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 1v6w_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 0.000 177.576 177.584 -0.013 0.000 1.274 501 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 501 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 502 E N 0.735 120.925 120.200 -0.018 0.000 2.408 502 E HA 0.257 4.607 4.350 -0.000 0.000 0.259 502 E C 1.316 177.906 176.600 -0.017 0.000 1.110 502 E CA 0.802 57.192 56.400 -0.017 0.000 0.929 502 E CB 0.999 30.687 29.700 -0.020 0.000 0.971 502 E HN 0.833 nan 8.360 nan 0.000 0.438 503 S N -0.698 114.998 115.700 -0.007 0.000 2.524 503 S HA 0.055 4.525 4.470 -0.000 0.000 0.215 503 S C 0.674 175.295 174.600 0.035 0.000 0.986 503 S CA 0.049 58.257 58.200 0.013 0.000 0.911 503 S CB 0.060 63.267 63.200 0.012 0.000 0.805 503 S HN 0.467 nan 8.310 nan 0.000 0.501 504 T N -1.178 113.376 114.554 0.001 0.000 2.906 504 T HA 0.642 4.992 4.350 -0.000 0.000 0.295 504 T C 0.899 175.544 174.700 -0.092 0.000 1.061 504 T CA -0.953 61.145 62.100 -0.002 0.000 1.000 504 T CB 1.209 70.061 68.868 -0.027 0.000 1.103 504 T HN 0.008 nan 8.240 nan 0.000 0.486 505 L N 1.376 122.486 121.223 -0.189 0.000 1.989 505 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 505 L C 3.002 179.815 176.870 -0.094 0.000 1.071 505 L CA 2.018 56.646 54.840 -0.354 0.000 0.749 505 L CB -1.157 40.497 42.059 -0.675 0.000 0.890 505 L HN 0.986 nan 8.230 nan 0.000 0.431 506 G N -0.449 108.368 108.800 0.028 0.000 2.459 506 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 506 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 506 G C 1.764 176.722 174.900 0.096 0.000 1.183 506 G CA 0.926 46.123 45.100 0.162 0.000 0.776 506 G HN 0.484 nan 8.290 nan 0.000 0.552 507 A N 1.049 123.889 122.820 0.034 0.000 1.933 507 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 507 A C 2.806 180.398 177.584 0.014 0.000 1.175 507 A CA 2.309 54.358 52.037 0.021 0.000 0.628 507 A CB -0.738 18.263 19.000 0.001 0.000 0.814 507 A HN 0.819 nan 8.150 nan 0.000 0.444 508 A N -0.169 122.644 122.820 -0.011 0.000 1.898 508 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 508 A C 2.500 180.090 177.584 0.010 0.000 1.181 508 A CA 1.969 53.992 52.037 -0.024 0.000 0.620 508 A CB -0.987 17.963 19.000 -0.083 0.000 0.819 508 A HN 1.043 nan 8.150 nan 0.000 0.442 509 A N -0.066 122.786 122.820 0.053 0.000 1.933 509 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 509 A C 2.445 180.073 177.584 0.074 0.000 1.175 509 A CA 1.950 54.047 52.037 0.100 0.000 0.628 509 A CB -0.970 18.160 19.000 0.216 0.000 0.814 509 A HN 1.110 nan 8.150 nan 0.000 0.444 510 A N -0.753 122.114 122.820 0.078 0.000 2.070 510 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 510 A C 1.968 179.575 177.584 0.039 0.000 1.159 510 A CA 1.480 53.556 52.037 0.065 0.000 0.656 510 A CB -0.521 18.516 19.000 0.062 0.000 0.800 510 A HN 0.679 nan 8.150 nan 0.000 0.453 511 Q N -0.144 119.672 119.800 0.028 0.000 2.437 511 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 511 Q C 1.416 177.424 176.000 0.014 0.000 0.972 511 Q CA 1.237 57.049 55.803 0.016 0.000 0.903 511 Q CB -0.076 28.666 28.738 0.006 0.000 0.967 511 Q HN 0.795 nan 8.270 nan 0.000 0.486 512 S N -2.376 113.335 115.700 0.019 0.000 2.749 512 S HA 0.362 4.832 4.470 -0.000 0.000 0.246 512 S C 0.984 175.594 174.600 0.016 0.000 1.023 512 S CA 0.065 58.273 58.200 0.013 0.000 1.012 512 S CB 0.986 64.190 63.200 0.007 0.000 0.942 512 S HN 0.380 nan 8.310 nan 0.000 0.531 513 G N 1.471 110.287 108.800 0.027 0.000 2.153 513 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 513 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 513 G C 0.074 175.000 174.900 0.043 0.000 0.994 513 G CA 0.252 45.374 45.100 0.036 0.000 0.698 513 G HN 0.644 nan 8.290 nan 0.000 0.521 514 R N -1.220 119.301 120.500 0.035 0.000 2.893 514 R HA 0.743 5.083 4.340 -0.000 0.000 0.245 514 R C -0.079 176.272 176.300 0.084 0.000 1.192 514 R CA -0.716 55.381 56.100 -0.005 0.000 1.077 514 R CB 0.878 31.130 30.300 -0.080 0.000 1.253 514 R HN 0.477 nan 8.270 nan 0.000 0.505 515 Y N -1.457 118.896 120.300 0.088 0.000 2.562 515 Y HA 0.685 5.235 4.550 -0.000 0.000 0.343 515 Y C -1.312 174.688 175.900 0.166 0.000 1.025 515 Y CA -1.771 56.399 58.100 0.117 0.000 1.082 515 Y CB 1.152 39.656 38.460 0.073 0.000 1.264 515 Y HN 0.426 nan 8.280 nan 0.000 0.478 516 F N 1.829 122.010 119.950 0.385 0.000 2.553 516 F HA 0.785 5.312 4.527 -0.000 0.000 0.335 516 F C -0.016 176.100 175.800 0.525 0.000 1.148 516 F CA -0.706 57.516 58.000 0.371 0.000 0.963 516 F CB 1.477 40.628 39.000 0.251 0.000 1.217 516 F HN 0.956 nan 8.300 nan 0.000 0.441 517 G N 2.026 111.035 108.800 0.348 0.000 3.108 517 G HA2 0.638 4.598 3.960 -0.000 0.000 0.268 517 G HA3 0.638 4.598 3.960 -0.000 0.000 0.268 517 G C -1.314 173.448 174.900 -0.231 0.000 1.361 517 G CA -0.673 44.550 45.100 0.205 0.000 1.047 517 G HN 0.621 nan 8.290 nan 0.000 0.540 518 T N -2.083 112.169 114.554 -0.503 0.000 2.787 518 T HA 0.624 4.974 4.350 -0.000 0.000 0.297 518 T C -1.121 173.313 174.700 -0.444 0.000 1.221 518 T CA 0.191 61.889 62.100 -0.671 0.000 1.006 518 T CB 1.356 69.403 68.868 -1.368 0.000 1.328 518 T HN 1.261 nan 8.240 nan 0.000 0.509 519 A N 2.739 125.241 122.820 -0.530 0.000 2.260 519 A HA 0.691 5.011 4.320 -0.000 0.000 0.308 519 A C -0.353 176.940 177.584 -0.486 0.000 1.254 519 A CA -0.575 51.029 52.037 -0.721 0.000 0.874 519 A CB -0.018 18.037 19.000 -1.575 0.000 1.153 519 A HN 0.655 nan 8.150 nan 0.000 0.527 520 I N 2.076 122.440 120.570 -0.344 0.000 2.359 520 I HA 0.453 4.623 4.170 -0.000 0.000 0.294 520 I C 0.612 176.618 176.117 -0.185 0.000 0.987 520 I CA -0.169 61.001 61.300 -0.216 0.000 1.225 520 I CB 1.380 39.249 38.000 -0.219 0.000 1.366 520 I HN 0.699 nan 8.210 nan 0.000 0.466 521 A N 4.332 127.067 122.820 -0.142 0.000 2.258 521 A HA 0.432 4.752 4.320 -0.000 0.000 0.316 521 A C 1.061 178.520 177.584 -0.208 0.000 1.279 521 A CA -0.294 51.631 52.037 -0.186 0.000 0.876 521 A CB 0.631 19.490 19.000 -0.234 0.000 1.170 521 A HN 0.836 nan 8.150 nan 0.000 0.520 522 S N 2.606 118.225 115.700 -0.135 0.000 2.387 522 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 522 S C 1.737 176.252 174.600 -0.142 0.000 1.035 522 S CA 1.669 59.801 58.200 -0.113 0.000 1.014 522 S CB -0.607 62.576 63.200 -0.028 0.000 0.836 522 S HN 1.202 nan 8.310 nan 0.000 0.466 523 G N 1.143 109.853 108.800 -0.149 0.000 2.559 523 G HA2 0.001 3.961 3.960 -0.000 0.000 0.216 523 G HA3 0.001 3.961 3.960 -0.000 0.000 0.216 523 G C 1.357 176.119 174.900 -0.230 0.000 1.126 523 G CA 0.270 45.280 45.100 -0.150 0.000 0.778 523 G HN 0.611 nan 8.290 nan 0.000 0.543 524 K N -0.330 119.840 120.400 -0.384 0.000 2.353 524 K HA 0.327 4.647 4.320 -0.000 0.000 0.195 524 K C 1.800 178.131 176.600 -0.447 0.000 1.031 524 K CA -0.318 55.611 56.287 -0.597 0.000 1.079 524 K CB 0.250 31.973 32.500 -1.295 0.000 0.857 524 K HN 0.223 nan 8.250 nan 0.000 0.535 525 L N 0.339 121.390 121.223 -0.286 0.000 2.456 525 L HA -0.060 4.280 4.340 -0.000 0.000 0.224 525 L C 1.944 178.776 176.870 -0.063 0.000 1.148 525 L CA 0.904 55.634 54.840 -0.183 0.000 0.825 525 L CB -0.316 41.594 42.059 -0.250 0.000 0.937 525 L HN 0.283 nan 8.230 nan 0.000 0.450 526 G N -1.641 107.117 108.800 -0.071 0.000 2.985 526 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.209 526 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.209 526 G C 0.285 175.178 174.900 -0.012 0.000 1.165 526 G CA -0.173 44.914 45.100 -0.022 0.000 0.776 526 G HN 0.165 nan 8.290 nan 0.000 0.541 527 D N 0.538 120.922 120.400 -0.027 0.000 2.380 527 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 527 D C 1.276 177.616 176.300 0.067 0.000 1.154 527 D CA -0.214 53.788 54.000 0.003 0.000 0.859 527 D CB 1.300 42.076 40.800 -0.041 0.000 1.045 527 D HN -0.057 nan 8.370 nan 0.000 0.495 528 S N 2.615 118.347 115.700 0.053 0.000 2.383 528 S HA -0.191 4.279 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 1.290 59.526 58.200 0.061 0.000 1.002 528 S CB 0.026 63.250 63.200 0.040 0.000 0.829 528 S HN 0.700 nan 8.310 nan 0.000 0.467 529 A N 0.283 123.133 122.820 0.050 0.000 1.933 529 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 529 A C 1.937 179.545 177.584 0.039 0.000 1.175 529 A CA 1.545 53.602 52.037 0.032 0.000 0.628 529 A CB -0.868 18.151 19.000 0.031 0.000 0.814 529 A HN 0.598 nan 8.150 nan 0.000 0.444 530 Y N 1.737 121.997 120.300 -0.065 0.000 2.133 530 Y HA -0.223 4.327 4.550 -0.000 0.000 0.287 530 Y C 2.924 178.774 175.900 -0.083 0.000 1.134 530 Y CA 2.677 60.720 58.100 -0.095 0.000 1.133 530 Y CB -0.641 37.748 38.460 -0.117 0.000 0.987 530 Y HN 0.432 nan 8.280 nan 0.000 0.502 531 T N -3.594 111.001 114.554 0.069 0.000 2.867 531 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 531 T C 1.796 176.556 174.700 0.101 0.000 1.057 531 T CA 1.623 63.773 62.100 0.084 0.000 1.136 531 T CB -1.030 67.981 68.868 0.239 0.000 0.874 531 T HN 0.333 nan 8.240 nan 0.000 0.466 532 T N 2.316 116.889 114.554 0.031 0.000 2.684 532 T HA 0.041 4.391 4.350 -0.000 0.000 0.267 532 T C 1.891 176.548 174.700 -0.071 0.000 1.036 532 T CA 1.500 63.598 62.100 -0.002 0.000 1.148 532 T CB -0.454 68.401 68.868 -0.021 0.000 0.863 532 T HN 0.415 nan 8.240 nan 0.000 0.436 533 I N 1.202 121.666 120.570 -0.177 0.000 2.163 533 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 533 I C 2.979 178.955 176.117 -0.235 0.000 1.081 533 I CA 1.173 62.264 61.300 -0.349 0.000 1.353 533 I CB -0.586 37.032 38.000 -0.637 0.000 1.054 533 I HN 0.184 nan 8.210 nan 0.000 0.407 534 A N -0.146 122.595 122.820 -0.132 0.000 1.883 534 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 534 A C 2.509 180.335 177.584 0.404 0.000 1.186 534 A CA 2.451 54.604 52.037 0.193 0.000 0.624 534 A CB -0.930 17.990 19.000 -0.133 0.000 0.822 534 A HN 0.403 nan 8.150 nan 0.000 0.444 535 S N -1.124 114.786 115.700 0.351 0.000 2.383 535 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 535 S C 2.210 176.818 174.600 0.013 0.000 1.026 535 S CA 1.451 59.739 58.200 0.147 0.000 0.981 535 S CB -0.347 62.897 63.200 0.074 0.000 0.818 535 S HN 0.622 nan 8.310 nan 0.000 0.472 536 R N 0.294 120.781 120.500 -0.022 0.000 2.073 536 R HA 0.019 4.359 4.340 -0.000 0.000 0.229 536 R C 1.733 177.959 176.300 -0.123 0.000 1.120 536 R CA 1.438 57.494 56.100 -0.073 0.000 0.967 536 R CB -0.107 30.143 30.300 -0.084 0.000 0.862 536 R HN 0.346 nan 8.270 nan 0.000 0.436 537 E N -0.471 119.570 120.200 -0.266 0.000 2.318 537 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 537 E C -0.275 175.960 176.600 -0.609 0.000 0.998 537 E CA 0.457 56.547 56.400 -0.516 0.000 0.859 537 E CB 0.306 29.494 29.700 -0.854 0.000 0.812 537 E HN 0.144 nan 8.360 nan 0.000 0.492 538 F N 1.478 121.509 119.950 0.136 0.000 2.546 538 F HA 0.253 4.780 4.527 -0.000 0.000 0.320 538 F C 0.951 176.817 175.800 0.110 0.000 1.076 538 F CA -1.210 56.898 58.000 0.181 0.000 0.928 538 F CB 0.950 40.068 39.000 0.196 0.000 1.189 538 F HN -0.198 nan 8.300 nan 0.000 0.465 539 N N 0.860 119.747 118.700 0.312 0.000 2.235 539 N HA 0.318 5.058 4.740 -0.000 0.000 0.231 539 N C -0.689 174.880 175.510 0.097 0.000 1.177 539 N CA -0.066 53.077 53.050 0.156 0.000 0.874 539 N CB 0.749 39.315 38.487 0.132 0.000 1.097 539 N HN 0.592 nan 8.380 nan 0.000 0.518 540 M N 0.445 120.117 119.600 0.121 0.000 2.378 540 M HA 0.550 5.030 4.480 -0.000 0.000 0.289 540 M C -2.200 174.079 176.300 -0.034 0.000 1.136 540 M CA -0.784 54.474 55.300 -0.069 0.000 0.917 540 M CB 2.392 34.818 32.600 -0.291 0.000 1.669 540 M HN -0.163 nan 8.290 nan 