.400 -0.060 0.000 2.347 512 D HA -0.116 4.524 4.640 -0.000 0.000 0.215 512 D C 1.088 177.371 176.300 -0.028 0.000 0.976 512 D CA 1.092 55.069 54.000 -0.038 0.000 0.884 512 D CB -0.531 40.250 40.800 -0.031 0.000 0.915 512 D HN 0.454 nan 8.370 nan 0.000 0.526 513 D N -0.496 119.887 120.400 -0.029 0.000 2.340 513 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 513 D C -0.312 175.974 176.300 -0.022 0.000 1.081 513 D CA -0.163 53.824 54.000 -0.021 0.000 0.842 513 D CB 0.180 40.970 40.800 -0.017 0.000 0.934 513 D HN -0.095 nan 8.370 nan 0.000 0.511 514 R N 0.887 121.370 120.500 -0.028 0.000 2.229 514 R HA 0.300 4.640 4.340 -0.000 0.000 0.332 514 R C 1.236 177.519 176.300 -0.028 0.000 0.989 514 R CA -0.425 55.659 56.100 -0.027 0.000 0.842 514 R CB 0.931 31.212 30.300 -0.032 0.000 1.119 514 R HN 0.171 nan 8.270 nan 0.000 0.456 515 I N 1.132 121.688 120.570 -0.023 0.000 2.179 515 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 515 I C 2.072 178.172 176.117 -0.028 0.000 1.088 515 I CA 1.914 63.200 61.300 -0.024 0.000 1.357 515 I CB -0.226 37.763 38.000 -0.018 0.000 1.051 515 I HN 0.551 nan 8.210 nan 0.000 0.409 516 S N 0.406 116.091 115.700 -0.026 0.000 2.469 516 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 516 S C 1.704 176.285 174.600 -0.031 0.000 0.998 516 S CA 0.994 59.178 58.200 -0.026 0.000 0.957 516 S CB -0.354 62.832 63.200 -0.023 0.000 0.764 516 S HN 0.455 nan 8.310 nan 0.000 0.514 517 M N 0.364 119.943 119.600 -0.036 0.000 2.333 517 M HA 0.225 4.705 4.480 -0.000 0.000 0.257 517 M C 1.885 178.153 176.300 -0.054 0.000 1.078 517 M CA -0.074 55.201 55.300 -0.041 0.000 1.005 517 M CB 0.149 32.725 32.600 -0.040 0.000 1.444 517 M HN 0.268 nan 8.290 nan 0.000 0.496 518 Q N 0.810 120.575 119.800 -0.058 0.000 2.077 518 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 518 Q C 1.679 177.607 176.000 -0.121 0.000 0.989 518 Q CA 1.326 57.080 55.803 -0.083 0.000 0.853 518 Q CB -0.011 28.683 28.738 -0.073 0.000 0.907 518 Q HN 0.408 nan 8.270 nan 0.000 0.418 519 E N 0.395 120.536 120.200 -0.098 0.000 2.106 519 E HA -0.176 4.173 4.350 -0.000 0.000 0.192 519 E C 1.929 178.473 176.600 -0.093 0.000 0.984 519 E CA 0.889 57.225 56.400 -0.107 0.000 0.806 519 E CB -0.139 29.520 29.700 -0.068 0.000 0.750 519 E HN 0.128 nan 8.360 nan 0.000 0.458 520 R N 1.557 122.018 120.500 -0.064 0.000 2.092 520 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 520 R C 2.147 178.419 176.300 -0.046 0.000 1.119 520 R CA 1.351 57.425 56.100 -0.043 0.000 0.970 520 R CB -0.208 30.075 30.300 -0.028 0.000 0.864 520 R HN 0.031 nan 8.270 nan 0.000 0.440 521 R N 0.243 120.705 120.500 -0.064 0.000 2.081 521 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 521 R C 2.260 178.524 176.300 -0.061 0.000 1.131 521 R CA 1.958 58.028 56.100 -0.050 0.000 0.960 521 R CB -0.246 30.022 30.300 -0.054 0.000 0.856 521 R HN 0.215 nan 8.270 nan 0.000 0.436 522 K N 0.629 120.912 120.400 -0.195 0.000 2.026 522 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 522 K C 2.118 178.680 176.600 -0.063 0.000 1.048 522 K CA 1.372 57.459 56.287 -0.332 0.000 0.929 522 K CB -0.133 31.973 32.500 -0.656 0.000 0.713 522 K HN 0.240 nan 8.250 nan 0.000 0.439 523 E N 1.154 121.321 120.200 -0.056 0.000 2.070 523 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 523 E C 1.975 178.590 176.600 0.025 0.000 1.004 523 E CA 1.385 57.783 56.400 -0.004 0.000 0.805 523 E CB -0.050 29.643 29.700 -0.011 0.000 0.744 523 E HN 0.273 nan 8.360 nan 0.000 0.451 524 I N 0.166 120.751 120.570 0.025 0.000 2.252 524 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 524 I C 2.632 178.809 176.117 0.100 0.000 1.102 524 I CA 0.856 62.180 61.300 0.041 0.000 1.385 524 I CB -0.165 37.854 38.000 0.031 0.000 1.064 524 I HN 0.218 nan 8.210 nan 0.000 0.414 525 M N 0.104 119.800 119.600 0.160 0.000 2.132 525 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 525 M C 2.363 178.866 176.300 0.338 0.000 1.065 525 M CA 1.810 57.288 55.300 0.298 0.000 1.122 525 M CB -0.318 32.509 32.600 0.378 0.000 1.365 525 M HN 0.215 nan 8.290 nan 0.000 0.411 526 L N -0.430 120.948 121.223 0.257 0.000 2.043 526 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 526 L C 2.629 179.520 176.870 0.035 0.000 1.075 526 L CA 1.466 56.388 54.840 0.137 0.000 0.752 526 L CB -1.343 40.790 42.059 0.124 0.000 0.891 526 L HN 0.439 nan 8.230 nan 0.000 0.432 527 G N -0.030 108.793 108.800 0.038 0.000 2.418 527 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 527 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 527 G C 1.629 176.523 174.900 -0.011 0.000 1.158 527 G CA 0.480 45.572 45.100 -0.013 0.000 0.771 527 G HN 0.239 nan 8.290 nan 0.000 0.545 528 L N 0.046 121.310 121.223 0.067 0.000 2.083 528 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 528 L C 2.803 179.688 176.870 0.025 0.000 1.083 528 L CA 1.460 56.366 54.840 0.110 0.000 0.752 528 L CB -0.278 41.932 42.059 0.252 0.000 0.899 528 L HN 0.225 nan 8.230 nan 0.000 0.433 529 K N 0.481 120.781 120.400 -0.166 0.000 2.057 529 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 529 K C 2.153 178.562 176.600 -0.320 0.000 1.049 529 K CA 1.287 57.186 56.287 -0.647 0.000 0.931 529 K CB 0.071 32.015 32.500 -0.927 0.000 0.714 529 K HN 0.198 nan 8.250 nan 0.000 0.440 530 R N 0.296 120.685 120.500 -0.184 0.000 2.307 530 R HA -0.022 4.318 4.340 -0.000 0.000 0.199 530 R C 2.036 178.277 176.300 -0.098 0.000 1.000 530 R CA 0.095 56.121 56.100 -0.124 0.000 1.023 530 R CB -0.061 30.189 30.300 -0.085 0.000 0.908 530 R HN 0.143 nan 8.270 nan 0.000 0.473 531 L N 1.616 122.783 121.223 -0.094 0.000 2.017 531 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 531 L C -1.034 175.789 176.870 -0.078 0.000 1.073 531 L CA 1.856 56.645 54.840 -0.086 0.000 0.745 531 L CB -0.756 41.254 42.059 -0.082 0.000 0.894 531 L HN -0.026 nan 8.230 nan 0.000 0.432 532 P HA -0.151 nan 4.420 nan 0.000 0.215 532 P C 0.963 178.232 177.300 -0.052 0.000 1.157 532 P CA 1.709 64.776 63.100 -0.055 0.000 0.874 532 P CB -0.062 31.612 31.700 -0.044 0.000 0.790 533 D N -1.071 119.297 120.400 -0.054 0.000 2.144 533 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 533 D C 1.997 178.271 176.300 -0.043 0.000 0.984 533 D CA 0.950 54.925 54.000 -0.043 0.000 0.834 533 D CB -0.689 40.085 40.800 -0.044 0.000 0.955 533 D HN 0.175 