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 1v6v_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 501 A HA 0.000 nan 4.320 nan 0.000 0.244 501 A C 0.000 177.575 177.584 -0.015 0.000 1.274 501 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 501 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 502 E N 0.824 121.013 120.200 -0.019 0.000 2.404 502 E HA 0.275 4.625 4.350 -0.000 0.000 0.261 502 E C 1.300 177.889 176.600 -0.018 0.000 1.074 502 E CA 0.748 57.137 56.400 -0.017 0.000 0.917 502 E CB 1.082 30.771 29.700 -0.019 0.000 0.965 502 E HN 0.808 nan 8.360 nan 0.000 0.433 503 S N -0.413 115.283 115.700 -0.007 0.000 2.535 503 S HA 0.048 4.518 4.470 -0.000 0.000 0.214 503 S C 0.725 175.347 174.600 0.037 0.000 0.980 503 S CA 0.006 58.214 58.200 0.013 0.000 0.907 503 S CB 0.009 63.217 63.200 0.013 0.000 0.790 503 S HN 0.472 nan 8.310 nan 0.000 0.510 504 T N -1.257 113.299 114.554 0.003 0.000 2.916 504 T HA 0.643 4.993 4.350 -0.000 0.000 0.292 504 T C 0.892 175.539 174.700 -0.087 0.000 1.055 504 T CA -0.967 61.134 62.100 0.002 0.000 1.009 504 T CB 1.178 70.033 68.868 -0.022 0.000 1.118 504 T HN 0.008 nan 8.240 nan 0.000 0.497 505 L N 1.123 122.240 121.223 -0.177 0.000 2.012 505 L HA 0.071 4.411 4.340 -0.000 0.000 0.210 505 L C 2.977 179.791 176.870 -0.093 0.000 1.073 505 L CA 1.879 56.510 54.840 -0.349 0.000 0.748 505 L CB -1.085 40.570 42.059 -0.673 0.000 0.891 505 L HN 0.987 nan 8.230 nan 0.000 0.431 506 G N -0.355 108.458 108.800 0.021 0.000 2.421 506 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 506 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 506 G C 1.781 176.736 174.900 0.092 0.000 1.171 506 G CA 0.850 46.040 45.100 0.151 0.000 0.775 506 G HN 0.465 nan 8.290 nan 0.000 0.543 507 A N 1.072 123.912 122.820 0.033 0.000 1.933 507 A HA 0.257 4.577 4.320 -0.000 0.000 0.218 507 A C 2.797 180.389 177.584 0.015 0.000 1.175 507 A CA 2.305 54.354 52.037 0.021 0.000 0.628 507 A CB -0.726 18.275 19.000 0.002 0.000 0.814 507 A HN 0.792 nan 8.150 nan 0.000 0.444 508 A N -0.225 122.589 122.820 -0.010 0.000 1.898 508 A HA 0.215 4.535 4.320 -0.000 0.000 0.216 508 A C 2.493 180.084 177.584 0.012 0.000 1.181 508 A CA 1.910 53.934 52.037 -0.022 0.000 0.620 508 A CB -0.960 17.992 19.000 -0.080 0.000 0.819 508 A HN 1.026 nan 8.150 nan 0.000 0.442 509 A N -0.081 122.772 122.820 0.055 0.000 1.933 509 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 509 A C 2.429 180.059 177.584 0.077 0.000 1.175 509 A CA 1.878 53.977 52.037 0.102 0.000 0.628 509 A CB -0.932 18.201 19.000 0.222 0.000 0.814 509 A HN 1.083 nan 8.150 nan 0.000 0.444 510 A N -0.808 122.060 122.820 0.081 0.000 2.070 510 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 510 A C 1.962 179.571 177.584 0.041 0.000 1.159 510 A CA 1.413 53.491 52.037 0.068 0.000 0.656 510 A CB -0.500 18.540 19.000 0.067 0.000 0.800 510 A HN 0.668 nan 8.150 nan 0.000 0.453 511 Q N -0.109 119.709 119.800 0.029 0.000 2.437 511 Q HA -0.077 4.263 4.340 -0.000 0.000 0.210 511 Q C 1.427 177.436 176.000 0.015 0.000 0.972 511 Q CA 1.264 57.077 55.803 0.017 0.000 0.903 511 Q CB -0.068 28.675 28.738 0.007 0.000 0.967 511 Q HN 0.800 nan 8.270 nan 0.000 0.486 512 S N -2.472 113.239 115.700 0.019 0.000 2.749 512 S HA 0.358 4.828 4.470 -0.000 0.000 0.246 512 S C 0.991 175.600 174.600 0.015 0.000 1.023 512 S CA 0.069 58.276 58.200 0.013 0.000 1.012 512 S CB 1.029 64.234 63.200 0.008 0.000 0.942 512 S HN 0.377 nan 8.310 nan 0.000 0.531 513 G N 1.477 110.293 108.800 0.027 0.000 2.143 513 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 513 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 513 G C 0.057 174.982 174.900 0.041 0.000 0.991 513 G CA 0.179 45.300 45.100 0.035 0.000 0.689 513 G HN 0.635 nan 8.290 nan 0.000 0.522 514 R N -1.231 119.289 120.500 0.033 0.000 2.943 514 R HA 0.745 5.085 4.340 -0.000 0.000 0.246 514 R C -0.035 176.312 176.300 0.078 0.000 1.201 514 R CA -0.726 55.367 56.100 -0.012 0.000 1.056 514 R CB 0.908 31.156 30.300 -0.087 0.000 1.243 514 R HN 0.464 nan 8.270 nan 0.000 0.498 515 Y N -1.482 118.876 120.300 0.097 0.000 2.598 515 Y HA 0.703 5.253 4.550 -0.000 0.000 0.340 515 Y C -1.242 174.770 175.900 0.187 0.000 1.038 515 Y CA -1.775 56.402 58.100 0.129 0.000 1.100 515 Y CB 1.114 39.624 38.460 0.084 0.000 1.281 515 Y HN 0.429 nan 8.280 nan 0.000 0.488 516 F N 1.411 121.617 119.950 0.426 0.000 2.579 516 F HA 0.771 5.298 4.527 -0.000 0.000 0.325 516 F C -0.066 176.069 175.800 0.558 0.000 1.162 516 F CA -0.729 57.517 58.000 0.410 0.000 0.946 516 F CB 1.517 40.685 39.000 0.281 0.000 1.211 516 F HN 0.955 nan 8.300 nan 0.000 0.447 517 G N 2.026 111.038 108.800 0.354 0.000 3.013 517 G HA2 0.637 4.597 3.960 -0.000 0.000 0.278 517 G HA3 0.637 4.597 3.960 -0.000 0.000 0.278 517 G C -1.349 173.383 174.900 -0.280 0.000 1.353 517 G CA -0.694 44.514 45.100 0.180 0.000 1.043 517 G HN 0.620 nan 8.290 nan 0.000 0.523 518 T N -1.991 112.242 114.554 -0.535 0.000 2.812 518 T HA 0.638 4.988 4.350 -0.000 0.000 0.294 518 T C -1.037 173.403 174.700 -0.433 0.000 1.159 518 T CA 0.159 61.844 62.100 -0.692 0.000 1.008 518 T CB 1.403 69.462 68.868 -1.349 0.000 1.289 518 T HN 1.243 nan 8.240 nan 0.000 0.514 519 A N 2.721 125.240 122.820 -0.501 0.000 2.274 519 A HA 0.707 5.027 4.320 -0.000 0.000 0.309 519 A C -0.440 176.864 177.584 -0.468 0.000 1.226 519 A CA -0.589 51.048 52.037 -0.667 0.000 0.853 519 A CB 0.071 18.175 19.000 -1.493 0.000 1.146 519 A HN 0.655 nan 8.150 nan 0.000 0.518 520 I N 2.003 122.373 120.570 -0.333 0.000 2.359 520 I HA 0.471 4.641 4.170 -0.000 0.000 0.294 520 I C 0.582 176.593 176.117 -0.177 0.000 0.987 520 I CA -0.231 60.944 61.300 -0.210 0.000 1.225 520 I CB 1.380 39.242 38.000 -0.230 0.000 1.366 520 I HN 0.702 nan 8.210 nan 0.000 0.466 521 A N 4.261 127.002 122.820 -0.131 0.000 2.258 521 A HA 0.441 4.761 4.320 -0.000 0.000 0.316 521 A C 1.063 178.530 177.584 -0.194 0.000 1.279 521 A CA -0.312 51.619 52.037 -0.178 0.000 0.876 521 A CB 0.620 19.481 19.000 -0.231 0.000 1.170 521 A HN 0.835 nan 8.150 nan 0.000 0.520 522 S N 2.567 118.192 115.700 -0.124 0.000 2.400 522 S HA -0.137 4.333 4.470 -0.000 0.000 0.232 522 S C 1.724 176.247 174.600 -0.127 0.000 1.025 522 S CA 1.594 59.734 58.200 -0.101 0.000 0.993 522 S CB -0.559 62.629 63.200 -0.020 0.000 0.808 522 S HN 1.176 nan 8.310 nan 0.000 0.478 523 G N 1.189 109.906 108.800 -0.138 0.000 2.598 523 G HA2 0.008 3.967 3.960 -0.000 0.000 0.215 523 G HA3 0.008 3.967 3.960 -0.000 0.000 0.215 523 G C 1.347 176.117 174.900 -0.217 0.000 1.131 523 G CA 0.220 45.237 45.100 -0.139 0.000 0.785 523 G HN 0.603 nan 8.290 nan 0.000 0.539 524 K N -0.313 119.869 120.400 -0.364 0.000 2.358 524 K HA 0.331 4.651 4.320 -0.000 0.000 0.197 524 K C 1.786 178.144 176.600 -0.404 0.000 1.025 524 K CA -0.329 55.617 56.287 -0.569 0.000 1.104 524 K CB 0.262 32.007 32.500 -1.260 0.000 0.855 524 K HN 0.218 nan 8.250 nan 0.000 0.531 525 L N 0.382 121.457 121.223 -0.247 0.000 2.456 525 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 525 L C 1.913 178.759 176.870 -0.039 0.000 1.148 525 L CA 0.923 55.675 54.840 -0.148 0.000 0.825 525 L CB -0.286 41.643 42.059 -0.216 0.000 0.937 525 L HN 0.284 nan 8.230 nan 0.000 0.450 526 G N -1.670 107.099 108.800 -0.051 0.000 3.042 526 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.212 526 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.212 526 G C 0.212 175.110 174.900 -0.002 0.000 1.166 526 G CA -0.182 44.912 45.100 -0.010 0.000 0.767 526 G HN 0.152 nan 8.290 nan 0.000 0.546 527 D N 0.483 120.877 120.400 -0.011 0.000 2.380 527 D HA 0.303 4.943 4.640 -0.000 0.000 0.230 527 D C 1.314 177.659 176.300 0.075 0.000 1.154 527 D CA -0.238 53.770 54.000 0.013 0.000 0.859 527 D CB 1.251 42.033 40.800 -0.030 0.000 1.045 527 D HN -0.065 nan 8.370 nan 0.000 0.495 528 S N 2.546 118.280 115.700 0.057 0.000 2.383 528 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 528 S C 1.938 176.572 174.600 0.057 0.000 1.030 528 S CA 1.308 59.545 58.200 0.062 0.000 1.002 528 S CB 0.016 63.240 63.200 0.041 0.000 0.829 528 S HN 0.698 nan 8.310 nan 0.000 0.467 529 A N 0.323 123.173 122.820 0.050 0.000 1.902 529 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 529 A C 1.941 179.547 177.584 0.037 0.000 1.181 529 A CA 1.582 53.638 52.037 0.031 0.000 0.623 529 A CB -0.902 18.117 19.000 0.031 0.000 0.818 529 A HN 0.588 nan 8.150 nan 0.000 0.443 530 Y N 1.763 122.024 120.300 -0.065 0.000 2.114 530 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 530 Y C 2.953 178.805 175.900 -0.080 0.000 1.143 530 Y CA 2.705 60.748 58.100 -0.094 0.000 1.135 530 Y CB -0.694 37.697 38.460 -0.115 0.000 0.980 530 Y HN 0.441 nan 8.280 nan 0.000 0.499 531 T N -3.664 110.922 114.554 0.054 0.000 2.867 531 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 531 T C 1.830 176.589 174.700 0.099 0.000 1.057 531 T CA 1.666 63.813 62.100 0.078 0.000 1.136 531 T CB -1.059 67.957 68.868 0.248 0.000 0.874 531 T HN 0.332 nan 8.240 nan 0.000 0.466 532 T N 2.261 116.833 114.554 0.030 0.000 2.684 532 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 532 T C 1.888 176.543 174.700 -0.075 0.000 1.036 532 T CA 1.542 63.638 62.100 -0.006 0.000 1.148 532 T CB -0.460 68.393 68.868 -0.024 0.000 0.863 532 T HN 0.417 nan 8.240 nan 0.000 0.436 533 I N 1.132 121.595 120.570 -0.178 0.000 2.163 533 I HA -0.149 4.021 4.170 -0.000 0.000 0.240 533 I C 2.959 178.931 176.117 -0.243 0.000 1.081 533 I CA 1.140 62.234 61.300 -0.344 0.000 1.353 533 I CB -0.550 37.072 38.000 -0.630 0.000 1.054 533 I HN 0.184 nan 8.210 nan 0.000 0.407 534 A N -0.201 122.531 122.820 -0.147 0.000 1.908 534 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 534 A C 2.502 180.307 177.584 0.370 0.000 1.181 534 A CA 2.371 54.499 52.037 0.151 0.000 0.627 534 A CB -0.819 18.079 19.000 -0.171 0.000 0.818 534 A HN 0.404 nan 8.150 nan 0.000 0.445 535 S N -1.103 114.781 115.700 0.307 0.000 2.387 535 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 535 S C 2.206 176.812 174.600 0.010 0.000 1.026 535 S CA 1.352 59.631 58.200 0.131 0.000 0.972 535 S CB -0.334 62.895 63.200 0.048 0.000 0.814 535 S HN 0.631 nan 8.310 nan 0.000 0.477 536 R N 0.372 120.856 120.500 -0.027 0.000 2.062 536 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 536 R C 1.752 177.984 176.300 -0.114 0.000 1.128 536 R CA 1.480 57.537 56.100 -0.071 0.000 0.960 536 R CB -0.126 30.123 30.300 -0.084 0.000 0.855 536 R HN 0.344 nan 8.270 nan 0.000 0.432 537 E N -0.471 119.581 120.200 -0.247 0.000 2.318 537 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 537 E C -0.277 175.979 176.600 -0.574 0.000 0.998 537 E CA 0.453 56.569 56.400 -0.473 0.000 0.859 537 E CB 0.297 29.545 29.700 -0.753 0.000 0.812 537 E HN 0.144 nan 8.360 nan 0.000 0.492 538 F N 1.472 121.509 119.950 0.145 0.000 2.522 538 F HA 0.246 4.773 4.527 -0.000 0.000 0.324 538 F C 0.953 176.825 175.800 0.120 0.000 1.077 538 F CA -1.222 56.892 58.000 0.190 0.000 0.944 538 F CB 0.979 40.098 39.000 0.198 0.000 1.175 538 F HN -0.190 nan 8.300 nan 0.000 0.468 539 N N 0.754 119.650 118.700 0.326 0.000 2.197 539 N HA 0.330 5.070 4.740 -0.000 0.000 0.228 539 N C -0.697 174.870 175.510 0.095 0.000 1.212 539 N CA -0.076 53.074 53.050 0.166 0.000 0.883 539 N CB 0.758 39.330 38.487 0.142 0.000 1.107 539 N HN 0.577 nan 8.380 nan 0.000 0.519 540 M N 0.393 120.057 119.600 0.106 0.000 2.421 540 M HA 0.572 5.052 4.480 -0.000 0.000 0.287 540 M C -2.203 174.066 176.300 -0.051 0.000 1.183 540 M CA -0.785 54.457 55.300 -0.096 0.000 0.916 540 M CB 2.425 34.802 32.600 -0.372 0.000 1.701 540 M HN -0.163 nan 8.290 nan 0.000 0.470 541 V N 2.902 122.757 119.914 -0.098 0.000 2.709 541 V HA 0.787 4.907 4.120 -0.000 0.000 0.308 541 V C -0.741 175.280 176.094 -0.121 0.000 1.062 541 V CA -0.528 61.729 62.300 -0.070 0.000 0.901 541 V CB 2.510 34.360 31.823 0.045 0.000 1.003 541 V HN 0.902 nan 8.190 nan 0.000 0.425 542 T N 3.342 117.812 114.554 -0.139 0.000 2.841 542 T HA 0.668 5.018 4.350 -0.000 0.000 0.283 542 T C -0.020 174.597 174.700 -0.138 0.000 1.000 542 T CA -0.294 61.734 62.100 -0.119 0.000 0.977 542 T CB 1.706 70.541 68.868 -0.055 0.000 0.979 542 T HN 0.950 nan 8.240 nan 0.000 0.446 543 A N 1.905 124.690 122.820 -0.059 0.000 2.409 543 A HA 0.293 4.613 4.320 -0.000 0.000 0.267 543 A C 1.316 178.882 177.584 -0.031 0.000 1.127 543 A CA -0.360 51.657 52.037 -0.034 0.000 0.795 543 A CB 0.038 19.067 19.000 0.049 0.000 1.061 543 A HN 1.054 nan 8.150 nan 0.000 0.502 544 E N 1.867 121.967 120.200 -0.167 0.000 2.153 544 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 544 E C 0.616 177.291 176.600 0.125 0.000 0.988 544 E CA 1.571 57.844 56.400 -0.212 0.000 0.811 544 E CB 0.113 29.589 29.700 -0.374 0.000 0.746 544 E HN 0.806 nan 8.360 nan 0.000 0.466 545 N N -1.228 117.542 118.700 0.117 0.000 1.983 545 N HA -0.024 4.716 4.740 -0.000 0.000 0.234 545 N C 0.764 176.377 175.510 0.171 0.000 1.339 545 N CA 0.171 53.326 53.050 0.176 0.000 0.826 545 N CB 0.329 38.890 38.487 0.122 0.000 1.156 545 N HN -0.030 nan 8.380 nan 0.000 0.468 546 E N 0.837 121.122 120.200 0.141 0.000 2.333 546 E HA 0.057 4.407 4.350 -0.000 0.000 0.198 546 E C 1.146 177.887 176.600 0.236 0.000 1.007 546 E CA 0.988 57.486 56.400 0.164 0.000 0.845 546 E CB -0.027 29.759 29.700 0.143 0.000 0.766 546 E HN 0.358 nan 8.360 nan 0.000 0.507 547 M N -0.096 119.660 119.600 0.259 0.000 2.405 547 M HA 0.156 4.636 4.480 -0.000 0.000 0.292 547 M C -0.048 176.474 176.300 0.370 0.000 1.111 547 M CA -0.085 55.425 55.300 0.350 0.000 0.979 547 M CB 0.584 33.364 32.600 0.300 0.000 1.426 547 M HN -0.149 nan 8.290 nan 0.000 0.509 548 K N 0.510 121.087 120.400 0.295 0.000 2.118 548 K HA 0.270 4.590 4.320 -0.000 0.000 0.240 548 K C 1.100 177.862 176.600 0.271 0.000 1.035 548 K CA -0.274 56.176 56.287 0.272 0.000 0.899 548 K CB 1.209 33.866 32.500 0.261 0.000 1.085 548 K HN 0.063 nan 8.250 nan 0.000 0.498 549 I N 1.224 121.898 120.570 0.173 0.000 2.163 549 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 549 I C 2.022 178.139 176.117 0.000 0.000 1.085 549 I CA 1.509 62.795 61.300 -0.022 0.000 1.347 549 I CB -0.512 37.294 38.000 -0.323 0.000 1.044 549 I HN 0.730 nan 8.210 nan 0.000 0.408 550 D N 1.778 122.155 120.400 -0.037 0.000 2.178 550 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 550 D C 2.005 178.337 176.300 0.053 0.000 0.980 550 D CA 1.528 55.509 54.000 -0.031 0.000 0.842 550 D CB -0.377 40.377 40.800 -0.076 0.000 0.948 550 D HN 0.356 nan 8.370 nan 0.000 0.472 551 A N 0.495 123.371 122.820 0.094 0.000 1.968 551 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 551 A C 2.315 179.965 177.584 0.109 0.000 1.169 551 A CA 2.124 54.225 52.037 0.106 0.000 0.638 551 A CB -0.813 18.269 19.000 0.137 0.000 0.812 551 A HN 0.456 nan 8.150 nan 0.000 0.446 552 T N -3.414 111.251 114.554 0.185 0.000 3.057 552 T HA 0.191 4.541 4.350 -0.000 0.000 0.254 552 T C 0.561 175.316 174.700 0.091 0.000 1.094 552 T CA 0.784 62.964 62.100 0.134 0.000 1.088 552 T CB 0.112 69.195 68.868 0.359 0.000 0.934 552 T HN 0.445 nan 8.240 nan 0.000 0.497 553 E N 1.333 121.644 120.200 0.185 0.000 3.352 553 E HA 0.276 4.626 4.350 -0.000 0.000 0.254 553 E C -2.441 174.288 176.600 0.214 0.000 1.229 553 E CA -1.954 54.479 56.400 0.054 0.000 0.949 553 E CB 1.372 31.191 29.700 0.197 0.000 1.373 553 E HN 0.063 nan 8.360 nan 0.000 0.392 554 P HA -0.145 nan 4.420 nan 0.000 0.216 554 P C -0.449 176.972 177.300 0.201 0.000 1.150 554 P CA 1.212 64.394 63.100 0.138 0.000 0.843 554 P CB 0.275 31.986 31.700 0.018 0.000 0.787 555 Q N -2.144 117.593 119.800 -0.105 0.000 2.397 555 Q HA 0.369 4.709 4.340 -0.000 0.000 0.275 555 Q