0.000 0.461 541 V N 3.087 122.949 119.914 -0.087 0.000 2.656 541 V HA 0.798 4.918 4.120 -0.000 0.000 0.307 541 V C -0.696 175.327 176.094 -0.118 0.000 1.051 541 V CA -0.520 61.743 62.300 -0.062 0.000 0.893 541 V CB 2.477 34.331 31.823 0.052 0.000 0.999 541 V HN 0.896 nan 8.190 nan 0.000 0.426 542 T N 3.348 117.818 114.554 -0.139 0.000 2.848 542 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 542 T C -0.026 174.584 174.700 -0.150 0.000 0.995 542 T CA -0.295 61.730 62.100 -0.126 0.000 0.970 542 T CB 1.677 70.507 68.868 -0.063 0.000 0.976 542 T HN 0.949 nan 8.240 nan 0.000 0.441 543 A N 1.991 124.770 122.820 -0.069 0.000 2.454 543 A HA 0.273 4.593 4.320 -0.000 0.000 0.260 543 A C 1.352 178.907 177.584 -0.048 0.000 1.106 543 A CA -0.321 51.690 52.037 -0.044 0.000 0.780 543 A CB -0.003 19.023 19.000 0.042 0.000 1.044 543 A HN 1.059 nan 8.150 nan 0.000 0.498 544 E N 2.042 122.129 120.200 -0.188 0.000 2.153 544 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 544 E C 0.598 177.256 176.600 0.097 0.000 0.988 544 E CA 1.648 57.905 56.400 -0.238 0.000 0.811 544 E CB 0.090 29.554 29.700 -0.393 0.000 0.746 544 E HN 0.805 nan 8.360 nan 0.000 0.466 545 N N -1.184 117.574 118.700 0.098 0.000 1.952 545 N HA -0.020 4.720 4.740 -0.000 0.000 0.231 545 N C 0.648 176.255 175.510 0.161 0.000 1.378 545 N CA 0.171 53.319 53.050 0.164 0.000 0.828 545 N CB 0.354 38.911 38.487 0.117 0.000 1.097 545 N HN -0.016 nan 8.380 nan 0.000 0.476 546 E N 0.742 121.021 120.200 0.132 0.000 2.333 546 E HA 0.083 4.433 4.350 -0.000 0.000 0.198 546 E C 1.098 177.833 176.600 0.226 0.000 1.007 546 E CA 0.939 57.432 56.400 0.155 0.000 0.845 546 E CB -0.004 29.776 29.700 0.134 0.000 0.766 546 E HN 0.347 nan 8.360 nan 0.000 0.507 547 M N -0.174 119.577 119.600 0.251 0.000 2.412 547 M HA 0.165 4.645 4.480 -0.000 0.000 0.315 547 M C -0.060 176.459 176.300 0.366 0.000 1.092 547 M CA -0.113 55.394 55.300 0.345 0.000 0.974 547 M CB 0.651 33.433 32.600 0.304 0.000 1.437 547 M HN -0.160 nan 8.290 nan 0.000 0.524 548 K N 0.486 121.062 120.400 0.293 0.000 2.118 548 K HA 0.278 4.598 4.320 -0.000 0.000 0.240 548 K C 1.093 177.862 176.600 0.281 0.000 1.035 548 K CA -0.253 56.202 56.287 0.280 0.000 0.899 548 K CB 1.190 33.855 32.500 0.275 0.000 1.085 548 K HN 0.071 nan 8.250 nan 0.000 0.498 549 I N 1.220 121.906 120.570 0.194 0.000 2.179 549 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 549 I C 1.971 178.101 176.117 0.022 0.000 1.088 549 I CA 1.469 62.775 61.300 0.010 0.000 1.357 549 I CB -0.494 37.325 38.000 -0.302 0.000 1.051 549 I HN 0.719 nan 8.210 nan 0.000 0.409 550 D N 1.725 122.114 120.400 -0.019 0.000 2.178 550 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 550 D C 1.987 178.322 176.300 0.059 0.000 0.974 550 D CA 1.484 55.473 54.000 -0.018 0.000 0.841 550 D CB -0.364 40.398 40.800 -0.064 0.000 0.953 550 D HN 0.351 nan 8.370 nan 0.000 0.478 551 A N 0.422 123.300 122.820 0.097 0.000 1.970 551 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 551 A C 2.271 179.913 177.584 0.096 0.000 1.170 551 A CA 1.922 54.020 52.037 0.101 0.000 0.645 551 A CB -0.720 18.358 19.000 0.130 0.000 0.816 551 A HN 0.443 nan 8.150 nan 0.000 0.447 552 T N -3.484 111.169 114.554 0.164 0.000 3.037 552 T HA 0.202 4.552 4.350 -0.000 0.000 0.251 552 T C 0.557 175.277 174.700 0.033 0.000 1.079 552 T CA 0.736 62.892 62.100 0.094 0.000 1.067 552 T CB 0.128 69.173 68.868 0.295 0.000 0.948 552 T HN 0.430 nan 8.240 nan 0.000 0.496 553 E N 1.379 121.665 120.200 0.143 0.000 3.352 553 E HA 0.270 4.620 4.350 -0.000 0.000 0.254 553 E C -2.446 174.278 176.600 0.207 0.000 1.229 553 E CA -1.927 54.480 56.400 0.013 0.000 0.949 553 E CB 1.367 31.147 29.700 0.133 0.000 1.373 553 E HN 0.071 nan 8.360 nan 0.000 0.392 554 P HA -0.142 nan 4.420 nan 0.000 0.216 554 P C -0.434 177.003 177.300 0.228 0.000 1.150 554 P CA 1.196 64.385 63.100 0.147 0.000 0.837 554 P CB 0.281 31.994 31.700 0.023 0.000 0.786 555 Q N -2.133 117.611 119.800 -0.093 0.000 2.413 555 Q HA 0.380 4.720 4.340 -0.000 0.000 0.276 555 Q C -0.384 174.964 176.000 -1.087 0.000 1.099 555 Q CA -0.843 54.648 55.803 -0.519 0.000 0.814 555 Q CB 1.328 29.867 28.738 -0.332 0.000 1.379 555 Q HN -0.150 nan 8.270 nan 0.000 0.436 556 R N 0.489 119.896 120.500 -1.822 0.000 2.480 556 R HA 0.263 4.603 4.340 -0.000 0.000 0.303 556 R C 0.575 176.369 176.300 -0.843 0.000 0.985 556 R CA 1.629 56.667 56.100 -1.770 0.000 1.051 556 R CB -0.497 28.952 30.300 -1.419 0.000 0.935 556 R HN 0.898 nan 8.270 nan 0.000 0.410 557 G N 3.047 111.419 108.800 -0.713 0.000 2.205 557 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.261 557 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.261 557 G C -0.156 174.488 174.900 -0.427 0.000 0.980 557 G CA 0.211 45.051 45.100 -0.433 0.000 0.632 557 G HN 0.622 nan 8.290 nan 0.000 0.533 558 Q N 0.151 119.623 119.800 -0.547 0.000 2.466 558 Q HA 0.577 4.917 4.340 -0.000 0.000 0.242 558 Q C -0.730 174.991 176.000 -0.465 0.000 1.046 558 Q CA -0.542 55.047 55.803 -0.356 0.000 0.841 558 Q CB 0.609 29.188 28.738 -0.265 0.000 1.193 558 Q HN 0.306 nan 8.270 nan 0.000 0.508 559 F N 1.816 121.654 119.950 -0.187 0.000 2.396 559 F HA 0.231 4.758 4.527 0.000 0.000 0.343 559 F C 0.823 176.286 175.800 -0.561 0.000 1.104 559 F CA -0.404 57.359 58.000 -0.396 0.000 1.161 559 F CB 0.768 39.543 39.000 -0.375 0.000 1.146 559 F HN 0.382 nan 8.300 nan 0.000 0.522 560 N N 3.379 121.735 118.700 -0.573 0.000 2.448 560 N HA 0.244 4.984 4.740 -0.000 0.000 0.279 560 N C -0.855 174.316 175.510 -0.565 0.000 1.025 560 N CA -0.326 52.470 53.050 -0.424 0.000 0.898 560 N CB 0.713 39.090 38.487 -0.183 0.000 1.303 560 N HN 0.389 nan 8.380 nan 0.000 0.495 561 F N 0.948 120.866 119.950 -0.053 0.000 2.661 561 F HA 0.134 4.661 4.527 0.000 0.000 0.306 561 F C 2.242 178.087 175.800 0.074 0.000 1.094 561 F CA -0.260 57.712 58.000 -0.045 0.000 1.254 561 F CB 0.071 38.786 39.000 -0.475 0.000 1.040 561 F HN 0.452 nan 8.300 nan 0.000 0.562 562 S N 0.728 116.529 115.700 0.168 0.000 2.353 562 S HA -0.272 4.198 4.470 -0.000 0.000 0.222 562 S C 2.378 177.084 174.600 0.177 0.000 1.035 562 S CA 1.245 59.540 58.200 0.159 0.000 1.025 562 S CB -0.888 62.369 63.200 0.095 0.000 0.902 562 S HN 0.265 nan 8.310 nan 0.000 0.440 563 A N 2.086 124.999 122.820 0.154 0.000 1.873 563 A HA 0.240 4.560 4.320 -0.000 0.000 0.215 563 A C 2.481 180.188 177.584 0.205 0.000 1.186 563 A CA 1.616 53.741 52.037 0.146 0.000 0.616 563 A CB -1.821 17.246 19.000 0.112 0.000 0.823 563 A HN 0.683 nan 8.150 nan 0.000 0.442 564 G N -0.249 108.725 108.800 0.290 0.000 2.440 564 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 564 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 564 G C 1.098 176.247 174.900 0.414 0.000 1.154 564 G CA 1.268 46.588 45.100 0.367 0.000 0.767 564 G HN 0.452 nan 8.290 nan 0.000 0.552 565 D N 0.273 120.949 120.400 0.461 0.000 2.219 565 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 565 D C 2.667 179.179 176.300 0.354 0.000 0.970 565 D CA 0.381 54.659 54.000 0.463 0.000 0.851 565 D CB -0.168 40.874 40.800 0.403 0.000 0.943 565 D HN 0.274 nan 8.370 nan 0.000 0.488 566 R N 0.166 120.822 120.500 0.261 0.000 2.081 566 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 566 R C 2.281 178.710 176.300 0.215 0.000 1.131 566 R CA 0.727 56.948 56.100 0.201 0.000 0.960 566 R CB -0.243 30.137 30.300 0.133 0.000 0.856 566 R HN 0.096 nan 8.270 nan 0.000 0.436 567 V N -0.123 119.914 119.914 0.204 0.000 2.323 567 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 567 V C 1.898 178.138 176.094 0.244 0.000 1.041 567 V CA 1.575 63.984 62.300 0.182 0.000 1.025 567 V CB -0.642 31.248 31.823 0.111 0.000 0.656 567 V HN 0.268 nan 8.190 nan 0.000 0.451 568 Y N 2.170 122.556 120.300 0.143 0.000 2.097 568 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 568 Y C 2.543 178.524 175.900 0.135 0.000 1.152 568 Y CA 2.179 60.344 58.100 0.109 0.000 1.136 568 Y CB -0.460 38.088 38.460 0.146 0.000 0.975 568 Y HN 0.284 nan 8.280 nan 0.000 0.498 569 N N -0.419 118.389 118.700 0.181 0.000 2.104 569 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 569 N C 1.547 177.069 175.510 0.019 0.000 1.024 569 N CA 1.702 54.798 53.050 0.077 0.000 0.853 569 N CB -1.209 37.392 38.487 0.191 0.000 1.008 569 N HN 0.671 nan 8.380 nan 0.000 0.424 570 W N 1.838 123.111 121.300 -0.045 0.000 2.358 570 W HA -0.046 4.614 4.660 0.000 0.000 0.303 570 W C 2.348 178.811 176.519 -0.095 0.000 1.208 570 W CA 2.190 59.508 57.345 -0.044 0.000 1.274 570 W CB -0.412 29.045 29.460 -0.004 0.000 1.138 570 W HN 0.091 nan 8.180 nan 0.000 0.515 571 A N 0.296 123.146 122.820 0.049 0.000 1.851 571 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 571 A C 2.118 179.495 177.584 -0.345 0.000 1.195 571 A CA 3.215 55.162 52.037 -0.149 0.000 0.622 571 A CB -1.661 17.299 19.000 -0.067 0.000 0.831 571 A HN 0.565 nan 8.150 nan 0.000 0.444 572 V N -2.015 117.650 119.914 -0.415 0.000 2.407 572 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 572 V C 2.415 178.339 176.094 -0.284 0.000 1.055 572 V CA 2.550 64.627 62.300 -0.371 0.000 1.049 572 V CB -1.303 30.242 31.823 -0.463 0.000 0.662 572 V HN 0.544 nan 8.190 nan 0.000 0.455 573 Q N 1.600 121.227 119.800 -0.290 0.000 2.181 573 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 573 Q C 1.663 177.474 176.000 -0.315 0.000 0.980 573 Q CA 2.045 57.697 55.803 -0.251 0.000 0.862 573 Q CB -0.381 28.222 28.738 -0.225 0.000 0.905 573 Q HN 0.767 nan 8.270 nan 0.000 0.429 574 N N -0.899 117.522 118.700 -0.465 0.000 2.273 574 N HA 0.180 4.920 4.740 -0.000 0.000 0.231 574 N C -0.098 175.223 175.510 -0.316 0.000 1.134 574 N CA 0.705 53.474 53.050 -0.468 0.000 0.856 574 N CB 0.977 38.971 38.487 -0.822 0.000 1.068 574 N HN 0.372 nan 8.380 nan 0.000 0.510 575 G N 1.160 109.816 108.800 -0.241 0.000 2.198 575 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 575 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 575 G C -0.104 174.715 174.900 -0.134 0.000 1.025 575 G CA 0.402 45.407 45.100 -0.159 0.000 0.769 575 G HN 0.289 nan 8.290 nan 0.000 0.507 576 K N 0.028 120.327 120.400 -0.169 0.000 2.156 576 K HA 0.619 4.939 4.320 -0.000 0.000 0.254 576 K C 0.722 177.244 176.600 -0.130 0.000 0.950 576 K CA -0.609 55.611 56.287 -0.112 0.000 0.849 576 K CB 1.430 33.884 32.500 -0.077 0.000 1.100 576 K HN 0.368 nan 8.250 nan 0.000 0.434 577 Q N 0.346 120.077 119.800 -0.115 0.000 2.308 577 Q HA 0.497 4.837 4.340 -0.000 0.000 0.207 577 Q C -0.709 175.195 176.000 -0.160 0.000 1.035 577 Q CA -0.818 54.904 55.803 -0.135 0.000 1.008 577 Q CB 1.198 29.844 28.738 -0.153 0.000 1.168 577 Q HN 0.217 nan 8.270 nan 0.000 0.565 578 V N 0.839 120.655 119.914 -0.164 0.000 2.760 578 V HA 0.386 4.506 4.120 -0.000 0.000 0.309 578 V C -0.834 175.094 176.094 -0.278 0.000 1.077 578 V CA -0.779 61.411 62.300 -0.183 0.000 0.910 578 V CB 1.995 33.762 31.823 -0.092 0.000 1.008 578 V HN 0.630 nan 8.190 nan 0.000 0.424 579 R N 2.413 122.737 120.500 -0.293 0.000 2.294 579 R HA 0.569 4.909 4.340 -0.000 0.000 0.319 579 R C 0.347 176.382 176.300 -0.443 0.000 0.984 579 R CA -0.454 55.449 56.100 -0.328 0.000 0.861 579 R CB 1.803 31.977 30.300 -0.210 0.000 1.104 579 R HN 0.898 nan 8.270 nan 0.000 0.451 580 G N 1.669 109.967 108.800 -0.837 0.000 2.355 580 G HA2 0.169 4.129 3.960 -0.000 0.000 0.276 580 G HA3 0.169 4.129 3.960 -0.000 0.000 0.276 580 G C -0.926 173.786 174.900 -0.314 0.000 1.198 580 G CA 0.029 44.330 45.100 -1.331 0.000 0.876 580 G HN 0.635 nan 8.290 nan 0.000 0.478 581 H N 0.188 119.204 119.070 -0.090 0.000 