nan 8.370 nan 0.000 0.465 534 L N 0.218 121.409 121.223 -0.053 0.000 2.093 534 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 534 L C 2.430 179.264 176.870 -0.061 0.000 1.085 534 L CA 0.517 55.326 54.840 -0.052 0.000 0.755 534 L CB -0.258 41.766 42.059 -0.059 0.000 0.904 534 L HN 0.018 nan 8.230 nan 0.000 0.435 535 I N 0.069 120.594 120.570 -0.074 0.000 2.163 535 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 535 I C 2.553 178.614 176.117 -0.093 0.000 1.085 535 I CA 1.472 62.718 61.300 -0.091 0.000 1.347 535 I CB -0.272 37.671 38.000 -0.096 0.000 1.044 535 I HN 0.207 nan 8.210 nan 0.000 0.408 536 K N 0.499 120.860 120.400 -0.065 0.000 2.032 536 K HA -0.275 4.045 4.320 -0.000 0.000 0.209 536 K C 2.084 178.662 176.600 -0.037 0.000 1.048 536 K CA 1.855 58.116 56.287 -0.044 0.000 0.927 536 K CB -0.295 32.199 32.500 -0.012 0.000 0.712 536 K HN 0.323 nan 8.250 nan 0.000 0.441 537 E N 0.798 120.980 120.200 -0.031 0.000 2.130 537 E HA -0.203 4.146 4.350 -0.000 0.000 0.196 537 E C 1.835 178.418 176.600 -0.028 0.000 0.998 537 E CA 1.300 57.688 56.400 -0.020 0.000 0.806 537 E CB 0.150 29.840 29.700 -0.017 0.000 0.738 537 E HN 0.074 nan 8.360 nan 0.000 0.459 538 V N 1.047 120.930 119.914 -0.051 0.000 2.453 538 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 538 V C 2.365 178.409 176.094 -0.083 0.000 1.048 538 V CA 1.212 63.477 62.300 -0.058 0.000 1.049 538 V CB -0.372 31.410 31.823 -0.069 0.000 0.672 538 V HN 0.328 nan 8.190 nan 0.000 0.457 539 L N 0.035 121.169 121.223 -0.147 0.000 2.191 539 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 539 L C 2.436 179.285 176.870 -0.035 0.000 1.103 539 L CA 1.328 56.022 54.840 -0.243 0.000 0.769 539 L CB -0.574 41.218 42.059 -0.445 0.000 0.908 539 L HN 0.293 nan 8.230 nan 0.000 0.438 540 S N -0.459 115.248 115.700 0.012 0.000 2.507 540 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 540 S C 1.621 176.254 174.600 0.056 0.000 0.988 540 S CA 0.923 59.160 58.200 0.061 0.000 0.944 540 S CB -0.156 63.069 63.200 0.042 0.000 0.762 540 S HN 0.395 nan 8.310 nan 0.000 0.526 541 M N 0.906 120.527 119.600 0.035 0.000 2.568 541 M HA 0.094 4.574 4.480 -0.000 0.000 0.226 541 M C 1.337 177.673 176.300 0.061 0.000 1.148 541 M CA 0.151 55.474 55.300 0.037 0.000 1.007 541 M CB -0.155 32.457 32.600 0.020 0.000 1.651 541 M HN 0.036 nan 8.290 nan 0.000 0.488 542 D N 1.506 121.971 120.400 0.109 0.000 2.123 542 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 542 D C 1.387 177.736 176.300 0.080 0.000 0.992 542 D CA 1.619 55.729 54.000 0.183 0.000 0.833 542 D CB 0.183 41.208 40.800 0.375 0.000 0.954 542 D HN 0.246 nan 8.370 nan 0.000 0.455 543 D N 0.195 120.631 120.400 0.060 0.000 2.117 543 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 543 D C 1.998 178.282 176.300 -0.026 0.000 0.987 543 D CA 0.803 54.803 54.000 0.001 0.000 0.829 543 D CB -0.346 40.467 40.800 0.021 0.000 0.961 543 D HN 0.489 nan 8.370 nan 0.000 0.460 544 E N 0.134 120.334 120.200 0.001 0.000 2.085 544 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 544 E C 2.300 178.896 176.600 -0.008 0.000 0.994 544 E CA 0.644 57.045 56.400 0.001 0.000 0.801 544 E CB -0.074 29.635 29.700 0.014 0.000 0.743 544 E HN 0.310 nan 8.360 nan 0.000 0.453 545 I N 0.788 121.356 120.570 -0.002 0.000 2.353 545 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 545 I C 2.711 178.794 176.117 -0.057 0.000 1.119 545 I CA 0.847 62.157 61.300 0.018 0.000 1.417 545 I CB -0.142 37.912 38.000 0.091 0.000 1.078 545 I HN 0.118 nan 8.210 nan 0.000 0.421 546 Q N 1.465 121.108 119.800 -0.261 0.000 2.096 546 Q HA -0.288 4.052 4.340 -0.000 0.000 0.204 546 Q C 2.254 178.165 176.000 -0.148 0.000 0.982 546 Q CA 1.802 57.330 55.803 -0.459 0.000 0.850 546 Q CB 0.001 28.373 28.738 -0.611 0.000 0.901 546 Q HN 0.360 nan 8.270 nan 0.000 0.422 547 K N -0.059 120.292 120.400 -0.082 0.000 2.057 547 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 547 K C 2.124 178.733 176.600 0.015 0.000 1.049 547 K CA 1.187 57.461 56.287 -0.021 0.000 0.931 547 K CB -0.193 32.301 32.500 -0.011 0.000 0.714 547 K HN 0.239 nan 8.250 nan 0.000 0.440 548 L N 1.049 122.283 121.223 0.018 0.000 2.083 548 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 548 L C 2.128 179.043 176.870 0.076 0.000 1.083 548 L CA 2.087 56.953 54.840 0.045 0.000 0.752 548 L CB -0.783 41.300 42.059 0.041 0.000 0.899 548 L HN 0.205 nan 8.230 nan 0.000 0.433 549 A N -1.027 121.841 122.820 0.079 0.000 1.972 549 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 549 A C 2.328 180.031 177.584 0.198 0.000 1.169 549 A CA 2.187 54.301 52.037 0.129 0.000 0.635 549 A CB -1.362 17.719 19.000 0.134 0.000 0.810 549 A HN 0.657 nan 8.150 nan 0.000 0.446 550 T N -1.986 112.664 114.554 0.161 0.000 2.915 550 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 550 T C 1.347 176.214 174.700 0.278 0.000 1.071 550 T CA 1.481 63.733 62.100 0.254 0.000 1.132 550 T CB -0.365 68.579 68.868 0.128 0.000 0.878 550 T HN 0.644 nan 8.240 nan 0.000 0.479 551 E N 0.362 120.668 120.200 0.176 0.000 2.481 551 E HA 0.244 4.594 4.350 -0.000 0.000 0.195 551 E C 1.540 178.259 176.600 0.199 0.000 1.047 551 E CA 0.276 56.769 56.400 0.155 0.000 0.867 551 E CB 0.036 29.795 29.700 0.097 0.000 0.858 551 E HN 0.493 nan 8.360 nan 0.000 0.513 552 L N -0.701 120.632 121.223 0.185 0.000 2.878 552 L HA 0.076 4.415 4.340 -0.000 0.000 0.253 552 L C 1.712 178.609 176.870 0.044 0.000 1.135 552 L CA -0.118 54.762 54.840 0.067 0.000 0.943 552 L CB 0.204 42.299 42.059 0.061 0.000 1.307 552 L HN 0.215 nan 8.230 nan 0.000 0.545 553 Y N -0.427 119.944 120.300 0.120 0.000 2.421 553 Y HA -0.183 4.367 4.550 -0.000 0.000 0.292 553 Y C 2.578 178.537 175.900 0.098 0.000 1.136 553 Y CA 1.334 59.485 58.100 0.085 0.000 1.255 553 Y CB -0.954 37.547 38.460 0.068 0.000 0.991 553 Y HN 0.316 nan 8.280 nan 0.000 0.552 554 H N -0.829 117.892 119.070 -0.583 0.000 2.547 554 H HA 0.142 4.698 4.556 -0.000 0.000 0.272 554 H C -0.106 175.134 175.328 -0.146 0.000 0.989 554 H CA 0.234 56.034 56.048 -0.413 0.000 1.214 554 H CB -0.228 29.234 29.762 -0.500 0.000 1.389 554 H HN 0.371 nan 8.280 nan 0.000 0.577 555 Q N 1.553 121.029 119.800 -0.539 0.000 2.354 555 Q HA 0.146 4.486 4.340 -0.000 0.000 0.244 555 Q C 0.742 176.669 176.000 -0.120 0.000 0.969 555 Q CA -0.083 55.496 55.803 -0.372 