C -0.401 174.980 176.000 -1.030 0.000 1.090 555 Q CA -0.813 54.691 55.803 -0.499 0.000 0.809 555 Q CB 1.463 30.009 28.738 -0.321 0.000 1.362 555 Q HN -0.147 nan 8.270 nan 0.000 0.431 556 R N 0.541 119.995 120.500 -1.744 0.000 2.480 556 R HA 0.253 4.593 4.340 -0.000 0.000 0.303 556 R C 0.581 176.383 176.300 -0.831 0.000 0.985 556 R CA 1.662 56.734 56.100 -1.712 0.000 1.051 556 R CB -0.458 28.990 30.300 -1.419 0.000 0.935 556 R HN 0.905 nan 8.270 nan 0.000 0.410 557 G N 2.818 111.192 108.800 -0.709 0.000 2.225 557 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.254 557 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.254 557 G C 0.054 174.690 174.900 -0.441 0.000 0.988 557 G CA 0.407 45.244 45.100 -0.438 0.000 0.625 557 G HN 0.607 nan 8.290 nan 0.000 0.527 558 Q N 0.341 119.808 119.800 -0.554 0.000 2.431 558 Q HA 0.628 4.968 4.340 -0.000 0.000 0.249 558 Q C -0.662 175.053 176.000 -0.474 0.000 1.025 558 Q CA -0.832 54.749 55.803 -0.371 0.000 0.835 558 Q CB 0.094 28.670 28.738 -0.270 0.000 1.207 558 Q HN 0.199 nan 8.270 nan 0.000 0.490 559 F N 2.261 122.105 119.950 -0.177 0.000 2.375 559 F HA 0.344 4.871 4.527 -0.000 0.000 0.333 559 F C 0.768 176.257 175.800 -0.519 0.000 1.104 559 F CA -0.376 57.405 58.000 -0.365 0.000 1.149 559 F CB 0.946 39.722 39.000 -0.372 0.000 1.190 559 F HN 0.453 nan 8.300 nan 0.000 0.533 560 N N 2.709 121.074 118.700 -0.558 0.000 2.480 560 N HA 0.233 4.973 4.740 -0.000 0.000 0.289 560 N C -1.036 174.121 175.510 -0.589 0.000 1.073 560 N CA -0.297 52.493 53.050 -0.433 0.000 0.885 560 N CB 0.749 39.127 38.487 -0.181 0.000 1.421 560 N HN 0.388 nan 8.380 nan 0.000 0.503 561 F N 1.053 120.970 119.950 -0.056 0.000 2.654 561 F HA 0.144 4.671 4.527 -0.000 0.000 0.303 561 F C 2.230 178.066 175.800 0.060 0.000 1.099 561 F CA -0.279 57.685 58.000 -0.061 0.000 1.270 561 F CB 0.085 38.783 39.000 -0.504 0.000 1.024 561 F HN 0.452 nan 8.300 nan 0.000 0.548 562 S N 0.707 116.500 115.700 0.155 0.000 2.353 562 S HA -0.273 4.197 4.470 -0.000 0.000 0.222 562 S C 2.374 177.077 174.600 0.173 0.000 1.035 562 S CA 1.269 59.559 58.200 0.149 0.000 1.025 562 S CB -0.849 62.404 63.200 0.088 0.000 0.902 562 S HN 0.269 nan 8.310 nan 0.000 0.440 563 A N 2.014 124.927 122.820 0.155 0.000 1.873 563 A HA 0.254 4.574 4.320 -0.000 0.000 0.215 563 A C 2.474 180.185 177.584 0.212 0.000 1.186 563 A CA 1.574 53.701 52.037 0.151 0.000 0.616 563 A CB -1.792 17.279 19.000 0.118 0.000 0.823 563 A HN 0.685 nan 8.150 nan 0.000 0.442 564 G N -0.279 108.702 108.800 0.301 0.000 2.422 564 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 564 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 564 G C 1.084 176.248 174.900 0.439 0.000 1.146 564 G CA 1.245 46.577 45.100 0.386 0.000 0.769 564 G HN 0.451 nan 8.290 nan 0.000 0.547 565 D N 0.242 120.924 120.400 0.469 0.000 2.178 565 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 565 D C 2.658 179.179 176.300 0.367 0.000 0.974 565 D CA 0.346 54.628 54.000 0.470 0.000 0.841 565 D CB -0.165 40.874 40.800 0.398 0.000 0.953 565 D HN 0.263 nan 8.370 nan 0.000 0.478 566 R N 0.293 120.956 120.500 0.272 0.000 2.096 566 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 566 R C 2.264 178.701 176.300 0.229 0.000 1.127 566 R CA 0.701 56.930 56.100 0.215 0.000 0.968 566 R CB -0.317 30.072 30.300 0.148 0.000 0.861 566 R HN 0.117 nan 8.270 nan 0.000 0.440 567 V N 0.106 120.150 119.914 0.216 0.000 2.323 567 V HA -0.253 3.867 4.120 -0.000 0.000 0.244 567 V C 1.961 178.205 176.094 0.250 0.000 1.041 567 V CA 1.622 64.036 62.300 0.190 0.000 1.025 567 V CB -0.662 31.232 31.823 0.119 0.000 0.656 567 V HN 0.264 nan 8.190 nan 0.000 0.451 568 Y N 2.121 122.512 120.300 0.152 0.000 2.097 568 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 568 Y C 2.547 178.531 175.900 0.140 0.000 1.152 568 Y CA 2.175 60.346 58.100 0.118 0.000 1.136 568 Y CB -0.440 38.115 38.460 0.158 0.000 0.975 568 Y HN 0.291 nan 8.280 nan 0.000 0.498 569 N N -0.444 118.365 118.700 0.182 0.000 2.104 569 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 569 N C 1.566 177.082 175.510 0.011 0.000 1.024 569 N CA 1.687 54.780 53.050 0.073 0.000 0.853 569 N CB -1.190 37.410 38.487 0.188 0.000 1.008 569 N HN 0.667 nan 8.380 nan 0.000 0.424 570 W N 1.899 123.171 121.300 -0.046 0.000 2.358 570 W HA -0.047 4.613 4.660 0.000 0.000 0.303 570 W C 2.368 178.828 176.519 -0.098 0.000 1.208 570 W CA 2.167 59.485 57.345 -0.045 0.000 1.274 570 W CB -0.369 29.088 29.460 -0.004 0.000 1.138 570 W HN 0.087 nan 8.180 nan 0.000 0.515 571 A N 0.281 123.129 122.820 0.047 0.000 1.845 571 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 571 A C 2.105 179.482 177.584 -0.346 0.000 1.195 571 A CA 3.184 55.134 52.037 -0.144 0.000 0.616 571 A CB -1.651 17.309 19.000 -0.067 0.000 0.832 571 A HN 0.558 nan 8.150 nan 0.000 0.443 572 V N -1.930 117.734 119.914 -0.416 0.000 2.407 572 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 572 V C 2.400 178.323 176.094 -0.285 0.000 1.055 572 V CA 2.506 64.586 62.300 -0.367 0.000 1.049 572 V CB -1.286 30.264 31.823 -0.455 0.000 0.662 572 V HN 0.566 nan 8.190 nan 0.000 0.455 573 Q N 1.497 121.119 119.800 -0.297 0.000 2.291 573 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 573 Q C 1.607 177.410 176.000 -0.330 0.000 0.976 573 Q CA 1.904 57.550 55.803 -0.261 0.000 0.875 573 Q CB -0.359 28.238 28.738 -0.235 0.000 0.927 573 Q HN 0.761 nan 8.270 nan 0.000 0.450 574 N N -0.797 117.619 118.700 -0.474 0.000 2.273 574 N HA 0.181 4.921 4.740 -0.000 0.000 0.231 574 N C -0.118 175.204 175.510 -0.313 0.000 1.134 574 N CA 0.664 53.428 53.050 -0.476 0.000 0.856 574 N CB 1.042 39.022 38.487 -0.846 0.000 1.068 574 N HN 0.369 nan 8.380 nan 0.000 0.510 575 G N 1.251 109.908 108.800 -0.238 0.000 2.198 575 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 575 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 575 G C -0.081 174.742 174.900 -0.127 0.000 1.025 575 G CA 0.502 45.509 45.100 -0.155 0.000 0.769 575 G HN 0.289 nan 8.290 nan 0.000 0.507 576 K N -0.031 120.273 120.400 -0.161 0.000 2.156 576 K HA 0.625 4.945 4.320 -0.000 0.000 0.254 576 K C 0.687 177.214 176.600 -0.123 0.000 0.950 576 K CA -0.600 55.625 56.287 -0.103 0.000 0.849 576 K CB 1.415 33.877 32.500 -0.064 0.000 1.100 576 K HN 0.359 nan 8.250 nan 0.000 0.434 577 Q N 0.372 120.106 119.800 -0.109 0.000 2.237 577 Q HA 0.502 4.841 4.340 -0.000 0.000 0.219 577 Q C -0.725 175.182 176.000 -0.156 0.000 0.999 577 Q CA -0.857 54.869 55.803 -0.127 0.000 0.959 577 Q CB 1.323 29.982 28.738 -0.132 0.000 1.173 577 Q HN 0.228 nan 8.270 nan 0.000 0.527 578 V N 0.876 120.696 119.914 -0.157 0.000 2.709 578 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 578 V C -0.777 175.153 176.094 -0.273 0.000 1.062 578 V CA -0.824 61.366 62.300 -0.183 0.000 0.901 578 V CB 1.984 33.746 31.823 -0.101 0.000 1.003 578 V HN 0.641 nan 8.190 nan 0.000 0.425 579 R N 2.253 122.581 120.500 -0.286 0.000 2.255 579 R HA 0.578 4.918 4.340 -0.000 0.000 0.326 579 R C 0.293 176.340 176.300 -0.422 0.000 0.986 579 R CA -0.463 55.448 56.100 -0.315 0.000 0.847 579 R CB 1.829 32.012 30.300 -0.195 0.000 1.111 579 R HN 0.910 nan 8.270 nan 0.000 0.452 580 G N 1.637 109.952 108.800 -0.809 0.000 2.370 580 G HA2 0.179 4.139 3.960 -0.000 0.000 0.272 580 G HA3 0.179 4.139 3.960 -0.000 0.000 0.272 580 G C -0.951 173.803 174.900 -0.242 0.000 1.208 580 G CA 0.008 44.371 45.100 -1.228 0.000 0.856 580 G HN 0.641 nan 8.290 nan 0.000 0.500 581 H N 0.154 119.201 119.070 -0.038 0.000 3.018 581 H HA 0.613 5.169 4.556 -0.000 0.000 0.334 581 H C -0.769 174.704 175.328 0.243 0.000 0.983 581 H CA -0.307 55.817 56.048 0.128 0.000 1.363 581 H CB 2.130 31.926 29.762 0.057 0.000 1.668 581 H HN 0.638 nan 8.280 nan 0.000 0.513 582 T N 4.577 119.115 114.554 -0.026 0.000 2.894 582 T HA 0.272 4.622 4.350 -0.000 0.000 0.309 582 T C 0.540 175.328 174.700 0.146 0.000 1.208 582 T CA -0.675 61.379 62.100 -0.078 0.000 1.016 582 T CB 1.113 69.578 68.868 -0.671 0.000 1.192 582 T HN 0.575 nan 8.240 nan 0.000 0.491 583 L N 1.991 123.297 121.223 0.139 0.000 2.162 583 L HA 0.510 4.850 4.340 -0.000 0.000 0.205 583 L C 1.203 178.201 176.870 0.213 0.000 1.086 583 L CA 0.388 55.319 54.840 0.152 0.000 0.778 583 L CB -0.101 41.916 42.059 -0.070 0.000 0.928 583 L HN 0.695 nan 8.230 nan 0.000 0.446 584 A N -1.095 121.840 122.820 0.192 0.000 2.375 584 A HA 0.556 4.876 4.320 -0.000 0.000 0.295 584 A C -2.031 175.809 177.584 0.426 0.000 1.066 584 A CA -0.213 52.001 52.037 0.295 0.000 0.722 584 A CB 1.059 20.291 19.000 0.387 0.000 1.206 584 A HN 0.161 nan 8.150 nan 0.000 0.435 585 W N 3.886 125.247 121.300 0.101 0.000 3.419 585 W HA 0.367 5.027 4.660 -0.000 0.000 0.298 585 W C 0.520 177.029 176.519 -0.015 0.000 1.260 585 W CA -0.804 56.596 57.345 0.091 0.000 1.199 585 W CB 0.796 30.238 29.460 -0.030 0.000 1.349 585 W HN 0.826 nan 8.180 nan 0.000 0.557 586 H N 1.032 120.117 119.070 0.025 0.000 2.502 586 H HA 0.135 4.691 4.556 -0.000 0.000 0.283 586 H C 0.242 175.258 175.328 -0.520 0.000 1.015 586 H CA 1.120 57.025 56.048 -0.238 0.000 1.298 586 H CB -0.014 29.677 29.762 -0.118 0.000 1.411 586 H HN 0.094 nan 8.280 nan 0.000 0.556 587 S N 0.062 114.674 115.700 -1.812 0.000 2.654 587 S HA 0.173 4.643 4.470 -0.000 0.000 0.283 587 S C 0.045 173.867 174.600 -1.296 0.000 1.180 587 S CA -0.410 56.771 58.200 -1.697 0.000 1.021 587 S CB 0.826 62.739 63.200 -2.144 0.000 1.018 587 S HN 0.550 nan 8.310 nan 0.000 0.532 588 Q N 0.542 119.868 119.800 -0.790 0.000 2.457 588 Q HA -0.205 4.135 4.340 -0.000 0.000 0.283 588 Q C -0.590 175.199 176.000 -0.352 0.000 1.234 588 Q CA 0.700 56.230 55.803 -0.454 0.000 0.877 588 Q CB -1.294 27.244 28.738 -0.332 0.000 1.250 588 Q HN 0.679 nan 8.270 nan 0.000 0.481 589 Q N 1.085 120.645 119.800 -0.399 0.000 2.293 589 Q HA 0.330 4.670 4.340 -0.000 0.000 0.251 589 Q C -1.949 173.812 176.000 -0.399 0.000 0.930 589 Q CA -1.727 53.832 55.803 -0.407 0.000 0.893 589 Q CB 0.793 29.273 28.738 -0.430 0.000 1.215 589 Q HN 0.120 nan 8.270 nan 0.000 0.425 590 P HA -0.055 nan 4.420 nan 0.000 0.272 590 P C 0.368 177.384 177.300 -0.472 0.000 1.230 590 P CA 0.071 62.916 63.100 -0.425 0.000 0.788 590 P CB 0.633 32.065 31.700 -0.447 0.000 0.949 591 G N 1.736 110.395 108.800 -0.235 0.000 2.469 591 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 591 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 591 G C 1.393 176.215 174.900 -0.130 0.000 1.150 591 G CA 0.535 45.545 45.100 -0.150 0.000 0.763 591 G HN 0.766 nan 8.290 nan 0.000 0.561 592 W N -0.117 121.133 121.300 -0.083 0.000 2.392 592 W HA 0.046 4.706 4.660 -0.000 0.000 0.279 592 W C 2.042 178.511 176.519 -0.083 0.000 1.225 592 W CA 1.012 58.309 57.345 -0.079 0.000 1.233 592 W CB -0.730 28.680 29.460 -0.083 0.000 1.122 592 W HN 0.293 nan 8.180 nan 0.000 0.561 593 M N 1.295 120.365 119.600 -0.882 0.000 2.334 593 M HA -0.106 4.374 4.480 -0.000 0.000 0.266 593 M C 2.412 178.476 176.300 -0.392 0.000 1.082 593 M CA 1.434 56.251 55.300 -0.806 0.000 1.141 593 M CB -0.231 31.616 32.600 -1.255 0.000 1.380 593 M HN -0.044 nan 8.290 nan 0.000 0.440 594 Q N -0.461 119.126 119.800 -0.354 0.000 2.226 594 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 594 Q C 1.688 177.602 176.000 -0.144 0.000 0.975 594 Q CA 1.675 57.339 55.803 -0.231 0.000 0.866 594 Q CB -0.050 28.564 28.738 -0.207 0.000 0.915 594 Q HN 0.477 nan 8.270 nan 0.000 0.440 595 S N 0.250 115.888 115.700 -0.102 0.000 2.561 595 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 595 S C 0.652 175.235 174.600 -0.029 0.000 0.977 595 S CA 0.224 58.398 58.200 -0.044 0.000 0.926 595 S CB 0.089 63.290 63.200 0.001 0.000 0.769 595 S HN 0.204 nan 8.310 nan 0.000 0.533 596 L N 1.843 123.040 121.223 -0.044 0.000 2.379 596 L HA 0.549 4.889 4.340 -0.000 0.000 0.269 596 L C 0.375 177.214 176.870 -0.052 0.000 1.084 596 L CA -0.469 54.358 54.840 -0.022 0.000 0.802 596 L CB 1.294 43.359 42.059 0.009 0.000 1.175 596 L HN 0.164 nan 8.230 nan 0.000 0.448 597 S N -0.123 115.557 115.700 -0.034 0.000 2.643 597 S HA 0.825 5.295 4.470 -0.000 0.000 0.270 597 S C -0.090 174.494 174.600 -0.026 0.000 1.166 597 S CA -0.238 57.934 58.200 -0.047 0.000 0.815 597 S CB 1.347 64.519 63.200 -0.046 0.000 1.139 597 S HN 1.209 nan 8.310 nan 0.000 0.472 598 G N 1.910 110.692 108.800 -0.030 0.000 2.581 598 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.291 598 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.291 598 G C 1.102 176.005 174.900 0.005 0.000 1.277 598 G CA 1.604 46.698 45.100 -0.011 0.000 0.959 598 G HN 2.220 nan 8.290 nan 0.000 0.554 599 S N -1.552 114.158 115.700 0.016 0.000 2.383 599 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 599 S C 2.222 176.843 174.600 0.035 0.000 1.030 599 S CA 2.753 60.970 58.200 0.028 0.000 1.002 599 S CB -0.931 62.285 63.200 0.027 0.000 0.829 599 S HN 1.198 nan 8.310 nan 0.000 0.467 600 T N 2.636 117.208 114.554 0.030 0.000 2.746 600 T HA 0.092 4.442 4.350 -0.000 0.000 0.267 600 T C 1.698 176.433 174.700 0.059 0.000 1.039 600 T CA 1.177 63.304 62.100 0.043 0.000 1.142 600 T CB -0.474 68.417 68.868 0.039 0.000 0.866 600 T HN 0.307 nan 8.240 nan 0.000 0.444 601 L N 0.685 121.930 121.223 0.035 0.000 2.056 601 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 601 L C 2.811 179.707 176.870 0.044 0.000 1.078 601 L CA 1.402 56.256 54.840 0.024 0.000 0.749 601 L CB -0.238 41.798 42.059 -0.039 0.000 0.901 601 L HN 0.125 nan 8.230 nan 0.000 0.433 602 R N 0.263 120.790 120.500 0.045 0.000 2.083 602 R HA -0.273 4.067 4.340 -0.000 0.000 0.237 602 R C 2.195 178.553 176.300 0.097 0.000 1.137 602 R CA 2.147 58.294 56.100 0.077 0.000 0.951 602 R CB -0.644 29.702 30.300 0.076 0.000 0.851 602 R HN 0.324 nan 8.270 nan 0.000 0.434 603 Q N -0.406 119.446 119.800 0.087 0.000 2.167 603 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 603 Q C 1.821 177.899 176.000 0.129 0.000 0.970 603 Q CA 1.864 57.724 55.803 0.095 0.000 0.855 603 Q CB -0.359 28.424 28.738 0.074 0.000 0.911 603 Q HN 0.421 nan 8.270 nan 0.000 0.438 604 A N 0.322 123.232 122.820 0.151 0.000 1.933 604 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 604 A C 2.119 179.853 177.584 0.250 0.000 1.175 604 A CA 1.603 53.779 52.037 0.233 0.000 0.628 604 A CB -0.677 18.507 19.000 0.306 0.000 0.814 604 A HN 0.586 nan 8.150 nan 0.000 0.444 605 M N -0.419 119.287 119.600 0.178 0.000 2.117 605 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 605 M C 1.935 178.360 176.300 0.208 0.000 1.065 605 M CA 1.883 57.295 55.300 0.185 0.000 1.114 605 M CB -0.329 32.368 32.600 0.161 0.000 1.361 605 M HN 0.426 nan 8.290 nan 0.000 0.408 606 I N 0.541 121.209 120.570 0.164 0.000 2.179 606 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 606 I C 1.817 178.016 176.117 0.137 0.000 1.088 606 I CA 1.353 62.729 61.300 0.125 0.000 1.357 606 I CB -0.750 37.308 38.000 0.097 0.000 1.051 606 I HN 0.299 nan 8.210 nan 0.000 0.409 607 D N -0.323 120.186 120.400 0.182 0.000 2.144 607 D HA -0.242 4.398 4.640 -0.000 0.000 0.199 607 D C 1.994 178.495 176.300 0.336 0.000 0.984 607 D CA 1.474 55.607 54.000 0.221 0.000 0.834 607 D CB -0.407 40.532 40.800 0.233 0.000 0.955 607 D HN 0.433 nan 8.370 nan 0.000 0.465 608 H N 0.376 119.630 119.070 0.308 0.000 2.326 608 H HA 0.016 4.572 4.556 -0.000 0.000 0.301 608 H C 2.157 177.604 175.328 0.199 0.000 1.081 608 H CA 1.202 57.490 56.048 0.400 0.000 1.334 608 H CB -0.285 29.663 29.762 0.310 0.000 1.385 608 H HN 0.055 nan 8.280 nan 0.000 0.504 609 I N 0.241 120.864 120.570 0.088 0.000 2.163 609 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 609 I C 2.029 178.029 176.117 -0.195 0.000 1.085 609 I CA 1.290 