3.018 581 H HA 0.597 5.153 4.556 -0.000 0.000 0.334 581 H C -0.743 174.724 175.328 0.231 0.000 0.983 581 H CA -0.268 55.843 56.048 0.105 0.000 1.363 581 H CB 2.055 31.842 29.762 0.042 0.000 1.668 581 H HN 0.645 nan 8.280 nan 0.000 0.513 582 T N 4.476 119.034 114.554 0.006 0.000 2.894 582 T HA 0.283 4.633 4.350 -0.000 0.000 0.309 582 T C 0.520 175.326 174.700 0.176 0.000 1.208 582 T CA -0.667 61.404 62.100 -0.049 0.000 1.016 582 T CB 1.107 69.575 68.868 -0.666 0.000 1.192 582 T HN 0.551 nan 8.240 nan 0.000 0.491 583 L N 1.882 123.203 121.223 0.163 0.000 2.202 583 L HA 0.519 4.859 4.340 -0.000 0.000 0.205 583 L C 1.235 178.241 176.870 0.227 0.000 1.083 583 L CA 0.305 55.249 54.840 0.173 0.000 0.790 583 L CB -0.140 41.888 42.059 -0.052 0.000 0.942 583 L HN 0.674 nan 8.230 nan 0.000 0.452 584 A N -1.020 121.918 122.820 0.197 0.000 2.353 584 A HA 0.563 4.883 4.320 -0.000 0.000 0.299 584 A C -1.989 175.851 177.584 0.426 0.000 1.089 584 A CA -0.193 52.026 52.037 0.304 0.000 0.736 584 A CB 1.038 20.274 19.000 0.393 0.000 1.195 584 A HN 0.183 nan 8.150 nan 0.000 0.447 585 W N 3.831 125.195 121.300 0.106 0.000 3.419 585 W HA 0.344 5.004 4.660 -0.000 0.000 0.298 585 W C 0.475 176.975 176.519 -0.032 0.000 1.260 585 W CA -0.825 56.570 57.345 0.083 0.000 1.199 585 W CB 0.797 30.236 29.460 -0.034 0.000 1.349 585 W HN 0.826 nan 8.180 nan 0.000 0.557 586 H N 1.094 120.188 119.070 0.040 0.000 2.502 586 H HA 0.156 4.712 4.556 -0.000 0.000 0.283 586 H C 0.217 175.245 175.328 -0.499 0.000 1.015 586 H CA 1.042 56.956 56.048 -0.225 0.000 1.298 586 H CB 0.069 29.765 29.762 -0.110 0.000 1.411 586 H HN 0.091 nan 8.280 nan 0.000 0.556 587 S N 0.114 114.689 115.700 -1.874 0.000 2.654 587 S HA 0.167 4.637 4.470 -0.000 0.000 0.283 587 S C 0.030 173.834 174.600 -1.326 0.000 1.180 587 S CA -0.428 56.738 58.200 -1.723 0.000 1.021 587 S CB 0.790 62.721 63.200 -2.114 0.000 1.018 587 S HN 0.549 nan 8.310 nan 0.000 0.532 588 Q N 0.589 119.908 119.800 -0.802 0.000 2.453 588 Q HA -0.207 4.133 4.340 -0.000 0.000 0.294 588 Q C -0.610 175.179 176.000 -0.352 0.000 1.295 588 Q CA 0.687 56.214 55.803 -0.460 0.000 0.853 588 Q CB -1.297 27.234 28.738 -0.344 0.000 1.193 588 Q HN 0.665 nan 8.270 nan 0.000 0.461 589 Q N 1.065 120.628 119.800 -0.394 0.000 2.259 589 Q HA 0.353 4.693 4.340 -0.000 0.000 0.249 589 Q C -1.962 173.803 176.000 -0.390 0.000 0.914 589 Q CA -1.805 53.758 55.803 -0.399 0.000 0.904 589 Q CB 0.805 29.285 28.738 -0.431 0.000 1.213 589 Q HN 0.116 nan 8.270 nan 0.000 0.428 590 P HA -0.072 nan 4.420 nan 0.000 0.272 590 P C 0.384 177.400 177.300 -0.474 0.000 1.230 590 P CA 0.125 62.975 63.100 -0.416 0.000 0.788 590 P CB 0.628 32.070 31.700 -0.429 0.000 0.949 591 G N 1.955 110.617 108.800 -0.231 0.000 2.505 591 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 591 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 591 G C 1.391 176.213 174.900 -0.130 0.000 1.145 591 G CA 0.583 45.596 45.100 -0.145 0.000 0.761 591 G HN 0.760 nan 8.290 nan 0.000 0.571 592 W N -0.117 121.135 121.300 -0.080 0.000 2.374 592 W HA 0.045 4.705 4.660 -0.000 0.000 0.288 592 W C 2.069 178.540 176.519 -0.080 0.000 1.218 592 W CA 1.030 58.329 57.345 -0.076 0.000 1.245 592 W CB -0.809 28.603 29.460 -0.080 0.000 1.126 592 W HN 0.290 nan 8.180 nan 0.000 0.545 593 M N 1.333 120.384 119.600 -0.916 0.000 2.334 593 M HA -0.114 4.366 4.480 -0.000 0.000 0.266 593 M C 2.389 178.443 176.300 -0.410 0.000 1.082 593 M CA 1.493 56.291 55.300 -0.835 0.000 1.141 593 M CB -0.212 31.619 32.600 -1.282 0.000 1.380 593 M HN -0.031 nan 8.290 nan 0.000 0.440 594 Q N -0.578 119.007 119.800 -0.360 0.000 2.226 594 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 594 Q C 1.605 177.516 176.000 -0.148 0.000 0.975 594 Q CA 1.584 57.247 55.803 -0.234 0.000 0.866 594 Q CB -0.025 28.589 28.738 -0.207 0.000 0.915 594 Q HN 0.454 nan 8.270 nan 0.000 0.440 595 S N 0.235 115.870 115.700 -0.109 0.000 2.603 595 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 595 S C 0.559 175.139 174.600 -0.034 0.000 0.967 595 S CA 0.170 58.340 58.200 -0.050 0.000 0.920 595 S CB 0.107 63.302 63.200 -0.007 0.000 0.773 595 S HN 0.197 nan 8.310 nan 0.000 0.529 596 L N 1.738 122.929 121.223 -0.053 0.000 2.360 596 L HA 0.597 4.937 4.340 -0.000 0.000 0.271 596 L C 0.329 177.165 176.870 -0.056 0.000 1.057 596 L CA -0.485 54.338 54.840 -0.028 0.000 0.803 596 L CB 1.380 43.437 42.059 -0.003 0.000 1.207 596 L HN 0.153 nan 8.230 nan 0.000 0.445 597 S N -0.331 115.347 115.700 -0.036 0.000 2.615 597 S HA 0.820 5.290 4.470 -0.000 0.000 0.269 597 S C -0.146 174.437 174.600 -0.027 0.000 1.161 597 S CA -0.250 57.921 58.200 -0.048 0.000 0.817 597 S CB 1.340 64.512 63.200 -0.046 0.000 1.131 597 S HN 1.255 nan 8.310 nan 0.000 0.467 598 G N 1.928 110.710 108.800 -0.031 0.000 2.574 598 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.282 598 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.282 598 G C 1.099 176.002 174.900 0.005 0.000 1.257 598 G CA 1.490 46.583 45.100 -0.010 0.000 0.956 598 G HN 2.246 nan 8.290 nan 0.000 0.560 599 S N -1.487 114.223 115.700 0.017 0.000 2.383 599 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 599 S C 2.239 176.861 174.600 0.036 0.000 1.030 599 S CA 2.804 61.022 58.200 0.030 0.000 1.002 599 S CB -0.963 62.254 63.200 0.029 0.000 0.829 599 S HN 1.259 nan 8.310 nan 0.000 0.467 600 T N 2.694 117.267 114.554 0.031 0.000 2.746 600 T HA 0.057 4.407 4.350 -0.000 0.000 0.267 600 T C 1.702 176.437 174.700 0.058 0.000 1.039 600 T CA 1.281 63.408 62.100 0.045 0.000 1.142 600 T CB -0.506 68.386 68.868 0.040 0.000 0.866 600 T HN 0.321 nan 8.240 nan 0.000 0.444 601 L N 0.676 121.918 121.223 0.031 0.000 2.056 601 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 601 L C 2.798 179.690 176.870 0.036 0.000 1.078 601 L CA 1.407 56.256 54.840 0.015 0.000 0.749 601 L CB -0.247 41.783 42.059 -0.048 0.000 0.901 601 L HN 0.128 nan 8.230 nan 0.000 0.433 602 R N 0.260 120.785 120.500 0.042 0.000 2.083 602 R HA -0.267 4.073 4.340 -0.000 0.000 0.237 602 R C 2.184 178.542 176.300 0.097 0.000 1.137 602 R CA 2.094 58.239 56.100 0.075 0.000 0.951 602 R CB -0.618 29.728 30.300 0.076 0.000 0.851 602 R HN 0.320 nan 8.270 nan 0.000 0.434 603 Q N -0.399 119.454 119.800 0.089 0.000 2.172 603 Q HA 0.128 4.468 4.340 -0.000 0.000 0.200 603 Q C 1.819 177.899 176.000 0.133 0.000 0.964 603 Q CA 1.831 57.692 55.803 0.098 0.000 0.855 603 Q CB -0.338 28.447 28.738 0.078 0.000 0.918 603 Q HN 0.417 nan 8.270 nan 0.000 0.444 604 A N 0.319 123.230 122.820 0.152 0.000 1.902 604 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 604 A C 2.121 179.851 177.584 0.243 0.000 1.181 604 A CA 1.602 53.779 52.037 0.234 0.000 0.623 604 A CB -0.673 18.503 19.000 0.293 0.000 0.818 604 A HN 0.578 nan 8.150 nan 0.000 0.443 605 M N -0.412 119.290 119.600 0.169 0.000 2.086 605 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 605 M C 1.943 178.367 176.300 0.207 0.000 1.067 605 M CA 1.901 57.308 55.300 0.179 0.000 1.116 605 M CB -0.331 32.363 32.600 0.157 0.000 1.348 605 M HN 0.432 nan 8.290 nan 0.000 0.407 606 I N 0.478 121.148 120.570 0.166 0.000 2.179 606 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 606 I C 1.826 178.026 176.117 0.139 0.000 1.088 606 I CA 1.329 62.706 61.300 0.128 0.000 1.357 606 I CB -0.746 37.313 38.000 0.099 0.000 1.051 606 I HN 0.300 nan 8.210 nan 0.000 0.409 607 D N -0.314 120.198 120.400 0.185 0.000 2.144 607 D HA -0.240 4.400 4.640 -0.000 0.000 0.199 607 D C 1.984 178.491 176.300 0.345 0.000 0.984 607 D CA 1.479 55.614 54.000 0.226 0.000 0.834 607 D CB -0.432 40.516 40.800 0.247 0.000 0.955 607 D HN 0.432 nan 8.370 nan 0.000 0.465 608 H N 0.581 119.843 119.070 0.320 0.000 2.321 608 H HA -0.013 4.543 4.556 0.000 0.000 0.300 608 H C 2.170 177.625 175.328 0.212 0.000 1.087 608 H CA 1.307 57.608 56.048 0.422 0.000 1.319 608 H CB -0.326 29.621 29.762 0.308 0.000 1.379 608 H HN 0.055 nan 8.280 nan 0.000 0.501 609 I N 0.258 120.888 120.570 0.100 0.000 2.163 609 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 609 I C 2.076 178.074 176.117 -0.199 0.000 1.085 609 I CA 1.345 62.585 61.300 -0.099 0.000 1.347 609 I CB -0.359 37.608 38.000 -0.056 0.000 1.044 609 I HN 0.382 nan 8.210 nan 0.000 0.408 610 N N 1.129 119.757 118.700 -0.121 0.000 2.120 610 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 610 N C 1.902 177.235 175.510 -0.295 0.000 1.024 610 N CA 1.706 54.660 53.050 -0.161 0.000 0.852 610 N CB -0.737 37.701 38.487 -0.082 0.000 1.003 610 N HN 0.446 nan 8.380 nan 0.000 0.424 611 G N 0.850 109.358 108.800 -0.486 0.000 2.421 611 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 611 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 611 G C 1.738 176.242 174.900 -0.661 0.000 1.171 611 G CA 0.849 45.292 45.100 -1.095 0.000 0.775 611 G HN 0.199 nan 8.290 nan 0.000 0.543 612 V N 0.976 120.641 119.914 -0.415 0.000 2.323 612 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 612 V C 2.882 178.918 176.094 -0.097 0.000 1.041 612 V CA 1.888 64.169 62.300 -0.031 0.000 1.025 612 V CB -0.412 31.380 31.823 -0.052 0.000 0.656 612 V HN 0.335 nan 8.190 nan 0.000 0.451 613 M N 0.346 119.763 119.600 -0.304 0.000 2.229 613 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 613 M C 2.279 178.501 176.300 -0.129 0.000 1.063 613 M CA 1.841 56.990 55.300 -0.252 0.000 1.114 613 M CB -0.805 31.557 32.600 -0.397 0.000 1.387 613 M HN 0.500 nan 8.290 nan 0.000 0.420 614 G N -0.732 107.951 108.800 -0.194 0.000 2.418 614 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 614 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 614 G C 1.186 175.947 174.900 -0.232 0.000 1.158 614 G CA 1.403 46.393 45.100 -0.183 0.000 0.771 614 G HN 0.478 nan 8.290 nan 0.000 0.545 615 H N -0.533 118.246 119.070 -0.484 0.000 2.353 615 H HA -0.042 4.514 4.556 0.000 0.000 0.300 615 H C 1.472 176.357 175.328 -0.738 0.000 1.090 615 H CA 1.343 56.910 56.048 -0.802 0.000 1.327 615 H CB -0.138 28.585 29.762 -1.731 0.000 1.383 615 H HN 0.403 nan 8.280 nan 0.000 0.508 616 Y N 0.618 120.727 120.300 -0.319 0.000 2.493 616 Y HA 0.184 4.734 4.550 -0.000 0.000 0.275 616 Y C 0.720 176.553 175.900 -0.111 0.000 1.183 616 Y CA -0.293 57.656 58.100 -0.253 0.000 1.258 616 Y CB -0.229 38.249 38.460 0.030 0.000 1.108 616 Y HN 0.039 nan 8.280 nan 0.000 0.521 617 K N 0.714 121.104 120.400 -0.018 0.000 2.504 617 K HA 0.096 4.416 4.320 -0.000 0.000 0.278 617 K C 1.288 177.895 176.600 0.011 0.000 1.025 617 K CA 1.273 57.567 56.287 0.012 0.000 1.093 617 K CB -0.248 32.224 32.500 -0.047 0.000 0.873 617 K HN 0.597 nan 8.250 nan 0.000 0.483 618 G N 3.700 112.534 108.800 0.057 0.000 2.184 618 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.264 618 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.264 618 G C 0.487 175.420 174.900 0.056 0.000 0.975 618 G CA 0.771 45.899 45.100 0.046 0.000 0.642 618 G HN 0.735 nan 8.290 nan 0.000 0.536 619 K N -0.720 119.722 120.400 0.071 0.000 2.373 619 K HA 0.367 4.687 4.320 -0.000 0.000 0.200 619 K C 0.427 177.089 176.600 0.104 0.000 1.054 619 K CA -0.080 56.268 56.287 0.101 0.000 1.065 619 K CB 0.969 33.477 32.500 0.013 0.000 0.886 619 K HN 0.316 nan 8.250 nan 0.000 0.546 620 I N 0.904 121.501 120.570 0.045 0.000 2.404 620 I HA 0.214 4.384 4.170 -0.000 0.000 0.293 620 I C 1.151 177.219 176.117 -0.081 0.000 0.992 620 I CA -0.362 60.873 61.300 -0.109 0.000 1.149 620 I CB 1.204 38.984 38.000 -0.366 0.000 1.315 620 I HN -0.030 nan 8.210 nan 0.000 0.446 621 A N 6.152 128.896 122.820 -0.128 0.000 1.855 621 