0.000 0.885 555 Q CB 1.587 30.121 28.738 -0.339 0.000 1.241 555 Q HN 0.403 nan 8.270 nan 0.000 0.461 556 K N 0.007 120.367 120.400 -0.067 0.000 2.284 556 K HA 0.137 4.456 4.320 -0.000 0.000 0.198 556 K C 0.303 176.931 176.600 0.047 0.000 1.048 556 K CA 0.413 56.710 56.287 0.017 0.000 0.987 556 K CB 0.599 33.117 32.500 0.030 0.000 0.800 556 K HN 0.293 nan 8.250 nan 0.000 0.486 557 S N 0.020 115.717 115.700 -0.004 0.000 2.595 557 S HA 0.510 4.980 4.470 -0.000 0.000 0.281 557 S C -1.688 172.885 174.600 -0.045 0.000 1.117 557 S CA -0.790 57.396 58.200 -0.023 0.000 0.873 557 S CB 2.649 65.802 63.200 -0.079 0.000 1.108 557 S HN -0.055 nan 8.310 nan 0.000 0.477 558 V N 3.372 123.257 119.914 -0.049 0.000 2.777 558 V HA 0.524 4.644 4.120 -0.000 0.000 0.306 558 V C -1.854 174.211 176.094 -0.049 0.000 1.112 558 V CA -0.659 61.616 62.300 -0.041 0.000 0.917 558 V CB 1.458 33.272 31.823 -0.016 0.000 1.018 558 V HN 0.810 nan 8.190 nan 0.000 0.426 559 L N 7.272 128.468 121.223 -0.046 0.000 2.275 559 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 559 L C -0.444 176.417 176.870 -0.015 0.000 1.046 559 L CA -0.383 54.435 54.840 -0.038 0.000 0.805 559 L CB 1.440 43.475 42.059 -0.039 0.000 1.193 559 L HN 0.506 nan 8.230 nan 0.000 0.426 560 I N 4.394 124.963 120.570 -0.002 0.000 2.330 560 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 560 I C -0.230 175.905 176.117 0.030 0.000 1.001 560 I CA -0.200 61.106 61.300 0.011 0.000 1.193 560 I CB 1.325 39.331 38.000 0.010 0.000 1.345 560 I HN 0.540 nan 8.210 nan 0.000 0.461 561 M N 5.305 124.921 119.600 0.027 0.000 2.383 561 M HA 0.781 5.261 4.480 -0.000 0.000 0.325 561 M C 0.035 176.366 176.300 0.051 0.000 1.092 561 M CA -0.431 54.891 55.300 0.037 0.000 0.961 561 M CB 2.402 35.006 32.600 0.007 0.000 1.672 561 M HN 0.735 nan 8.290 nan 0.000 0.438 562 G N 1.901 110.751 108.800 0.083 0.000 2.547 562 G HA2 0.635 4.595 3.960 -0.000 0.000 0.291 562 G HA3 0.635 4.595 3.960 -0.000 0.000 0.291 562 G C -1.908 173.057 174.900 0.108 0.000 1.471 562 G CA -0.838 44.326 45.100 0.106 0.000 0.798 562 G HN 0.627 nan 8.290 nan 0.000 0.504 563 R N -0.758 119.803 120.500 0.102 0.000 2.888 563 R HA 0.691 5.031 4.340 -0.000 0.000 0.266 563 R C 1.071 177.418 176.300 0.078 0.000 1.020 563 R CA 0.251 56.369 56.100 0.031 0.000 0.963 563 R CB 1.860 32.150 30.300 -0.017 0.000 1.197 563 R HN 1.548 nan 8.270 nan 0.000 0.481 564 G N 1.058 109.849 108.800 -0.015 0.000 2.672 564 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.324 564 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.324 564 G C 0.611 175.486 174.900 -0.041 0.000 1.286 564 G CA 1.064 46.112 45.100 -0.087 0.000 1.004 564 G HN 0.697 nan 8.290 nan 0.000 0.548 565 Y N 1.057 121.355 120.300 -0.003 0.000 2.283 565 Y HA -0.116 4.434 4.550 -0.000 0.000 0.285 565 Y C 2.702 178.403 175.900 -0.332 0.000 1.176 565 Y CA 2.180 60.177 58.100 -0.172 0.000 1.229 565 Y CB -0.207 38.094 38.460 -0.266 0.000 0.975 565 Y HN 0.537 nan 8.280 nan 0.000 0.537 566 H N -2.752 116.467 119.070 0.248 0.000 2.542 566 H HA 0.015 4.571 4.556 -0.000 0.000 0.283 566 H C 1.258 176.699 175.328 0.188 0.000 1.059 566 H CA -0.091 56.072 56.048 0.193 0.000 1.162 566 H CB -0.116 29.735 29.762 0.149 0.000 1.539 566 H HN 0.319 nan 8.280 nan 0.000 0.543 567 Y N 2.462 122.808 120.300 0.077 0.000 2.114 567 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 567 Y C 2.479 178.381 175.900 0.002 0.000 1.143 567 Y CA 1.353 59.471 58.100 0.030 0.000 1.135 567 Y CB -0.523 37.937 38.460 0.001 0.000 0.980 567 Y HN 0.173 nan 8.280 nan 0.000 0.499 568 A N -0.664 122.124 122.820 -0.053 0.000 1.908 568 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 568 A C 2.262 179.781 177.584 -0.108 0.000 1.181 568 A CA 2.522 54.467 52.037 -0.155 0.000 0.627 568 A CB -1.360 17.644 19.000 0.007 0.000 0.818 568 A HN 0.529 nan 8.150 nan 0.000 0.445 569 T N -0.622 113.964 114.554 0.053 0.000 2.684 569 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 569 T C 1.924 176.613 174.700 -0.020 0.000 1.036 569 T CA 1.625 63.772 62.100 0.078 0.000 1.148 569 T CB -0.771 68.241 68.868 0.239 0.000 0.863 569 T HN 0.607 nan 8.240 nan 0.000 0.436 570 C N 1.079 120.381 119.300 0.004 0.000 2.432 570 C HA 0.067 4.527 4.460 -0.000 0.000 0.277 570 C C 2.741 177.655 174.990 -0.127 0.000 1.249 570 C CA 0.262 59.270 59.018 -0.016 0.000 1.725 570 C CB -1.481 26.302 27.740 0.070 0.000 2.028 570 C HN 0.508 nan 8.230 nan 0.000 0.477 571 L N 0.790 121.843 121.223 -0.283 0.000 2.017 571 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 571 L C 2.737 179.259 176.870 -0.581 0.000 1.073 571 L CA 1.894 56.448 54.840 -0.477 0.000 0.745 571 L CB -0.748 40.849 42.059 -0.770 0.000 0.894 571 L HN 0.311 nan 8.230 nan 0.000 0.432 572 E N 0.587 120.414 120.200 -0.621 0.000 2.072 572 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 572 E C 2.107 178.591 176.600 -0.193 0.000 0.982 572 E CA 1.394 57.555 56.400 -0.398 0.000 0.803 572 E CB -0.429 28.968 29.700 -0.505 0.000 0.755 572 E HN 0.294 nan 8.360 nan 0.000 0.453 573 G N 0.451 109.161 108.800 -0.150 0.000 2.440 573 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.218 573 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.218 573 G C 1.729 176.606 174.900 -0.038 0.000 1.154 573 G CA 1.267 46.327 45.100 -0.067 0.000 0.767 573 G HN 0.457 nan 8.290 nan 0.000 0.552 574 A N 0.246 123.039 122.820 -0.046 0.000 1.933 574 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 574 A C 2.342 179.939 177.584 0.023 0.000 1.175 574 A CA 1.701 53.735 52.037 -0.004 0.000 0.628 574 A CB -0.389 18.610 19.000 -0.002 0.000 0.814 574 A HN 0.443 nan 8.150 nan 0.000 0.444 575 L N -0.477 120.759 121.223 0.021 0.000 2.056 575 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 575 L C 2.128 179.020 176.870 0.037 0.000 1.078 575 L CA 1.979 56.861 54.840 0.069 0.000 0.749 575 L CB -0.562 41.596 42.059 0.165 0.000 0.901 575 L HN 0.139 nan 8.230 nan 0.000 0.433 576 K N 0.083 120.489 120.400 0.009 0.000 2.020 576 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 576 K C 2.205 178.805 176.600 -0.000 0.000 1.050 576 K CA 2.203 58.490 56.287 0.001 0.000 0.929 576 K CB -0.738 31.756 32.500 -0.010 0.000 0.714 576 K HN 0.420 nan 8.250 nan 0.000 0.443 577 I N 1.093 121.668 120.570 0.008 0.000 2.226 577 