62.526 61.300 -0.106 0.000 1.347 609 I CB -0.313 37.649 38.000 -0.064 0.000 1.044 609 I HN 0.373 nan 8.210 nan 0.000 0.408 610 N N 1.088 119.723 118.700 -0.110 0.000 2.120 610 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 610 N C 1.894 177.248 175.510 -0.259 0.000 1.024 610 N CA 1.678 54.642 53.050 -0.142 0.000 0.852 610 N CB -0.771 37.677 38.487 -0.065 0.000 1.003 610 N HN 0.439 nan 8.380 nan 0.000 0.424 611 G N 0.884 109.442 108.800 -0.404 0.000 2.421 611 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 611 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 611 G C 1.742 176.247 174.900 -0.657 0.000 1.171 611 G CA 0.864 45.384 45.100 -0.966 0.000 0.775 611 G HN 0.198 nan 8.290 nan 0.000 0.543 612 V N 0.966 120.621 119.914 -0.431 0.000 2.323 612 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 612 V C 2.890 178.929 176.094 -0.093 0.000 1.041 612 V CA 1.939 64.201 62.300 -0.062 0.000 1.025 612 V CB -0.419 31.370 31.823 -0.056 0.000 0.656 612 V HN 0.337 nan 8.190 nan 0.000 0.451 613 M N 0.335 119.764 119.600 -0.285 0.000 2.229 613 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 613 M C 2.236 178.475 176.300 -0.102 0.000 1.063 613 M CA 1.865 57.034 55.300 -0.219 0.000 1.114 613 M CB -0.776 31.594 32.600 -0.383 0.000 1.387 613 M HN 0.504 nan 8.290 nan 0.000 0.420 614 G N -0.996 107.697 108.800 -0.178 0.000 2.422 614 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 614 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 614 G C 1.179 175.946 174.900 -0.221 0.000 1.146 614 G CA 1.220 46.218 45.100 -0.169 0.000 0.769 614 G HN 0.482 nan 8.290 nan 0.000 0.547 615 H N -0.615 118.174 119.070 -0.469 0.000 2.389 615 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 615 H C 1.246 176.132 175.328 -0.736 0.000 1.081 615 H CA 1.180 56.757 56.048 -0.785 0.000 1.345 615 H CB -0.085 28.660 29.762 -1.694 0.000 1.393 615 H HN 0.397 nan 8.280 nan 0.000 0.520 616 Y N 0.567 120.672 120.300 -0.324 0.000 2.571 616 Y HA 0.211 4.761 4.550 -0.000 0.000 0.275 616 Y C 0.612 176.441 175.900 -0.119 0.000 1.179 616 Y CA -0.419 57.519 58.100 -0.270 0.000 1.242 616 Y CB -0.148 38.304 38.460 -0.013 0.000 1.126 616 Y HN 0.008 nan 8.280 nan 0.000 0.524 617 K N 0.796 121.185 120.400 -0.020 0.000 2.473 617 K HA 0.107 4.427 4.320 -0.000 0.000 0.277 617 K C 1.243 177.852 176.600 0.015 0.000 1.052 617 K CA 1.298 57.594 56.287 0.014 0.000 1.114 617 K CB -0.292 32.183 32.500 -0.042 0.000 0.869 617 K HN 0.629 nan 8.250 nan 0.000 0.481 618 G N 3.719 112.556 108.800 0.062 0.000 2.179 618 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 618 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 618 G C 0.447 175.381 174.900 0.056 0.000 0.977 618 G CA 0.691 45.821 45.100 0.049 0.000 0.641 618 G HN 0.726 nan 8.290 nan 0.000 0.533 619 K N -0.626 119.814 120.400 0.067 0.000 2.374 619 K HA 0.377 4.697 4.320 -0.000 0.000 0.202 619 K C 0.341 176.995 176.600 0.090 0.000 1.040 619 K CA -0.126 56.220 56.287 0.098 0.000 1.085 619 K CB 0.978 33.496 32.500 0.031 0.000 0.873 619 K HN 0.313 nan 8.250 nan 0.000 0.539 620 I N 0.992 121.574 120.570 0.020 0.000 2.362 620 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 620 I C 1.107 177.169 176.117 -0.092 0.000 0.994 620 I CA -0.350 60.866 61.300 -0.140 0.000 1.158 620 I CB 1.130 38.878 38.000 -0.420 0.000 1.315 620 I HN -0.028 nan 8.210 nan 0.000 0.451 621 A N 6.208 128.957 122.820 -0.119 0.000 1.873 621 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 621 A C 0.801 178.362 177.584 -0.037 0.000 1.186 621 A CA 1.186 53.186 52.037 -0.063 0.000 0.616 621 A CB 0.047 18.991 19.000 -0.093 0.000 0.823 621 A HN 0.777 nan 8.150 nan 0.000 0.442 622 Q N -3.186 116.546 119.800 -0.114 0.000 2.359 622 Q HA 0.482 4.822 4.340 -0.000 0.000 0.274 622 Q C -2.028 173.900 176.000 -0.120 0.000 1.074 622 Q CA -0.338 55.448 55.803 -0.029 0.000 0.810 622 Q CB 2.122 30.862 28.738 0.003 0.000 1.342 622 Q HN 0.545 nan 8.270 nan 0.000 0.427 623 W N 1.365 122.690 121.300 0.042 0.000 2.600 623 W HA 0.315 4.975 4.660 -0.000 0.000 0.325 623 W C -0.724 175.810 176.519 0.025 0.000 1.034 623 W CA -0.469 56.891 57.345 0.025 0.000 1.226 623 W CB 1.671 31.136 29.460 0.009 0.000 1.379 623 W HN 0.447 nan 8.180 nan 0.000 0.466 624 D N 3.525 124.127 120.400 0.337 0.000 2.435 624 D HA 0.058 4.698 4.640 -0.000 0.000 0.230 624 D C 1.159 177.537 176.300 0.130 0.000 1.215 624 D CA 0.235 54.340 54.000 0.176 0.000 0.947 624 D CB 1.268 42.156 40.800 0.146 0.000 1.048 624 D HN 0.118 nan 8.370 nan 0.000 0.512 625 V N 1.890 121.811 119.914 0.012 0.000 2.295 625 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 625 V C 1.104 177.090 176.094 -0.180 0.000 1.049 625 V CA 1.067 63.229 62.300 -0.230 0.000 1.024 625 V CB 0.067 31.425 31.823 -0.774 0.000 0.648 625 V HN 0.264 nan 8.190 nan 0.000 0.447 626 V N 0.496 120.340 119.914 -0.116 0.000 2.604 626 V HA 0.501 4.621 4.120 -0.000 0.000 0.305 626 V C -0.779 175.273 176.094 -0.069 0.000 1.043 626 V CA -0.723 61.613 62.300 0.061 0.000 0.888 626 V CB 1.842 33.806 31.823 0.235 0.000 0.995 626 V HN 0.450 nan 8.190 nan 0.000 0.429 627 N N 2.015 120.686 118.700 -0.049 0.000 2.314 627 N HA 0.384 5.124 4.740 -0.000 0.000 0.294 627 N C -0.401 175.120 175.510 0.017 0.000 1.029 627 N CA -0.510 52.351 53.050 -0.315 0.000 0.845 627 N CB 1.428 39.418 38.487 -0.827 0.000 1.321 627 N HN 0.741 nan 8.380 nan 0.000 0.481 628 E N 1.131 121.337 120.200 0.010 0.000 2.210 628 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 628 E C -0.196 176.709 176.600 0.509 0.000 1.339 628 E CA 0.579 57.180 56.400 0.334 0.000 0.699 628 E CB -1.292 28.778 29.700 0.616 0.000 1.126 628 E HN 0.580 nan 8.360 nan 0.000 0.355 629 A N 0.105 123.295 122.820 0.615 0.000 2.218 629 A HA 0.226 4.546 4.320 -0.000 0.000 0.209 629 A C 0.247 177.980 177.584 0.248 0.000 1.168 629 A CA 0.260 52.634 52.037 0.563 0.000 0.804 629 A CB 0.295 19.644 19.000 0.582 0.000 0.834 629 A HN 0.235 nan 8.150 nan 0.000 0.482 630 F N -0.499 119.569 119.950 0.197 0.000 2.425 630 F HA 0.513 5.040 4.527 -0.000 0.000 0.331 630 F C 0.975 176.779 175.800 0.006 0.000 1.085 630 F CA -0.741 57.304 58.000 0.076 0.000 1.028 630 F CB 1.546 40.571 39.000 0.041 0.000 1.177 630 F HN -0.047 nan 8.300 nan 0.000 0.487 631 S N 0.449 116.214 115.700 0.107 0.000 2.603 631 S HA 0.139 4.609 4.470 -0.000 0.000 0.268 631 S C 0.435 175.055 174.600 0.034 0.000 1.317 631 S CA -0.561 57.665 58.200 0.043 0.000 1.012 631 S CB 0.467 63.673 63.200 0.010 0.000 0.926 631 S HN 0.613 nan 8.310 nan 0.000 0.539 632 D N 0.972 121.378 120.400 0.010 0.000 2.369 632 D HA 0.049 4.689 4.640 -0.000 0.000 0.211 632 D C 0.739 177.022 176.300 -0.030 0.000 1.077 632 D CA 0.176 54.163 54.000 -0.022 0.000 0.842 632 D CB 0.044 40.856 40.800 0.020 0.000 0.947 632 D HN 0.751 nan 8.370 nan 0.000 0.509 633 D N 0.137 120.531 120.400 -0.010 0.000 2.378 633 D HA -0.031 4.609 4.640 -0.000 0.000 0.227 633 D C 1.616 177.906 176.300 -0.015 0.000 1.012 633 D CA 0.882 54.874 54.000 -0.013 0.000 0.905 633 D CB -0.253 40.543 40.800 -0.006 0.000 0.895 633 D HN 0.192 nan 8.370 nan 0.000 0.532 634 G N -0.165 108.624 108.800 -0.018 0.000 2.176 634 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.253 634 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.253 634 G C 1.187 176.094 174.900 0.011 0.000 0.979 634 G CA 0.913 46.006 45.100 -0.011 0.000 0.641 634 G HN 0.722 nan 8.290 nan 0.000 0.530 635 S N -0.300 115.411 115.700 0.019 0.000 2.470 635 S HA 0.379 4.848 4.470 -0.000 0.000 0.225 635 S C 2.359 176.989 174.600 0.050 0.000 1.006 635 S CA 1.536 59.752 58.200 0.027 0.000 0.934 635 S CB 0.019 63.230 63.200 0.019 0.000 0.778 635 S HN 2.391 nan 8.310 nan 0.000 0.517 636 G N 0.450 109.298 108.800 0.079 0.000 2.143 636 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.249 636 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.249 636 G C 0.377 175.416 174.900 0.231 0.000 0.981 636 G CA 0.065 45.249 45.100 0.140 0.000 0.665 636 G HN 1.075 nan 8.290 nan 0.000 0.528 637 G N -1.047 107.830 108.800 0.129 0.000 2.642 637 G HA2 0.640 4.600 3.960 -0.000 0.000 0.291 637 G HA3 0.640 4.600 3.960 -0.000 0.000 0.291 637 G C 0.109 174.911 174.900 -0.163 0.000 1.345 637 G CA -0.908 44.205 45.100 0.021 0.000 1.043 637 G HN 0.312 nan 8.290 nan 0.000 0.528 638 R N 0.093 120.406 120.500 -0.312 0.000 2.543 638 R HA 0.160 4.500 4.340 -0.000 0.000 0.277 638 R C 0.623 176.827 176.300 -0.160 0.000 1.074 638 R CA -0.445 55.419 56.100 -0.393 0.000 1.076 638 R CB 0.754 30.906 30.300 -0.247 0.000 0.993 638 R HN 0.625 nan 8.270 nan 0.000 0.459 639 R N 1.504 121.936 120.500 -0.113 0.000 2.491 639 R HA -0.051 4.289 4.340 -0.000 0.000 0.283 639 R C -0.618 175.633 176.300 -0.081 0.000 1.072 639 R CA -0.161 55.892 56.100 -0.078 0.000 1.048 639 R CB 0.418 30.664 30.300 -0.091 0.000 0.983 639 R HN 0.448 nan 8.270 nan 0.000 0.450 640 D N 2.609 122.955 120.400 -0.089 0.000 2.352 640 D HA 0.108 4.748 4.640 -0.000 0.000 0.245 640 D C -1.049 175.181 176.300 -0.116 0.000 1.224 640 D CA 0.130 54.078 54.000 -0.087 0.000 0.879 640 D CB 0.654 41.414 40.800 -0.066 0.000 1.057 640 D HN 0.556 nan 8.370 nan 0.000 0.491 641 S N 2.536 118.151 115.700 -0.142 0.000 2.685 641 S HA 0.321 4.791 4.470 -0.000 0.000 0.282 641 S C 1.054 175.532 174.600 -0.203 0.000 1.159 641 S CA -0.845 57.258 58.200 -0.162 0.000 0.833 641 S CB 1.037 64.137 63.200 -0.166 0.000 1.151 641 S HN 0.373 nan 8.310 nan 0.000 0.485 642 N N 1.077 119.657 118.700 -0.199 0.000 2.223 642 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 642 N C 1.516 176.844 175.510 -0.303 0.000 1.016 642 N CA 1.398 54.325 53.050 -0.205 0.000 0.863 642 N CB -1.059 37.324 38.487 -0.173 0.000 0.983 642 N HN 0.644 nan 8.380 nan 0.000 0.429 643 L N -0.207 120.730 121.223 -0.477 0.000 2.017 643 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 643 L C 2.808 179.046 176.870 -1.053 0.000 1.073 643 L CA 1.478 55.813 54.840 -0.841 0.000 0.745 643 L CB -0.566 40.671 42.059 -1.370 0.000 0.894 643 L HN 0.217 nan 8.230 nan 0.000 0.432 644 Q N 0.559 119.837 119.800 -0.871 0.000 2.170 644 Q HA -0.172 4.168 4.340 -0.000 0.000 0.203 644 Q C 2.108 178.007 176.000 -0.169 0.000 0.976 644 Q CA 1.535 57.095 55.803 -0.403 0.000 0.858 644 Q CB -0.086 28.602 28.738 -0.083 0.000 0.907 644 Q HN 0.282 nan 8.270 nan 0.000 0.433 645 R N -0.389 120.000 120.500 -0.184 0.000 2.316 645 R HA -0.027 4.313 4.340 -0.000 0.000 0.202 645 R C 1.835 178.094 176.300 -0.069 0.000 1.029 645 R CA 1.291 57.333 56.100 -0.097 0.000 1.018 645 R CB -0.199 30.044 30.300 -0.095 0.000 0.888 645 R HN 0.491 nan 8.270 nan 0.000 0.471 646 T N -2.759 111.738 114.554 -0.094 0.000 3.067 646 T HA 0.173 4.522 4.350 -0.000 0.000 0.261 646 T C 0.854 175.580 174.700 0.044 0.000 1.110 646 T CA 0.524 62.608 62.100 -0.027 0.000 1.113 646 T CB 0.604 69.455 68.868 -0.029 0.000 0.917 646 T HN 0.306 nan 8.240 nan 0.000 0.499 647 G N 0.709 109.557 108.800 0.079 0.000 2.306 647 G HA2 0.060 4.020 3.960 -0.000 0.000 0.340 647 G HA3 0.060 4.020 3.960 -0.000 0.000 0.340 647 G C -0.149 174.904 174.900 0.256 0.000 1.630 647 G CA -0.301 44.879 45.100 0.133 0.000 0.937 647 G HN 0.075 nan 8.290 nan 0.000 0.693 648 N N 0.384 119.205 118.700 0.201 0.000 2.348 648 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 648 N C 1.787 177.422 175.510 0.208 0.000 1.019 648 N CA 2.033 55.216 53.050 0.221 0.000 0.880 648 N CB 0.173 38.728 38.487 0.115 0.000 0.965 648 N HN 0.642 nan 8.380 nan 0.000 0.437 649 D N -0.435 120.079 120.400 0.190 0.000 2.336 649 D HA -0.124 4.516 4.640 -0.000 0.000 0.229 649 D C 1.740 178.143 176.300 0.171 0.000 1.061 649 D CA -0.046 54.037 54.000 0.138 0.000 0.875 649 D CB -1.027 39.834 40.800 0.102 0.000 0.904 649 D HN 0.580 nan 8.370 nan 0.000 0.525 650 W N 1.421 122.779 121.300 0.096 0.000 2.342 650 W HA -0.115 4.545 4.660 -0.000 0.000 0.297 650 W C 1.463 178.075 176.519 0.156 0.000 1.213 650 W CA 0.193 57.599 57.345 0.102 0.000 1.251 650 W CB -1.035 28.477 29.460 0.087 0.000 1.136 650 W HN -0.069 nan 8.180 nan 0.000 0.526 651 I N 1.317 121.535 120.570 -0.586 0.000 2.202 651 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 651 I C 2.795 178.960 176.117 0.081 0.000 1.091 651 I CA 2.183 63.226 61.300 -0.429 0.000 1.368 651 I CB -0.769 37.009 38.000 -0.369 0.000 1.058 651 I HN 0.023 nan 8.210 nan 0.000 0.410 652 E N 1.134 121.331 120.200 -0.006 0.000 2.058 652 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 652 E C 2.317 178.875 176.600 -0.069 0.000 0.997 652 E CA 1.641 57.887 56.400 -0.257 0.000 0.801 652 E CB 0.125 29.651 29.700 -0.290 0.000 0.746 652 E HN 0.258 nan 8.360 nan 0.000 0.450 653 V N 1.213 121.136 119.914 0.015 0.000 2.407 653 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 653 V C 2.460 178.588 176.094 0.057 0.000 1.055 653 V CA 1.769 64.097 62.300 0.048 0.000 1.049 653 V CB -0.774 31.108 31.823 0.098 0.000 0.662 653 V HN 0.449 nan 8.190 nan 0.000 0.455 654 A N -0.539 122.324 122.820 0.072 0.000 1.902 654 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 654 A C 2.039 179.560 177.584 -0.105 0.000 1.181 654 A CA 1.851 53.886 52.037 -0.002 0.000 0.623 654 A CB -0.700 18.288 19.000 -0.020 0.000 0.818 654 A HN 0.468 nan 8.150 nan 0.000 0.443 655 F N -0.226 119.704 119.950 -0.034 0.000 2.146 655 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 655 F C 2.597 178.362 175.800 -0.059 0.000 1.096 655 F CA 1.622 59.597 58.000 -0.041 0.000 1.275 655 F CB -0.227 38.724 39.000 -0.082 0.000 1.008 655 F HN 0.095 nan 8.300 nan 0.000 0.480 656 R N -0.621 119.929 120.500 0.083 0.000 2.096 656 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 656 R C 2.085 178.394 176.300 0.015 0.000 1.127 656 R CA 1.839 57.955 56.100 0.027 0.000 0.968 656 R CB -0.914 29.382 30.300 -0.007 0.000 0.861 656 R HN 0.212 nan 8.270 nan 0.000 0.440 657 T N 0.889 115.445 114.554 0.004 0.000 2.708 657 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 657 T C 1.959 176.633 174.700 -0.044 0.000 1.037 657 T CA 1.418 63.509 62.100 -0.014 0.000 1.146 657 T CB -0.237 68.626 68.868 -0.008 0.000 0.865 657 T HN 0.370 nan 8.240 nan 0.000 0.435 658 A N 1.897 124.673 122.820 -0.073 0.000 1.877 658 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 658 A C 2.244 179.805 177.584 -0.038 0.000 1.186 658 A CA 2.081 54.051 52.037 -0.111 0.000 0.620 658 A CB -0.590 18.306 19.000 -0.173 0.000 0.822 658 A HN 0.344 nan 8.150 nan 0.000 0.443 659 R N 0.305 120.816 120.500 0.019 0.000 2.103 659 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 659 R C 2.069 178.381 176.300 0.019 0.000 1.142 659 R CA 2.206 58.333 56.100 0.044 0.000 0.960 659 R CB -0.875 29.461 30.300 0.059 0.000 0.858 659 R HN 0.402 nan 8.270 nan 0.000 0.439 660 A N -0.099 122.723 122.820 0.003 0.000 1.929 660 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 660 A C 2.346 179.920 177.584 -0.016 0.000 1.176 660 A CA 1.451 53.486 52.037 -0.003 0.000 0.628 660 A CB -0.873 18.123 19.000 -0.006 0.000 0.816 660 A HN 0.495 nan 8.150 nan 0.000 0.444 661 A N -1.202 121.596 122.820 -0.036 0.000 1.930 661 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 661 A C 0.936 178.497 177.584 -0.039 0.000 1.175 661 A CA 1.722 53.724 52.037 -0.058 0.000 0.627 661 A CB -0.053 18.882 19.000 -0.108 0.000 0.815 661 A HN 0.392 nan 8.150 nan 0.000 0.443 662 D N -2.335 118.057 120.400 -0.013 0.000 2.411 662 D HA 0.201 4.841 4.640 -0.000 0.000 0.239 662 D C -2.427 173.908 176.300 0.057 0.000 1.307 662 D CA -1.287 52.731 54.000 0.031 0.000 0.930 662 D CB 1.156 42.001 40.800 0.075 0.000 1.395 662 D HN 0.025 nan 8.370 nan 0.000 0.536 663 P HA 0.001 nan 4.420 nan 0.000 0.234 663 P C 0.916 178.256 