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 621 A C 0.799 178.351 177.584 -0.054 0.000 1.191 621 A CA 1.147 53.136 52.037 -0.080 0.000 0.613 621 A CB 0.008 18.933 19.000 -0.126 0.000 0.829 621 A HN 0.783 nan 8.150 nan 0.000 0.442 622 Q N -3.381 116.341 119.800 -0.130 0.000 2.423 622 Q HA 0.500 4.840 4.340 -0.000 0.000 0.278 622 Q C -2.015 173.904 176.000 -0.135 0.000 1.097 622 Q CA -0.387 55.392 55.803 -0.040 0.000 0.809 622 Q CB 2.167 30.901 28.738 -0.007 0.000 1.391 622 Q HN 0.553 nan 8.270 nan 0.000 0.428 623 W N 1.157 122.479 121.300 0.036 0.000 2.683 623 W HA 0.299 4.959 4.660 -0.000 0.000 0.329 623 W C -0.810 175.719 176.519 0.017 0.000 1.037 623 W CA -0.471 56.887 57.345 0.021 0.000 1.232 623 W CB 1.679 31.142 29.460 0.006 0.000 1.390 623 W HN 0.450 nan 8.180 nan 0.000 0.465 624 D N 3.594 124.187 120.400 0.321 0.000 2.470 624 D HA 0.046 4.686 4.640 -0.000 0.000 0.226 624 D C 1.196 177.576 176.300 0.133 0.000 1.196 624 D CA 0.282 54.383 54.000 0.168 0.000 0.979 624 D CB 1.167 42.053 40.800 0.145 0.000 1.059 624 D HN 0.122 nan 8.370 nan 0.000 0.515 625 V N 1.871 121.798 119.914 0.023 0.000 2.295 625 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 625 V C 1.110 177.105 176.094 -0.164 0.000 1.049 625 V CA 1.086 63.260 62.300 -0.210 0.000 1.024 625 V CB 0.056 31.436 31.823 -0.740 0.000 0.648 625 V HN 0.260 nan 8.190 nan 0.000 0.447 626 V N 0.454 120.307 119.914 -0.103 0.000 2.604 626 V HA 0.508 4.628 4.120 -0.000 0.000 0.305 626 V C -0.775 175.287 176.094 -0.054 0.000 1.043 626 V CA -0.727 61.624 62.300 0.085 0.000 0.888 626 V CB 1.818 33.803 31.823 0.270 0.000 0.995 626 V HN 0.457 nan 8.190 nan 0.000 0.429 627 N N 1.958 120.634 118.700 -0.040 0.000 2.258 627 N HA 0.384 5.124 4.740 -0.000 0.000 0.299 627 N C -0.420 175.102 175.510 0.021 0.000 1.047 627 N CA -0.526 52.337 53.050 -0.312 0.000 0.814 627 N CB 1.477 39.483 38.487 -0.801 0.000 1.413 627 N HN 0.751 nan 8.380 nan 0.000 0.478 628 E N 1.071 121.265 120.200 -0.009 0.000 2.210 628 E HA -0.261 4.089 4.350 -0.000 0.000 0.201 628 E C -0.161 176.740 176.600 0.501 0.000 1.339 628 E CA 0.570 57.148 56.400 0.296 0.000 0.699 628 E CB -1.407 28.640 29.700 0.578 0.000 1.126 628 E HN 0.575 nan 8.360 nan 0.000 0.355 629 A N -0.001 123.191 122.820 0.620 0.000 2.178 629 A HA 0.213 4.533 4.320 -0.000 0.000 0.211 629 A C 0.330 178.084 177.584 0.284 0.000 1.157 629 A CA 0.336 52.731 52.037 0.598 0.000 0.780 629 A CB 0.267 19.634 19.000 0.612 0.000 0.828 629 A HN 0.233 nan 8.150 nan 0.000 0.476 630 F N -0.559 119.514 119.950 0.205 0.000 2.432 630 F HA 0.523 5.050 4.527 -0.000 0.000 0.329 630 F C 0.979 176.800 175.800 0.036 0.000 1.076 630 F CA -0.807 57.249 58.000 0.093 0.000 1.018 630 F CB 1.477 40.514 39.000 0.062 0.000 1.201 630 F HN -0.050 nan 8.300 nan 0.000 0.489 631 S N 0.231 116.012 115.700 0.135 0.000 2.632 631 S HA 0.182 4.652 4.470 -0.000 0.000 0.267 631 S C 0.262 174.933 174.600 0.118 0.000 1.276 631 S CA -0.592 57.660 58.200 0.087 0.000 0.998 631 S CB 0.476 63.699 63.200 0.037 0.000 0.953 631 S HN 0.603 nan 8.310 nan 0.000 0.547 632 D N 1.026 121.493 120.400 0.112 0.000 2.402 632 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 632 D C 0.448 176.790 176.300 0.071 0.000 1.128 632 D CA 0.125 54.206 54.000 0.135 0.000 0.833 632 D CB 0.157 41.084 40.800 0.212 0.000 0.971 632 D HN 0.730 nan 8.370 nan 0.000 0.503 633 D N -0.240 120.188 120.400 0.046 0.000 2.363 633 D HA 0.023 4.663 4.640 -0.000 0.000 0.226 633 D C 1.618 177.908 176.300 -0.016 0.000 1.020 633 D CA 0.665 54.672 54.000 0.012 0.000 0.892 633 D CB -0.117 40.689 40.800 0.009 0.000 0.900 633 D HN 0.157 nan 8.370 nan 0.000 0.531 634 G N -0.107 108.681 108.800 -0.019 0.000 2.176 634 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.253 634 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.253 634 G C 1.170 176.053 174.900 -0.028 0.000 0.979 634 G CA 0.791 45.857 45.100 -0.058 0.000 0.641 634 G HN 0.710 nan 8.290 nan 0.000 0.530 635 S N -0.308 115.393 115.700 0.003 0.000 2.501 635 S HA 0.399 4.869 4.470 -0.000 0.000 0.220 635 S C 2.278 176.903 174.600 0.040 0.000 0.997 635 S CA 1.431 59.638 58.200 0.011 0.000 0.919 635 S CB 0.139 63.345 63.200 0.011 0.000 0.778 635 S HN 2.351 nan 8.310 nan 0.000 0.523 636 G N 0.517 109.365 108.800 0.080 0.000 2.143 636 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.248 636 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.248 636 G C 0.378 175.420 174.900 0.236 0.000 0.991 636 G CA 0.092 45.280 45.100 0.147 0.000 0.689 636 G HN 1.081 nan 8.290 nan 0.000 0.522 637 G N -1.186 107.694 108.800 0.134 0.000 2.642 637 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 637 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 637 G C 0.107 174.888 174.900 -0.197 0.000 1.345 637 G CA -0.946 44.161 45.100 0.011 0.000 1.043 637 G HN 0.310 nan 8.290 nan 0.000 0.528 638 R N 0.035 120.323 120.500 -0.354 0.000 2.594 638 R HA 0.166 4.506 4.340 -0.000 0.000 0.272 638 R C 0.562 176.761 176.300 -0.169 0.000 1.074 638 R CA -0.455 55.385 56.100 -0.433 0.000 1.105 638 R CB 0.724 30.863 30.300 -0.267 0.000 1.008 638 R HN 0.606 nan 8.270 nan 0.000 0.472 639 R N 1.502 121.935 120.500 -0.110 0.000 2.442 639 R HA -0.055 4.285 4.340 -0.000 0.000 0.291 639 R C -0.576 175.682 176.300 -0.071 0.000 1.069 639 R CA -0.134 55.924 56.100 -0.069 0.000 1.022 639 R CB 0.371 30.619 30.300 -0.088 0.000 0.976 639 R HN 0.447 nan 8.270 nan 0.000 0.443 640 D N 3.056 123.411 120.400 -0.075 0.000 2.435 640 D HA 0.065 4.705 4.640 -0.000 0.000 0.230 640 D C -0.881 175.360 176.300 -0.099 0.000 1.215 640 D CA 0.027 53.983 54.000 -0.072 0.000 0.947 640 D CB 0.436 41.204 40.800 -0.053 0.000 1.048 640 D HN 0.528 nan 8.370 nan 0.000 0.512 641 S N 2.439 118.062 115.700 -0.127 0.000 2.709 641 S HA 0.322 4.792 4.470 -0.000 0.000 0.302 641 S C 1.258 175.747 174.600 -0.186 0.000 1.127 641 S CA -0.823 57.289 58.200 -0.147 0.000 0.905 641 S CB 1.096 64.207 63.200 -0.149 0.000 1.151 641 S HN 0.357 nan 8.310 nan 0.000 0.510 642 N N 1.080 119.671 118.700 -0.183 0.000 2.149 642 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 642 N C 1.530 176.867 175.510 -0.289 0.000 1.019 642 N CA 1.477 54.412 53.050 -0.192 0.000 0.857 642 N CB -1.107 37.280 38.487 -0.166 0.000 0.997 642 N HN 0.647 nan 8.380 nan 0.000 0.426 643 L N -0.216 120.733 121.223 -0.456 0.000 2.017 643 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 643 L C 2.817 179.092 176.870 -0.990 0.000 1.073 643 L CA 1.511 55.857 54.840 -0.823 0.000 0.745 643 L CB -0.581 40.662 42.059 -1.360 0.000 0.894 643 L HN 0.224 nan 8.230 nan 0.000 0.432 644 Q N 0.621 119.955 119.800 -0.777 0.000 2.170 644 Q HA -0.188 4.152 4.340 -0.000 0.000 0.203 644 Q C 2.119 178.040 176.000 -0.132 0.000 0.976 644 Q CA 1.578 57.191 55.803 -0.316 0.000 0.858 644 Q CB -0.088 28.621 28.738 -0.049 0.000 0.907 644 Q HN 0.299 nan 8.270 nan 0.000 0.433 645 R N -0.607 119.797 120.500 -0.160 0.000 2.280 645 R HA -0.028 4.312 4.340 -0.000 0.000 0.207 645 R C 2.027 178.292 176.300 -0.059 0.000 1.043 645 R CA 1.370 57.420 56.100 -0.084 0.000 1.006 645 R CB -0.260 29.988 30.300 -0.087 0.000 0.885 645 R HN 0.483 nan 8.270 nan 0.000 0.467 646 T N -2.673 111.829 114.554 -0.087 0.000 3.055 646 T HA 0.171 4.521 4.350 -0.000 0.000 0.265 646 T C 0.843 175.571 174.700 0.048 0.000 1.111 646 T CA 0.525 62.611 62.100 -0.024 0.000 1.118 646 T CB 0.502 69.352 68.868 -0.031 0.000 0.909 646 T HN 0.320 nan 8.240 nan 0.000 0.501 647 G N 0.608 109.459 108.800 0.085 0.000 2.306 647 G HA2 0.070 4.030 3.960 -0.000 0.000 0.340 647 G HA3 0.070 4.030 3.960 -0.000 0.000 0.340 647 G C -0.157 174.905 174.900 0.270 0.000 1.630 647 G CA -0.291 44.894 45.100 0.142 0.000 0.937 647 G HN 0.078 nan 8.290 nan 0.000 0.693 648 N N 0.275 119.099 118.700 0.206 0.000 2.364 648 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 648 N C 1.810 177.441 175.510 0.201 0.000 1.022 648 N CA 1.971 55.153 53.050 0.221 0.000 0.883 648 N CB 0.176 38.730 38.487 0.112 0.000 0.965 648 N HN 0.631 nan 8.380 nan 0.000 0.438 649 D N -0.311 120.202 120.400 0.188 0.000 2.349 649 D HA -0.132 4.508 4.640 -0.000 0.000 0.224 649 D C 1.758 178.159 176.300 0.169 0.000 1.029 649 D CA -0.006 54.076 54.000 0.136 0.000 0.879 649 D CB -0.942 39.921 40.800 0.104 0.000 0.906 649 D HN 0.576 nan 8.370 nan 0.000 0.528 650 W N 1.633 122.992 121.300 0.098 0.000 2.342 650 W HA -0.155 4.505 4.660 -0.000 0.000 0.297 650 W C 1.538 178.153 176.519 0.159 0.000 1.213 650 W CA 0.257 57.666 57.345 0.106 0.000 1.251 650 W CB -1.091 28.424 29.460 0.092 0.000 1.136 650 W HN -0.074 nan 8.180 nan 0.000 0.526 651 I N 1.368 121.582 120.570 -0.593 0.000 2.142 651 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 651 I C 2.803 178.965 176.117 0.074 0.000 1.078 651 I CA 2.277 63.317 61.300 -0.432 0.000 1.343 651 I CB -0.859 36.906 38.000 -0.393 0.000 1.046 651 I HN 0.025 nan 8.210 nan 0.000 0.405 652 E N 1.116 121.312 120.200 -0.006 0.000 2.085 652 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 652 E C 2.305 178.864 176.600 -0.068 0.000 0.994 652 E CA 1.678 57.922 56.400 -0.259 0.000 0.801 652 E CB 0.111 29.644 29.700 -0.277 0.000 0.743 652 E HN 0.271 nan 8.360 nan 0.000 0.453 653 V N 1.179 121.104 119.914 0.018 0.000 2.343 653 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 653 V C 2.472 178.603 176.094 0.061 0.000 1.051 653 V CA 1.753 64.084 62.300 0.052 0.000 1.036 653 V CB -0.792 31.093 31.823 0.104 0.000 0.654 653 V HN 0.460 nan 8.190 nan 0.000 0.451 654 A N -0.395 122.473 122.820 0.081 0.000 1.883 654 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 654 A C 2.049 179.573 177.584 -0.101 0.000 1.186 654 A CA 2.034 54.076 52.037 0.008 0.000 0.624 654 A CB -0.764 18.232 19.000 -0.006 0.000 0.822 654 A HN 0.470 nan 8.150 nan 0.000 0.444 655 F N -0.290 119.638 119.950 -0.037 0.000 2.146 655 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 655 F C 2.620 178.383 175.800 -0.062 0.000 1.096 655 F CA 1.710 59.682 58.000 -0.047 0.000 1.275 655 F CB -0.248 38.691 39.000 -0.100 0.000 1.008 655 F HN 0.096 nan 8.300 nan 0.000 0.480 656 R N -0.579 119.970 120.500 0.081 0.000 2.096 656 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 656 R C 2.090 178.398 176.300 0.012 0.000 1.127 656 R CA 1.852 57.967 56.100 0.025 0.000 0.968 656 R CB -0.943 29.352 30.300 -0.008 0.000 0.861 656 R HN 0.215 nan 8.270 nan 0.000 0.440 657 T N 0.870 115.426 114.554 0.003 0.000 2.746 657 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 657 T C 1.948 176.622 174.700 -0.044 0.000 1.039 657 T CA 1.421 63.513 62.100 -0.014 0.000 1.142 657 T CB -0.218 68.646 68.868 -0.006 0.000 0.866 657 T HN 0.375 nan 8.240 nan 0.000 0.444 658 A N 1.801 124.578 122.820 -0.072 0.000 1.902 658 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 658 A C 2.247 179.808 177.584 -0.039 0.000 1.181 658 A CA 1.965 53.937 52.037 -0.108 0.000 0.623 658 A CB -0.550 18.348 19.000 -0.170 0.000 0.818 658 A HN 0.331 nan 8.150 nan 0.000 0.443 659 R N 0.325 120.834 120.500 0.015 0.000 2.091 659 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 659 R C 2.092 178.400 176.300 0.013 0.000 1.136 659 R CA 2.126 58.248 56.100 0.037 0.000 0.959 659 R CB -0.882 29.450 30.300 0.052 0.000 0.856 659 R HN 0.393 nan 8.270 nan 0.000 0.437 660 A N 0.045 122.864 122.820 -0.002 0.000 1.930 660 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 660 A C 2.368 179.939 177.584 -0.022 0.000 1.175 660 A CA 1.577 53.609 52.037 -0.009 0.000 0.627 660 A CB -0.978 18.016 19.000 -0.010 0.000 0.815 660 A HN 0.491 nan 8.150 nan 