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 577 I C 2.446 178.567 176.117 0.006 0.000 1.100 577 I CA 1.225 62.531 61.300 0.010 0.000 1.374 577 I CB -0.193 37.824 38.000 0.028 0.000 1.057 577 I HN 0.177 nan 8.210 nan 0.000 0.413 578 K N 0.516 120.939 120.400 0.038 0.000 2.009 578 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 578 K C 2.136 178.760 176.600 0.040 0.000 1.049 578 K CA 1.938 58.262 56.287 0.063 0.000 0.929 578 K CB -0.234 32.314 32.500 0.081 0.000 0.714 578 K HN 0.325 nan 8.250 nan 0.000 0.440 579 E N 0.785 120.997 120.200 0.018 0.000 2.077 579 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 579 E C 1.969 178.515 176.600 -0.090 0.000 0.989 579 E CA 1.476 57.890 56.400 0.022 0.000 0.800 579 E CB 0.053 29.768 29.700 0.024 0.000 0.746 579 E HN 0.455 nan 8.360 nan 0.000 0.452 580 I N -2.349 118.100 120.570 -0.201 0.000 3.939 580 I HA 0.143 4.313 4.170 -0.000 0.000 0.313 580 I C 2.091 177.815 176.117 -0.654 0.000 1.274 580 I CA 0.854 61.940 61.300 -0.357 0.000 1.301 580 I CB 0.421 38.349 38.000 -0.121 0.000 1.105 580 I HN -0.017 nan 8.210 nan 0.000 0.427 581 T N -2.390 111.877 114.554 -0.479 0.000 3.014 581 T HA 0.090 4.440 4.350 -0.000 0.000 0.250 581 T C 0.668 175.179 174.700 -0.316 0.000 1.060 581 T CA 0.385 62.295 62.100 -0.317 0.000 1.040 581 T CB -0.371 68.472 68.868 -0.041 0.000 0.971 581 T HN 0.452 nan 8.240 nan 0.000 0.497 582 Y N 0.054 120.357 120.300 0.006 0.000 3.825 582 Y HA -0.176 4.374 4.550 -0.000 0.000 0.221 582 Y C 0.472 176.406 175.900 0.057 0.000 1.195 582 Y CA -0.186 57.908 58.100 -0.010 0.000 1.699 582 Y CB -2.996 35.407 38.460 -0.095 0.000 1.531 582 Y HN 0.401 nan 8.280 nan 0.000 0.640 583 M N -0.043 119.645 119.600 0.148 0.000 2.288 583 M HA 0.186 4.665 4.480 -0.000 0.000 0.334 583 M C 0.950 177.355 176.300 0.176 0.000 1.150 583 M CA -0.202 55.184 55.300 0.144 0.000 1.118 583 M CB 0.713 33.374 32.600 0.100 0.000 1.501 583 M HN 0.398 nan 8.290 nan 0.000 0.462 584 H N 1.836 120.936 119.070 0.049 0.000 3.118 584 H HA 0.221 4.777 4.556 -0.000 0.000 0.266 584 H C -0.660 174.685 175.328 0.027 0.000 1.465 584 H CA -0.759 55.312 56.048 0.039 0.000 1.460 584 H CB 0.262 30.043 29.762 0.032 0.000 1.661 584 H HN 0.590 nan 8.280 nan 0.000 0.516 585 S N 3.497 119.310 115.700 0.188 0.000 2.541 585 S HA 0.299 4.769 4.470 -0.000 0.000 0.283 585 S C -0.238 174.407 174.600 0.075 0.000 1.196 585 S CA -1.027 57.215 58.200 0.070 0.000 1.062 585 S CB 2.656 65.890 63.200 0.057 0.000 1.009 585 S HN 0.790 nan 8.310 nan 0.000 0.502 586 E N 1.170 121.371 120.200 0.001 0.000 2.290 586 E HA 0.508 4.858 4.350 -0.000 0.000 0.274 586 E C -0.429 176.181 176.600 0.016 0.000 0.889 586 E CA -0.828 55.580 56.400 0.015 0.000 0.760 586 E CB 1.493 31.172 29.700 -0.035 0.000 1.206 586 E HN 0.883 nan 8.360 nan 0.000 0.419 587 G N 4.711 113.531 108.800 0.033 0.000 2.349 587 G HA2 0.438 4.398 3.960 -0.000 0.000 0.281 587 G HA3 0.438 4.398 3.960 -0.000 0.000 0.281 587 G C -0.371 174.598 174.900 0.114 0.000 1.182 587 G CA -0.354 44.777 45.100 0.052 0.000 0.899 587 G HN 0.386 nan 8.290 nan 0.000 0.455 588 I N 3.258 123.895 120.570 0.111 0.000 2.389 588 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 588 I C -0.039 176.145 176.117 0.112 0.000 0.999 588 I CA -1.348 60.015 61.300 0.105 0.000 1.129 588 I CB 1.483 39.509 38.000 0.043 0.000 1.288 588 I HN 0.289 nan 8.210 nan 0.000 0.444 589 L N 6.559 127.824 121.223 0.070 0.000 2.562 589 L HA 0.190 4.530 4.340 -0.000 0.000 0.271 589 L C 1.502 178.326 176.870 -0.077 0.000 1.167 589 L CA 0.536 55.292 54.840 -0.138 0.000 0.917 589 L CB 0.829 42.601 42.059 -0.478 0.000 1.187 589 L HN 0.800 nan 8.230 nan 0.000 0.482 590 A N 4.573 127.360 122.820 -0.055 0.000 1.917 590 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 590 A C 1.965 179.516 177.584 -0.056 0.000 1.182 590 A CA 1.811 53.822 52.037 -0.043 0.000 0.633 590 A CB -1.337 17.641 19.000 -0.037 0.000 0.819 590 A HN 0.966 nan 8.150 nan 0.000 0.448 591 G N -1.286 107.474 108.800 -0.066 0.000 2.509 591 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.218 591 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.218 591 G C 1.210 176.116 174.900 0.010 0.000 1.124 591 G CA 0.744 45.821 45.100 -0.040 0.000 0.776 591 G HN 0.496 nan 8.290 nan 0.000 0.547 592 E N -0.305 119.904 120.200 0.015 0.000 2.489 592 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 592 E C 2.114 178.732 176.600 0.030 0.000 1.057 592 E CA -0.262 56.203 56.400 0.107 0.000 0.866 592 E CB 0.288 30.023 29.700 0.058 0.000 0.916 592 E HN 0.330 nan 8.360 nan 0.000 0.500 593 L N 1.915 123.113 121.223 -0.043 0.000 2.046 593 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 593 L C 2.224 179.031 176.870 -0.106 0.000 1.077 593 L CA 1.810 56.615 54.840 -0.058 0.000 0.747 593 L CB -0.271 41.751 42.059 -0.062 0.000 0.896 593 L HN 0.051 nan 8.230 nan 0.000 0.432 594 K N -2.333 117.932 120.400 -0.224 0.000 2.555 594 K HA -0.117 4.203 4.320 -0.000 0.000 0.193 594 K C 0.718 177.110 176.600 -0.348 0.000 1.032 594 K CA 1.071 57.174 56.287 -0.306 0.000 1.004 594 K CB -0.358 31.909 32.500 -0.388 0.000 0.804 594 K HN 0.437 nan 8.250 nan 0.000 0.496 595 H N -0.543 118.517 119.070 -0.016 0.000 2.542 595 H HA 0.231 4.787 4.556 -0.000 0.000 0.283 595 H C 1.020 176.344 175.328 -0.008 0.000 1.059 595 H CA 0.646 56.687 56.048 -0.012 0.000 1.162 595 H CB 1.494 31.248 29.762 -0.014 0.000 1.539 595 H HN 0.586 nan 8.280 nan 0.000 0.543 596 G N 0.753 109.586 108.800 0.054 0.000 3.967 596 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.210 596 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.210 596 G C -1.332 173.576 174.900 0.014 0.000 1.127 596 G CA -0.340 44.782 45.100 0.035 0.000 0.887 596 G HN 0.146 nan 8.290 nan 0.000 0.367 597 P HA 0.069 nan 4.420 nan 0.000 0.221 597 P C 1.969 179.262 177.300 -0.012 0.000 1.145 597 P CA 0.606 63.708 63.100 0.003 0.000 0.795 597 P CB 0.036 31.741 31.700 0.009 0.000 0.775 598 L N 0.169 121.379 121.223 -0.021 0.000 2.127 598 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 598 L C 2.115 178.972 176.870 -0.022 0.000 1.089 598 L CA 1.812 56.635 54.840 -0.029 0.000 0.757 598 L CB -1.487 40.547 42.059 -0.042 0.000 0.899 598 L HN -0.086 nan 8.230 nan 0.000 0.434 599 A N -1.119 121.691 122.820 -0.016 0.000 2.131 599 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 