177.300 0.067 0.000 1.167 663 P CA 0.308 63.440 63.100 0.054 0.000 0.763 663 P CB 0.396 32.118 31.700 0.037 0.000 0.835 664 A N -0.274 122.590 122.820 0.073 0.000 2.132 664 A HA 0.400 4.720 4.320 -0.000 0.000 0.213 664 A C 1.429 179.072 177.584 0.099 0.000 1.154 664 A CA 0.361 52.443 52.037 0.075 0.000 0.753 664 A CB -0.568 18.469 19.000 0.063 0.000 0.826 664 A HN 0.287 nan 8.150 nan 0.000 0.469 665 A N 0.362 123.266 122.820 0.138 0.000 2.327 665 A HA 0.520 4.840 4.320 -0.000 0.000 0.283 665 A C 0.049 177.739 177.584 0.177 0.000 1.127 665 A CA -0.477 51.670 52.037 0.183 0.000 0.810 665 A CB 0.231 19.436 19.000 0.343 0.000 1.066 665 A HN 0.350 nan 8.150 nan 0.000 0.492 666 K N 1.618 122.115 120.400 0.162 0.000 2.297 666 K HA 0.373 4.693 4.320 -0.000 0.000 0.286 666 K C -1.016 175.722 176.600 0.229 0.000 1.053 666 K CA 0.112 56.500 56.287 0.168 0.000 0.940 666 K CB 0.662 33.245 32.500 0.139 0.000 1.019 666 K HN 0.582 nan 8.250 nan 0.000 0.475 667 L N 4.142 125.525 121.223 0.267 0.000 2.264 667 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 667 L C -0.384 176.763 176.870 0.462 0.000 1.044 667 L CA -0.886 54.177 54.840 0.372 0.000 0.807 667 L CB 0.915 43.243 42.059 0.449 0.000 1.192 667 L HN 0.643 nan 8.230 nan 0.000 0.425 668 c N 2.087 120.937 118.600 0.417 0.000 2.435 668 c HA 0.456 5.026 4.570 -0.000 0.000 0.333 668 c C -0.212 174.167 174.090 0.482 0.000 1.202 668 c CA -0.910 55.641 56.329 0.369 0.000 1.830 668 c CB 1.422 44.047 42.510 0.192 0.000 2.326 668 c HN 0.628 nan 8.230 nan 0.000 0.507 669 Y N 2.609 123.099 120.300 0.317 0.000 2.331 669 Y HA 0.528 5.078 4.550 -0.000 0.000 0.338 669 Y C -0.220 175.692 175.900 0.020 0.000 0.992 669 Y CA -0.240 58.029 58.100 0.282 0.000 1.121 669 Y CB 0.483 39.037 38.460 0.157 0.000 1.184 669 Y HN 0.785 nan 8.280 nan 0.000 0.469 670 N N 4.236 122.470 118.700 -0.776 0.000 2.314 670 N HA 0.438 5.178 4.740 -0.000 0.000 0.304 670 N C -1.960 173.127 175.510 -0.705 0.000 1.073 670 N CA -0.302 52.398 53.050 -0.585 0.000 0.822 670 N CB 1.302 39.602 38.487 -0.311 0.000 1.280 670 N HN 0.781 nan 8.380 nan 0.000 0.489 671 D N 0.092 120.235 120.400 -0.428 0.000 2.671 671 D HA 0.240 4.880 4.640 -0.000 0.000 0.273 671 D C -1.460 174.799 176.300 -0.067 0.000 1.264 671 D CA -0.274 53.597 54.000 -0.215 0.000 0.788 671 D CB 0.902 41.617 40.800 -0.143 0.000 1.324 671 D HN 0.418 nan 8.370 nan 0.000 0.424 672 Y N -0.516 119.778 120.300 -0.010 0.000 2.621 672 Y HA 0.522 5.072 4.550 -0.000 0.000 0.334 672 Y C 0.625 176.589 175.900 0.107 0.000 1.074 672 Y CA -0.922 57.201 58.100 0.038 0.000 1.149 672 Y CB 0.555 39.071 38.460 0.093 0.000 1.302 672 Y HN 0.574 nan 8.280 nan 0.000 0.501 673 N N 0.697 119.552 118.700 0.259 0.000 2.735 673 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 673 N C -0.244 175.508 175.510 0.404 0.000 1.083 673 N CA 0.943 54.158 53.050 0.276 0.000 0.703 673 N CB -1.054 37.412 38.487 -0.036 0.000 1.005 673 N HN 0.788 nan 8.380 nan 0.000 0.550 674 I N -4.017 116.781 120.570 0.381 0.000 3.817 674 I HA 0.291 4.461 4.170 -0.000 0.000 0.325 674 I C 0.693 177.136 176.117 0.544 0.000 1.550 674 I CA -0.469 61.060 61.300 0.381 0.000 1.100 674 I CB 0.597 38.684 38.000 0.145 0.000 1.216 674 I HN -0.154 nan 8.210 nan 0.000 0.481 675 E N 1.065 121.554 120.200 0.481 0.000 2.166 675 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 675 E C 0.730 177.435 176.600 0.175 0.000 0.967 675 E CA 0.321 56.948 56.400 0.379 0.000 0.840 675 E CB 0.063 29.776 29.700 0.021 0.000 0.795 675 E HN 0.357 nan 8.360 nan 0.000 0.470 676 N N 0.886 119.377 118.700 -0.348 0.000 2.411 676 N HA -0.077 4.663 4.740 -0.000 0.000 0.259 676 N C 0.193 175.475 175.510 -0.379 0.000 1.103 676 N CA -0.053 52.549 53.050 -0.747 0.000 0.954 676 N CB 0.319 37.525 38.487 -2.136 0.000 1.085 676 N HN 0.279 nan 8.380 nan 0.000 0.485 677 W N 3.741 124.899 121.300 -0.238 0.000 2.350 677 W HA -0.226 4.434 4.660 -0.000 0.000 0.289 677 W C 1.305 177.756 176.519 -0.114 0.000 1.215 677 W CA 2.076 59.356 57.345 -0.109 0.000 1.236 677 W CB -0.099 29.297 29.460 -0.106 0.000 1.130 677 W HN 0.636 nan 8.180 nan 0.000 0.541 678 T N -2.224 112.134 114.554 -0.326 0.000 3.035 678 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 678 T C 0.557 175.174 174.700 -0.139 0.000 1.109 678 T CA 0.259 62.197 62.100 -0.271 0.000 1.119 678 T CB -0.685 68.109 68.868 -0.123 0.000 0.900 678 T HN -0.044 nan 8.240 nan 0.000 0.503 679 W N 1.258 122.457 121.300 -0.168 0.000 2.190 679 W HA 0.682 5.342 4.660 -0.000 0.000 0.330 679 W C 1.574 177.984 176.519 -0.182 0.000 1.299 679 W CA -1.521 55.751 57.345 -0.122 0.000 1.215 679 W CB 0.162 29.593 29.460 -0.048 0.000 1.147 679 W HN 0.228 nan 8.180 nan 0.000 0.563 680 A N 2.935 125.818 122.820 0.105 0.000 1.940 680 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 680 A C 2.108 179.701 177.584 0.016 0.000 1.176 680 A CA 1.812 53.856 52.037 0.011 0.000 0.631 680 A CB -0.465 18.550 19.000 0.025 0.000 0.814 680 A HN 0.699 nan 8.150 nan 0.000 0.446 681 K N -0.854 119.584 120.400 0.064 0.000 2.026 681 K HA -0.143 4.176 4.320 -0.000 0.000 0.208 681 K C 2.062 178.647 176.600 -0.025 0.000 1.048 681 K CA 1.882 58.197 56.287 0.047 0.000 0.929 681 K CB -0.370 32.154 32.500 0.041 0.000 0.713 681 K HN 0.456 nan 8.250 nan 0.000 0.439 682 T N 1.463 116.057 114.554 0.066 0.000 2.665 682 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 682 T C 1.781 176.457 174.700 -0.040 0.000 1.035 682 T CA 1.657 63.809 62.100 0.087 0.000 1.151 682 T CB -0.184 68.738 68.868 0.089 0.000 0.862 682 T HN 0.411 nan 8.240 nan 0.000 0.438 683 Q N 0.084 119.730 119.800 -0.256 0.000 2.230 683 Q HA 0.053 4.393 4.340 -0.000 0.000 0.202 683 Q C 2.732 178.669 176.000 -0.105 0.000 0.963 683 Q CA 1.000 56.621 55.803 -0.304 0.000 0.866 683 Q CB -0.274 28.208 28.738 -0.427 0.000 0.931 683 Q HN 0.598 nan 8.270 nan 0.000 0.452 684 G N 0.366 109.093 108.800 -0.122 0.000 2.403 684 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 684 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 684 G C 1.500 176.128 174.900 -0.452 0.000 1.154 684 G CA 0.497 45.540 45.100 -0.095 0.000 0.784 684 G HN 0.176 nan 8.290 nan 0.000 0.538 685 V N -0.102 119.381 119.914 -0.720 0.000 2.358 685 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 685 V C 2.249 178.233 176.094 -0.183 0.000 1.047 685 V CA 1.649 63.495 62.300 -0.758 0.000 1.035 685 V CB -0.699 30.857 31.823 -0.444 0.000 0.658 685 V HN 0.481 nan 8.190 nan 0.000 0.452 686 Y N 2.055 122.303 120.300 -0.087 0.000 2.128 686 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 686 Y C 2.529 178.280 175.900 -0.249 0.000 1.154 686 Y CA 2.176 60.086 58.100 -0.316 0.000 1.149 686 Y CB -0.318 37.929 38.460 -0.355 0.000 0.976 686 Y HN 0.298 nan 8.280 nan 0.000 0.505 687 N N 0.188 118.847 118.700 -0.068 0.000 2.166 687 N HA -0.238 4.502 4.740 -0.000 0.000 0.186 687 N C 2.021 177.384 175.510 -0.244 0.000 1.019 687 N CA 1.795 54.778 53.050 -0.111 0.000 0.856 687 N CB -0.596 37.894 38.487 0.004 0.000 0.993 687 N HN 0.556 nan 8.380 nan 0.000 0.426 688 M N 0.561 119.975 119.600 -0.309 0.000 2.067 688 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 688 M C 1.642 177.470 176.300 -0.786 0.000 1.069 688 M CA 1.385 56.370 55.300 -0.525 0.000 1.117 688 M CB -0.030 32.237 32.600 -0.555 0.000 1.334 688 M HN -0.121 nan 8.290 nan 0.000 0.407 689 V N 0.805 120.338 119.914 -0.635 0.000 2.332 689 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 689 V C 2.534 178.424 176.094 -0.340 0.000 1.055 689 V CA 2.316 64.334 62.300 -0.471 0.000 1.038 689 V CB -1.124 30.576 31.823 -0.205 0.000 0.651 689 V HN 0.570 nan 8.190 nan 0.000 0.450 690 R N 0.372 120.605 120.500 -0.444 0.000 2.073 690 R HA -0.246 4.094 4.340 -0.000 0.000 0.234 690 R C 2.160 178.358 176.300 -0.170 0.000 1.134 690 R CA 2.384 58.266 56.100 -0.363 0.000 0.952 690 R CB -0.516 29.507 30.300 -0.462 0.000 0.850 690 R HN 0.605 nan 8.270 nan 0.000 0.433 691 D N -0.379 119.932 120.400 -0.148 0.000 2.104 691 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 691 D C 1.704 178.082 176.300 0.130 0.000 0.994 691 D CA 1.354 55.346 54.000 -0.014 0.000 0.830 691 D CB -0.130 40.665 40.800 -0.008 0.000 0.959 691 D HN 0.169 nan 8.370 nan 0.000 0.452 692 F N 1.139 121.008 119.950 -0.136 0.000 2.069 692 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 692 F C 2.365 178.097 175.800 -0.115 0.000 1.113 692 F CA 1.020 58.935 58.000 -0.141 0.000 1.214 692 F CB -0.888 37.980 39.000 -0.220 0.000 0.978 692 F HN 0.014 nan 8.300 nan 0.000 0.474 693 K N 0.289 120.742 120.400 0.088 0.000 2.097 693 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 693 K C 2.014 178.618 176.600 0.007 0.000 1.049 693 K CA 1.114 57.413 56.287 0.019 0.000 0.933 693 K CB -0.887 31.603 32.500 -0.018 0.000 0.717 693 K HN 0.440 nan 8.250 nan 0.000 0.442 694 Q N 0.932 120.735 119.800 0.004 0.000 2.124 694 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 694 Q C 1.417 177.422 176.000 0.008 0.000 0.977 694 Q CA 1.377 57.181 55.803 0.001 0.000 0.850 694 Q CB 0.173 28.909 28.738 -0.004 0.000 0.901 694 Q HN 0.209 nan 8.270 nan 0.000 0.429 695 R N -1.332 119.179 120.500 0.019 0.000 2.334 695 R HA 0.152 4.492 4.340 -0.000 0.000 0.216 695 R C 0.698 176.988 176.300 -0.016 0.000 0.905 695 R CA 0.495 56.598 56.100 0.005 0.000 1.064 695 R CB 0.725 31.032 30.300 0.012 0.000 1.046 695 R HN 0.434 nan 8.270 nan 0.000 0.508 696 G N 1.148 109.939 108.800 -0.016 0.000 2.136 696 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 696 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 696 G C 0.184 175.047 174.900 -0.062 0.000 0.989 696 G CA -0.026 45.058 45.100 -0.027 0.000 0.682 696 G HN 0.140 nan 8.290 nan 0.000 0.522 697 V N 1.415 121.259 119.914 -0.116 0.000 2.572 697 V HA 0.296 4.416 4.120 -0.000 0.000 0.291 697 V C -1.343 174.651 176.094 -0.168 0.000 1.039 697 V CA -0.868 61.281 62.300 -0.251 0.000 1.055 697 V CB 1.158 32.581 31.823 -0.666 0.000 0.969 697 V HN 0.159 nan 8.190 nan 0.000 0.482 698 P HA 0.303 nan 4.420 nan 0.000 0.263 698 P C -0.556 176.762 177.300 0.029 0.000 1.276 698 P CA 0.483 63.587 63.100 0.006 0.000 0.986 698 P CB 0.078 31.817 31.700 0.066 0.000 1.105 699 I N 2.373 122.934 120.570 -0.016 0.000 2.571 699 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 699 I C -0.249 175.902 176.117 0.057 0.000 1.115 699 I CA -0.458 60.812 61.300 -0.051 0.000 1.045 699 I CB 2.254 40.076 38.000 -0.297 0.000 1.238 699 I HN 0.068 nan 8.210 nan 0.000 0.424 700 D N 5.597 126.078 120.400 0.136 0.000 2.423 700 D HA 0.156 4.796 4.640 -0.000 0.000 0.208 700 D C 0.060 176.441 176.300 0.136 0.000 1.068 700 D CA 0.438 54.515 54.000 0.128 0.000 0.860 700 D CB 0.905 41.791 40.800 0.144 0.000 0.992 700 D HN 0.454 nan 8.370 nan 0.000 0.504 701 c N -0.031 118.665 118.600 0.160 0.000 3.285 701 c HA 0.668 5.238 4.570 -0.000 0.000 0.325 701 c C -1.689 172.484 174.090 0.140 0.000 1.304 701 c CA -0.486 55.936 56.329 0.155 0.000 1.319 701 c CB 1.262 43.868 42.510 0.160 0.000 1.640 701 c HN -0.097 nan 8.230 nan 0.000 0.477 702 V N 2.984 122.950 119.914 0.088 0.000 2.531 702 V HA 0.746 4.866 4.120 -0.000 0.000 0.301 702 V C 0.751 176.740 176.094 -0.175 0.000 1.034 702 V CA 0.386 62.633 62.300 -0.088 0.000 0.865 702 V CB 1.638 33.274 31.823 -0.312 0.000 0.995 702 V HN 1.293 nan 8.190 nan 0.000 0.424 703 G N 3.454 112.103 108.800 -0.252 0.000 2.322 703 G HA2 0.620 4.580 3.960 -0.000 0.000 0.309 703 G HA3 0.620 4.580 3.960 -0.000 0.000 0.309 703 G C -1.055 173.613 174.900 -0.387 0.000 1.121 703 G CA -0.255 44.738 45.100 -0.178 0.000 0.886 703 G HN 0.438 nan 8.290 nan 0.000 0.447 704 F N 1.497 121.421 119.950 -0.044 0.000 2.313 704 F HA 0.280 4.807 4.527 -0.000 0.000 0.369 704 F C 1.711 177.443 175.800 -0.113 0.000 1.109 704 F CA -0.595 57.395 58.000 -0.017 0.000 1.132 704 F CB 1.817 40.929 39.000 0.186 0.000 1.291 704 F HN 0.541 nan 8.300 nan 0.000 0.496 705 Q N 1.263 121.001 119.800 -0.102 0.000 2.152 705 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 705 Q C 0.722 176.429 176.000 -0.488 0.000 0.985 705 Q CA 1.610 57.224 55.803 -0.315 0.000 0.863 705 Q CB -0.152 28.444 28.738 -0.236 0.000 0.904 705 Q HN 0.769 nan 8.270 nan 0.000 0.422 706 S N 0.287 115.719 115.700 -0.447 0.000 3.711 706 S HA -0.123 4.347 4.470 -0.000 0.000 0.374 706 S C -0.791 173.194 174.600 -1.025 0.000 0.969 706 S CA 0.098 57.747 58.200 -0.919 0.000 1.198 706 S CB -1.471 61.429 63.200 -0.500 0.000 0.903 706 S HN 0.405 nan 8.310 nan 0.000 0.493 707 H N 0.628 119.375 119.070 -0.539 0.000 2.872 707 H HA 0.356 4.912 4.556 -0.000 0.000 0.273 707 H C -0.000 175.186 175.328 -0.237 0.000 1.205 707 H CA -0.092 55.824 56.048 -0.220 0.000 1.342 707 H CB -0.127 29.649 29.762 0.022 0.000 1.469 707 H HN 0.271 nan 8.280 nan 0.000 0.487 708 F N 2.958 123.001 119.950 0.156 0.000 2.404 708 F HA 0.214 4.741 4.527 -0.000 0.000 0.339 708 F C 0.729 176.591 175.800 0.103 0.000 1.105 708 F CA -0.717 57.354 58.000 0.119 0.000 1.087 708 F CB 1.136 40.168 39.000 0.053 0.000 1.143 708 F HN 0.546 nan 8.300 nan 0.000 0.491 709 N N -2.152 116.732 118.700 0.306 0.000 3.106 709 N HA 0.201 4.941 4.740 -0.000 0.000 0.253 709 N C -0.018 175.588 175.510 0.159 0.000 1.506 709 N CA -0.393 52.763 53.050 0.178 0.000 0.876 709 N CB 0.515 39.066 38.487 0.107 0.000 1.452 709 N HN 0.232 nan 8.380 nan 0.000 0.542 710 S N -2.232 113.532 115.700 0.106 0.000 2.469 710 S HA 0.022 4.492 4.470 -0.000 0.000 0.238 710 S C 1.585 176.243 174.600 0.097 0.000 0.998 710 S CA 1.017 59.273 58.200 0.095 0.000 0.957 710 S CB -1.123 62.116 63.200 0.065 0.000 0.764 710 S HN 0.783 nan 8.310 nan 0.000 0.514 711 G N 1.416 110.270 108.800 0.091 0.000 2.396 711 G HA2 0.119 4.079 3.960 -0.000 0.000 0.214 711 G HA3 0.119 4.079 3.960 -0.000 0.000 0.214 711 G C 0.692 175.657 174.900 0.108 0.000 1.166 711 G CA 0.541 45.685 45.100 0.072 0.000 0.793 711 G HN 0.895 nan 8.290 nan 0.000 0.533 712 S N 1.186 116.992 115.700 0.177 0.000 2.279 712 S HA 0.529 4.999 4.470 -0.000 0.000 0.176 712 S C -2.958 171.910 174.600 0.448 0.000 1.554 712 S CA -1.339 57.044 58.200 0.305 0.000 1.242 712 S CB 2.568 65.898 63.200 0.216 0.000 1.163 712 S HN 0.137 nan 8.310 nan 0.000 0.449 713 P HA 0.152 nan 4.420 nan 0.000 0.274 713 P C -0.448 176.941 177.300 0.147 0.000 1.237 713 P CA -0.395 62.859 63.100 0.258 0.000 0.793 713 P CB 0.505 32.292 31.700 0.146 0.000 0.977 714 Y N 2.494 122.592 120.300 -0.337 0.000 2.497 714 Y HA 0.156 4.706 4.550 -0.000 0.000 0.334 714 Y C 0.049 175.721 175.900 -0.381 0.000 1.199 714 Y CA 0.327 57.897 58.100 -0.884 0.000 1.425 714 Y CB 0.203 37.930 38.460 -1.222 0.000 1.291 714 Y HN 0.335 nan 8.280 nan 0.000 0.562 715 N N 2.645 120.631 118.700 -1.191 0.000 2.258 715 N HA 0.089 4.829 4.740 -0.000 0.000 0.299 715 N C 0.281 175.133 175.510 -1.096 0.000 1.047 715 N CA 0.203 52.741 53.050 -0.853 0.000 0.814 715 N CB 2.052 40.249 38.487 -0.483 0.000 1.413 715 N HN 0.824 nan 8.380 nan 0.000 0.478 716 S N 2.298 117.610 115.700 -0.646 0.000 2.465 716 S HA -0.216 4.254 4.470 -0.000 0.000 0.241 716 S C 1.160 175.652 174.600 -0.180 0.000 1.000 716 S CA 1.247 59.257 58.200 -0.316 0.000 0.964 716 S CB -0.530 62.617 63.200 -0.089 0.000 0.763 716 S HN 0.777 nan 8.310 nan 0.000 0.512 717 N N 0.970 119.555 118.700 -0.192 0.000 2.571 717 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 717 N C 0.937 176.440 175.510 -0.012 0.000 1.154 717 N CA 0.243 53.238 53.050 -0.092 0.000 0.907 717 N CB -0.973 37.477 38.487 -0.062 0.000 0.977 717 N HN 0.429 nan 8.380 nan 0.000 0.449 718 F N 1.710 121.525 119.950 -0.225 0.000 2.216 718 F HA 0.046 4.573 4.527 -0.000 0.000 0.300 718 F C 2.289 178.034 