0.000 0.443 661 A N -1.337 121.457 122.820 -0.043 0.000 1.933 661 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 661 A C 0.963 178.518 177.584 -0.049 0.000 1.175 661 A CA 1.782 53.779 52.037 -0.067 0.000 0.628 661 A CB -0.073 18.855 19.000 -0.119 0.000 0.814 661 A HN 0.398 nan 8.150 nan 0.000 0.444 662 D N -2.434 117.952 120.400 -0.023 0.000 2.445 662 D HA 0.189 4.829 4.640 -0.000 0.000 0.236 662 D C -2.404 173.924 176.300 0.046 0.000 1.315 662 D CA -1.210 52.801 54.000 0.019 0.000 0.924 662 D CB 1.062 41.895 40.800 0.055 0.000 1.447 662 D HN 0.027 nan 8.370 nan 0.000 0.532 663 P HA -0.032 nan 4.420 nan 0.000 0.231 663 P C 0.939 178.276 177.300 0.061 0.000 1.158 663 P CA 0.363 63.491 63.100 0.046 0.000 0.763 663 P CB 0.376 32.095 31.700 0.031 0.000 0.805 664 A N -0.370 122.490 122.820 0.066 0.000 2.132 664 A HA 0.397 4.717 4.320 -0.000 0.000 0.213 664 A C 1.429 179.070 177.584 0.094 0.000 1.154 664 A CA 0.402 52.481 52.037 0.070 0.000 0.753 664 A CB -0.543 18.493 19.000 0.059 0.000 0.826 664 A HN 0.296 nan 8.150 nan 0.000 0.469 665 A N 0.286 123.185 122.820 0.132 0.000 2.316 665 A HA 0.539 4.859 4.320 -0.000 0.000 0.284 665 A C -0.009 177.676 177.584 0.168 0.000 1.115 665 A CA -0.542 51.599 52.037 0.173 0.000 0.812 665 A CB 0.260 19.453 19.000 0.322 0.000 1.064 665 A HN 0.357 nan 8.150 nan 0.000 0.489 666 K N 1.379 121.872 120.400 0.154 0.000 2.339 666 K HA 0.362 4.682 4.320 -0.000 0.000 0.286 666 K C -1.036 175.695 176.600 0.219 0.000 1.050 666 K CA 0.196 56.580 56.287 0.160 0.000 0.956 666 K CB 0.608 33.187 32.500 0.132 0.000 0.990 666 K HN 0.555 nan 8.250 nan 0.000 0.475 667 L N 4.191 125.569 121.223 0.257 0.000 2.257 667 L HA 0.313 4.653 4.340 -0.000 0.000 0.290 667 L C -0.402 176.740 176.870 0.452 0.000 1.044 667 L CA -0.874 54.180 54.840 0.356 0.000 0.810 667 L CB 0.897 43.216 42.059 0.433 0.000 1.193 667 L HN 0.668 nan 8.230 nan 0.000 0.425 668 c N 2.089 120.926 118.600 0.394 0.000 2.454 668 c HA 0.458 5.028 4.570 -0.000 0.000 0.336 668 c C -0.197 174.171 174.090 0.464 0.000 1.189 668 c CA -0.884 55.657 56.329 0.353 0.000 1.877 668 c CB 1.419 44.033 42.510 0.173 0.000 2.348 668 c HN 0.618 nan 8.230 nan 0.000 0.508 669 Y N 2.526 123.006 120.300 0.299 0.000 2.331 669 Y HA 0.523 5.073 4.550 -0.000 0.000 0.338 669 Y C -0.250 175.646 175.900 -0.005 0.000 0.992 669 Y CA -0.319 57.938 58.100 0.262 0.000 1.121 669 Y CB 0.497 39.047 38.460 0.151 0.000 1.184 669 Y HN 0.783 nan 8.280 nan 0.000 0.469 670 N N 4.258 122.481 118.700 -0.794 0.000 2.321 670 N HA 0.431 5.171 4.740 -0.000 0.000 0.299 670 N C -1.976 173.087 175.510 -0.744 0.000 1.048 670 N CA -0.301 52.379 53.050 -0.617 0.000 0.836 670 N CB 1.279 39.566 38.487 -0.332 0.000 1.269 670 N HN 0.770 nan 8.380 nan 0.000 0.486 671 D N 0.208 120.310 120.400 -0.496 0.000 2.639 671 D HA 0.250 4.890 4.640 -0.000 0.000 0.271 671 D C -1.452 174.749 176.300 -0.165 0.000 1.254 671 D CA -0.287 53.531 54.000 -0.304 0.000 0.810 671 D CB 0.925 41.594 40.800 -0.218 0.000 1.351 671 D HN 0.419 nan 8.370 nan 0.000 0.427 672 Y N -0.433 119.838 120.300 -0.047 0.000 2.587 672 Y HA 0.522 5.072 4.550 0.000 0.000 0.337 672 Y C 0.657 176.570 175.900 0.022 0.000 1.065 672 Y CA -0.911 57.171 58.100 -0.030 0.000 1.126 672 Y CB 0.598 39.110 38.460 0.087 0.000 1.279 672 Y HN 0.588 nan 8.280 nan 0.000 0.489 673 N N 0.610 119.398 118.700 0.148 0.000 2.725 673 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 673 N C -0.185 175.312 175.510 -0.021 0.000 1.103 673 N CA 0.939 54.008 53.050 0.032 0.000 0.707 673 N CB -1.033 37.653 38.487 0.332 0.000 1.043 673 N HN 0.791 nan 8.380 nan 0.000 0.553 674 I N -3.909 116.656 120.570 -0.008 0.000 3.833 674 I HA 0.289 4.459 4.170 -0.000 0.000 0.328 674 I C 0.748 177.038 176.117 0.289 0.000 1.554 674 I CA -0.439 60.923 61.300 0.103 0.000 1.116 674 I CB 0.566 38.585 38.000 0.032 0.000 1.182 674 I HN -0.143 nan 8.210 nan 0.000 0.459 675 E N 1.063 121.332 120.200 0.116 0.000 2.166 675 E HA 0.073 4.423 4.350 -0.000 0.000 0.192 675 E C 0.747 177.452 176.600 0.174 0.000 0.967 675 E CA 0.329 56.848 56.400 0.199 0.000 0.840 675 E CB 0.026 29.608 29.700 -0.196 0.000 0.795 675 E HN 0.352 nan 8.360 nan 0.000 0.470 676 N N 0.963 119.575 118.700 -0.146 0.000 2.420 676 N HA -0.082 4.658 4.740 -0.000 0.000 0.262 676 N C 0.215 175.772 175.510 0.077 0.000 1.144 676 N CA -0.034 52.924 53.050 -0.153 0.000 0.952 676 N CB 0.287 38.414 38.487 -0.600 0.000 1.081 676 N HN 0.285 nan 8.380 nan 0.000 0.480 677 W N 3.699 125.035 121.300 0.059 0.000 2.325 677 W HA -0.231 4.429 4.660 -0.000 0.000 0.299 677 W C 1.304 177.900 176.519 0.129 0.000 1.215 677 W CA 2.075 59.475 57.345 0.093 0.000 1.244 677 W CB -0.102 29.377 29.460 0.031 0.000 1.140 677 W HN 0.634 nan 8.180 nan 0.000 0.523 678 T N -2.574 112.010 114.554 0.049 0.000 3.072 678 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 678 T C 0.298 175.052 174.700 0.089 0.000 1.127 678 T CA 0.177 62.285 62.100 0.012 0.000 1.107 678 T CB -0.702 68.264 68.868 0.162 0.000 0.910 678 T HN -0.032 nan 8.240 nan 0.000 0.513 679 W N 1.334 122.538 121.300 -0.160 0.000 2.190 679 W HA 0.683 5.343 4.660 -0.000 0.000 0.330 679 W C 1.569 177.989 176.519 -0.166 0.000 1.299 679 W CA -1.122 56.159 57.345 -0.108 0.000 1.215 679 W CB 0.325 29.767 29.460 -0.029 0.000 1.147 679 W HN 0.181 nan 8.180 nan 0.000 0.563 680 A N 3.142 125.982 122.820 0.033 0.000 1.933 680 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 680 A C 2.057 179.662 177.584 0.035 0.000 1.175 680 A CA 1.815 53.843 52.037 -0.015 0.000 0.628 680 A CB -0.487 18.499 19.000 -0.023 0.000 0.814 680 A HN 0.722 nan 8.150 nan 0.000 0.444 681 K N -0.825 119.649 120.400 0.124 0.000 2.026 681 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 681 K C 2.070 178.680 176.600 0.016 0.000 1.048 681 K CA 1.912 58.276 56.287 0.128 0.000 0.929 681 K CB -0.379 32.243 32.500 0.203 0.000 0.713 681 K HN 0.465 nan 8.250 nan 0.000 0.439 682 T N 1.375 115.970 114.554 0.068 0.000 2.665 682 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 682 T C 1.830 176.517 174.700 -0.022 0.000 1.035 682 T CA 1.657 63.801 62.100 0.073 0.000 1.151 682 T CB -0.203 68.707 68.868 0.071 0.000 0.862 682 T HN 0.401 nan 8.240 nan 0.000 0.438 683 Q N 0.082 119.735 119.800 -0.244 0.000 2.172 683 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 683 Q C 2.764 178.712 176.000 -0.086 0.000 0.964 683 Q CA 1.061 56.687 55.803 -0.294 0.000 0.855 683 Q CB -0.333 28.146 28.738 -0.431 0.000 0.918 683 Q HN 0.609 nan 8.270 nan 0.000 0.444 684 G N 0.297 109.042 108.800 -0.092 0.000 2.402 684 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 684 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 684 G C 1.493 176.151 174.900 -0.403 0.000 1.162 684 G CA 0.654 45.724 45.100 -0.051 0.000 0.777 684 G HN 0.190 nan 8.290 nan 0.000 0.539 685 V N -0.092 119.397 119.914 -0.708 0.000 2.358 685 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 685 V C 2.259 178.233 176.094 -0.200 0.000 1.047 685 V CA 1.710 63.530 62.300 -0.801 0.000 1.035 685 V CB -0.688 30.842 31.823 -0.489 0.000 0.658 685 V HN 0.493 nan 8.190 nan 0.000 0.452 686 Y N 2.076 122.321 120.300 -0.091 0.000 2.128 686 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 686 Y C 2.513 178.257 175.900 -0.259 0.000 1.154 686 Y CA 2.175 60.078 58.100 -0.329 0.000 1.149 686 Y CB -0.346 37.906 38.460 -0.347 0.000 0.976 686 Y HN 0.299 nan 8.280 nan 0.000 0.505 687 N N 0.181 118.819 118.700 -0.103 0.000 2.166 687 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 687 N C 2.013 177.361 175.510 -0.271 0.000 1.019 687 N CA 1.779 54.741 53.050 -0.146 0.000 0.856 687 N CB -0.576 37.905 38.487 -0.010 0.000 0.993 687 N HN 0.560 nan 8.380 nan 0.000 0.426 688 M N 0.442 119.844 119.600 -0.330 0.000 2.099 688 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 688 M C 1.574 177.399 176.300 -0.793 0.000 1.067 688 M CA 1.321 56.298 55.300 -0.538 0.000 1.124 688 M CB 0.029 32.291 32.600 -0.563 0.000 1.353 688 M HN -0.118 nan 8.290 nan 0.000 0.410 689 V N 0.766 120.303 119.914 -0.627 0.000 2.407 689 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 689 V C 2.513 178.401 176.094 -0.343 0.000 1.055 689 V CA 2.266 64.290 62.300 -0.461 0.000 1.049 689 V CB -1.107 30.597 31.823 -0.198 0.000 0.662 689 V HN 0.570 nan 8.190 nan 0.000 0.455 690 R N 0.515 120.740 120.500 -0.459 0.000 2.073 690 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 690 R C 2.148 178.338 176.300 -0.185 0.000 1.134 690 R CA 2.397 58.272 56.100 -0.375 0.000 0.952 690 R CB -0.538 29.469 30.300 -0.490 0.000 0.850 690 R HN 0.598 nan 8.270 nan 0.000 0.433 691 D N -0.399 119.898 120.400 -0.172 0.000 2.123 691 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 691 D C 1.686 178.051 176.300 0.107 0.000 0.992 691 D CA 1.310 55.286 54.000 -0.040 0.000 0.833 691 D CB -0.118 40.656 40.800 -0.043 0.000 0.954 691 D HN 0.192 nan 8.370 nan 0.000 0.455 692 F N 1.101 120.963 119.950 -0.148 0.000 2.095 692 F HA -0.097 4.430 4.527 0.000 0.000 0.298 692 F C 2.338 178.064 175.800 -0.123 0.000 1.104 692 F CA 0.984 58.893 58.000 -0.152 0.000 1.232 692 F CB -0.788 38.072 39.000 -0.234 0.000 0.987 692 F HN 0.014 nan 8.300 nan 0.000 0.475 693 K N 0.346 120.794 120.400 0.080 0.000 2.097 693 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 693 K C 1.960 178.562 176.600 0.003 0.000 1.049 693 K CA 1.021 57.317 56.287 0.014 0.000 0.933 693 K CB -0.793 31.695 32.500 -0.021 0.000 0.717 693 K HN 0.438 nan 8.250 nan 0.000 0.442 694 Q N 0.213 120.012 119.800 -0.002 0.000 2.119 694 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 694 Q C 1.811 177.814 176.000 0.005 0.000 0.972 694 Q CA 1.101 56.901 55.803 -0.004 0.000 0.847 694 Q CB 0.025 28.757 28.738 -0.010 0.000 0.903 694 Q HN 0.241 nan 8.270 nan 0.000 0.433 695 R N -1.003 119.507 120.500 0.016 0.000 2.317 695 R HA 0.101 4.441 4.340 -0.000 0.000 0.208 695 R C 0.774 177.065 176.300 -0.015 0.000 0.914 695 R CA 0.560 56.663 56.100 0.006 0.000 1.060 695 R CB 0.730 31.041 30.300 0.017 0.000 1.015 695 R HN 0.348 nan 8.270 nan 0.000 0.498 696 G N 0.985 109.775 108.800 -0.018 0.000 2.141 696 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 696 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 696 G C 0.146 175.005 174.900 -0.069 0.000 0.982 696 G CA -0.108 44.973 45.100 -0.031 0.000 0.662 696 G HN 0.122 nan 8.290 nan 0.000 0.527 697 V N 1.705 121.544 119.914 -0.125 0.000 2.521 697 V HA 0.310 4.430 4.120 -0.000 0.000 0.286 697 V C -1.389 174.587 176.094 -0.197 0.000 1.034 697 V CA -0.908 61.228 62.300 -0.273 0.000 1.045 697 V CB 1.096 32.494 31.823 -0.708 0.000 0.974 697 V HN 0.158 nan 8.190 nan 0.000 0.480 698 P HA 0.298 nan 4.420 nan 0.000 0.263 698 P C -0.530 176.774 177.300 0.007 0.000 1.247 698 P CA 0.490 63.584 63.100 -0.010 0.000 0.876 698 P CB 0.132 31.867 31.700 0.058 0.000 0.928 699 I N 2.610 123.166 120.570 -0.022 0.000 2.627 699 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 699 I C -0.341 175.812 176.117 0.060 0.000 1.202 699 I CA -0.433 60.839 61.300 -0.046 0.000 1.050 699 I CB 2.200 40.026 38.000 -0.290 0.000 1.264 699 I HN 0.097 nan 8.210 nan 0.000 0.429 700 D N 5.630 126.113 120.400 0.138 0.000 2.417 700 D HA 0.161 4.801 4.640 -0.000 0.000 0.207 700 D C 0.060 176.439 176.300 0.133 0.000 1.075 700 D CA 0.418 54.493 54.000 0.125 0.000 0.851 700 D CB 0.905 41.787 40.800 0.136 0.000 0.976 700 D HN 0.433 nan 8.370 nan 0.000 0.505 701 c N 0.011 118.705 118.600 0.157 0.000 3.285 701 c HA 0.649 5.219 4.570 -0.000 0.000 0.325 701 c C -1.695 172.474 174.090 