599 A C 2.124 179.701 177.584 -0.012 0.000 1.158 599 A CA 1.687 53.717 52.037 -0.012 0.000 0.665 599 A CB -0.786 18.211 19.000 -0.005 0.000 0.795 599 A HN 0.449 nan 8.150 nan 0.000 0.460 600 L N -0.634 120.580 121.223 -0.015 0.000 2.418 600 L HA 0.137 4.477 4.340 -0.000 0.000 0.218 600 L C 0.640 177.496 176.870 -0.023 0.000 1.125 600 L CA 0.763 55.591 54.840 -0.019 0.000 0.835 600 L CB -0.083 41.962 42.059 -0.025 0.000 0.953 600 L HN 0.095 nan 8.230 nan 0.000 0.454 601 V N 2.152 122.053 119.914 -0.023 0.000 2.455 601 V HA 0.334 4.454 4.120 -0.000 0.000 0.273 601 V C -0.299 175.783 176.094 -0.020 0.000 1.045 601 V CA -0.255 62.031 62.300 -0.024 0.000 0.976 601 V CB 0.648 32.456 31.823 -0.025 0.000 0.993 601 V HN 0.524 nan 8.190 nan 0.000 0.475 602 D N 2.590 122.979 120.400 -0.019 0.000 2.677 602 D HA 0.227 4.867 4.640 -0.000 0.000 0.298 602 D C 0.629 176.921 176.300 -0.014 0.000 1.250 602 D CA -0.904 53.087 54.000 -0.015 0.000 0.888 602 D CB 1.062 41.854 40.800 -0.012 0.000 1.397 602 D HN 0.108 nan 8.370 nan 0.000 0.461 603 K N -0.773 119.621 120.400 -0.010 0.000 2.160 603 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 603 K C 1.322 177.917 176.600 -0.007 0.000 1.047 603 K CA 1.302 57.584 56.287 -0.008 0.000 0.930 603 K CB -0.241 32.256 32.500 -0.004 0.000 0.720 603 K HN 0.450 nan 8.250 nan 0.000 0.450 604 L N 0.237 121.455 121.223 -0.010 0.000 2.607 604 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 604 L C 0.440 177.295 176.870 -0.025 0.000 1.123 604 L CA -0.482 54.350 54.840 -0.012 0.000 0.890 604 L CB 0.148 42.202 42.059 -0.008 0.000 1.103 604 L HN 0.148 nan 8.230 nan 0.000 0.468 605 M N 1.930 121.515 119.600 -0.026 0.000 2.063 605 M HA 0.448 4.927 4.480 -0.000 0.000 0.348 605 M C -2.581 173.697 176.300 -0.036 0.000 1.180 605 M CA -2.634 52.645 55.300 -0.036 0.000 1.059 605 M CB 0.655 33.234 32.600 -0.034 0.000 1.544 605 M HN -0.285 nan 8.290 nan 0.000 0.447 606 P HA 0.289 nan 4.420 nan 0.000 0.271 606 P C -1.303 175.978 177.300 -0.032 0.000 1.216 606 P CA -0.328 62.750 63.100 -0.038 0.000 0.776 606 P CB 0.703 32.373 31.700 -0.049 0.000 0.881 607 V N 4.451 124.352 119.914 -0.022 0.000 2.760 607 V HA 0.421 4.540 4.120 -0.000 0.000 0.309 607 V C -0.064 176.023 176.094 -0.012 0.000 1.077 607 V CA -0.496 61.792 62.300 -0.020 0.000 0.910 607 V CB 2.062 33.872 31.823 -0.022 0.000 1.008 607 V HN 0.383 nan 8.190 nan 0.000 0.424 608 I N 4.660 125.225 120.570 -0.008 0.000 2.404 608 I HA 0.591 4.761 4.170 -0.000 0.000 0.293 608 I C -0.392 175.722 176.117 -0.005 0.000 0.992 608 I CA -0.410 60.888 61.300 -0.003 0.000 1.149 608 I CB 1.836 39.839 38.000 0.005 0.000 1.315 608 I HN 0.571 nan 8.210 nan 0.000 0.446 609 M N 7.066 126.659 119.600 -0.012 0.000 2.393 609 M HA 0.579 5.059 4.480 -0.000 0.000 0.316 609 M C -1.505 174.778 176.300 -0.029 0.000 1.087 609 M CA -0.342 54.946 55.300 -0.019 0.000 0.937 609 M CB 2.133 34.714 32.600 -0.032 0.000 1.668 609 M HN 0.404 nan 8.290 nan 0.000 0.438 610 I N 6.037 126.589 120.570 -0.030 0.000 2.339 610 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 610 I C -0.910 175.148 176.117 -0.098 0.000 0.994 610 I CA -0.294 60.965 61.300 -0.069 0.000 1.191 610 I CB 1.006 38.977 38.000 -0.048 0.000 1.343 610 I HN 0.606 nan 8.210 nan 0.000 0.458 611 I N 6.976 127.478 120.570 -0.114 0.000 2.542 611 I HA 0.328 4.498 4.170 -0.000 0.000 0.278 611 I C -0.477 175.621 176.117 -0.032 0.000 1.069 611 I CA -0.307 60.937 61.300 -0.093 0.000 1.100 611 I CB 0.975 38.901 38.000 -0.124 0.000 1.204 611 I HN 0.439 nan 8.210 nan 0.000 0.470 612 M N 3.451 123.035 119.600 -0.026 0.000 2.753 612 M HA 0.443 4.923 4.480 -0.000 0.000 0.299 612 M C 0.494 176.932 176.300 0.230 0.000 1.219 612 M CA -0.692 54.642 55.300 0.056 0.000 0.900 612 M CB 1.378 33.945 32.600 -0.056 0.000 1.628 612 M HN 0.425 nan 8.290 nan 0.000 0.502 613 R N 2.397 123.027 120.500 0.217 0.000 3.268 613 R HA 0.114 4.454 4.340 -0.000 0.000 0.217 613 R C -1.278 175.155 176.300 0.221 0.000 1.568 613 R CA 0.199 56.401 56.100 0.171 0.000 1.322 613 R CB -0.706 29.639 30.300 0.075 0.000 1.280 613 R HN 0.724 nan 8.270 nan 0.000 0.667 614 D N -1.311 119.228 120.400 0.233 0.000 2.798 614 D HA -0.023 4.617 4.640 -0.000 0.000 0.308 614 D C 0.757 177.191 176.300 0.223 0.000 1.187 614 D CA -0.655 53.496 54.000 0.252 0.000 1.033 614 D CB 0.081 41.074 40.800 0.320 0.000 1.445 614 D HN 0.337 nan 8.370 nan 0.000 0.550 615 H N -2.777 116.410 119.070 0.195 0.000 2.545 615 H HA 0.059 4.615 4.556 -0.000 0.000 0.282 615 H C 1.083 176.499 175.328 0.145 0.000 1.020 615 H CA 1.521 57.657 56.048 0.147 0.000 1.243 615 H CB -0.429 29.403 29.762 0.116 0.000 1.377 615 H HN 0.379 nan 8.280 nan 0.000 0.581 616 T N -3.601 110.800 114.554 -0.256 0.000 3.107 616 T HA -0.073 4.277 4.350 -0.000 0.000 0.249 616 T C 1.518 176.227 174.700 0.015 0.000 1.096 616 T CA -0.134 61.871 62.100 -0.158 0.000 1.012 616 T CB -0.654 68.093 68.868 -0.202 0.000 0.977 616 T HN 0.481 nan 8.240 nan 0.000 0.527 617 Y N 2.772 123.058 120.300 -0.023 0.000 2.040 617 Y HA -0.142 4.408 4.550 -0.000 0.000 0.275 617 Y C 2.728 178.625 175.900 -0.005 0.000 1.171 617 Y CA 1.912 60.011 58.100 -0.002 0.000 1.123 617 Y CB -0.935 37.535 38.460 0.016 0.000 0.963 617 Y HN 0.318 nan 8.280 nan 0.000 0.493 618 A N 0.051 122.960 122.820 0.148 0.000 1.948 618 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 618 A C 2.171 179.725 177.584 -0.050 0.000 1.177 618 A CA 2.278 54.344 52.037 0.048 0.000 0.636 618 A CB -0.648 18.413 19.000 0.100 0.000 0.815 618 A HN 0.595 nan 8.150 nan 0.000 0.449 619 K N -1.056 119.323 120.400 -0.036 0.000 2.097 619 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 619 K C 2.012 178.558 176.600 -0.090 0.000 1.050 619 K CA 1.256 57.512 56.287 -0.052 0.000 0.938 619 K CB -0.426 32.053 32.500 -0.035 0.000 0.718 619 K HN 0.552 nan 8.250 nan 0.000 0.442 620 C N 1.333 120.558 119.300 -0.125 0.000 2.425 620 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 620 C C 2.613 177.487 174.990 -0.193 0.000 1.280 620 C CA 0.551 59.478 59.018 -0.152 0.000 1.744 620 C CB -0.556 27.082 27.740 -0.170 0.000 1.989 620 C HN 0.470 nan 8.230 nan 0.000 0.491 621 Q N 0.976 120.613 119.800 -0.272 0.000 2.167 621 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 621 Q C 1.894 177.817 176.000 -0.130 