175.800 -0.092 0.000 1.085 718 F CA 0.827 58.749 58.000 -0.129 0.000 1.326 718 F CB -0.283 38.671 39.000 -0.076 0.000 1.027 718 F HN 0.096 nan 8.300 nan 0.000 0.497 719 R N -0.123 120.300 120.500 -0.128 0.000 2.096 719 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 719 R C 2.303 178.460 176.300 -0.238 0.000 1.127 719 R CA 2.067 58.023 56.100 -0.238 0.000 0.968 719 R CB -0.603 29.628 30.300 -0.115 0.000 0.861 719 R HN 0.476 nan 8.270 nan 0.000 0.440 720 T N -2.709 111.734 114.554 -0.186 0.000 2.904 720 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 720 T C 1.801 176.340 174.700 -0.268 0.000 1.059 720 T CA 1.618 63.569 62.100 -0.249 0.000 1.137 720 T CB -0.338 68.352 68.868 -0.296 0.000 0.879 720 T HN 0.154 nan 8.240 nan 0.000 0.467 721 T N 2.470 116.963 114.554 -0.102 0.000 2.708 721 T HA 0.101 4.451 4.350 -0.000 0.000 0.266 721 T C 1.886 176.642 174.700 0.094 0.000 1.037 721 T CA 1.402 63.604 62.100 0.170 0.000 1.146 721 T CB -0.515 68.584 68.868 0.386 0.000 0.865 721 T HN 0.307 nan 8.240 nan 0.000 0.435 722 L N 0.731 121.773 121.223 -0.301 0.000 2.046 722 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 722 L C 2.905 179.724 176.870 -0.084 0.000 1.077 722 L CA 1.511 56.141 54.840 -0.350 0.000 0.747 722 L CB -0.654 41.034 42.059 -0.618 0.000 0.896 722 L HN 0.343 nan 8.230 nan 0.000 0.432 723 Q N -0.307 119.411 119.800 -0.136 0.000 2.084 723 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 723 Q C 2.057 178.022 176.000 -0.058 0.000 0.978 723 Q CA 1.419 57.162 55.803 -0.099 0.000 0.844 723 Q CB -0.184 28.465 28.738 -0.148 0.000 0.898 723 Q HN 0.492 nan 8.270 nan 0.000 0.426 724 N N 0.301 118.932 118.700 -0.115 0.000 2.069 724 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 724 N C 1.519 177.105 175.510 0.127 0.000 1.031 724 N CA 1.252 54.218 53.050 -0.141 0.000 0.852 724 N CB -0.388 37.763 38.487 -0.560 0.000 1.018 724 N HN 0.177 nan 8.380 nan 0.000 0.423 725 F N 1.319 121.404 119.950 0.225 0.000 2.146 725 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 725 F C 2.400 178.275 175.800 0.125 0.000 1.096 725 F CA 0.983 59.138 58.000 0.259 0.000 1.275 725 F CB -0.563 38.657 39.000 0.367 0.000 1.008 725 F HN 0.012 nan 8.300 nan 0.000 0.480 726 A N 0.015 122.986 122.820 0.252 0.000 1.978 726 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 726 A C 2.332 179.964 177.584 0.080 0.000 1.170 726 A CA 1.677 53.793 52.037 0.133 0.000 0.636 726 A CB -1.253 17.785 19.000 0.063 0.000 0.810 726 A HN 0.310 nan 8.150 nan 0.000 0.448 727 A N -0.600 122.256 122.820 0.060 0.000 2.121 727 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 727 A C 1.891 179.488 177.584 0.021 0.000 1.154 727 A CA 1.074 53.127 52.037 0.026 0.000 0.679 727 A CB -0.474 18.529 19.000 0.006 0.000 0.795 727 A HN 0.483 nan 8.150 nan 0.000 0.458 728 L N -1.373 119.863 121.223 0.021 0.000 2.552 728 L HA 0.142 4.482 4.340 -0.000 0.000 0.227 728 L C 1.548 178.416 176.870 -0.004 0.000 1.146 728 L CA 0.615 55.433 54.840 -0.036 0.000 0.858 728 L CB -0.202 41.777 42.059 -0.133 0.000 0.969 728 L HN 0.577 nan 8.230 nan 0.000 0.451 729 G N 0.743 109.561 108.800 0.029 0.000 2.141 729 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.195 729 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.195 729 G C -0.028 174.905 174.900 0.055 0.000 1.012 729 G CA 0.016 45.136 45.100 0.034 0.000 0.696 729 G HN 0.215 nan 8.290 nan 0.000 0.508 730 V N -3.199 116.767 119.914 0.086 0.000 2.914 730 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 730 V C -0.184 175.986 176.094 0.127 0.000 1.084 730 V CA -1.525 60.840 62.300 0.109 0.000 0.963 730 V CB 2.133 34.037 31.823 0.135 0.000 1.025 730 V HN 0.040 nan 8.190 nan 0.000 0.432 731 D N 1.392 121.866 120.400 0.122 0.000 2.354 731 D HA 0.600 5.240 4.640 -0.000 0.000 0.247 731 D C -0.021 176.372 176.300 0.155 0.000 1.138 731 D CA 0.120 54.191 54.000 0.119 0.000 0.958 731 D CB 2.066 42.933 40.800 0.111 0.000 1.144 731 D HN 0.940 nan 8.370 nan 0.000 0.458 732 V N -3.006 116.996 119.914 0.146 0.000 2.914 732 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 732 V C -0.912 175.280 176.094 0.163 0.000 1.084 732 V CA -0.962 61.465 62.300 0.211 0.000 0.963 732 V CB 1.565 33.508 31.823 0.200 0.000 1.025 732 V HN 0.698 nan 8.190 nan 0.000 0.432 733 A N 3.319 126.283 122.820 0.239 0.000 2.547 733 A HA 0.836 5.156 4.320 -0.000 0.000 0.297 733 A C -1.031 176.693 177.584 0.234 0.000 1.056 733 A CA -0.631 51.510 52.037 0.174 0.000 0.688 733 A CB 1.527 20.640 19.000 0.188 0.000 1.282 733 A HN 0.966 nan 8.150 nan 0.000 0.400 734 I N 2.870 123.530 120.570 0.150 0.000 2.291 734 I HA 0.198 4.368 4.170 -0.000 0.000 0.292 734 I C 1.530 177.687 176.117 0.067 0.000 1.064 734 I CA 0.070 61.468 61.300 0.163 0.000 1.269 734 I CB 1.488 39.579 38.000 0.151 0.000 1.418 734 I HN 0.907 nan 8.210 nan 0.000 0.485 735 T N 0.938 115.501 114.554 0.014 0.000 3.031 735 T HA 0.146 4.496 4.350 -0.000 0.000 0.254 735 T C 0.831 175.454 174.700 -0.128 0.000 1.060 735 T CA 0.361 62.428 62.100 -0.054 0.000 1.135 735 T CB 0.086 68.883 68.868 -0.118 0.000 0.896 735 T HN 0.573 nan 8.240 nan 0.000 0.472 736 E N 0.930 120.960 120.200 -0.283 0.000 3.729 736 E HA 0.328 4.678 4.350 -0.000 0.000 0.195 736 E C -1.024 175.345 176.600 -0.385 0.000 1.005 736 E CA -0.492 55.676 56.400 -0.387 0.000 1.356 736 E CB 0.674 29.737 29.700 -1.061 0.000 1.138 736 E HN 0.230 nan 8.360 nan 0.000 0.450 737 L N 2.979 124.123 121.223 -0.131 0.000 2.540 737 L HA 0.080 4.420 4.340 -0.000 0.000 0.276 737 L C -0.668 176.300 176.870 0.164 0.000 1.212 737 L CA 0.811 55.624 54.840 -0.044 0.000 0.893 737 L CB 0.107 42.219 42.059 0.090 0.000 1.138 737 L HN 0.173 nan 8.230 nan 0.000 0.491 738 D N 4.013 124.501 120.400 0.147 0.000 2.769 738 D HA 0.438 5.078 4.640 -0.000 0.000 0.219 738 D C -1.040 175.375 176.300 0.191 0.000 1.245 738 D CA -0.332 53.853 54.000 0.308 0.000 0.801 738 D CB 0.408 41.503 40.800 0.492 0.000 1.598 738 D HN 0.394 nan 8.370 nan 0.000 0.485 739 I N 0.972 121.622 120.570 0.134 0.000 2.439 739 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 739 I C -0.047 176.156 176.117 0.143 0.000 1.021 739 I CA -0.940 60.413 61.300 0.087 0.000 1.091 739 I CB 2.051 39.937 38.000 -0.191 0.000 1.242 739 I HN 0.401 nan 8.210 nan 0.000 0.439 740 Q N 5.255 125.139 119.800 0.139 0.000 2.262 740 Q HA 0.130 4.470 4.340 -0.000 0.000 0.298 740 Q C 1.143 177.201 176.000 0.096 0.000 1.083 740 Q CA 1.469 57.335 55.803 0.106 0.000 0.962 740 Q CB 0.381 29.169 28.738 0.083 0.000 1.104 740 Q HN 1.020 nan 8.270 nan 0.000 0.376 741 G N 3.203 112.061 108.800 0.097 0.000 2.241 741 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.244 741 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.244 741 G C 0.509 175.476 174.900 0.111 0.000 0.998 741 G CA 0.160 45.309 45.100 0.082 0.000 0.621 741 G HN 1.893 nan 8.290 nan 0.000 0.519 742 A N -0.913 122.014 122.820 0.177 0.000 2.687 742 A HA 0.092 4.412 4.320 -0.000 0.000 0.299 742 A C 1.273 179.008 177.584 0.251 0.000 1.497 742 A CA 1.836 54.062 52.037 0.315 0.000 0.751 742 A CB -1.974 17.202 19.000 0.294 0.000 1.048 742 A HN 2.479 nan 8.150 nan 0.000 0.464 743 S N 0.010 115.799 115.700 0.148 0.000 2.575 743 S HA 0.303 4.773 4.470 -0.000 0.000 0.295 743 S C 1.557 176.242 174.600 0.141 0.000 1.267 743 S CA 0.461 58.714 58.200 0.088 0.000 1.074 743 S CB 0.500 63.718 63.200 0.030 0.000 0.829 743 S HN 1.046 nan 8.310 nan 0.000 0.497 744 S N 4.272 120.023 115.700 0.086 0.000 2.370 744 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 744 S C 2.199 176.850 174.600 0.084 0.000 1.033 744 S CA 1.675 59.931 58.200 0.094 0.000 1.011 744 S CB -0.445 62.783 63.200 0.048 0.000 0.852 744 S HN 0.814 nan 8.310 nan 0.000 0.457 745 S N 1.079 116.803 115.700 0.041 0.000 2.368 745 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 745 S C 2.129 176.704 174.600 -0.041 0.000 1.030 745 S CA 1.535 59.743 58.200 0.015 0.000 0.999 745 S CB -0.628 62.580 63.200 0.012 0.000 0.844 745 S HN 0.593 nan 8.310 nan 0.000 0.459 746 T N 0.732 115.241 114.554 -0.075 0.000 2.777 746 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 746 T C 1.510 176.035 174.700 -0.292 0.000 1.040 746 T CA 1.098 63.041 62.100 -0.263 0.000 1.141 746 T CB -0.422 68.300 68.868 -0.242 0.000 0.868 746 T HN 0.344 nan 8.240 nan 0.000 0.444 747 Y N 1.553 121.786 120.300 -0.112 0.000 2.224 747 Y HA -0.014 4.536 4.550 -0.000 0.000 0.289 747 Y C 2.657 178.525 175.900 -0.054 0.000 1.146 747 Y CA 0.682 58.756 58.100 -0.045 0.000 1.182 747 Y CB -0.683 37.787 38.460 0.016 0.000 0.983 747 Y HN 0.206 nan 8.280 nan 0.000 0.524 748 A N -0.437 122.441 122.820 0.097 0.000 1.898 748 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 748 A C 2.438 180.015 177.584 -0.012 0.000 1.181 748 A CA 1.574 53.637 52.037 0.043 0.000 0.620 748 A CB -1.228 17.790 19.000 0.029 0.000 0.819 748 A HN 0.396 nan 8.150 nan 0.000 0.442 749 A N -0.428 122.329 122.820 -0.104 0.000 1.883 749 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 749 A C 2.227 179.723 177.584 -0.146 0.000 1.186 749 A CA 1.909 53.858 52.037 -0.146 0.000 0.624 749 A CB -1.001 17.825 19.000 -0.291 0.000 0.822 749 A HN 0.402 nan 8.150 nan 0.000 0.444 750 V N -0.242 119.505 119.914 -0.279 0.000 2.343 750 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 750 V C 2.743 178.904 176.094 0.111 0.000 1.051 750 V CA 2.452 64.729 62.300 -0.038 0.000 1.036 750 V CB -1.270 30.529 31.823 -0.040 0.000 0.654 750 V HN 0.623 nan 8.190 nan 0.000 0.451 751 T N 0.360 114.978 114.554 0.106 0.000 2.708 751 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 751 T C 1.815 176.559 174.700 0.074 0.000 1.037 751 T CA 1.636 63.817 62.100 0.135 0.000 1.146 751 T CB -0.382 68.577 68.868 0.151 0.000 0.865 751 T HN 0.425 nan 8.240 nan 0.000 0.435 752 N N 1.294 120.022 118.700 0.047 0.000 2.309 752 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 752 N C 1.468 176.987 175.510 0.016 0.000 1.018 752 N CA 0.823 53.889 53.050 0.027 0.000 0.876 752 N CB -0.343 38.157 38.487 0.021 0.000 0.972 752 N HN 0.374 nan 8.380 nan 0.000 0.434 753 D N 0.261 120.682 120.400 0.035 0.000 2.117 753 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 753 D C 2.019 178.269 176.300 -0.083 0.000 0.982 753 D CA 0.534 54.527 54.000 -0.012 0.000 0.828 753 D CB -0.479 40.350 40.800 0.048 0.000 0.967 753 D HN 0.195 nan 8.370 nan 0.000 0.464 754 c N 0.696 119.269 118.600 -0.044 0.000 2.446 754 c HA -0.048 4.522 4.570 -0.000 0.000 0.277 754 c C 2.474 176.531 174.090 -0.055 0.000 1.275 754 c CA 0.210 56.497 56.329 -0.070 0.000 1.727 754 c CB -1.117 41.376 42.510 -0.028 0.000 2.010 754 c HN 0.266 nan 8.230 nan 0.000 0.486 755 L N 1.073 122.282 121.223 -0.024 0.000 2.362 755 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 755 L C 2.666 179.518 176.870 -0.029 0.000 1.134 755 L CA 1.828 56.657 54.840 -0.019 0.000 0.807 755 L CB -1.519 40.539 42.059 -0.000 0.000 0.927 755 L HN 0.537 nan 8.230 nan 0.000 0.447 756 A N -0.941 121.855 122.820 -0.041 0.000 2.132 756 A HA 0.115 4.435 4.320 -0.000 0.000 0.213 756 A C 0.954 178.502 177.584 -0.060 0.000 1.154 756 A CA 0.136 52.145 52.037 -0.046 0.000 0.753 756 A CB 0.174 19.145 19.000 -0.049 0.000 0.826 756 A HN 0.101 nan 8.150 nan 0.000 0.469 757 V N 1.683 121.553 119.914 -0.074 0.000 2.328 757 V HA 0.152 4.272 4.120 -0.000 0.000 0.278 757 V C 1.487 177.550 176.094 -0.051 0.000 1.021 757 V CA 0.274 62.528 62.300 -0.076 0.000 0.838 757 V CB 0.910 32.662 31.823 -0.118 0.000 0.999 757 V HN 0.592 nan 8.190 nan 0.000 0.447 758 S N 4.665 120.345 115.700 -0.034 0.000 2.400 758 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 758 S C 1.546 176.140 174.600 -0.009 0.000 1.025 758 S CA 0.927 59.116 58.200 -0.019 0.000 0.993 758 S CB -0.201 62.993 63.200 -0.011 0.000 0.808 758 S HN 0.669 nan 8.310 nan 0.000 0.478 759 R N 0.139 120.636 120.500 -0.006 0.000 2.310 759 R HA 0.199 4.539 4.340 -0.000 0.000 0.202 759 R C 0.236 176.543 176.300 0.012 0.000 0.933 759 R CA 0.035 56.144 56.100 0.016 0.000 1.054 759 R CB -0.866 29.455 30.300 0.035 0.000 0.985 759 R HN 0.482 nan 8.270 nan 0.000 0.489 760 c N 1.948 120.533 118.600 -0.024 0.000 2.416 760 c HA 0.200 4.770 4.570 -0.000 0.000 0.355 760 c C 2.038 176.087 174.090 -0.068 0.000 1.211 760 c CA -0.611 55.690 56.329 -0.046 0.000 1.699 760 c CB -1.123 41.335 42.510 -0.087 0.000 2.310 760 c HN 0.452 nan 8.230 nan 0.000 0.539 761 L N 5.416 126.609 121.223 -0.051 0.000 2.141 761 L HA 0.216 4.556 4.340 -0.000 0.000 0.209 761 L C 1.558 178.148 176.870 -0.467 0.000 1.094 761 L CA 1.203 55.992 54.840 -0.085 0.000 0.763 761 L CB -0.745 41.384 42.059 0.117 0.000 0.908 761 L HN 0.948 nan 8.230 nan 0.000 0.437 762 G N -0.718 107.711 108.800 -0.618 0.000 2.327 762 G HA2 0.334 4.294 3.960 -0.000 0.000 0.291 762 G HA3 0.334 4.294 3.960 -0.000 0.000 0.291 762 G C -1.791 172.731 174.900 -0.630 0.000 1.290 762 G CA -0.818 43.674 45.100 -1.013 0.000 0.857 762 G HN -0.099 nan 8.290 nan 0.000 0.520 763 I N 0.339 120.575 120.570 -0.556 0.000 2.545 763 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 763 I C -0.399 175.462 176.117 -0.426 0.000 1.040 763 I CA -0.665 60.398 61.300 -0.396 0.000 1.068 763 I CB 2.712 40.428 38.000 -0.472 0.000 1.251 763 I HN 0.399 nan 8.210 nan 0.000 0.424 764 T N 5.250 119.704 114.554 -0.166 0.000 2.812 764 T HA 0.469 4.819 4.350 -0.000 0.000 0.282 764 T C -0.369 174.308 174.700 -0.038 0.000 0.990 764 T CA -0.531 61.513 62.100 -0.093 0.000 0.960 764 T CB 1.613 70.509 68.868 0.047 0.000 0.948 764 T HN 0.362 nan 8.240 nan 0.000 0.438 765 V N 1.103 121.023 119.914 0.010 0.000 2.617 765 V HA 0.493 4.613 4.120 -0.000 0.000 0.298 765 V C 0.227 176.442 176.094 0.202 0.000 1.048 765 V CA -1.148 61.274 62.300 0.204 0.000 0.964 765 V CB 1.377 33.433 31.823 0.389 0.000 1.004 765 V HN 1.006 nan 8.190 nan 0.000 0.466 766 W N 4.810 126.133 121.300 0.039 0.000 1.395 766 W HA 0.543 5.203 4.660 -0.000 0.000 0.451 766 W C 0.554 177.120 176.519 0.079 0.000 0.619 766 W CA 0.681 58.033 57.345 0.012 0.000 2.212 766 W CB -0.016 29.479 29.460 0.058 0.000 1.537 766 W HN 1.229 nan 8.180 nan 0.000 0.275 767 G N 0.025 108.740 108.800 -0.141 0.000 2.340 767 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.527 767 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.527 767 G C -0.613 174.294 174.900 0.013 0.000 1.381 767 G CA -0.638 44.404 45.100 -0.098 0.000 1.001 767 G HN 0.037 nan 8.290 nan 0.000 0.626 768 V N 0.368 120.318 119.914 0.060 0.000 2.543 768 V HA 0.313 4.433 4.120 -0.000 0.000 0.232 768 V C 1.527 177.766 176.094 0.243 0.000 1.087 768 V CA 1.464 63.824 62.300 0.100 0.000 1.113 768 V CB -0.448 31.281 31.823 -0.156 0.000 0.779 768 V HN 0.691 nan 8.190 nan 0.000 0.495 769 R N 0.658 121.286 120.500 0.213 0.000 2.598 769 R HA 0.287 4.627 4.340 -0.000 0.000 0.279 769 R C 0.670 177.095 176.300 0.209 0.000 0.984 769 R CA -0.617 55.624 56.100 0.236 0.000 0.999 769 R CB 0.798 31.206 30.300 0.181 0.000 1.114 769 R HN 0.195 nan 8.270 nan 0.000 0.493 770 D N 0.721 121.238 120.400 0.194 0.000 2.158 770 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 770 D C 1.641 178.021 176.300 0.133 0.000 0.995 770 D CA 2.159 56.258 54.000 0.164 0.000 0.846 770 D CB -0.174 40.704 40.800 0.130 0.000 0.941 770 D HN 0.690 nan 8.370 nan 0.000 0.456 771 T N -1.652 112.969 114.554 0.112 0.000 3.051 771 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 771 T C 1.099 175.846 174.700 0.077 0.000 1.127 771 T CA 0.763 62.912 62.100 0.082 0.000 1.107 771 T CB 0.057 68.962 68.868 0.063 0.000 0.898 771 T HN 0.010 nan 8.240 nan 0.000 0.517 772 D N 1.148 121.611 120.400 0.105 0.000 2.367 772 