0.131 0.000 1.304 701 c CA -0.482 55.936 56.329 0.148 0.000 1.319 701 c CB 1.233 43.834 42.510 0.151 0.000 1.640 701 c HN -0.096 nan 8.230 nan 0.000 0.477 702 V N 3.116 123.073 119.914 0.072 0.000 2.531 702 V HA 0.755 4.875 4.120 -0.000 0.000 0.301 702 V C 0.752 176.719 176.094 -0.212 0.000 1.034 702 V CA 0.383 62.613 62.300 -0.117 0.000 0.865 702 V CB 1.664 33.288 31.823 -0.330 0.000 0.995 702 V HN 1.283 nan 8.190 nan 0.000 0.424 703 G N 3.516 112.136 108.800 -0.300 0.000 2.335 703 G HA2 0.628 4.588 3.960 -0.000 0.000 0.316 703 G HA3 0.628 4.588 3.960 -0.000 0.000 0.316 703 G C -1.077 173.553 174.900 -0.450 0.000 1.129 703 G CA -0.265 44.701 45.100 -0.224 0.000 0.899 703 G HN 0.429 nan 8.290 nan 0.000 0.448 704 F N 1.443 121.327 119.950 -0.110 0.000 2.334 704 F HA 0.289 4.816 4.527 -0.000 0.000 0.367 704 F C 1.695 177.368 175.800 -0.211 0.000 1.115 704 F CA -0.605 57.330 58.000 -0.109 0.000 1.116 704 F CB 1.889 40.943 39.000 0.089 0.000 1.230 704 F HN 0.534 nan 8.300 nan 0.000 0.484 705 Q N 1.303 120.974 119.800 -0.214 0.000 2.112 705 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 705 Q C 0.725 176.350 176.000 -0.624 0.000 0.987 705 Q CA 1.618 57.148 55.803 -0.455 0.000 0.858 705 Q CB -0.131 28.360 28.738 -0.412 0.000 0.905 705 Q HN 0.791 nan 8.270 nan 0.000 0.420 706 S N 0.297 115.643 115.700 -0.590 0.000 3.706 706 S HA -0.120 4.350 4.470 -0.000 0.000 0.363 706 S C -0.808 173.134 174.600 -1.097 0.000 0.999 706 S CA 0.104 57.693 58.200 -1.018 0.000 1.143 706 S CB -1.501 61.365 63.200 -0.557 0.000 0.902 706 S HN 0.404 nan 8.310 nan 0.000 0.476 707 H N 0.539 119.235 119.070 -0.624 0.000 2.911 707 H HA 0.371 4.927 4.556 0.000 0.000 0.273 707 H C 0.015 175.119 175.328 -0.373 0.000 1.157 707 H CA -0.073 55.799 56.048 -0.293 0.000 1.402 707 H CB -0.126 29.615 29.762 -0.035 0.000 1.463 707 H HN 0.271 nan 8.280 nan 0.000 0.475 708 F N 3.075 123.055 119.950 0.050 0.000 2.421 708 F HA 0.225 4.752 4.527 -0.000 0.000 0.337 708 F C 0.662 176.474 175.800 0.019 0.000 1.105 708 F CA -0.697 57.300 58.000 -0.004 0.000 1.049 708 F CB 1.207 40.169 39.000 -0.063 0.000 1.139 708 F HN 0.559 nan 8.300 nan 0.000 0.479 709 N N -2.135 116.697 118.700 0.220 0.000 3.106 709 N HA 0.210 4.950 4.740 -0.000 0.000 0.253 709 N C 0.055 175.637 175.510 0.121 0.000 1.506 709 N CA -0.374 52.754 53.050 0.129 0.000 0.876 709 N CB 0.478 39.011 38.487 0.075 0.000 1.452 709 N HN 0.230 nan 8.380 nan 0.000 0.542 710 S N -2.090 113.662 115.700 0.088 0.000 2.442 710 S HA -0.024 4.446 4.470 -0.000 0.000 0.236 710 S C 1.669 176.336 174.600 0.112 0.000 1.007 710 S CA 1.122 59.374 58.200 0.087 0.000 0.965 710 S CB -1.189 62.049 63.200 0.063 0.000 0.773 710 S HN 0.798 nan 8.310 nan 0.000 0.504 711 G N 0.363 109.234 108.800 0.118 0.000 2.430 711 G HA2 0.186 4.146 3.960 -0.000 0.000 0.216 711 G HA3 0.186 4.146 3.960 -0.000 0.000 0.216 711 G C 0.495 175.546 174.900 0.252 0.000 1.146 711 G CA 0.411 45.604 45.100 0.154 0.000 0.793 711 G HN 0.560 nan 8.290 nan 0.000 0.537 712 S N 1.795 117.630 115.700 0.226 0.000 2.216 712 S HA 0.363 4.833 4.470 -0.000 0.000 0.156 712 S C -2.807 171.905 174.600 0.187 0.000 1.665 712 S CA -0.779 57.552 58.200 0.219 0.000 1.262 712 S CB 2.322 65.612 63.200 0.150 0.000 1.207 712 S HN 0.167 nan 8.310 nan 0.000 0.427 713 P HA 0.094 nan 4.420 nan 0.000 0.275 713 P C -0.478 176.833 177.300 0.018 0.000 1.228 713 P CA -0.369 62.803 63.100 0.119 0.000 0.786 713 P CB 0.537 32.287 31.700 0.082 0.000 0.927 714 Y N 3.067 123.159 120.300 -0.347 0.000 2.597 714 Y HA 0.148 4.698 4.550 -0.000 0.000 0.336 714 Y C 0.051 175.732 175.900 -0.365 0.000 1.216 714 Y CA 0.389 57.979 58.100 -0.850 0.000 1.463 714 Y CB 0.297 38.010 38.460 -1.245 0.000 1.303 714 Y HN 0.366 nan 8.280 nan 0.000 0.576 715 N N 2.536 120.504 118.700 -1.220 0.000 2.249 715 N HA 0.078 4.818 4.740 -0.000 0.000 0.296 715 N C 0.248 175.123 175.510 -1.059 0.000 1.051 715 N CA 0.211 52.781 53.050 -0.801 0.000 0.815 715 N CB 2.080 40.367 38.487 -0.332 0.000 1.487 715 N HN 0.831 nan 8.380 nan 0.000 0.475 716 S N 2.366 117.725 115.700 -0.569 0.000 2.440 716 S HA -0.231 4.239 4.470 -0.000 0.000 0.240 716 S C 1.191 175.717 174.600 -0.123 0.000 1.014 716 S CA 1.429 59.489 58.200 -0.234 0.000 0.980 716 S CB -0.540 62.643 63.200 -0.028 0.000 0.775 716 S HN 0.782 nan 8.310 nan 0.000 0.499 717 N N 0.977 119.609 118.700 -0.113 0.000 2.571 717 N HA -0.044 4.696 4.740 -0.000 0.000 0.189 717 N C 0.984 176.525 175.510 0.051 0.000 1.154 717 N CA 0.352 53.395 53.050 -0.011 0.000 0.907 717 N CB -1.006 37.517 38.487 0.061 0.000 0.977 717 N HN 0.438 nan 8.380 nan 0.000 0.449 718 F N 1.699 121.543 119.950 -0.178 0.000 2.202 718 F HA 0.017 4.544 4.527 0.000 0.000 0.301 718 F C 2.286 178.034 175.800 -0.087 0.000 1.082 718 F CA 0.902 58.836 58.000 -0.111 0.000 1.313 718 F CB -0.275 38.666 39.000 -0.099 0.000 1.024 718 F HN 0.087 nan 8.300 nan 0.000 0.495 719 R N -0.158 120.269 120.500 -0.123 0.000 2.081 719 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 719 R C 2.349 178.507 176.300 -0.238 0.000 1.131 719 R CA 2.039 57.997 56.100 -0.237 0.000 0.960 719 R CB -0.596 29.640 30.300 -0.107 0.000 0.856 719 R HN 0.481 nan 8.270 nan 0.000 0.436 720 T N -2.613 111.833 114.554 -0.180 0.000 2.867 720 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 720 T C 1.797 176.325 174.700 -0.287 0.000 1.057 720 T CA 1.652 63.602 62.100 -0.251 0.000 1.136 720 T CB -0.353 68.338 68.868 -0.293 0.000 0.874 720 T HN 0.155 nan 8.240 nan 0.000 0.466 721 T N 2.484 116.967 114.554 -0.118 0.000 2.708 721 T HA 0.093 4.443 4.350 -0.000 0.000 0.266 721 T C 1.887 176.623 174.700 0.060 0.000 1.037 721 T CA 1.434 63.618 62.100 0.139 0.000 1.146 721 T CB -0.512 68.570 68.868 0.357 0.000 0.865 721 T HN 0.310 nan 8.240 nan 0.000 0.435 722 L N 0.699 121.720 121.223 -0.336 0.000 2.046 722 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 722 L C 2.904 179.713 176.870 -0.102 0.000 1.077 722 L CA 1.474 56.086 54.840 -0.379 0.000 0.747 722 L CB -0.642 41.030 42.059 -0.645 0.000 0.896 722 L HN 0.342 nan 8.230 nan 0.000 0.432 723 Q N -0.296 119.414 119.800 -0.151 0.000 2.084 723 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 723 Q C 2.055 178.014 176.000 -0.067 0.000 0.978 723 Q CA 1.383 57.121 55.803 -0.108 0.000 0.844 723 Q CB -0.160 28.487 28.738 -0.153 0.000 0.898 723 Q HN 0.489 nan 8.270 nan 0.000 0.426 724 N N 0.321 118.941 118.700 -0.132 0.000 2.069 724 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 724 N C 1.520 177.100 175.510 0.116 0.000 1.031 724 N CA 1.269 54.221 53.050 -0.164 0.000 0.852 724 N CB -0.404 37.715 38.487 -0.613 0.000 1.018 724 N HN 0.173 nan 8.380 nan 0.000 0.423 725 F N 1.298 121.376 119.950 0.214 0.000 2.146 725 F HA -0.027 4.500 4.527 0.000 0.000 0.298 725 F C 2.402 178.278 175.800 0.128 0.000 1.096 725 F CA 1.003 59.160 58.000 0.261 0.000 1.275 725 F CB -0.608 38.612 39.000 0.367 0.000 1.008 725 F HN 0.014 nan 8.300 nan 0.000 0.480 726 A N -0.008 122.963 122.820 0.251 0.000 1.978 726 A HA -0.120 4.199 4.320 -0.000 0.000 0.220 726 A C 2.318 179.950 177.584 0.080 0.000 1.170 726 A CA 1.666 53.782 52.037 0.132 0.000 0.636 726 A CB -1.236 17.800 19.000 0.061 0.000 0.810 726 A HN 0.309 nan 8.150 nan 0.000 0.448 727 A N -0.657 122.199 122.820 0.061 0.000 2.121 727 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 727 A C 1.857 179.456 177.584 0.025 0.000 1.154 727 A CA 0.969 53.023 52.037 0.028 0.000 0.679 727 A CB -0.452 18.552 19.000 0.007 0.000 0.795 727 A HN 0.478 nan 8.150 nan 0.000 0.458 728 L N -1.360 119.881 121.223 0.030 0.000 2.554 728 L HA 0.156 4.496 4.340 -0.000 0.000 0.226 728 L C 1.542 178.413 176.870 0.001 0.000 1.137 728 L CA 0.611 55.436 54.840 -0.025 0.000 0.863 728 L CB -0.175 41.816 42.059 -0.114 0.000 0.985 728 L HN 0.568 nan 8.230 nan 0.000 0.451 729 G N 0.775 109.595 108.800 0.033 0.000 2.140 729 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.211 729 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.211 729 G C -0.007 174.926 174.900 0.056 0.000 1.013 729 G CA 0.028 45.149 45.100 0.036 0.000 0.705 729 G HN 0.215 nan 8.290 nan 0.000 0.508 730 V N -3.187 116.778 119.914 0.086 0.000 3.001 730 V HA 0.880 5.000 4.120 -0.000 0.000 0.314 730 V C -0.184 175.984 176.094 0.123 0.000 1.099 730 V CA -1.513 60.851 62.300 0.108 0.000 0.989 730 V CB 2.128 34.032 31.823 0.135 0.000 1.040 730 V HN 0.035 nan 8.190 nan 0.000 0.434 731 D N 1.370 121.841 120.400 0.118 0.000 2.354 731 D HA 0.603 5.242 4.640 -0.000 0.000 0.247 731 D C -0.058 176.331 176.300 0.147 0.000 1.138 731 D CA 0.109 54.178 54.000 0.114 0.000 0.958 731 D CB 2.043 42.907 40.800 0.106 0.000 1.144 731 D HN 0.940 nan 8.370 nan 0.000 0.458 732 V N -2.854 117.143 119.914 0.139 0.000 2.914 732 V HA 0.948 5.068 4.120 -0.000 0.000 0.314 732 V C -0.850 175.336 176.094 0.153 0.000 1.084 732 V CA -0.945 61.477 62.300 0.204 0.000 0.963 732 V CB 1.524 33.471 31.823 0.207 0.000 1.025 732 V HN 0.685 nan 8.190 nan 0.000 0.432 733 A N 3.565 126.516 122.820 0.219 0.000 2.549 733 A HA 0.867 5.187 4.320 -0.000 0.000 0.297 733 A C -0.994 176.711 177.584 0.202 0.000 1.061 733 A CA -0.696 51.431 52.037 0.151 0.000 0.690 733 A CB 1.615 20.714 19.000 0.166 0.000 1.287 733 A HN 0.961 nan 8.150 nan 0.000 0.402 734 I N 2.648 123.286 120.570 0.115 0.000 2.291 734 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 734 I C 1.485 177.617 176.117 0.024 0.000 1.050 734 I CA -0.003 61.368 61.300 0.119 0.000 1.245 734 I CB 1.560 39.628 38.000 0.112 0.000 1.405 734 I HN 0.907 nan 8.210 nan 0.000 0.478 735 T N 0.857 115.387 114.554 -0.040 0.000 3.044 735 T HA 0.156 4.506 4.350 -0.000 0.000 0.255 735 T C 0.820 175.399 174.700 -0.202 0.000 1.073 735 T CA 0.385 62.417 62.100 -0.113 0.000 1.125 735 T CB 0.081 68.836 68.868 -0.188 0.000 0.908 735 T HN 0.559 nan 8.240 nan 0.000 0.480 736 E N 0.912 120.895 120.200 -0.361 0.000 4.120 736 E HA 0.324 4.674 4.350 -0.000 0.000 0.202 736 E C -1.132 175.257 176.600 -0.352 0.000 1.067 736 E CA -0.486 55.634 56.400 -0.466 0.000 1.424 736 E CB 0.718 29.669 29.700 -1.249 0.000 1.164 736 E HN 0.221 nan 8.360 nan 0.000 0.439 737 L N 2.945 124.105 121.223 -0.104 0.000 2.513 737 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 737 L C -0.691 176.300 176.870 0.202 0.000 1.187 737 L CA 0.742 55.577 54.840 -0.009 0.000 0.895 737 L CB 0.092 42.210 42.059 0.098 0.000 1.147 737 L HN 0.178 nan 8.230 nan 0.000 0.483 738 D N 4.091 124.598 120.400 0.178 0.000 2.836 738 D HA 0.414 5.054 4.640 -0.000 0.000 0.215 738 D C -1.018 175.388 176.300 0.177 0.000 1.255 738 D CA -0.321 53.864 54.000 0.307 0.000 0.822 738 D CB 0.378 41.470 40.800 0.487 0.000 1.656 738 D HN 0.394 nan 8.370 nan 0.000 0.511 739 I N 1.042 121.675 120.570 0.105 0.000 2.439 739 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 739 I C 0.016 176.199 176.117 0.111 0.000 1.021 739 I CA -0.924 60.406 61.300 0.050 0.000 1.091 739 I CB 2.010 39.867 38.000 -0.238 0.000 1.242 739 I HN 0.396 nan 8.210 nan 0.000 0.439 740 Q N 5.330 125.195 119.800 0.109 0.000 2.264 740 Q HA 0.106 4.446 4.340 -0.000 0.000 0.296 740 Q C 1.144 177.188 176.000 0.075 0.000 1.103 740 Q CA 1.471 57.324 55.803 0.084 0.000 0.967 740 Q CB 0.331 29.107 28.738 0.063 0.000 1.090 740 Q HN 1.022 nan 8.270 nan 0.000 0.379 741 G N 3.158 112.006 108.800 0.081 0.000 2.217 741 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.246 741 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.246 741 G C 0.523 175.479 174.900 0.093 0.000 0.990 741 G CA 0.147 45.288 45.100 0.067 0.000 0.627 741 G