0.000 0.970 621 Q CA 1.137 56.800 55.803 -0.234 0.000 0.855 621 Q CB -0.603 27.970 28.738 -0.276 0.000 0.911 621 Q HN 0.695 nan 8.270 nan 0.000 0.438 622 N N 1.126 119.764 118.700 -0.103 0.000 2.084 622 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 622 N C 1.729 177.196 175.510 -0.072 0.000 1.030 622 N CA 1.515 54.521 53.050 -0.072 0.000 0.849 622 N CB -0.373 38.079 38.487 -0.058 0.000 1.012 622 N HN 0.248 nan 8.380 nan 0.000 0.423 623 A N 1.196 123.969 122.820 -0.079 0.000 1.902 623 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 623 A C 2.245 179.789 177.584 -0.066 0.000 1.181 623 A CA 1.061 53.055 52.037 -0.071 0.000 0.623 623 A CB -0.749 18.211 19.000 -0.067 0.000 0.818 623 A HN 0.243 nan 8.150 nan 0.000 0.443 624 L N -0.140 121.037 121.223 -0.078 0.000 2.017 624 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 624 L C 2.423 179.260 176.870 -0.056 0.000 1.073 624 L CA 2.466 57.265 54.840 -0.069 0.000 0.745 624 L CB -0.834 41.172 42.059 -0.088 0.000 0.894 624 L HN 0.516 nan 8.230 nan 0.000 0.432 625 Q N -1.044 118.721 119.800 -0.058 0.000 2.124 625 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 625 Q C 2.228 178.204 176.000 -0.041 0.000 0.977 625 Q CA 1.921 57.697 55.803 -0.045 0.000 0.850 625 Q CB -0.194 28.518 28.738 -0.043 0.000 0.901 625 Q HN 0.650 nan 8.270 nan 0.000 0.429 626 Q N -0.284 119.489 119.800 -0.046 0.000 2.096 626 Q HA -0.153 4.186 4.340 -0.000 0.000 0.204 626 Q C 2.180 178.157 176.000 -0.039 0.000 0.982 626 Q CA 1.554 57.330 55.803 -0.045 0.000 0.850 626 Q CB -0.043 28.662 28.738 -0.055 0.000 0.901 626 Q HN 0.213 nan 8.270 nan 0.000 0.422 627 V N -0.087 119.803 119.914 -0.040 0.000 2.307 627 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 627 V C 2.166 178.242 176.094 -0.029 0.000 1.045 627 V CA 1.294 63.574 62.300 -0.034 0.000 1.024 627 V CB -0.355 31.448 31.823 -0.035 0.000 0.651 627 V HN 0.185 nan 8.190 nan 0.000 0.449 628 V N 0.423 120.320 119.914 -0.029 0.000 2.343 628 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 628 V C 2.687 178.768 176.094 -0.021 0.000 1.051 628 V CA 1.911 64.197 62.300 -0.023 0.000 1.036 628 V CB -1.026 30.783 31.823 -0.023 0.000 0.654 628 V HN 0.561 nan 8.190 nan 0.000 0.451 629 A N -0.275 122.531 122.820 -0.023 0.000 2.070 629 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 629 A C 2.021 179.594 177.584 -0.019 0.000 1.159 629 A CA 1.262 53.287 52.037 -0.021 0.000 0.656 629 A CB -0.362 18.624 19.000 -0.023 0.000 0.800 629 A HN 0.560 nan 8.150 nan 0.000 0.453 630 R N -0.884 119.604 120.500 -0.020 0.000 2.694 630 R HA 0.141 4.481 4.340 -0.000 0.000 0.334 630 R C -0.296 175.995 176.300 -0.016 0.000 1.143 630 R CA -0.079 56.011 56.100 -0.018 0.000 1.073 630 R CB 0.350 30.638 30.300 -0.021 0.000 1.366 630 R HN 0.445 nan 8.270 nan 0.000 0.577 631 Q N -1.824 117.967 119.800 -0.015 0.000 2.424 631 Q HA -0.128 4.212 4.340 -0.000 0.000 0.234 631 Q C 0.237 176.229 176.000 -0.013 0.000 0.748 631 Q CA 1.317 57.113 55.803 -0.012 0.000 1.286 631 Q CB -2.087 26.645 28.738 -0.010 0.000 1.494 631 Q HN 0.595 nan 8.270 nan 0.000 0.683 632 G N 0.694 109.484 108.800 -0.016 0.000 2.442 632 G HA2 0.410 4.370 3.960 -0.000 0.000 0.249 632 G HA3 0.410 4.370 3.960 -0.000 0.000 0.249 632 G C -0.033 174.858 174.900 -0.014 0.000 1.263 632 G CA -0.517 44.573 45.100 -0.017 0.000 0.846 632 G HN 0.132 nan 8.290 nan 0.000 0.555 633 R N 2.919 123.412 120.500 -0.012 0.000 2.505 633 R HA 0.237 4.577 4.340 -0.000 0.000 0.284 633 R C -2.314 173.981 176.300 -0.009 0.000 1.324 633 R CA -1.223 54.872 56.100 -0.009 0.000 1.432 633 R CB 1.486 31.784 30.300 -0.004 0.000 1.107 633 R HN 0.459 nan 8.270 nan 0.000 0.587 634 P HA 0.118 nan 4.420 nan 0.000 0.278 634 P C -0.008 177.287 177.300 -0.008 0.000 1.238 634 P CA -0.376 62.716 63.100 -0.013 0.000 0.794 634 P CB 1.235 32.923 31.700 -0.019 0.000 0.955 635 V N 2.720 122.631 119.914 -0.004 0.000 2.614 635 V HA 0.128 4.248 4.120 -0.000 0.000 0.291 635 V C 0.520 176.611 176.094 -0.006 0.000 1.049 635 V CA -0.182 62.118 62.300 0.000 0.000 1.038 635 V CB 1.274 33.102 31.823 0.008 0.000 0.980 635 V HN 0.277 nan 8.190 nan 0.000 0.481 636 V N 6.343 126.253 119.914 -0.007 0.000 2.407 636 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 636 V C -0.127 175.960 176.094 -0.011 0.000 1.018 636 V CA -0.442 61.850 62.300 -0.015 0.000 0.842 636 V CB 1.672 33.483 31.823 -0.020 0.000 0.996 636 V HN 0.670 nan 8.190 nan 0.000 0.426 637 I N 5.952 126.511 120.570 -0.018 0.000 2.322 637 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 637 I C 0.433 176.529 176.117 -0.034 0.000 1.060 637 I CA 0.093 61.380 61.300 -0.021 0.000 1.309 637 I CB 0.333 38.319 38.000 -0.024 0.000 1.415 637 I HN 0.819 nan 8.210 nan 0.000 0.492 638 C N 2.894 122.187 119.300 -0.012 0.000 3.108 638 C HA 0.502 4.962 4.460 -0.000 0.000 0.321 638 C C -0.058 174.946 174.990 0.024 0.000 1.357 638 C CA -1.067 57.955 59.018 0.006 0.000 1.562 638 C CB 1.663 29.421 27.740 0.029 0.000 2.003 638 C HN 0.708 nan 8.230 nan 0.000 0.460 639 D N 0.709 121.142 120.400 0.055 0.000 2.443 639 D HA 0.017 4.657 4.640 -0.000 0.000 0.239 639 D C 0.812 177.137 176.300 0.042 0.000 1.136 639 D CA 0.382 54.420 54.000 0.065 0.000 0.879 639 D CB 0.886 41.735 40.800 0.083 0.000 1.195 639 D HN 0.744 nan 8.370 nan 0.000 0.443 640 K N 2.197 122.619 120.400 0.037 0.000 2.147 640 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 640 K C 1.077 177.685 176.600 0.012 0.000 1.049 640 K CA 1.225 57.526 56.287 0.023 0.000 0.936 640 K CB 0.216 32.730 32.500 0.023 0.000 0.722 640 K HN 0.480 nan 8.250 nan 0.000 0.446 641 E N 0.178 120.380 120.200 0.003 0.000 2.481 641 E HA -0.046 4.304 4.350 -0.000 0.000 0.198 641 E C -0.415 176.173 176.600 -0.020 0.000 1.027 641 E CA -0.134 56.255 56.400 -0.018 0.000 0.900 641 E CB 0.351 30.024 29.700 -0.045 0.000 0.993 641 E HN 0.180 nan 8.360 nan 0.000 0.482 642 D N 2.077 122.479 120.400 0.004 0.000 2.498 642 D HA -0.034 4.606 4.640 -0.000 0.000 0.229 642 D C 1.216 177.537 176.300 0.036 0.000 1.188 642 D CA 0.180 54.196 54.000 0.027 0.000 1.028 642 D CB 0.384 41.242 40.800 0.096 0.000 1.087 642 D HN 0.053 nan 8.370 nan 0.000 0.510 643 T N 0.289 114.852 114.554 0.014 0.000 2.759 643 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 643 T C 1.502 176.219 174.700 0.029 0.000 1.042 643 T