D HA 0.138 4.778 4.640 -0.000 0.000 0.207 772 D C 0.870 177.239 176.300 0.115 0.000 1.034 772 D CA 0.118 54.167 54.000 0.082 0.000 0.861 772 D CB 0.189 41.066 40.800 0.129 0.000 0.943 772 D HN 0.428 nan 8.370 nan 0.000 0.515 773 S N 1.219 117.022 115.700 0.173 0.000 2.572 773 S HA 0.016 4.486 4.470 -0.000 0.000 0.279 773 S C 1.298 176.089 174.600 0.318 0.000 1.341 773 S CA -0.774 57.595 58.200 0.282 0.000 1.043 773 S CB 0.572 63.943 63.200 0.285 0.000 0.887 773 S HN 0.347 nan 8.310 nan 0.000 0.516 774 W N 5.077 126.458 121.300 0.135 0.000 2.699 774 W HA 0.158 4.818 4.660 0.000 0.000 0.249 774 W C 0.314 176.883 176.519 0.083 0.000 1.280 774 W CA -0.006 57.409 57.345 0.117 0.000 1.345 774 W CB -0.754 28.818 29.460 0.186 0.000 1.128 774 W HN 0.639 nan 8.180 nan 0.000 0.642 775 R N 1.394 121.777 120.500 -0.194 0.000 2.795 775 R HA 0.070 4.410 4.340 -0.000 0.000 0.320 775 R C 1.697 177.952 176.300 -0.075 0.000 1.223 775 R CA 0.530 56.432 56.100 -0.331 0.000 1.305 775 R CB 0.361 30.285 30.300 -0.627 0.000 1.318 775 R HN 0.057 nan 8.270 nan 0.000 0.636 776 S N -0.791 114.912 115.700 0.006 0.000 2.402 776 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 776 S C 2.005 176.620 174.600 0.026 0.000 1.030 776 S CA 1.481 59.709 58.200 0.046 0.000 1.003 776 S CB -0.253 62.979 63.200 0.053 0.000 0.813 776 S HN 0.549 nan 8.310 nan 0.000 0.477 777 G N 1.437 110.231 108.800 -0.008 0.000 2.470 777 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 777 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 777 G C 0.899 175.800 174.900 0.002 0.000 1.121 777 G CA 0.914 46.010 45.100 -0.006 0.000 0.766 777 G HN 0.550 nan 8.290 nan 0.000 0.553 778 D N 0.560 120.958 120.400 -0.003 0.000 2.340 778 D HA 0.048 4.688 4.640 -0.000 0.000 0.217 778 D C 1.441 177.780 176.300 0.065 0.000 1.081 778 D CA 0.946 54.959 54.000 0.021 0.000 0.842 778 D CB -0.300 40.502 40.800 0.003 0.000 0.934 778 D HN 0.359 nan 8.370 nan 0.000 0.511 779 T N -0.131 114.467 114.554 0.072 0.000 3.318 779 T HA -0.159 4.191 4.350 -0.000 0.000 0.413 779 T C -1.699 173.089 174.700 0.147 0.000 0.771 779 T CA 0.141 62.301 62.100 0.100 0.000 2.056 779 T CB -1.031 67.880 68.868 0.072 0.000 1.684 779 T HN 0.168 nan 8.240 nan 0.000 0.610 780 P HA 0.345 nan 4.420 nan 0.000 0.262 780 P C 0.619 178.155 177.300 0.393 0.000 1.304 780 P CA -0.281 62.981 63.100 0.270 0.000 0.859 780 P CB 0.397 32.246 31.700 0.247 0.000 1.310 781 L N -0.940 120.482 121.223 0.333 0.000 2.491 781 L HA 0.385 4.725 4.340 -0.000 0.000 0.264 781 L C 1.940 178.931 176.870 0.202 0.000 1.053 781 L CA -1.076 53.974 54.840 0.351 0.000 0.858 781 L CB 0.525 42.783 42.059 0.332 0.000 1.519 781 L HN -0.282 nan 8.230 nan 0.000 0.508 782 L N -0.619 120.702 121.223 0.162 0.000 2.529 782 L HA 0.211 4.551 4.340 -0.000 0.000 0.223 782 L C -0.594 176.113 176.870 -0.273 0.000 1.113 782 L CA 0.345 55.127 54.840 -0.096 0.000 0.861 782 L CB 0.115 42.115 42.059 -0.099 0.000 1.012 782 L HN 0.230 nan 8.230 nan 0.000 0.461 783 F N 0.040 120.045 119.950 0.091 0.000 2.551 783 F HA 0.300 4.827 4.527 -0.000 0.000 0.316 783 F C 0.315 176.141 175.800 0.044 0.000 1.089 783 F CA -1.427 56.595 58.000 0.038 0.000 0.915 783 F CB 1.154 40.174 39.000 0.033 0.000 1.186 783 F HN -0.075 nan 8.300 nan 0.000 0.456 784 N N 0.228 119.029 118.700 0.168 0.000 2.405 784 N HA 0.377 5.117 4.740 -0.000 0.000 0.269 784 N C 1.209 176.790 175.510 0.117 0.000 1.249 784 N CA -0.222 52.895 53.050 0.110 0.000 0.974 784 N CB 0.022 38.532 38.487 0.039 0.000 1.204 784 N HN 0.631 nan 8.380 nan 0.000 0.565 785 G N -0.574 108.275 108.800 0.082 0.000 2.505 785 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.220 785 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.220 785 G C 0.634 175.570 174.900 0.059 0.000 1.145 785 G CA 1.511 46.654 45.100 0.070 0.000 0.761 785 G HN 0.885 nan 8.290 nan 0.000 0.571 786 D N -0.571 119.856 120.400 0.045 0.000 2.324 786 D HA 0.267 4.907 4.640 -0.000 0.000 0.235 786 D C 1.661 177.984 176.300 0.038 0.000 1.095 786 D CA 0.565 54.584 54.000 0.031 0.000 0.871 786 D CB -0.617 40.191 40.800 0.013 0.000 0.906 786 D HN 0.561 nan 8.370 nan 0.000 0.522 787 G N 0.098 108.940 108.800 0.071 0.000 2.159 787 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 787 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 787 G C 0.376 175.368 174.900 0.152 0.000 0.977 787 G CA 0.424 45.575 45.100 0.085 0.000 0.652 787 G HN 0.813 nan 8.290 nan 0.000 0.531 788 S N -0.302 115.460 115.700 0.103 0.000 2.584 788 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 788 S C 0.282 174.891 174.600 0.015 0.000 1.311 788 S CA -0.406 57.822 58.200 0.046 0.000 1.034 788 S CB 1.683 64.866 63.200 -0.029 0.000 0.939 788 S HN 0.445 nan 8.310 nan 0.000 0.513 789 K N 1.802 122.107 120.400 -0.157 0.000 2.401 789 K HA 0.183 4.503 4.320 -0.000 0.000 0.278 789 K C 0.173 176.600 176.600 -0.287 0.000 1.018 789 K CA -0.006 55.978 56.287 -0.504 0.000 0.981 789 K CB 0.484 32.583 32.500 -0.669 0.000 0.933 789 K HN 0.547 nan 8.250 nan 0.000 0.477 790 K N 0.796 121.024 120.400 -0.286 0.000 2.109 790 K HA 0.219 4.539 4.320 -0.000 0.000 0.243 790 K C 1.149 177.705 176.600 -0.073 0.000 1.006 790 K CA -0.342 55.860 56.287 -0.142 0.000 0.917 790 K CB 0.969 33.400 32.500 -0.115 0.000 1.081 790 K HN 0.628 nan 8.250 nan 0.000 0.468 791 A N 1.059 123.860 122.820 -0.032 0.000 1.940 791 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 791 A C 2.139 179.733 177.584 0.017 0.000 1.176 791 A CA 2.315 54.375 52.037 0.038 0.000 0.631 791 A CB -0.975 18.037 19.000 0.021 0.000 0.814 791 A HN 0.784 nan 8.150 nan 0.000 0.446 792 A N -1.638 121.157 122.820 -0.041 0.000 1.972 792 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 792 A C 2.059 179.510 177.584 -0.223 0.000 1.169 792 A CA 1.605 53.581 52.037 -0.102 0.000 0.635 792 A CB -0.749 18.165 19.000 -0.145 0.000 0.810 792 A HN 0.781 nan 8.150 nan 0.000 0.446 793 Y N 1.214 121.312 120.300 -0.337 0.000 2.128 793 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 793 Y C 2.575 178.317 175.900 -0.264 0.000 1.154 793 Y CA 2.480 60.339 58.100 -0.401 0.000 1.149 793 Y CB -0.722 37.401 38.460 -0.563 0.000 0.976 793 Y HN 0.289 nan 8.280 nan 0.000 0.505 794 T N 0.809 115.346 114.554 -0.028 0.000 2.788 794 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 794 T C 2.082 176.712 174.700 -0.116 0.000 1.044 794 T CA 1.276 63.352 62.100 -0.041 0.000 1.139 794 T CB -0.722 68.191 68.868 0.074 0.000 0.867 794 T HN 0.517 nan 8.240 nan 0.000 0.454 795 A N 0.908 123.681 122.820 -0.078 0.000 1.902 795 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 795 A C 2.569 180.093 177.584 -0.101 0.000 1.181 795 A CA 1.266 53.278 52.037 -0.041 0.000 0.623 795 A CB -0.916 18.096 19.000 0.020 0.000 0.818 795 A HN 0.361 nan 8.150 nan 0.000 0.443 796 V N -0.409 119.384 119.914 -0.203 0.000 2.307 796 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 796 V C 2.472 178.383 176.094 -0.305 0.000 1.045 796 V CA 1.836 64.002 62.300 -0.223 0.000 1.024 796 V CB -0.745 30.880 31.823 -0.330 0.000 0.651 796 V HN 0.569 nan 8.190 nan 0.000 0.449 797 L N 0.954 121.895 121.223 -0.472 0.000 2.012 797 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 797 L C 2.192 178.940 176.870 -0.203 0.000 1.073 797 L CA 2.042 56.639 54.840 -0.405 0.000 0.748 797 L CB -0.975 40.797 42.059 -0.477 0.000 0.891 797 L HN 0.319 nan 8.230 nan 0.000 0.431 798 N N 0.055 118.665 118.700 -0.150 0.000 2.166 798 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 798 N C 1.819 177.293 175.510 -0.060 0.000 1.019 798 N CA 1.552 54.554 53.050 -0.080 0.000 0.856 798 N CB -0.574 37.884 38.487 -0.050 0.000 0.993 798 N HN 0.536 nan 8.380 nan 0.000 0.426 799 A N 1.010 123.793 122.820 -0.061 0.000 1.873 799 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 799 A C 2.316 179.885 177.584 -0.026 0.000 1.186 799 A CA 0.904 52.924 52.037 -0.028 0.000 0.616 799 A CB -0.781 18.215 19.000 -0.008 0.000 0.823 799 A HN 0.221 nan 8.150 nan 0.000 0.442 800 L N -0.122 121.072 121.223 -0.047 0.000 2.083 800 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 800 L C 1.432 178.283 176.870 -0.030 0.000 1.083 800 L CA 0.985 55.807 54.840 -0.030 0.000 0.752 800 L CB -0.539 41.482 42.059 -0.063 0.000 0.899 800 L HN 0.351 nan 8.230 nan 0.000 0.433 801 N N 0.098 118.771 118.700 -0.046 0.000 2.434 801 N HA 0.015 4.755 4.740 -0.000 0.000 0.196 801 N C 1.328 176.824 175.510 -0.022 0.000 1.183 801 N CA 0.990 54.020 53.050 -0.034 0.000 0.849 801 N CB 0.752 39.214 38.487 -0.041 0.000 0.992 801 N HN 0.467 nan 8.380 nan 0.000 0.460 802 G N -0.698 108.091 108.800 -0.018 0.000 2.194 802 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.236 802 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.236 802 G C 0.553 175.447 174.900 -0.011 0.000 0.987 802 G CA 0.157 45.250 45.100 -0.012 0.000 0.635 802 G HN 0.779 nan 8.290 nan 0.000 0.520 803 G N -1.157 107.634 108.800 -0.014 0.000 2.660 803 G HA2 0.265 4.225 3.960 -0.000 0.000 0.215 803 G HA3 0.265 4.225 3.960 -0.000 0.000 0.215 803 G C -0.077 174.818 174.900 -0.009 0.000 1.345 803 G CA 0.277 45.371 45.100 -0.010 0.000 0.877 803 G HN 1.665 nan 8.290 nan 0.000 0.549 804 S N -0.484 115.213 115.700 -0.005 0.000 2.593 804 S HA 0.627 5.097 4.470 -0.000 0.000 0.297 804 S C 1.637 176.235 174.600 -0.002 0.000 1.112 804 S CA 0.417 58.614 58.200 -0.005 0.000 1.043 804 S CB 1.677 64.875 63.200 -0.003 0.000 1.054 804 S HN 1.848 nan 8.310 nan 0.000 0.516 805 S N 1.324 117.022 115.700 -0.003 0.000 2.370 805 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 805 S C 0.919 175.519 174.600 0.000 0.000 1.033 805 S CA 1.300 59.499 58.200 -0.002 0.000 1.011 805 S CB -0.799 62.399 63.200 -0.003 0.000 0.852 805 S HN 0.882 nan 8.310 nan 0.000 0.457 806 T N 0.106 114.661 114.554 0.002 0.000 2.812 806 T HA 0.675 5.025 4.350 -0.000 0.000 0.282 806 T C -3.262 171.442 174.700 0.008 0.000 0.990 806 T CA -2.186 59.916 62.100 0.005 0.000 0.960 806 T CB 1.377 70.249 68.868 0.005 0.000 0.948 806 T HN -0.061 nan 8.240 nan 0.000 0.438 807 P HA 0.258 nan 4.420 nan 0.000 0.265 807 P C -2.310 175.004 177.300 0.022 0.000 1.187 807 P CA -0.684 62.426 63.100 0.017 0.000 0.766 807 P CB -0.503 31.208 31.700 0.018 0.000 0.820 808 P HA 0.072 nan 4.420 nan 0.000 0.265 808 P C -2.257 175.068 177.300 0.042 0.000 1.187 808 P CA -0.599 62.523 63.100 0.037 0.000 0.766 808 P CB -0.768 30.969 31.700 0.062 0.000 0.820 809 P HA -0.002 nan 4.420 nan 0.000 0.257 809 P C -0.087 177.244 177.300 0.051 0.000 1.227 809 P CA 0.299 63.423 63.100 0.041 0.000 0.981 809 P CB -0.119 31.605 31.700 0.041 0.000 1.044 810 S N 4.246 119.972 115.700 0.043 0.000 2.589 810 S HA 0.343 4.813 4.470 -0.000 0.000 0.306 810 S C 0.833 175.456 174.600 0.039 0.000 1.221 810 S CA 0.708 58.933 58.200 0.042 0.000 1.159 810 S CB -1.378 61.841 63.200 0.032 0.000 0.990 810 S HN 0.832 nan 8.310 nan 0.000 0.514 811 G N 3.757 112.586 108.800 0.048 0.000 2.801 811 G HA2 0.300 4.260 3.960 -0.000 0.000 0.686 811 G HA3 0.300 4.260 3.960 -0.000 0.000 0.686 811 G C 0.689 175.611 174.900 0.036 0.000 1.507 811 G CA -0.360 44.764 45.100 0.039 0.000 0.980 811 G HN 2.104 nan 8.290 nan 0.000 0.589 812 G N -0.025 108.791 108.800 0.027 0.000 2.606 812 G HA2 0.442 4.402 3.960 -0.000 0.000 0.285 812 G HA3 0.442 4.402 3.960 -0.000 0.000 0.285 812 G C 1.539 176.465 174.900 0.044 0.000 1.311 812 G CA 1.330 46.438 45.100 0.013 0.000 0.922 812 G HN 3.305 nan 8.290 nan 0.000 0.559 813 G N -2.178 106.644 108.800 0.036 0.000 2.885 813 G HA2 0.436 4.396 3.960 -0.000 0.000 0.685 813 G HA3 0.436 4.396 3.960 -0.000 0.000 0.685 813 G C -0.531 174.433 174.900 0.107 0.000 1.216 813 G CA 0.503 45.639 45.100 0.061 0.000 0.790 813 G HN 1.039 nan 8.290 nan 0.000 0.631 814 Q N -0.257 119.601 119.800 0.098 0.000 2.260 814 Q HA 0.691 5.031 4.340 -0.000 0.000 0.238 814 Q C 0.281 176.350 176.000 0.115 0.000 0.948 814 Q CA -0.467 55.423 55.803 0.145 0.000 0.895 814 Q CB 1.856 30.659 28.738 0.109 0.000 1.218 814 Q HN 0.537 nan 8.270 nan 0.000 0.470 815 I N 1.938 122.568 120.570 0.101 0.000 2.502 815 I HA 0.245 4.415 4.170 -0.000 0.000 0.276 815 I C -0.475 175.744 176.117 0.170 0.000 1.057 815 I CA -0.412 60.897 61.300 0.016 0.000 1.163 815 I CB 0.941 38.754 38.000 -0.312 0.000 1.288 815 I HN 0.355 nan 8.210 nan 0.000 0.479 816 K N 4.809 125.333 120.400 0.206 0.000 2.201 816 K HA 0.534 4.854 4.320 -0.000 0.000 0.278 816 K C 0.244 176.974 176.600 0.218 0.000 1.027 816 K CA -0.419 55.995 56.287 0.212 0.000 0.909 816 K CB 1.424 33.988 32.500 0.107 0.000 1.062 816 K HN 0.642 nan 8.250 nan 0.000 0.465 817 G N 2.684 111.547 108.800 0.104 0.000 2.355 817 G HA2 0.175 4.135 3.960 -0.000 0.000 0.276 817 G HA3 0.175 4.135 3.960 -0.000 0.000 0.276 817 G C 1.059 175.793 174.900 -0.276 0.000 1.198 817 G CA -0.477 44.371 45.100 -0.421 0.000 0.876 817 G HN 0.616 nan 8.290 nan 0.000 0.478 818 V N 1.950 121.683 119.914 -0.302 0.000 2.392 818 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 818 V C 2.424 178.411 176.094 -0.178 0.000 1.059 818 V CA 2.212 64.400 62.300 -0.187 0.000 1.051 818 V CB -1.001 30.721 31.823 -0.169 0.000 0.658 818 V HN 0.636 nan 8.190 nan 0.000 0.455 819 G N -0.000 108.656 108.800 -0.240 0.000 2.559 819 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.216 819 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.216 819 G C 1.542 176.355 174.900 -0.145 0.000 1.126 819 G CA 1.237 46.226 45.100 -0.184 0.000 0.778 819 G HN 0.894 nan 8.290 nan 0.000 0.543 820 S N -2.652 112.960 115.700 -0.147 0.000 2.663 820 S HA 0.392 4.862 4.470 -0.000 0.000 0.247 820 S C 1.842 176.403 174.600 -0.065 0.000 1.074 820 S CA 1.020 59.164 58.200 -0.094 0.000 0.955 820 S CB 0.346 63.498 63.200 -0.081 0.000 0.901 820 S HN 1.400 nan 8.310 nan 0.000 0.505 821 G N 1.426 110.189 108.800 -0.063 0.000 2.205 821 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.261 821 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.261 821 G C 0.155 175.057 174.900 0.003 0.000 0.980 821 G CA 0.303 45.385 45.100 -0.031 0.000 0.632 821 G HN 0.621 nan 8.290 nan 0.000 0.533 822 R N -0.497 120.012 120.500 0.015 0.000 2.549 822 R HA 0.744 5.084 4.340 -0.000 0.000 0.267 822 R C 0.381 176.763 176.300 0.137 0.000 1.045 822 R CA -0.245 55.893 56.100 0.062 0.000 1.115 822 R CB 0.685 31.015 30.300 0.050 0.000 1.121 822 R HN 0.261 nan 8.270 nan 0.000 0.543 823 c N 1.286 119.994 118.600 0.180 0.000 2.365 823 c HA 0.408 4.978 4.570 -0.000 0.000 0.349 823 c C -0.276 173.955 174.090 0.235 0.000 1.191 823 c CA -0.853 55.603 56.329 0.213 0.000 2.114 823 c CB 0.844 43.474 42.510 0.200 0.000 2.367 823 c HN 0.619 nan 8.230 nan 0.000 0.530 824 L N 3.826 125.149 121.223 0.168 0.000 2.534 824 L HA 0.203 4.543 4.340 -0.000 0.000 0.271 824 L C 0.098 177.153 176.870 0.308 0.000 1.178 824 L CA 1.336 56.217 54.840 0.068 0.000 0.907 824 L CB -0.246 41.567 42.059 -0.411 0.000 1.164 824 L HN 0.688 nan 8.230 nan 0.000 0.482 825 D N 3.814 124.381 120.400 0.279 0.000 2.780 825 D HA 0.245 4.885 4.640 -0.000 0.000 0.242 825 D C -1.351 175.086 176.300 0.228 0.000 1.135 825 D CA -0.474 53.694 54.000 0.279 0.000 0.859 825 D CB 2.309 43.269 40.800 0.266 0.000 1.530 825 D HN 0.234 nan 8.370 nan 0.000 0.493 826 V N 4.457 124.479 119.914 0.180 0.000 2.389 826 V HA 0.240 4.360 4.120 -0.000 0.000 0.264 826 V C -2.025 174.131 176.094 0.103 0.000 1.049 826 V CA -1.469 60.928 62.300 0.161 0.000 0.932 826 V CB 0.851 32.764 31.823 0.151 0.000 1.011 826 V HN 0.483 nan 8.190 nan 0.000 0.475 827 P HA -0.082 nan 4.420 nan 0.000 0.252 827 P C 0.371 177.677 177.300 0.011 0.000 1.147 827 P CA 0.809 63.925 63.100 0.025 0.000 0.779 827 