HN 1.865 nan 8.290 nan 0.000 0.522 742 A N -0.916 121.998 122.820 0.156 0.000 2.704 742 A HA 0.060 4.380 4.320 -0.000 0.000 0.299 742 A C 1.358 179.076 177.584 0.224 0.000 1.507 742 A CA 1.879 54.090 52.037 0.291 0.000 0.776 742 A CB -1.984 17.179 19.000 0.270 0.000 1.027 742 A HN 2.489 nan 8.150 nan 0.000 0.475 743 S N -0.167 115.600 115.700 0.112 0.000 2.563 743 S HA 0.270 4.740 4.470 -0.000 0.000 0.294 743 S C 1.537 176.193 174.600 0.094 0.000 1.279 743 S CA 0.478 58.706 58.200 0.047 0.000 1.069 743 S CB 0.503 63.696 63.200 -0.012 0.000 0.828 743 S HN 1.015 nan 8.310 nan 0.000 0.497 744 S N 4.104 119.818 115.700 0.022 0.000 2.382 744 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 744 S C 2.188 176.800 174.600 0.019 0.000 1.027 744 S CA 1.504 59.716 58.200 0.021 0.000 0.991 744 S CB -0.383 62.774 63.200 -0.073 0.000 0.823 744 S HN 0.797 nan 8.310 nan 0.000 0.469 745 S N 1.154 116.838 115.700 -0.026 0.000 2.368 745 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 745 S C 2.109 176.649 174.600 -0.099 0.000 1.029 745 S CA 1.477 59.651 58.200 -0.043 0.000 0.988 745 S CB -0.575 62.600 63.200 -0.041 0.000 0.838 745 S HN 0.590 nan 8.310 nan 0.000 0.462 746 T N 0.652 115.121 114.554 -0.141 0.000 2.821 746 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 746 T C 1.477 175.963 174.700 -0.357 0.000 1.046 746 T CA 1.003 62.895 62.100 -0.347 0.000 1.139 746 T CB -0.367 68.301 68.868 -0.334 0.000 0.871 746 T HN 0.345 nan 8.240 nan 0.000 0.454 747 Y N 1.540 121.742 120.300 -0.163 0.000 2.200 747 Y HA 0.060 4.610 4.550 -0.000 0.000 0.290 747 Y C 2.663 178.512 175.900 -0.084 0.000 1.137 747 Y CA 0.598 58.649 58.100 -0.082 0.000 1.163 747 Y CB -0.650 37.799 38.460 -0.018 0.000 0.988 747 Y HN 0.201 nan 8.280 nan 0.000 0.518 748 A N -0.456 122.405 122.820 0.068 0.000 1.930 748 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 748 A C 2.412 179.976 177.584 -0.034 0.000 1.175 748 A CA 1.518 53.566 52.037 0.020 0.000 0.627 748 A CB -1.167 17.835 19.000 0.003 0.000 0.815 748 A HN 0.396 nan 8.150 nan 0.000 0.443 749 A N -0.437 122.300 122.820 -0.138 0.000 1.877 749 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 749 A C 2.213 179.699 177.584 -0.163 0.000 1.186 749 A CA 1.832 53.758 52.037 -0.186 0.000 0.620 749 A CB -0.935 17.839 19.000 -0.377 0.000 0.822 749 A HN 0.383 nan 8.150 nan 0.000 0.443 750 V N -0.279 119.466 119.914 -0.280 0.000 2.343 750 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 750 V C 2.733 178.894 176.094 0.112 0.000 1.051 750 V CA 2.428 64.712 62.300 -0.027 0.000 1.036 750 V CB -1.237 30.555 31.823 -0.053 0.000 0.654 750 V HN 0.609 nan 8.190 nan 0.000 0.451 751 T N 0.310 114.922 114.554 0.097 0.000 2.708 751 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 751 T C 1.820 176.562 174.700 0.069 0.000 1.037 751 T CA 1.571 63.748 62.100 0.127 0.000 1.146 751 T CB -0.370 68.584 68.868 0.143 0.000 0.865 751 T HN 0.415 nan 8.240 nan 0.000 0.435 752 N N 1.293 120.018 118.700 0.041 0.000 2.309 752 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 752 N C 1.429 176.948 175.510 0.015 0.000 1.018 752 N CA 0.797 53.861 53.050 0.023 0.000 0.876 752 N CB -0.295 38.201 38.487 0.015 0.000 0.972 752 N HN 0.385 nan 8.380 nan 0.000 0.434 753 D N 0.173 120.594 120.400 0.036 0.000 2.117 753 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 753 D C 2.002 178.253 176.300 -0.083 0.000 0.982 753 D CA 0.491 54.485 54.000 -0.010 0.000 0.828 753 D CB -0.426 40.407 40.800 0.055 0.000 0.967 753 D HN 0.194 nan 8.370 nan 0.000 0.464 754 c N 0.398 118.973 118.600 -0.042 0.000 2.446 754 c HA -0.081 4.489 4.570 -0.000 0.000 0.277 754 c C 2.477 176.533 174.090 -0.056 0.000 1.275 754 c CA 0.295 56.582 56.329 -0.070 0.000 1.727 754 c CB -1.072 41.420 42.510 -0.030 0.000 2.010 754 c HN 0.182 nan 8.230 nan 0.000 0.486 755 L N 1.516 122.724 121.223 -0.025 0.000 2.362 755 L HA 0.057 4.397 4.340 -0.000 0.000 0.219 755 L C 2.645 179.497 176.870 -0.030 0.000 1.134 755 L CA 1.864 56.692 54.840 -0.020 0.000 0.807 755 L CB -1.191 40.867 42.059 -0.003 0.000 0.927 755 L HN 0.466 nan 8.230 nan 0.000 0.447 756 A N -1.554 121.241 122.820 -0.042 0.000 2.123 756 A HA 0.139 4.459 4.320 -0.000 0.000 0.214 756 A C 0.882 178.430 177.584 -0.060 0.000 1.152 756 A CA 0.198 52.207 52.037 -0.047 0.000 0.728 756 A CB -0.004 18.966 19.000 -0.050 0.000 0.814 756 A HN 0.075 nan 8.150 nan 0.000 0.464 757 V N 1.576 121.445 119.914 -0.075 0.000 2.328 757 V HA 0.160 4.280 4.120 -0.000 0.000 0.278 757 V C 1.497 177.561 176.094 -0.051 0.000 1.021 757 V CA 0.237 62.491 62.300 -0.076 0.000 0.838 757 V CB 0.870 32.623 31.823 -0.117 0.000 0.999 757 V HN 0.592 nan 8.190 nan 0.000 0.447 758 S N 4.698 120.378 115.700 -0.034 0.000 2.402 758 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 758 S C 1.557 176.150 174.600 -0.011 0.000 1.030 758 S CA 1.014 59.203 58.200 -0.019 0.000 1.003 758 S CB -0.217 62.976 63.200 -0.011 0.000 0.813 758 S HN 0.677 nan 8.310 nan 0.000 0.477 759 R N 0.128 120.623 120.500 -0.008 0.000 2.310 759 R HA 0.196 4.536 4.340 -0.000 0.000 0.202 759 R C 0.387 176.692 176.300 0.007 0.000 0.933 759 R CA 0.088 56.195 56.100 0.013 0.000 1.054 759 R CB -0.925 29.394 30.300 0.032 0.000 0.985 759 R HN 0.504 nan 8.270 nan 0.000 0.489 760 c N 1.948 120.530 118.600 -0.029 0.000 2.540 760 c HA 0.191 4.761 4.570 -0.000 0.000 0.377 760 c C 2.054 176.101 174.090 -0.072 0.000 1.274 760 c CA -0.594 55.704 56.329 -0.052 0.000 1.718 760 c CB -1.092 41.362 42.510 -0.094 0.000 2.391 760 c HN 0.449 nan 8.230 nan 0.000 0.565 761 L N 5.411 126.600 121.223 -0.057 0.000 2.141 761 L HA 0.218 4.558 4.340 -0.000 0.000 0.209 761 L C 1.573 178.159 176.870 -0.473 0.000 1.094 761 L CA 1.254 56.042 54.840 -0.087 0.000 0.763 761 L CB -0.695 41.436 42.059 0.119 0.000 0.908 761 L HN 0.958 nan 8.230 nan 0.000 0.437 762 G N -0.823 107.575 108.800 -0.671 0.000 2.317 762 G HA2 0.372 4.332 3.960 -0.000 0.000 0.293 762 G HA3 0.372 4.332 3.960 -0.000 0.000 0.293 762 G C -1.816 172.671 174.900 -0.690 0.000 1.287 762 G CA -0.774 43.669 45.100 -1.096 0.000 0.850 762 G HN -0.105 nan 8.290 nan 0.000 0.515 763 I N 0.341 120.548 120.570 -0.604 0.000 2.582 763 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 763 I C -0.483 175.348 176.117 -0.477 0.000 1.066 763 I CA -0.659 60.376 61.300 -0.442 0.000 1.053 763 I CB 2.739 40.438 38.000 -0.501 0.000 1.241 763 I HN 0.384 nan 8.210 nan 0.000 0.421 764 T N 5.278 119.716 114.554 -0.194 0.000 2.812 764 T HA 0.440 4.790 4.350 -0.000 0.000 0.282 764 T C -0.338 174.345 174.700 -0.028 0.000 0.990 764 T CA -0.527 61.515 62.100 -0.098 0.000 0.960 764 T CB 1.558 70.457 68.868 0.053 0.000 0.948 764 T HN 0.375 nan 8.240 nan 0.000 0.438 765 V N 1.271 121.202 119.914 0.028 0.000 2.567 765 V HA 0.482 4.602 4.120 -0.000 0.000 0.289 765 V C 0.211 176.440 176.094 0.225 0.000 1.049 765 V CA -1.106 61.329 62.300 0.225 0.000 0.969 765 V CB 1.259 33.326 31.823 0.407 0.000 0.995 765 V HN 1.005 nan 8.190 nan 0.000 0.471 766 W N 5.234 126.560 121.300 0.043 0.000 1.438 766 W HA 0.550 5.210 4.660 -0.000 0.000 0.455 766 W C 0.565 177.120 176.519 0.060 0.000 0.656 766 W CA 0.625 57.970 57.345 -0.001 0.000 2.049 766 W CB 0.038 29.514 29.460 0.027 0.000 1.683 766 W HN 1.245 nan 8.180 nan 0.000 0.228 767 G N 0.090 108.804 108.800 -0.143 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 -0.620 174.269 174.900 -0.018 0.000 1.381 767 G CA -0.643 44.393 45.100 -0.106 0.000 1.001 767 G HN 0.039 nan 8.290 nan 0.000 0.626 768 V N 0.330 120.254 119.914 0.016 0.000 2.502 768 V HA 0.310 4.430 4.120 -0.000 0.000 0.234 768 V C 1.517 177.726 176.094 0.193 0.000 1.072 768 V CA 1.525 63.844 62.300 0.032 0.000 1.094 768 V CB -0.413 31.251 31.823 -0.266 0.000 0.761 768 V HN 0.689 nan 8.190 nan 0.000 0.489 769 R N 0.531 121.139 120.500 0.179 0.000 2.720 769 R HA 0.307 4.647 4.340 -0.000 0.000 0.272 769 R C 0.622 177.041 176.300 0.199 0.000 0.991 769 R CA -0.651 55.580 56.100 0.219 0.000 1.010 769 R CB 0.817 31.219 30.300 0.170 0.000 1.141 769 R HN 0.164 nan 8.270 nan 0.000 0.494 770 D N 0.672 121.183 120.400 0.185 0.000 2.190 770 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 770 D C 1.581 177.960 176.300 0.131 0.000 0.992 770 D CA 2.100 56.196 54.000 0.159 0.000 0.854 770 D CB -0.138 40.737 40.800 0.125 0.000 0.936 770 D HN 0.680 nan 8.370 nan 0.000 0.462 771 T N -1.591 113.030 114.554 0.112 0.000 3.072 771 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 771 T C 1.103 175.853 174.700 0.083 0.000 1.127 771 T CA 0.679 62.829 62.100 0.084 0.000 1.107 771 T CB 0.078 68.985 68.868 0.065 0.000 0.910 771 T HN -0.003 nan 8.240 nan 0.000 0.513 772 D N 1.219 121.685 120.400 0.111 0.000 2.350 772 D HA 0.142 4.782 4.640 -0.000 0.000 0.213 772 D C 0.786 177.157 176.300 0.118 0.000 1.031 772 D CA 0.119 54.174 54.000 0.092 0.000 0.861 772 D CB 0.221 41.110 40.800 0.149 0.000 0.926 772 D HN 0.412 nan 8.370 nan 0.000 0.520 773 S N 1.188 116.992 115.700 0.173 0.000 2.564 773 S HA 0.036 4.506 4.470 -0.000 0.000 0.278 773 S C 1.280 176.076 174.600 0.327 0.000 1.333 773 S CA -0.806 57.564 58.200 0.284 0.000 1.048 773 S CB 0.587 63.961 63.200 0.290 0.000 0.900 773 S HN 0.333 nan 8.310 nan 0.000 0.505 774 W N 5.160 126.530 121.300 0.116 0.000 2.611 774 W HA 0.146 4.806 4.660 0.000 0.000 0.251 774 W C 0.312 176.874 176.519 0.072 0.000 1.265 774 W CA 0.022 57.428 57.345 0.102 0.000 1.295 774 W CB -0.783 28.777 29.460 0.166 0.000 1.129 774 W HN 0.640 nan 8.180 nan 0.000 0.630 775 R N 1.371 121.783 120.500 -0.147 0.000 2.795 775 R HA 0.075 4.415 4.340 -0.000 0.000 0.320 775 R C 1.742 178.011 176.300 -0.052 0.000 1.223 775 R CA 0.535 56.457 56.100 -0.296 0.000 1.305 775 R CB 0.331 30.286 30.300 -0.575 0.000 1.318 775 R HN 0.064 nan 8.270 nan 0.000 0.636 776 S N -0.738 114.976 115.700 0.022 0.000 2.402 776 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 776 S C 2.006 176.625 174.600 0.031 0.000 1.030 776 S CA 1.483 59.717 58.200 0.056 0.000 1.003 776 S CB -0.256 62.979 63.200 0.058 0.000 0.813 776 S HN 0.542 nan 8.310 nan 0.000 0.477 777 G N 1.381 110.180 108.800 -0.002 0.000 2.470 777 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.220 777 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.220 777 G C 0.891 175.793 174.900 0.005 0.000 1.121 777 G CA 0.904 46.003 45.100 -0.002 0.000 0.766 777 G HN 0.561 nan 8.290 nan 0.000 0.553 778 D N 0.501 120.902 120.400 0.002 0.000 2.349 778 D HA 0.046 4.686 4.640 -0.000 0.000 0.214 778 D C 1.433 177.771 176.300 0.063 0.000 1.063 778 D CA 0.963 54.976 54.000 0.023 0.000 0.847 778 D CB -0.285 40.519 40.800 0.007 0.000 0.933 778 D HN 0.355 nan 8.370 nan 0.000 0.513 779 T N -0.100 114.497 114.554 0.071 0.000 3.213 779 T HA -0.156 4.194 4.350 -0.000 0.000 0.427 779 T C -1.780 173.003 174.700 0.138 0.000 0.772 779 T CA 0.152 62.310 62.100 0.096 0.000 2.150 779 T CB -1.054 67.853 68.868 0.065 0.000 1.655 779 T HN 0.169 nan 8.240 nan 0.000 0.584 780 P HA 0.364 nan 4.420 nan 0.000 0.262 780 P C 0.601 178.129 177.300 0.380 0.000 1.304 780 P CA -0.344 62.910 63.100 0.257 0.000 0.859 780 P CB 0.428 32.268 31.700 0.233 0.000 1.310 781 L N -0.856 120.560 121.223 0.322 0.000 2.578 781 L HA 0.388 4.728 4.340 -0.000 0.000 0.259 781 L C 1.960 178.945 176.870 0.192 0.000 1.082 781 L CA -1.078 53.967 54.840 0.342 0.000 0.843 781 L CB 0.533 42.785 42.059 0.322 0.000 1.535 781 L HN -0.269 nan 8.230 nan 0.000 0.510 782 L N -0.606 120.711 121.223 0.157 0.000 2.529 782 L HA 0.190 4.530 4.340 -0.000 0.000 0.223 782 L C -0.535 176.190 176.870 -0.243 