CA 0.756 62.865 62.100 0.015 0.000 1.140 643 T CB 0.013 68.882 68.868 0.003 0.000 0.864 643 T HN 0.235 nan 8.240 nan 0.000 0.455 644 E N 1.288 121.516 120.200 0.046 0.000 2.017 644 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 644 E C 2.609 179.242 176.600 0.055 0.000 0.997 644 E CA 1.752 58.187 56.400 0.057 0.000 0.804 644 E CB -1.031 28.724 29.700 0.091 0.000 0.757 644 E HN 0.572 nan 8.360 nan 0.000 0.448 645 T N 1.996 116.597 114.554 0.077 0.000 2.746 645 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 645 T C 2.167 176.883 174.700 0.028 0.000 1.039 645 T CA 0.981 63.109 62.100 0.047 0.000 1.142 645 T CB -0.262 68.641 68.868 0.057 0.000 0.866 645 T HN 0.096 nan 8.240 nan 0.000 0.444 646 I N 0.701 121.290 120.570 0.031 0.000 2.226 646 I HA -0.183 3.986 4.170 -0.000 0.000 0.245 646 I C 2.629 178.754 176.117 0.014 0.000 1.100 646 I CA 1.299 62.610 61.300 0.020 0.000 1.374 646 I CB -0.279 37.732 38.000 0.019 0.000 1.057 646 I HN 0.180 nan 8.210 nan 0.000 0.413 647 K N 0.788 121.197 120.400 0.016 0.000 2.057 647 K HA -0.141 4.178 4.320 -0.000 0.000 0.206 647 K C 1.726 178.331 176.600 0.009 0.000 1.050 647 K CA 1.306 57.600 56.287 0.012 0.000 0.935 647 K CB 0.057 32.564 32.500 0.012 0.000 0.715 647 K HN 0.285 nan 8.250 nan 0.000 0.439 648 N N -0.070 118.635 118.700 0.009 0.000 2.463 648 N HA -0.023 4.717 4.740 -0.000 0.000 0.181 648 N C -0.299 175.211 175.510 -0.001 0.000 1.078 648 N CA 0.611 53.663 53.050 0.004 0.000 0.902 648 N CB 0.685 39.174 38.487 0.003 0.000 0.970 648 N HN 0.064 nan 8.380 nan 0.000 0.451 649 T N 0.077 114.631 114.554 0.000 0.000 2.863 649 T HA 0.200 4.550 4.350 -0.000 0.000 0.285 649 T C 1.120 175.821 174.700 0.002 0.000 1.009 649 T CA -0.666 61.433 62.100 -0.002 0.000 0.989 649 T CB 3.197 72.061 68.868 -0.006 0.000 1.004 649 T HN -0.062 nan 8.240 nan 0.000 0.455 650 K N 1.858 122.259 120.400 0.001 0.000 1.965 650 K HA 0.046 4.366 4.320 -0.000 0.000 0.214 650 K C 0.674 177.278 176.600 0.006 0.000 1.046 650 K CA 1.036 57.325 56.287 0.004 0.000 0.944 650 K CB 0.191 32.693 32.500 0.004 0.000 0.726 650 K HN 0.208 nan 8.250 nan 0.000 0.441 651 R N 1.986 122.489 120.500 0.006 0.000 2.196 651 R HA 0.124 4.464 4.340 -0.000 0.000 0.340 651 R C -0.988 175.316 176.300 0.007 0.000 1.043 651 R CA 0.060 56.165 56.100 0.009 0.000 0.883 651 R CB 1.042 31.349 30.300 0.012 0.000 1.078 651 R HN 0.472 nan 8.270 nan 0.000 0.462 652 T N 1.080 115.639 114.554 0.008 0.000 2.848 652 T HA 0.531 4.881 4.350 -0.000 0.000 0.285 652 T C 0.450 175.156 174.700 0.010 0.000 0.995 652 T CA -0.712 61.392 62.100 0.008 0.000 0.970 652 T CB 1.509 70.382 68.868 0.009 0.000 0.976 652 T HN 0.352 nan 8.240 nan 0.000 0.441 653 I N 2.880 123.456 120.570 0.009 0.000 2.297 653 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 653 I C 0.272 176.395 176.117 0.009 0.000 1.033 653 I CA -0.654 60.653 61.300 0.011 0.000 1.253 653 I CB 0.888 38.896 38.000 0.014 0.000 1.396 653 I HN 0.497 nan 8.210 nan 0.000 0.476 654 K N 6.794 127.200 120.400 0.011 0.000 2.300 654 K HA 0.374 4.694 4.320 -0.000 0.000 0.264 654 K C -0.439 176.168 176.600 0.012 0.000 1.083 654 K CA -0.461 55.833 56.287 0.013 0.000 0.958 654 K CB 1.324 33.833 32.500 0.014 0.000 1.318 654 K HN 0.510 nan 8.250 nan 0.000 0.448 655 V N 0.479 120.401 119.914 0.012 0.000 2.837 655 V HA 0.609 4.729 4.120 -0.000 0.000 0.310 655 V C -2.398 173.710 176.094 0.022 0.000 1.059 655 V CA -2.597 59.709 62.300 0.009 0.000 1.004 655 V CB 1.172 32.995 31.823 0.001 0.000 1.045 655 V HN 0.484 nan 8.190 nan 0.000 0.465 656 P HA 0.177 nan 4.420 nan 0.000 0.274 656 P C -0.984 176.350 177.300 0.056 0.000 1.231 656 P CA 0.076 63.197 63.100 0.035 0.000 0.790 656 P CB 0.330 32.037 31.700 0.011 0.000 0.951 657 H N 0.618 119.680 119.070 -0.012 0.000 2.722 657 H HA 0.378 4.934 4.556 -0.000 0.000 0.328 657 H C 0.045 175.364 175.328 -0.015 0.000 1.067 657 H CA 0.608 56.651 56.048 -0.009 0.000 1.447 657 H CB 0.397 30.154 29.762 -0.009 0.000 1.469 657 H HN 0.286 nan 8.280 nan 0.000 0.544 658 S N 2.993 118.378 115.700 -0.524 0.000 2.810 658 S HA 0.508 4.978 4.470 -0.000 0.000 0.315 658 S C -0.807 173.434 174.600 -0.599 0.000 1.138 658 S CA -0.629 57.311 58.200 -0.434 0.000 0.889 658 S CB 0.680 63.744 63.200 -0.228 0.000 1.236 658 S HN 0.461 nan 8.310 nan 0.000 0.548 659 V N 3.535 123.265 119.914 -0.306 0.000 2.788 659 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 659 V C 1.379 177.333 176.094 -0.232 0.000 1.069 659 V CA 0.698 62.871 62.300 -0.212 0.000 1.173 659 V CB 0.289 32.046 31.823 -0.110 0.000 0.925 659 V HN 1.026 nan 8.190 nan 0.000 0.492 660 D N 3.507 123.795 120.400 -0.186 0.000 2.133 660 D HA -0.253 4.387 4.640 -0.000 0.000 0.192 660 D C 1.744 177.586 176.300 -0.764 0.000 1.001 660 D CA 2.226 56.059 54.000 -0.278 0.000 0.844 660 D CB -0.843 39.922 40.800 -0.057 0.000 0.944 660 D HN 0.777 nan 8.370 nan 0.000 0.447 661 C N -0.875 118.000 119.300 -0.708 0.000 2.511 661 C HA 0.358 4.818 4.460 -0.000 0.000 0.277 661 C C 2.336 177.252 174.990 -0.124 0.000 1.451 661 C CA -0.512 58.122 59.018 -0.640 0.000 1.735 661 C CB -1.749 25.882 27.740 -0.183 0.000 1.704 661 C HN 0.329 nan 8.230 nan 0.000 0.571 662 L N -0.676 120.458 121.223 -0.148 0.000 2.575 662 L HA 0.091 4.431 4.340 -0.000 0.000 0.228 662 L C 2.666 179.420 176.870 -0.193 0.000 1.075 662 L CA 0.216 54.985 54.840 -0.118 0.000 0.867 662 L CB -0.662 41.319 42.059 -0.130 0.000 1.097 662 L HN 0.152 nan 8.230 nan 0.000 0.485 663 Q N 0.759 120.478 119.800 -0.135 0.000 2.197 663 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 663 Q C 2.135 178.194 176.000 0.098 0.000 0.984 663 Q CA 1.708 57.508 55.803 -0.005 0.000 0.869 663 Q CB -0.386 28.445 28.738 0.156 0.000 0.906 663 Q HN 0.553 nan 8.270 nan 0.000 0.426 664 G N 0.394 109.218 108.800 0.040 0.000 2.462 664 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 664 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 664 G C 1.524 176.427 174.900 0.003 0.000 1.121 664 G CA 0.530 45.705 45.100 0.125 0.000 0.758 664 G HN 0.345 nan 8.290 nan 0.000 0.559 665 I N 0.132 120.475 120.570 -0.379 0.000 2.252 665 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 665 I C 2.579 178.611 176.117 -0.142 0.000 1.102 665 I CA 0.695 61.758 61.300 -0.394 0.000 1.385 665 I CB -0.114 37.519 38.000 -0.611 0.000 1.064 665 