P CB -0.147 31.581 31.700 0.047 0.000 0.733 828 N N 3.286 121.960 118.700 -0.044 0.000 2.721 828 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 828 N C 0.497 176.010 175.510 0.004 0.000 1.072 828 N CA 1.219 54.247 53.050 -0.035 0.000 0.710 828 N CB -1.709 36.762 38.487 -0.027 0.000 0.993 828 N HN 0.623 nan 8.380 nan 0.000 0.547 829 A N -1.952 120.897 122.820 0.048 0.000 2.771 829 A HA -0.279 4.041 4.320 -0.000 0.000 0.294 829 A C 0.915 178.515 177.584 0.027 0.000 1.500 829 A CA 1.394 53.496 52.037 0.109 0.000 0.829 829 A CB -1.749 17.292 19.000 0.069 0.000 0.998 829 A HN 0.960 nan 8.150 nan 0.000 0.526 830 S N -0.586 115.136 115.700 0.037 0.000 2.572 830 S HA 0.456 4.926 4.470 -0.000 0.000 0.279 830 S C 1.385 175.933 174.600 -0.087 0.000 1.341 830 S CA 0.807 58.990 58.200 -0.028 0.000 1.043 830 S CB 0.590 63.802 63.200 0.019 0.000 0.887 830 S HN 1.546 nan 8.310 nan 0.000 0.516 831 T N 0.438 114.879 114.554 -0.188 0.000 3.132 831 T HA 0.254 4.604 4.350 -0.000 0.000 0.274 831 T C 0.165 174.820 174.700 -0.074 0.000 1.011 831 T CA -0.416 61.536 62.100 -0.247 0.000 0.899 831 T CB -0.253 68.358 68.868 -0.429 0.000 1.089 831 T HN 0.486 nan 8.240 nan 0.000 0.543 832 T N 3.674 118.216 114.554 -0.020 0.000 2.814 832 T HA 0.218 4.568 4.350 -0.000 0.000 0.297 832 T C -0.141 174.600 174.700 0.068 0.000 0.956 832 T CA -0.388 61.720 62.100 0.013 0.000 1.123 832 T CB 0.547 69.427 68.868 0.019 0.000 0.902 832 T HN 0.309 nan 8.240 nan 0.000 0.528 833 D N 2.072 122.514 120.400 0.070 0.000 2.443 833 D HA 0.302 4.942 4.640 -0.000 0.000 0.239 833 D C 1.404 177.823 176.300 0.197 0.000 1.136 833 D CA 1.099 55.192 54.000 0.154 0.000 0.879 833 D CB 0.852 41.722 40.800 0.118 0.000 1.195 833 D HN 0.899 nan 8.370 nan 0.000 0.443 834 G N 1.805 110.752 108.800 0.244 0.000 2.176 834 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.232 834 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.232 834 G C 0.473 175.457 174.900 0.141 0.000 0.986 834 G CA 0.092 45.301 45.100 0.182 0.000 0.643 834 G HN 0.546 nan 8.290 nan 0.000 0.522 835 T N 1.662 116.304 114.554 0.146 0.000 2.752 835 T HA 0.422 4.772 4.350 -0.000 0.000 0.295 835 T C 0.442 175.224 174.700 0.136 0.000 0.923 835 T CA 0.334 62.509 62.100 0.125 0.000 1.112 835 T CB 1.383 70.325 68.868 0.123 0.000 0.884 835 T HN 0.549 nan 8.240 nan 0.000 0.525 836 Q N 3.595 123.462 119.800 0.111 0.000 2.332 836 Q HA 0.332 4.672 4.340 -0.000 0.000 0.263 836 Q C 0.262 176.326 176.000 0.107 0.000 0.979 836 Q CA -0.724 55.142 55.803 0.104 0.000 0.885 836 Q CB 0.596 29.385 28.738 0.085 0.000 1.218 836 Q HN 0.636 nan 8.270 nan 0.000 0.405 837 V N 1.635 121.610 119.914 0.102 0.000 3.264 837 V HA 0.430 4.550 4.120 -0.000 0.000 0.304 837 V C -0.366 175.780 176.094 0.088 0.000 1.086 837 V CA -0.240 62.124 62.300 0.107 0.000 1.090 837 V CB 1.117 32.984 31.823 0.074 0.000 1.112 837 V HN 1.036 nan 8.190 nan 0.000 0.472 838 Q N 1.242 121.109 119.800 0.111 0.000 2.814 838 Q HA 0.712 5.052 4.340 -0.000 0.000 0.322 838 Q C -1.553 174.547 176.000 0.167 0.000 0.888 838 Q CA -1.145 54.734 55.803 0.127 0.000 0.768 838 Q CB 2.063 30.882 28.738 0.136 0.000 1.443 838 Q HN 0.652 nan 8.270 nan 0.000 0.497 839 L N 0.778 122.114 121.223 0.188 0.000 2.322 839 L HA 0.715 5.055 4.340 -0.000 0.000 0.279 839 L C -1.248 175.790 176.870 0.280 0.000 1.036 839 L CA -0.880 54.088 54.840 0.212 0.000 0.807 839 L CB 1.082 43.236 42.059 0.158 0.000 1.226 839 L HN 0.643 nan 8.230 nan 0.000 0.433 840 Y N 0.437 120.804 120.300 0.113 0.000 2.604 840 Y HA 0.169 4.719 4.550 0.000 0.000 0.331 840 Y C -0.853 175.111 175.900 0.106 0.000 1.158 840 Y CA -1.152 57.006 58.100 0.096 0.000 1.056 840 Y CB 1.667 40.194 38.460 0.111 0.000 1.330 840 Y HN 0.559 nan 8.280 nan 0.000 0.457 841 D N 3.201 123.413 120.400 -0.312 0.000 2.570 841 D HA -0.002 4.638 4.640 -0.000 0.000 0.243 841 D C 0.022 176.445 176.300 0.205 0.000 1.171 841 D CA 0.779 54.717 54.000 -0.104 0.000 0.879 841 D CB 0.238 40.880 40.800 -0.264 0.000 1.143 841 D HN 0.482 nan 8.370 nan 0.000 0.511 842 c N 4.707 123.424 118.600 0.195 0.000 2.597 842 c HA 0.134 4.704 4.570 -0.000 0.000 0.412 842 c C 0.724 175.011 174.090 0.328 0.000 1.348 842 c CA 0.003 56.484 56.329 0.254 0.000 1.769 842 c CB -0.933 41.664 42.510 0.144 0.000 2.641 842 c HN 0.745 nan 8.230 nan 0.000 0.612 843 H N -0.650 118.480 119.070 0.099 0.000 3.060 843 H HA 0.222 4.778 4.556 -0.000 0.000 0.330 843 H C -0.919 174.444 175.328 0.058 0.000 1.305 843 H CA -0.541 55.554 56.048 0.078 0.000 1.209 843 H CB 0.666 30.487 29.762 0.098 0.000 1.913 843 H HN 0.458 nan 8.280 nan 0.000 0.534 844 S N 1.124 116.813 115.700 -0.017 0.000 2.671 844 S HA 0.486 4.956 4.470 -0.000 0.000 0.331 844 S C -0.268 174.228 174.600 -0.174 0.000 1.182 844 S CA 0.261 58.411 58.200 -0.083 0.000 1.276 844 S CB -1.967 61.231 63.200 -0.003 0.000 1.360 844 S HN 0.893 nan 8.310 nan 0.000 0.563 845 A N 3.601 126.231 122.820 -0.316 0.000 2.540 845 A HA 0.532 4.852 4.320 -0.000 0.000 0.297 845 A C 0.931 178.381 177.584 -0.224 0.000 1.056 845 A CA -0.242 51.631 52.037 -0.274 0.000 0.700 845 A CB 0.495 19.228 19.000 -0.445 0.000 1.280 845 A HN 0.775 nan 8.150 nan 0.000 0.398 846 T N -0.296 114.180 114.554 -0.130 0.000 2.869 846 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 846 T C 1.029 175.537 174.700 -0.319 0.000 1.082 846 T CA 1.722 63.729 62.100 -0.156 0.000 1.123 846 T CB -0.591 68.270 68.868 -0.012 0.000 0.856 846 T HN 0.830 nan 8.240 nan 0.000 0.499 847 N N 0.850 119.427 118.700 -0.204 0.000 2.485 847 N HA -0.013 4.727 4.740 -0.000 0.000 0.199 847 N C 1.056 176.366 175.510 -0.333 0.000 1.236 847 N CA 0.162 53.034 53.050 -0.297 0.000 0.852 847 N CB -0.039 38.465 38.487 0.028 0.000 1.018 847 N HN 0.596 nan 8.380 nan 0.000 0.457 848 Q N -0.826 118.761 119.800 -0.354 0.000 2.040 848 Q HA 0.162 4.502 4.340 -0.000 0.000 0.212 848 Q C -0.682 175.202 176.000 -0.192 0.000 0.766 848 Q CA -0.208 55.505 55.803 -0.150 0.000 0.967 848 Q CB 0.805 29.513 28.738 -0.049 0.000 1.202 848 Q HN 0.239 nan 8.270 nan 0.000 0.446 849 Q N 0.233 119.780 119.800 -0.422 0.000 2.390 849 Q HA 0.180 4.520 4.340 -0.000 0.000 0.249 849 Q C -1.247 174.489 176.000 -0.440 0.000 0.996 849 Q CA 0.264 55.899 55.803 -0.281 0.000 0.899 849 Q CB 0.329 28.936 28.738 -0.217 0.000 1.216 849 Q HN 0.103 nan 8.270 nan 0.000 0.465 850 W N 1.166 122.396 121.300 -0.117 0.000 2.551 850 W HA 0.419 5.079 4.660 -0.000 0.000 0.330 850 W C 0.116 176.606 176.519 -0.048 0.000 1.063 850 W CA -0.545 56.734 57.345 -0.109 0.000 1.222 850 W CB 1.472 30.849 29.460 -0.138 0.000 1.349 850 W HN 0.156 nan 8.180 nan 0.000 0.536 851 T N 2.667 117.338 114.554 0.195 0.000 2.786 851 T HA 0.162 4.512 4.350 -0.000 0.000 0.283 851 T C -1.518 173.310 174.700 0.214 0.000 0.992 851 T CA -0.484 61.708 62.100 0.153 0.000 0.954 851 T CB 0.353 69.265 68.868 0.074 0.000 0.934 851 T HN 0.167 nan 8.240 nan 0.000 0.440 852 Y N 4.529 124.868 120.300 0.065 0.000 2.452 852 Y HA 0.380 4.930 4.550 -0.000 0.000 0.348 852 Y C 1.006 176.939 175.900 0.055 0.000 0.985 852 Y CA -0.980 57.155 58.100 0.058 0.000 1.214 852 Y CB 0.059 38.540 38.460 0.035 0.000 1.136 852 Y HN 0.717 nan 8.280 nan 0.000 0.523 853 T N 0.834 115.237 114.554 -0.252 0.000 2.874 853 T HA 0.130 4.480 4.350 -0.000 0.000 0.281 853 T C 0.882 175.365 174.700 -0.360 0.000 0.994 853 T CA -0.640 61.330 62.100 -0.217 0.000 1.015 853 T CB 0.932 69.731 68.868 -0.115 0.000 1.028 853 T HN 0.587 nan 8.240 nan 0.000 0.523 854 D N 0.634 120.926 120.400 -0.180 0.000 2.309 854 D HA -0.003 4.637 4.640 -0.000 0.000 0.212 854 D C 1.996 178.212 176.300 -0.139 0.000 0.968 854 D CA 1.097 55.016 54.000 -0.136 0.000 0.882 854 D CB -0.258 40.514 40.800 -0.047 0.000 0.918 854 D HN 0.752 nan 8.370 nan 0.000 0.503 855 A N -0.404 122.326 122.820 -0.149 0.000 2.178 855 A HA 0.372 4.692 4.320 -0.000 0.000 0.211 855 A C 1.725 179.213 177.584 -0.159 0.000 1.157 855 A CA 1.106 53.075 52.037 -0.114 0.000 0.780 855 A CB 0.137 19.088 19.000 -0.082 0.000 0.828 855 A HN 0.230 nan 8.150 nan 0.000 0.476 856 G N -0.515 108.098 108.800 -0.310 0.000 2.134 856 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.209 856 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.209 856 G C -0.230 174.636 174.900 -0.056 0.000 0.993 856 G CA 0.172 45.088 45.100 -0.307 0.000 0.669 856 G HN 0.604 nan 8.290 nan 0.000 0.519 857 E N -0.634 119.525 120.200 -0.069 0.000 2.283 857 E HA 0.676 5.026 4.350 -0.000 0.000 0.267 857 E C 0.099 176.847 176.600 0.247 0.000 1.045 857 E CA -0.631 55.864 56.400 0.160 0.000 0.884 857 E CB 1.390 31.142 29.700 0.086 0.000 1.106 857 E HN 0.197 nan 8.360 nan 0.000 0.408 858 L N 2.685 124.103 121.223 0.325 0.000 2.356 858 L HA 0.361 4.701 4.340 -0.000 0.000 0.264 858 L C -0.116 176.980 176.870 0.376 0.000 1.029 858 L CA -0.339 54.663 54.840 0.270 0.000 0.897 858 L CB 0.531 42.540 42.059 -0.084 0.000 1.256 858 L HN 0.291 nan 8.230 nan 0.000 0.444 859 R N 1.732 122.403 120.500 0.284 0.000 2.500 859 R HA 0.699 5.039 4.340 -0.000 0.000 0.277 859 R C -0.888 175.398 176.300 -0.024 0.000 1.026 859 R CA -0.622 55.576 56.100 0.164 0.000 1.058 859 R CB 2.640 32.989 30.300 0.081 0.000 1.078 859 R HN 0.251 nan 8.270 nan 0.000 0.509 860 V N 3.178 122.933 119.914 -0.265 0.000 2.932 860 V HA 0.211 4.331 4.120 -0.000 0.000 0.307 860 V C -1.124 174.696 176.094 -0.457 0.000 1.147 860 V CA -0.365 61.480 62.300 -0.757 0.000 0.951 860 V CB 1.322 32.175 31.823 -1.616 0.000 1.031 860 V HN 0.925 nan 8.190 nan 0.000 0.426 861 Y N 3.956 124.109 120.300 -0.245 0.000 4.929 861 Y HA -0.228 4.322 4.550 0.000 0.000 0.253 861 Y C 1.725 177.568 175.900 -0.096 0.000 0.946 861 Y CA 1.686 59.694 58.100 -0.153 0.000 1.905 861 Y CB -1.934 36.446 38.460 -0.133 0.000 1.400 861 Y HN 1.826 nan 8.280 nan 0.000 0.531 862 G N -0.855 107.958 108.800 0.022 0.000 2.317 862 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.227 862 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.227 862 G C 0.489 175.414 174.900 0.040 0.000 1.042 862 G CA 0.641 45.755 45.100 0.024 0.000 0.623 862 G HN 0.491 nan 8.290 nan 0.000 0.509 863 D N -0.046 120.393 120.400 0.064 0.000 2.563 863 D HA 0.253 4.893 4.640 -0.000 0.000 0.256 863 D C 0.237 176.589 176.300 0.087 0.000 1.400 863 D CA 0.003 54.042 54.000 0.064 0.000 0.800 863 D CB 0.221 41.047 40.800 0.044 0.000 1.145 863 D HN 0.218 nan 8.370 nan 0.000 0.501 864 K N 0.133 120.602 120.400 0.115 0.000 2.164 864 K HA 0.530 4.850 4.320 -0.000 0.000 0.258 864 K C -0.653 176.050 176.600 0.172 0.000 0.951 864 K CA -0.512 55.867 56.287 0.153 0.000 0.844 864 K CB 1.806 34.444 32.500 0.230 0.000 1.099 864 K HN -0.023 nan 8.250 nan 0.000 0.435 865 c N 2.090 120.836 118.600 0.243 0.000 2.507 865 c HA 0.343 4.913 4.570 -0.000 0.000 0.319 865 c C -0.208 174.105 174.090 0.371 0.000 1.208 865 c CA -0.991 55.517 56.329 0.298 0.000 1.619 865 c CB 1.081 43.751 42.510 0.266 0.000 2.230 865 c HN 0.745 nan 8.230 nan 0.000 0.492 866 L N 4.249 125.706 121.223 0.390 0.000 2.534 866 L HA 0.242 4.582 4.340 -0.000 0.000 0.271 866 L C 0.075 177.234 176.870 0.482 0.000 1.178 866 L CA 1.442 56.444 54.840 0.269 0.000 0.907 866 L CB -0.134 41.789 42.059 -0.228 0.000 1.164 866 L HN 0.675 nan 8.230 nan 0.000 0.482 867 D N 4.130 124.775 120.400 0.409 0.000 2.738 867 D HA 0.642 5.281 4.640 -0.000 0.000 0.237 867 D C -1.632 174.863 176.300 0.325 0.000 1.123 867 D CA -0.451 53.782 54.000 0.389 0.000 0.856 867 D CB 2.248 43.254 40.800 0.343 0.000 1.552 867 D HN 0.661 nan 8.370 nan 0.000 0.480 868 A N 1.809 124.774 122.820 0.242 0.000 2.319 868 A HA 0.631 4.951 4.320 -0.000 0.000 0.310 868 A C 0.308 177.936 177.584 0.073 0.000 1.152 868 A CA -0.237 51.900 52.037 0.168 0.000 0.783 868 A CB 1.452 20.545 19.000 0.156 0.000 1.184 868 A HN 0.525 nan 8.150 nan 0.000 0.474 869 A N 2.011 124.865 122.820 0.057 0.000 2.251 869 A HA 0.538 4.858 4.320 -0.000 0.000 0.209 869 A C 1.002 178.596 177.584 0.018 0.000 1.187 869 A CA 1.014 53.060 52.037 0.015 0.000 0.823 869 A CB -0.290 18.711 19.000 0.002 0.000 0.846 869 A HN 1.641 nan 8.150 nan 0.000 0.486 870 G N -2.565 106.253 108.800 0.029 0.000 2.788 870 G HA2 0.426 4.386 3.960 -0.000 0.000 0.293 870 G HA3 0.426 4.386 3.960 -0.000 0.000 0.293 870 G C 0.251 175.160 174.900 0.014 0.000 1.392 870 G CA 0.579 45.692 45.100 0.021 0.000 0.810 870 G HN 0.408 nan 8.290 nan 0.000 0.508 871 T N -3.107 111.451 114.554 0.007 0.000 3.004 871 T HA 0.420 4.769 4.350 -0.000 0.000 0.266 871 T C 1.076 175.775 174.700 -0.002 0.000 0.986 871 T CA 0.880 62.976 62.100 -0.007 0.000 0.902 871 T CB 0.505 69.361 68.868 -0.020 0.000 1.118 871 T HN 0.991 nan 8.240 nan 0.000 0.522 872 G N 1.379 110.185 108.800 0.010 0.000 2.528 872 G HA2 0.479 4.439 3.960 -0.000 0.000 0.289 872 G HA3 0.479 4.439 3.960 -0.000 0.000 0.289 872 G C -0.353 174.564 174.900 0.029 0.000 1.192 872 G CA -0.777 44.326 45.100 0.006 0.000 0.921 872 G HN 0.255 nan 8.290 nan 0.000 0.512 873 N N -0.393 118.315 118.700 0.013 0.000 2.441 873 N HA 0.246 4.986 4.740 -0.000 0.000 0.251 873 N C 1.334 176.943 175.510 0.165 0.000 1.242 873 N CA 1.441 54.544 53.050 0.088 0.000 0.898 873 N CB 1.175 39.667 38.487 0.009 0.000 1.100 873 N HN 1.074 nan 8.380 nan 0.000 0.443 874 G N 0.510 109.448 108.800 0.231 0.000 2.199 874 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 874 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 874 G C 0.196 175.164 174.900 0.114 0.000 0.982 874 G CA 0.367 45.560 45.100 0.156 0.000 0.632 874 G HN 0.613 nan 8.290 nan 0.000 0.529 875 T N 2.530 117.151 114.554 0.112 0.000 2.871 875 T HA 0.343 4.693 4.350 -0.000 0.000 0.296 875 T C 0.727 175.490 174.700 0.105 0.000 0.998 875 T CA 0.489 62.646 62.100 0.095 0.000 1.162 875 T CB 0.654 69.576 68.868 0.089 0.000 0.947 875 T HN 0.405 nan 8.240 nan 0.000 0.536 876 K N 2.400 122.854 120.400 0.091 0.000 2.350 876 K HA 0.286 4.606 4.320 -0.000 0.000 0.279 876 K C -0.339 176.325 176.600 0.108 0.000 1.027 876 K CA -0.470 55.872 56.287 0.091 0.000 0.969 876 K CB 0.707 33.255 32.500 0.079 0.000 0.954 876 K HN 0.290 nan 8.250 nan 0.000 0.474 877 V N 4.795 124.767 119.914 0.097 0.000 2.406 877 V HA 0.095 4.215 4.120 -0.000 0.000 0.272 877 V C 0.347 176.494 176.094 0.089 0.000 1.043 877 V CA -0.178 62.180 62.300 0.096 0.000 0.915 877 V CB 0.727 32.548 31.823 -0.004 0.000 0.988 877 V HN 0.844 nan 8.190 nan 0.000 0.466 878 Q N 5.965 125.848 119.800 0.139 0.000 3.093 878 Q HA 0.744 5.084 4.340 -0.000 0.000 0.330 878 Q C -0.937 175.200 176.000 0.230 0.000 0.947 878 Q CA -0.997 54.906 55.803 0.167 0.000 0.801 878 Q CB 2.588 31.425 28.738 0.166 0.000 1.470 878 Q HN 0.642 nan 8.270 nan 0.000 0.498 879 I N -2.145 118.583 120.570 0.263 0.000 2.603 879 I HA 0.783 4.953 4.170 -0.000 0.000 0.300 879 I C -1.523 174.813 176.117 0.365 0.000 1.017 879 I CA -1.090 60.398 61.300 0.312 0.000 1.098 879 I CB 1.956 40.132 38.000 0.292 0.000 1.279 879 I HN 0.750 nan 8.210 nan 0.000 0.437 880 Y N 2.196 122.622 120.300 0.209 0.000 2.592 880 Y HA 0.397 4.947 4.550 -0.000 0.000 0.334 880 Y C -0.550 175.478 175.900 0.214 0.000 1.136 880 Y CA -0.701 57.516 58.100 0.196 0.000 1.042 880 Y CB 2.095 40.687 38.460 0.221 0.000 1.325 880 Y HN 0.774 nan 8.280 nan 0.000 0.457 881 S N 2.412 117.893 115.700 -0.365 0.000 2.593 881 S HA 0.029 4.499 4.470 -0.000 0.000 0.300 881 S C -0.380 174.327 174.600 0.179 0.000 1.267 881 S CA -0.052 58.060 58.200 -0.147 0.000 1.065 881 S CB -0.401 62.611 63.200 -0.313 0.000 0.807 881 S HN 0.630 nan 8.310 nan 0.000 0.499 882 c N 5.592 124.306 118.600 0.191 0.000 2.648 882 c HA 0.187 4.756 4.570 -0.000 0.000 0.419 882 c C 1.487 175.764 174.090 0.311 0.000 1.352 882 c CA -0.437 