I HN 0.122 nan 8.210 nan 0.000 0.414 666 L N -0.538 120.619 121.223 -0.110 0.000 2.156 666 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 666 L C 2.322 179.192 176.870 0.001 0.000 1.095 666 L CA 0.941 55.748 54.840 -0.055 0.000 0.770 666 L CB -0.435 41.592 42.059 -0.054 0.000 0.914 666 L HN 0.117 nan 8.230 nan 0.000 0.439 667 S N -1.077 114.661 115.700 0.063 0.000 2.528 667 S HA -0.030 4.440 4.470 -0.000 0.000 0.219 667 S C 1.734 176.389 174.600 0.091 0.000 0.985 667 S CA 0.225 58.475 58.200 0.084 0.000 0.914 667 S CB 0.521 63.799 63.200 0.130 0.000 0.776 667 S HN 0.203 nan 8.310 nan 0.000 0.526 668 V N 1.635 121.610 119.914 0.101 0.000 2.788 668 V HA 0.053 4.173 4.120 -0.000 0.000 0.251 668 V C 1.631 177.745 176.094 0.033 0.000 1.068 668 V CA 0.987 63.335 62.300 0.080 0.000 1.090 668 V CB -0.287 31.619 31.823 0.140 0.000 0.710 668 V HN 0.452 nan 8.190 nan 0.000 0.467 669 I N 0.729 121.308 120.570 0.015 0.000 2.179 669 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 669 I C -0.175 175.935 176.117 -0.012 0.000 1.088 669 I CA 1.536 62.824 61.300 -0.021 0.000 1.357 669 I CB -1.512 36.449 38.000 -0.065 0.000 1.051 669 I HN 0.344 nan 8.210 nan 0.000 0.409 670 P HA -0.187 nan 4.420 nan 0.000 0.217 670 P C 1.811 179.141 177.300 0.051 0.000 1.148 670 P CA 1.573 64.691 63.100 0.030 0.000 0.834 670 P CB -0.012 31.703 31.700 0.026 0.000 0.783 671 L N -1.473 119.771 121.223 0.036 0.000 2.131 671 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 671 L C 2.602 179.496 176.870 0.041 0.000 1.087 671 L CA 1.151 56.014 54.840 0.037 0.000 0.767 671 L CB -0.886 41.183 42.059 0.016 0.000 0.917 671 L HN -0.031 nan 8.230 nan 0.000 0.441 672 Q N 0.249 120.063 119.800 0.024 0.000 2.061 672 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 672 Q C 2.327 178.373 176.000 0.077 0.000 0.984 672 Q CA 1.507 57.326 55.803 0.027 0.000 0.846 672 Q CB -0.235 28.500 28.738 -0.004 0.000 0.902 672 Q HN 0.485 nan 8.270 nan 0.000 0.421 673 L N -0.046 121.230 121.223 0.088 0.000 2.093 673 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 673 L C 2.306 179.352 176.870 0.292 0.000 1.085 673 L CA 0.351 55.301 54.840 0.182 0.000 0.755 673 L CB -0.335 41.843 42.059 0.197 0.000 0.904 673 L HN 0.251 nan 8.230 nan 0.000 0.435 674 L N 0.225 121.574 121.223 0.209 0.000 2.027 674 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 674 L C 2.681 179.649 176.870 0.163 0.000 1.074 674 L CA 1.991 56.950 54.840 0.198 0.000 0.745 674 L CB -0.791 41.342 42.059 0.123 0.000 0.898 674 L HN 0.144 nan 8.230 nan 0.000 0.433 675 A N -0.809 122.081 122.820 0.117 0.000 1.917 675 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 675 A C 2.298 179.933 177.584 0.084 0.000 1.182 675 A CA 2.153 54.237 52.037 0.079 0.000 0.633 675 A CB -1.270 17.762 19.000 0.053 0.000 0.819 675 A HN 0.576 nan 8.150 nan 0.000 0.448 676 F N 0.188 120.122 119.950 -0.026 0.000 2.075 676 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 676 F C 2.498 178.240 175.800 -0.096 0.000 1.113 676 F CA 2.259 60.203 58.000 -0.092 0.000 1.218 676 F CB -0.420 38.473 39.000 -0.177 0.000 0.984 676 F HN 0.363 nan 8.300 nan 0.000 0.472 677 H N -0.211 118.860 119.070 0.001 0.000 2.357 677 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 677 H C 2.345 177.591 175.328 -0.136 0.000 1.082 677 H CA 1.548 57.526 56.048 -0.116 0.000 1.342 677 H CB -0.591 29.222 29.762 0.086 0.000 1.389 677 H HN 0.248 nan 8.280 nan 0.000 0.511 678 L N 0.965 122.237 121.223 0.082 0.000 2.013 678 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 678 L C 2.756 179.620 176.870 -0.011 0.000 1.073 678 L CA 1.826 56.705 54.840 0.066 0.000 0.753 678 L CB -1.293 40.824 42.059 0.096 0.000 0.890 678 L HN 0.212 nan 8.230 nan 0.000 0.432 679 A N -1.289 121.495 122.820 -0.061 0.000 1.858 679 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 679 A C 2.427 179.923 177.584 -0.146 0.000 1.190 679 A CA 1.983 53.999 52.037 -0.035 0.000 0.617 679 A CB -1.043 17.915 19.000 -0.071 0.000 0.827 679 A HN 0.215 nan 8.150 nan 0.000 0.443 680 V N 0.069 119.798 119.914 -0.309 0.000 2.252 680 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 680 V C 2.618 178.552 176.094 -0.267 0.000 1.056 680 V CA 2.257 64.368 62.300 -0.317 0.000 1.022 680 V CB -0.793 30.772 31.823 -0.431 0.000 0.641 680 V HN 0.591 nan 8.190 nan 0.000 0.445 681 L N -0.659 120.395 121.223 -0.281 0.000 2.043 681 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 681 L C 2.621 179.213 176.870 -0.463 0.000 1.075 681 L CA 1.756 56.330 54.840 -0.442 0.000 0.752 681 L CB -0.515 41.180 42.059 -0.607 0.000 0.891 681 L HN 0.243 nan 8.230 nan 0.000 0.432 682 R N -0.331 119.975 120.500 -0.324 0.000 2.316 682 R HA 0.015 4.355 4.340 -0.000 0.000 0.202 682 R C 1.296 177.238 176.300 -0.595 0.000 1.029 682 R CA 0.638 56.520 56.100 -0.362 0.000 1.018 682 R CB -0.064 30.047 30.300 -0.315 0.000 0.888 682 R HN 0.527 nan 8.270 nan 0.000 0.471 683 G N -0.130 108.409 108.800 -0.435 0.000 2.141 683 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 683 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 683 G C -0.300 174.455 174.900 -0.241 0.000 0.982 683 G CA -0.202 44.711 45.100 -0.311 0.000 0.662 683 G HN 0.202 nan 8.290 nan 0.000 0.527 684 Y N 0.412 120.707 120.300 -0.009 0.000 2.316 684 Y HA 0.600 5.150 4.550 -0.000 0.000 0.324 684 Y C 0.514 176.406 175.900 -0.013 0.000 1.267 684 Y CA -1.515 56.601 58.100 0.027 0.000 1.311 684 Y CB 0.813 39.305 38.460 0.054 0.000 1.267 684 Y HN 0.090 nan 8.280 nan 0.000 0.516 685 D N 0.446 120.971 120.400 0.209 0.000 2.349 685 D HA 0.217 4.857 4.640 -0.000 0.000 0.232 685 D C 0.655 177.034 176.300 0.131 0.000 1.071 685 D CA -0.428 53.647 54.000 0.124 0.000 0.832 685 D CB 1.428 42.295 40.800 0.111 0.000 1.086 685 D HN 0.368 nan 8.370 nan 0.000 0.504 686 V N 0.776 120.758 119.914 0.114 0.000 3.078 686 V HA 0.050 4.170 4.120 -0.000 0.000 0.265 686 V C 0.352 176.529 176.094 0.138 0.000 1.122 686 V CA 0.805 63.177 62.300 0.120 0.000 1.141 686 V CB -0.466 31.464 31.823 0.179 0.000 0.735 686 V HN 0.330 nan 8.190 nan 0.000 0.498 687 D N 0.000 120.492 120.400 0.154 0.000 6.856 687 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 687 D CA 0.000 54.095 54.000 0.158 0.000 0.868 687 D CB 0.000 40.933 40.800 0.221 0.000 0.688 687 D HN 0.000 nan 8.370 nan 0.000 0.683