56.029 56.329 0.228 0.000 1.816 882 c CB -1.080 41.511 42.510 0.135 0.000 2.598 882 c HN 1.085 nan 8.230 nan 0.000 0.598 883 W N 1.117 122.484 121.300 0.110 0.000 1.857 883 W HA 0.361 5.021 4.660 0.000 0.000 0.244 883 W C 0.699 177.261 176.519 0.071 0.000 0.859 883 W CA 0.201 57.599 57.345 0.089 0.000 1.112 883 W CB -0.783 28.748 29.460 0.118 0.000 0.967 883 W HN 0.929 nan 8.180 nan 0.000 0.524 884 G N 1.546 110.086 108.800 -0.433 0.000 2.141 884 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.231 884 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.231 884 G C 0.586 174.997 174.900 -0.815 0.000 0.984 884 G CA -0.100 44.721 45.100 -0.466 0.000 0.660 884 G HN 0.666 nan 8.290 nan 0.000 0.525 885 G N -0.455 107.347 108.800 -1.663 0.000 2.594 885 G HA2 0.420 4.380 3.960 -0.000 0.000 0.243 885 G HA3 0.420 4.380 3.960 -0.000 0.000 0.243 885 G C 0.646 175.176 174.900 -0.616 0.000 1.229 885 G CA 0.397 44.673 45.100 -1.374 0.000 0.843 885 G HN 0.082 nan 8.290 nan 0.000 0.578 886 D N 0.154 120.326 120.400 -0.379 0.000 2.310 886 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 886 D C 2.018 178.104 176.300 -0.357 0.000 0.965 886 D CA 0.774 54.593 54.000 -0.302 0.000 0.879 886 D CB 0.144 40.825 40.800 -0.198 0.000 0.921 886 D HN 0.592 nan 8.370 nan 0.000 0.510 887 N N 0.346 118.866 118.700 -0.300 0.000 2.461 887 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 887 N C 0.769 176.085 175.510 -0.323 0.000 1.134 887 N CA 0.283 53.161 53.050 -0.286 0.000 0.878 887 N CB 0.025 38.454 38.487 -0.096 0.000 0.972 887 N HN 0.270 nan 8.380 nan 0.000 0.456 888 Q N -0.232 119.360 119.800 -0.347 0.000 2.159 888 Q HA 0.260 4.600 4.340 -0.000 0.000 0.217 888 Q C -0.529 175.312 176.000 -0.264 0.000 0.818 888 Q CA -0.066 55.645 55.803 -0.154 0.000 1.008 888 Q CB 0.959 29.637 28.738 -0.099 0.000 1.148 888 Q HN 0.261 nan 8.270 nan 0.000 0.491 889 K N 0.410 120.441 120.400 -0.616 0.000 2.259 889 K HA 0.484 4.804 4.320 -0.000 0.000 0.252 889 K C -1.398 174.729 176.600 -0.789 0.000 0.936 889 K CA -0.396 55.611 56.287 -0.466 0.000 0.810 889 K CB 1.359 33.686 32.500 -0.287 0.000 1.143 889 K HN -0.095 nan 8.250 nan 0.000 0.427 890 W N 0.951 122.282 121.300 0.051 0.000 2.962 890 W HA 0.496 5.156 4.660 -0.000 0.000 0.341 890 W C -0.339 176.269 176.519 0.148 0.000 1.155 890 W CA -0.849 56.537 57.345 0.068 0.000 1.165 890 W CB 1.127 30.608 29.460 0.035 0.000 1.435 890 W HN 0.176 nan 8.180 nan 0.000 0.546 891 R N 1.675 122.345 120.500 0.283 0.000 2.494 891 R HA 0.542 4.882 4.340 -0.000 0.000 0.305 891 R C -0.927 175.417 176.300 0.074 0.000 0.959 891 R CA -1.013 55.197 56.100 0.184 0.000 0.864 891 R CB 1.477 31.839 30.300 0.103 0.000 1.159 891 R HN 0.410 nan 8.270 nan 0.000 0.446 892 L N 4.114 125.312 121.223 -0.040 0.000 2.315 892 L HA 0.247 4.587 4.340 -0.000 0.000 0.278 892 L C 0.008 176.852 176.870 -0.044 0.000 1.088 892 L CA -0.652 54.102 54.840 -0.144 0.000 0.899 892 L CB 0.045 41.883 42.059 -0.368 0.000 1.277 892 L HN 0.428 nan 8.230 nan 0.000 0.431 893 N N 0.816 119.517 118.700 0.001 0.000 2.453 893 N HA -0.024 4.716 4.740 -0.000 0.000 0.253 893 N C 1.275 176.787 175.510 0.002 0.000 1.252 893 N CA 0.178 53.238 53.050 0.016 0.000 0.917 893 N CB 1.302 39.810 38.487 0.035 0.000 1.117 893 N HN 0.538 nan 8.380 nan 0.000 0.442 894 S N -0.080 115.620 115.700 0.000 0.000 2.423 894 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 894 S C 0.940 175.539 174.600 -0.002 0.000 1.014 894 S CA 1.053 59.249 58.200 -0.007 0.000 0.965 894 S CB -0.202 62.992 63.200 -0.011 0.000 0.785 894 S HN 0.706 nan 8.310 nan 0.000 0.495 895 D N 0.829 121.231 120.400 0.004 0.000 2.363 895 D HA 0.209 4.849 4.640 -0.000 0.000 0.226 895 D C 1.422 177.725 176.300 0.005 0.000 1.020 895 D CA 0.679 54.681 54.000 0.002 0.000 0.892 895 D CB -0.804 39.999 40.800 0.005 0.000 0.900 895 D HN 0.606 nan 8.370 nan 0.000 0.531 896 G N -0.140 108.671 108.800 0.018 0.000 2.175 896 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 896 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 896 G C 0.377 175.349 174.900 0.120 0.000 0.982 896 G CA 0.374 45.499 45.100 0.042 0.000 0.641 896 G HN 0.841 nan 8.290 nan 0.000 0.527 897 S N -0.220 115.546 115.700 0.110 0.000 2.632 897 S HA 0.766 5.236 4.470 -0.000 0.000 0.271 897 S C 0.055 174.753 174.600 0.163 0.000 1.260 897 S CA -0.668 57.646 58.200 0.190 0.000 1.010 897 S CB 1.964 65.238 63.200 0.123 0.000 0.965 897 S HN 0.589 nan 8.310 nan 0.000 0.534 898 I N 2.139 122.815 120.570 0.178 0.000 2.382 898 I HA 0.352 4.522 4.170 -0.000 0.000 0.286 898 I C -1.024 175.187 176.117 0.158 0.000 1.002 898 I CA -0.899 60.425 61.300 0.040 0.000 1.135 898 I CB 1.741 39.583 38.000 -0.263 0.000 1.288 898 I HN 0.401 nan 8.210 nan 0.000 0.448 899 V N 4.915 124.948 119.914 0.199 0.000 2.483 899 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 899 V C 0.761 177.006 176.094 0.253 0.000 1.035 899 V CA -0.679 61.748 62.300 0.212 0.000 0.896 899 V CB 1.697 33.580 31.823 0.100 0.000 0.986 899 V HN 0.858 nan 8.190 nan 0.000 0.447 900 G N 2.644 111.539 108.800 0.157 0.000 2.364 900 G HA2 0.369 4.329 3.960 -0.000 0.000 0.267 900 G HA3 0.369 4.329 3.960 -0.000 0.000 0.267 900 G C 0.931 175.661 174.900 -0.284 0.000 1.233 900 G CA -0.262 44.629 45.100 -0.348 0.000 0.885 900 G HN 0.554 nan 8.290 nan 0.000 0.490 901 V N 2.188 121.880 119.914 -0.369 0.000 2.255 901 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 901 V C 2.879 178.852 176.094 -0.201 0.000 1.051 901 V CA 2.483 64.641 62.300 -0.236 0.000 1.018 901 V CB -0.677 31.003 31.823 -0.238 0.000 0.641 901 V HN 0.872 nan 8.190 nan 0.000 0.445 902 Q N 0.132 119.783 119.800 -0.249 0.000 2.046 902 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 902 Q C 2.388 178.313 176.000 -0.124 0.000 0.975 902 Q CA 2.304 58.006 55.803 -0.168 0.000 0.836 902 Q CB -0.108 28.526 28.738 -0.174 0.000 0.896 902 Q HN 0.782 nan 8.270 nan 0.000 0.428 903 S N -1.753 113.862 115.700 -0.141 0.000 2.425 903 S HA 0.130 4.600 4.470 -0.000 0.000 0.225 903 S C 1.495 176.058 174.600 -0.061 0.000 1.024 903 S CA 0.742 58.893 58.200 -0.082 0.000 0.951 903 S CB 0.195 63.359 63.200 -0.060 0.000 0.796 903 S HN 0.680 nan 8.310 nan 0.000 0.498 904 G N 1.014 109.773 108.800 -0.068 0.000 2.155 904 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 904 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 904 G C -0.085 174.809 174.900 -0.010 0.000 0.983 904 G CA 0.576 45.651 45.100 -0.042 0.000 0.676 904 G HN 0.559 nan 8.290 nan 0.000 0.528 905 L N -0.328 120.902 121.223 0.012 0.000 2.344 905 L HA 0.576 4.916 4.340 -0.000 0.000 0.272 905 L C 0.890 177.838 176.870 0.131 0.000 1.035 905 L CA -1.191 53.680 54.840 0.051 0.000 0.807 905 L CB 1.615 43.701 42.059 0.046 0.000 1.237 905 L HN 0.164 nan 8.230 nan 0.000 0.442 906 c N 2.012 120.700 118.600 0.147 0.000 2.466 906 c HA 0.364 4.934 4.570 -0.000 0.000 0.379 906 c C 0.581 174.807 174.090 0.227 0.000 1.251 906 c CA -0.793 55.653 56.329 0.194 0.000 2.263 906 c CB 0.570 43.185 42.510 0.176 0.000 2.511 906 c HN 0.524 nan 8.230 nan 0.000 0.573 907 L N 3.522 124.871 121.223 0.210 0.000 2.462 907 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 907 L C 0.301 177.362 176.870 0.318 0.000 1.166 907 L CA 0.950 55.877 54.840 0.144 0.000 0.880 907 L CB 0.026 41.981 42.059 -0.173 0.000 1.142 907 L HN 0.685 nan 8.230 nan 0.000 0.473 908 D N 3.093 123.643 120.400 0.250 0.000 2.787 908 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 908 D C -0.875 175.522 176.300 0.162 0.000 1.150 908 D CA -0.524 53.604 54.000 0.212 0.000 0.864 908 D CB 2.251 43.153 40.800 0.171 0.000 1.481 908 D HN 0.508 nan 8.370 nan 0.000 0.509 909 A N 4.014 126.910 122.820 0.125 0.000 2.437 909 A HA 0.372 4.692 4.320 -0.000 0.000 0.303 909 A C 0.551 178.142 177.584 0.011 0.000 1.324 909 A CA -0.475 51.612 52.037 0.083 0.000 0.983 909 A CB -0.077 18.944 19.000 0.035 0.000 1.142 909 A HN 0.457 nan 8.150 nan 0.000 0.541 910 V N 2.720 122.642 119.914 0.014 0.000 2.814 910 V HA 0.088 4.208 4.120 -0.000 0.000 0.298 910 V C 1.681 177.747 176.094 -0.047 0.000 1.195 910 V CA 1.665 63.949 62.300 -0.026 0.000 1.323 910 V CB -0.759 31.063 31.823 -0.001 0.000 0.842 910 V HN 1.927 nan 8.190 nan 0.000 0.494 911 G N 4.041 112.788 108.800 -0.088 0.000 2.341 911 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.292 911 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.292 911 G C 1.112 175.971 174.900 -0.068 0.000 1.021 911 G CA 0.616 45.668 45.100 -0.080 0.000 0.905 911 G HN 2.540 nan 8.290 nan 0.000 0.508 912 G N -1.424 107.329 108.800 -0.078 0.000 2.244 912 G HA2 0.111 4.071 3.960 -0.000 0.000 0.274 912 G HA3 0.111 4.071 3.960 -0.000 0.000 0.274 912 G C 1.367 176.231 174.900 -0.060 0.000 1.002 912 G CA 1.045 46.101 45.100 -0.074 0.000 0.740 912 G HN 2.181 nan 8.290 nan 0.000 0.516 913 G N -0.924 107.851 108.800 -0.042 0.000 2.391 913 G HA2 0.470 4.430 3.960 -0.000 0.000 0.234 913 G HA3 0.470 4.430 3.960 -0.000 0.000 0.234 913 G C 1.056 175.937 174.900 -0.033 0.000 1.284 913 G CA 1.041 46.125 45.100 -0.027 0.000 0.873 913 G HN 1.289 nan 8.290 nan 0.000 0.549 914 T N -1.425 113.109 114.554 -0.033 0.000 2.986 914 T HA 0.566 4.916 4.350 -0.000 0.000 0.264 914 T C 1.089 175.770 174.700 -0.031 0.000 0.964 914 T CA 0.640 62.715 62.100 -0.041 0.000 0.895 914 T CB 0.282 69.117 68.868 -0.055 0.000 1.163 914 T HN 0.897 nan 8.240 nan 0.000 0.517 915 A N 1.988 124.795 122.820 -0.023 0.000 2.296 915 A HA 0.641 4.961 4.320 -0.000 0.000 0.264 915 A C -0.042 177.537 177.584 -0.009 0.000 1.097 915 A CA -0.673 51.348 52.037 -0.027 0.000 0.811 915 A CB -0.115 18.873 19.000 -0.019 0.000 1.072 915 A HN 0.448 nan 8.150 nan 0.000 0.495 916 N N -0.308 118.370 118.700 -0.037 0.000 2.492 916 N HA 0.423 5.163 4.740 -0.000 0.000 0.262 916 N C 0.951 176.533 175.510 0.119 0.000 1.202 916 N CA 1.466 54.523 53.050 0.011 0.000 0.926 916 N CB 0.832 39.211 38.487 -0.181 0.000 1.078 916 N HN 1.182 nan 8.380 nan 0.000 0.454 917 G N 0.381 109.300 108.800 0.197 0.000 2.213 917 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 917 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 917 G C 0.086 175.049 174.900 0.105 0.000 0.992 917 G CA -0.024 45.166 45.100 0.151 0.000 0.632 917 G HN 0.610 nan 8.290 nan 0.000 0.511 918 T N 2.956 117.566 114.554 0.093 0.000 2.793 918 T HA 0.441 4.791 4.350 -0.000 0.000 0.289 918 T C 1.092 175.844 174.700 0.086 0.000 0.956 918 T CA 0.190 62.332 62.100 0.071 0.000 1.177 918 T CB 0.657 69.558 68.868 0.055 0.000 0.897 918 T HN 0.378 nan 8.240 nan 0.000 0.533 919 L N 3.696 124.961 121.223 0.071 0.000 2.472 919 L HA 0.381 4.721 4.340 -0.000 0.000 0.260 919 L C 0.399 177.314 176.870 0.075 0.000 1.209 919 L CA -0.833 54.050 54.840 0.073 0.000 0.817 919 L CB 0.272 42.367 42.059 0.061 0.000 1.106 919 L HN 0.393 nan 8.230 nan 0.000 0.479 920 I N 1.253 121.864 120.570 0.068 0.000 2.441 920 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 920 I C -0.046 176.108 176.117 0.061 0.000 0.994 920 I CA -0.271 61.066 61.300 0.063 0.000 1.144 920 I CB 1.470 39.467 38.000 -0.006 0.000 1.314 920 I HN 0.742 nan 8.210 nan 0.000 0.445 921 Q N 5.542 125.393 119.800 0.084 0.000 2.687 921 Q HA 0.724 5.064 4.340 -0.000 0.000 0.305 921 Q C -1.895 174.195 176.000 0.150 0.000 1.006 921 Q CA -0.985 54.883 55.803 0.108 0.000 0.763 921 Q CB 2.458 31.258 28.738 0.103 0.000 1.506 921 Q HN 0.468 nan 8.270 nan 0.000 0.459 922 L N 1.083 122.413 121.223 0.179 0.000 2.322 922 L HA 0.684 5.024 4.340 -0.000 0.000 0.279 922 L C -1.259 175.776 176.870 0.274 0.000 1.036 922 L CA -0.873 54.092 54.840 0.207 0.000 0.807 922 L CB 1.203 43.366 42.059 0.173 0.000 1.226 922 L HN 0.690 nan 8.230 nan 0.000 0.433 923 Y N 0.010 120.359 120.300 0.081 0.000 2.620 923 Y HA 0.157 4.707 4.550 -0.000 0.000 0.331 923 Y C -0.216 175.717 175.900 0.055 0.000 1.173 923 Y CA -0.860 57.276 58.100 0.059 0.000 1.076 923 Y CB 1.707 40.200 38.460 0.054 0.000 1.336 923 Y HN 0.537 nan 8.280 nan 0.000 0.459 924 S N 2.473 117.904 115.700 -0.448 0.000 2.626 924 S HA 0.020 4.490 4.470 -0.000 0.000 0.303 924 S C -0.190 174.425 174.600 0.025 0.000 1.256 924 S CA -0.020 58.050 58.200 -0.216 0.000 1.069 924 S CB -0.490 62.514 63.200 -0.327 0.000 0.807 924 S HN 0.625 nan 8.310 nan 0.000 0.500 925 c N 3.470 122.094 118.600 0.039 0.000 2.665 925 c HA 0.297 4.867 4.570 -0.000 0.000 0.416 925 c C 1.745 175.876 174.090 0.068 0.000 1.305 925 c CA -0.034 56.340 56.329 0.075 0.000 1.903 925 c CB -0.217 42.326 42.510 0.054 0.000 2.704 925 c HN 1.034 nan 8.230 nan 0.000 0.629 926 S N 0.169 115.913 115.700 0.072 0.000 2.904 926 S HA 0.113 4.583 4.470 -0.000 0.000 0.260 926 S C 0.387 175.002 174.600 0.025 0.000 1.000 926 S CA -0.025 58.208 58.200 0.055 0.000 1.274 926 S CB -0.344 62.907 63.200 0.084 0.000 1.196 926 S HN 0.852 nan 8.310 nan 0.000 0.678 927 N N 1.086 119.796 118.700 0.017 0.000 2.900 927 N HA -0.122 4.618 4.740 -0.000 0.000 0.240 927 N C 0.619 176.111 175.510 -0.030 0.000 0.953 927 N CA 1.045 54.091 53.050 -0.007 0.000 0.950 927 N CB -1.623 36.860 38.487 -0.007 0.000 1.102 927 N HN 0.805 nan 8.380 nan 0.000 0.593 928 G N 0.359 109.142 108.800 -0.027 0.000 2.630 928 G HA2 0.208 4.168 3.960 -0.000 0.000 0.236 928 G HA3 0.208 4.168 3.960 -0.000 0.000 0.236 928 G C 1.055 175.889 174.900 -0.110 0.000 1.248 928 G CA 0.510 45.577 45.100 -0.056 0.000 0.844 928 G HN 0.329 nan 8.290 nan 0.000 0.588 929 S N 0.094 115.717 115.700 -0.128 0.000 2.481 929 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 929 S C 1.638 176.068 174.600 -0.284 0.000 0.996 929 S CA 0.962 59.052 58.200 -0.183 0.000 0.942 929 S CB -0.178 62.935 63.200 -0.145 0.000 0.768 929 S HN 0.749 nan 8.310 nan 0.000 0.520 930 N N 0.882 119.436 118.700 -0.244 0.000 2.370 930 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 930 N C 0.821 176.120 175.510 -0.350 0.000 1.156 930 N CA 0.047 52.916 53.050 -0.302 0.000 0.839 930 N CB -0.162 38.225 38.487 -0.166 0.000 0.989 930 N HN 0.577 nan 8.380 nan 0.000 0.468 931 Q N -0.593 119.005 119.800 -0.338 0.000 2.140 931 Q HA 0.261 4.601 4.340 -0.000 0.000 0.227 931 Q C -0.507 175.294 176.000 -0.333 0.000 0.798 931 Q CA -0.348 55.350 55.803 -0.174 0.000 0.987 931 Q CB 0.977 29.725 28.738 0.016 0.000 1.161 931 Q HN 0.058 nan 8.270 nan 0.000 0.480 932 R N -0.230 119.892 120.500 -0.631 0.000 2.474 932 R HA 0.437 4.777 4.340 -0.000 0.000 0.295 932 R C -1.551 174.242 176.300 -0.844 0.000 0.980 932 R CA 0.130 55.941 56.100 -0.482 0.000 0.934 932 R CB 0.685 30.826 30.300 -0.266 0.000 1.101 932 R HN -0.038 nan 8.270 nan 0.000 0.469 933 W N 0.094 121.348 121.300 -0.077 0.000 3.032 933 W HA 0.496 5.156 4.660 -0.000 0.000 0.335 933 W C -0.623 175.848 176.519 -0.080 0.000 1.154 933 W CA -0.636 56.655 57.345 -0.090 0.000 1.204 933 W CB 1.607 30.987 29.460 -0.133 0.000 1.416 933 W HN 0.256 nan 8.180 nan 0.000 0.521 934 T N 2.632 117.274 114.554 0.146 0.000 2.807 934 T HA 0.314 4.664 4.350 -0.000 0.000 0.279 934 T C 0.413 175.153 174.700 0.067 0.000 0.993 934 T CA -0.995 61.146 62.100 0.069 0.000 0.970 934 T CB 1.219 70.107 68.868 0.033 0.000 0.950 934 T HN 0.158 nan 8.240 nan 0.000 0.441 935 R N 2.513 123.033 120.500 0.033 0.000 3.907 935 R HA 0.167 4.507 4.340 -0.000 0.000 0.241 935 R C 0.615 176.933 176.300 0.030 0.000 1.784 935 R CA -0.161 55.952 56.100 0.021 0.000 1.509 935 R CB -1.318 28.981 30.300 -0.002 0.000 1.275 935 R HN 0.599 nan 8.270 nan 0.000 0.642 936 T N 0.000 114.577 114.554 0.038 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.121 62.100 0.035 0.000 1.349 936 T CB 0.000 68.890 68.868 0.036 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658