0.000 1.113 782 L CA 0.389 55.179 54.840 -0.083 0.000 0.861 782 L CB 0.095 42.120 42.059 -0.056 0.000 1.012 782 L HN 0.229 nan 8.230 nan 0.000 0.461 783 F N 0.109 120.106 119.950 0.079 0.000 2.551 783 F HA 0.302 4.829 4.527 -0.000 0.000 0.316 783 F C 0.379 176.199 175.800 0.034 0.000 1.089 783 F CA -1.459 56.557 58.000 0.027 0.000 0.915 783 F CB 1.122 40.136 39.000 0.025 0.000 1.186 783 F HN -0.072 nan 8.300 nan 0.000 0.456 784 N N 0.327 119.116 118.700 0.149 0.000 2.418 784 N HA 0.343 5.083 4.740 -0.000 0.000 0.283 784 N C 1.233 176.807 175.510 0.107 0.000 1.267 784 N CA -0.174 52.934 53.050 0.096 0.000 0.975 784 N CB -0.138 38.362 38.487 0.022 0.000 1.167 784 N HN 0.624 nan 8.380 nan 0.000 0.581 785 G N -0.683 108.160 108.800 0.072 0.000 2.505 785 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.220 785 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.220 785 G C 0.467 175.400 174.900 0.055 0.000 1.145 785 G CA 1.546 46.684 45.100 0.064 0.000 0.761 785 G HN 0.884 nan 8.290 nan 0.000 0.571 786 D N -0.808 119.616 120.400 0.040 0.000 2.323 786 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 786 D C 1.581 177.904 176.300 0.039 0.000 1.129 786 D CA 0.415 54.432 54.000 0.028 0.000 0.865 786 D CB -0.559 40.245 40.800 0.006 0.000 0.913 786 D HN 0.469 nan 8.370 nan 0.000 0.517 787 G N 0.184 109.029 108.800 0.075 0.000 2.153 787 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 787 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 787 G C 0.321 175.323 174.900 0.170 0.000 0.994 787 G CA 0.463 45.622 45.100 0.098 0.000 0.698 787 G HN 0.800 nan 8.290 nan 0.000 0.521 788 S N -0.739 115.035 115.700 0.122 0.000 2.585 788 S HA 0.684 5.154 4.470 -0.000 0.000 0.277 788 S C 0.245 174.830 174.600 -0.024 0.000 1.241 788 S CA -0.711 57.519 58.200 0.050 0.000 1.041 788 S CB 1.889 65.066 63.200 -0.039 0.000 0.987 788 S HN 0.418 nan 8.310 nan 0.000 0.512 789 K N 1.773 122.038 120.400 -0.226 0.000 2.448 789 K HA 0.169 4.489 4.320 -0.000 0.000 0.278 789 K C 0.120 176.511 176.600 -0.347 0.000 1.009 789 K CA 0.111 56.023 56.287 -0.626 0.000 0.995 789 K CB 0.424 32.476 32.500 -0.747 0.000 0.917 789 K HN 0.553 nan 8.250 nan 0.000 0.481 790 K N 0.723 120.925 120.400 -0.331 0.000 2.177 790 K HA 0.260 4.580 4.320 -0.000 0.000 0.238 790 K C 1.090 177.635 176.600 -0.093 0.000 1.015 790 K CA -0.426 55.761 56.287 -0.167 0.000 0.922 790 K CB 1.058 33.477 32.500 -0.134 0.000 1.127 790 K HN 0.601 nan 8.250 nan 0.000 0.469 791 A N 0.984 123.777 122.820 -0.044 0.000 1.940 791 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 791 A C 2.144 179.719 177.584 -0.015 0.000 1.176 791 A CA 2.313 54.364 52.037 0.023 0.000 0.631 791 A CB -1.001 17.996 19.000 -0.005 0.000 0.814 791 A HN 0.780 nan 8.150 nan 0.000 0.446 792 A N -1.506 121.272 122.820 -0.071 0.000 1.933 792 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 792 A C 2.089 179.536 177.584 -0.228 0.000 1.175 792 A CA 1.669 53.628 52.037 -0.129 0.000 0.628 792 A CB -0.788 18.104 19.000 -0.180 0.000 0.814 792 A HN 0.784 nan 8.150 nan 0.000 0.444 793 Y N 1.378 121.468 120.300 -0.350 0.000 2.128 793 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 793 Y C 2.588 178.329 175.900 -0.264 0.000 1.154 793 Y CA 2.464 60.325 58.100 -0.399 0.000 1.149 793 Y CB -0.772 37.355 38.460 -0.556 0.000 0.976 793 Y HN 0.307 nan 8.280 nan 0.000 0.505 794 T N 0.743 115.305 114.554 0.012 0.000 2.788 794 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 794 T C 2.089 176.734 174.700 -0.092 0.000 1.044 794 T CA 1.396 63.496 62.100 0.001 0.000 1.139 794 T CB -0.757 68.167 68.868 0.093 0.000 0.867 794 T HN 0.511 nan 8.240 nan 0.000 0.454 795 A N 0.875 123.650 122.820 -0.075 0.000 1.930 795 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 795 A C 2.577 180.097 177.584 -0.106 0.000 1.175 795 A CA 1.162 53.168 52.037 -0.051 0.000 0.627 795 A CB -0.862 18.131 19.000 -0.011 0.000 0.815 795 A HN 0.362 nan 8.150 nan 0.000 0.443 796 V N -0.328 119.463 119.914 -0.205 0.000 2.307 796 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 796 V C 2.469 178.381 176.094 -0.303 0.000 1.045 796 V CA 1.837 64.001 62.300 -0.225 0.000 1.024 796 V CB -0.790 30.827 31.823 -0.344 0.000 0.651 796 V HN 0.573 nan 8.190 nan 0.000 0.449 797 L N 1.190 122.131 121.223 -0.470 0.000 2.042 797 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 797 L C 2.204 178.955 176.870 -0.198 0.000 1.076 797 L CA 2.536 57.134 54.840 -0.403 0.000 0.749 797 L CB -1.032 40.748 42.059 -0.465 0.000 0.893 797 L HN 0.480 nan 8.230 nan 0.000 0.432 798 N N -0.353 118.262 118.700 -0.142 0.000 2.069 798 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 798 N C 1.800 177.277 175.510 -0.056 0.000 1.031 798 N CA 1.811 54.818 53.050 -0.071 0.000 0.852 798 N CB -0.297 38.168 38.487 -0.037 0.000 1.018 798 N HN 0.479 nan 8.380 nan 0.000 0.423 799 A N 0.586 123.372 122.820 -0.057 0.000 1.877 799 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 799 A C 2.351 179.919 177.584 -0.027 0.000 1.186 799 A CA 1.251 53.270 52.037 -0.029 0.000 0.620 799 A CB -0.942 18.051 19.000 -0.012 0.000 0.822 799 A HN 0.382 nan 8.150 nan 0.000 0.443 800 L N -0.192 121.002 121.223 -0.048 0.000 2.079 800 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 800 L C 1.549 178.401 176.870 -0.031 0.000 1.081 800 L CA 1.099 55.920 54.840 -0.031 0.000 0.752 800 L CB -0.600 41.421 42.059 -0.063 0.000 0.896 800 L HN 0.353 nan 8.230 nan 0.000 0.433 801 N N 0.115 118.788 118.700 -0.046 0.000 2.515 801 N HA -0.005 4.735 4.740 -0.000 0.000 0.191 801 N C 1.344 176.842 175.510 -0.020 0.000 1.182 801 N CA 1.019 54.049 53.050 -0.032 0.000 0.879 801 N CB 0.661 39.125 38.487 -0.038 0.000 0.984 801 N HN 0.486 nan 8.380 nan 0.000 0.453 802 G N -0.767 108.023 108.800 -0.017 0.000 2.194 802 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 802 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 802 G C 0.703 175.598 174.900 -0.009 0.000 0.987 802 G CA 0.250 45.344 45.100 -0.010 0.000 0.635 802 G HN 0.730 nan 8.290 nan 0.000 0.520 803 G N -0.769 108.024 108.800 -0.012 0.000 2.566 803 G HA2 0.136 4.096 3.960 -0.000 0.000 0.280 803 G HA3 0.136 4.096 3.960 -0.000 0.000 0.280 803 G C 0.121 175.020 174.900 -0.002 0.000 1.225 803 G CA 0.670 45.766 45.100 -0.006 0.000 0.966 803 G HN 1.871 nan 8.290 nan 0.000 0.560 804 S N -1.241 114.460 115.700 0.002 0.000 2.588 804 S HA 0.653 5.123 4.470 -0.000 0.000 0.275 804 S C 1.027 175.630 174.600 0.005 0.000 1.130 804 S CA 0.445 58.647 58.200 0.003 0.000 0.855 804 S CB 1.903 65.107 63.200 0.007 0.000 1.116 804 S HN 1.750 nan 8.310 nan 0.000 0.472 805 S N 0.206 115.908 115.700 0.004 0.000 2.436 805 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 805 S C 0.932 175.535 174.600 0.006 0.000 1.014 805 S CA 0.696 58.898 58.200 0.004 0.000 0.950 805 S CB -0.660 62.541 63.200 0.002 0.000 0.784 805 S HN 0.847 nan 8.310 nan 0.000 0.504 806 T N 1.486 116.045 114.554 0.008 0.000 2.910 806 T HA 0.576 4.926 4.350 -0.000 0.000 0.323 806 T C -2.901 171.808 174.700 0.015 0.000 1.091 806 T CA -2.016 60.090 62.100 0.011 0.000 0.960 806 T CB 0.436 69.310 68.868 0.010 0.000 1.024 806 T HN -0.019 nan 8.240 nan 0.000 0.509 807 P HA 0.204 nan 4.420 nan 0.000 0.264 807 P C -2.165 175.152 177.300 0.028 0.000 1.183 807 P CA -0.720 62.393 63.100 0.022 0.000 0.763 807 P CB -0.365 31.347 31.700 0.020 0.000 0.807 808 P HA 0.154 nan 4.420 nan 0.000 0.269 808 P C -2.184 175.146 177.300 0.050 0.000 1.215 808 P CA -0.696 62.434 63.100 0.049 0.000 0.780 808 P CB -0.730 31.014 31.700 0.073 0.000 0.898 809 P HA 0.168 nan 4.420 nan 0.000 0.269 809 P C -0.618 176.717 177.300 0.057 0.000 1.217 809 P CA 0.047 63.177 63.100 0.049 0.000 0.783 809 P CB 0.479 32.209 31.700 0.050 0.000 0.898 810 S N 0.073 115.800 115.700 0.045 0.000 2.575 810 S HA 0.552 5.022 4.470 -0.000 0.000 0.278 810 S C 0.280 174.900 174.600 0.034 0.000 1.139 810 S CA 0.228 58.454 58.200 0.043 0.000 0.954 810 S CB 0.569 63.789 63.200 0.034 0.000 1.054 810 S HN 0.894 nan 8.310 nan 0.000 0.483 811 G N 2.269 111.090 108.800 0.034 0.000 2.137 811 G HA2 0.271 4.231 3.960 -0.000 0.000 0.237 811 G HA3 0.271 4.231 3.960 -0.000 0.000 0.237 811 G C 1.133 176.043 174.900 0.016 0.000 1.002 811 G CA 0.416 45.530 45.100 0.022 0.000 0.702 811 G HN 2.020 nan 8.290 nan 0.000 0.515 812 G N -2.081 106.736 108.800 0.030 0.000 2.293 812 G HA2 0.645 4.605 3.960 -0.000 0.000 0.282 812 G HA3 0.645 4.605 3.960 -0.000 0.000 0.282 812 G C 0.632 175.555 174.900 0.038 0.000 1.299 812 G CA 1.192 46.302 45.100 0.017 0.000 1.018 812 G HN 2.622 nan 8.290 nan 0.000 0.478 813 G N -1.560 107.255 108.800 0.025 0.000 2.375 813 G HA2 0.530 4.490 3.960 -0.000 0.000 0.663 813 G HA3 0.530 4.490 3.960 -0.000 0.000 0.663 813 G C -0.660 174.291 174.900 0.085 0.000 1.391 813 G CA 0.266 45.394 45.100 0.046 0.000 0.949 813 G HN 0.924 nan 8.290 nan 0.000 0.646 814 Q N -0.917 118.934 119.800 0.084 0.000 2.212 814 Q HA 0.731 5.071 4.340 -0.000 0.000 0.238 814 Q C -0.009 176.067 176.000 0.126 0.000 0.955 814 Q CA -0.534 55.349 55.803 0.133 0.000 0.906 814 Q CB 1.934 30.727 28.738 0.093 0.000 1.215 814 Q HN 0.493 nan 8.270 nan 0.000 0.478 815 I N 1.667 122.317 120.570 0.134 0.000 2.521 815 I HA 0.260 4.430 4.170 -0.000 0.000 0.277 815 I C -0.672 175.555 176.117 0.184 0.000 1.054 815 I CA -0.400 60.928 61.300 0.046 0.000 1.117 815 I CB 1.188 39.032 38.000 -0.260 0.000 1.217 815 I HN 0.352 nan 8.210 nan 0.000 0.469 816 K N 4.453 124.981 120.400 0.213 0.000 2.183 816 K HA 0.571 4.891 4.320 -0.000 0.000 0.274 816 K C 0.256 176.981 176.600 0.209 0.000 1.009 816 K CA -0.432 55.983 56.287 0.213 0.000 0.888 816 K CB 1.545 34.108 32.500 0.106 0.000 1.078 816 K HN 0.653 nan 8.250 nan 0.000 0.459 817 G N 2.722 111.572 108.800 0.082 0.000 2.349 817 G HA2 0.163 4.123 3.960 -0.000 0.000 0.281 817 G HA3 0.163 4.123 3.960 -0.000 0.000 0.281 817 G C 1.079 175.795 174.900 -0.306 0.000 1.182 817 G CA -0.471 44.347 45.100 -0.470 0.000 0.899 817 G HN 0.610 nan 8.290 nan 0.000 0.455 818 V N 2.220 121.938 119.914 -0.327 0.000 2.392 818 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 818 V C 2.495 178.475 176.094 -0.190 0.000 1.059 818 V CA 2.326 64.505 62.300 -0.202 0.000 1.051 818 V CB -1.114 30.600 31.823 -0.182 0.000 0.658 818 V HN 0.625 nan 8.190 nan 0.000 0.455 819 G N 0.628 109.277 108.800 -0.252 0.000 2.418 819 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 819 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 819 G C 1.729 176.542 174.900 -0.145 0.000 1.158 819 G CA 1.515 46.500 45.100 -0.192 0.000 0.771 819 G HN 0.911 nan 8.290 nan 0.000 0.545 820 S N -1.433 114.177 115.700 -0.151 0.000 2.512 820 S HA 0.391 4.861 4.470 -0.000 0.000 0.216 820 S C 1.836 176.392 174.600 -0.073 0.000 1.006 820 S CA 1.016 59.157 58.200 -0.098 0.000 0.915 820 S CB 0.344 63.495 63.200 -0.082 0.000 0.824 820 S HN 1.510 nan 8.310 nan 0.000 0.497 821 G N 1.293 110.047 108.800 -0.077 0.000 2.166 821 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 821 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 821 G C 0.099 174.994 174.900 -0.008 0.000 0.986 821 G CA 0.368 45.443 45.100 -0.041 0.000 0.683 821 G HN 0.566 nan 8.290 nan 0.000 0.527 822 R N -0.861 119.639 120.500 0.001 0.000 2.598 822 R HA 0.717 5.057 4.340 -0.000 0.000 0.279 822 R C 0.344 176.723 176.300 0.131 0.000 0.984 822 R CA -0.528 55.603 56.100 0.052 0.000 0.999 822 R CB 0.874 31.197 30.300 0.038 0.000 1.114 822 R HN 0.232 nan 8.270 nan 0.000 0.493 823 c N 2.114 120.818 118.600 0.174 0.000 2.364 823 c HA 0.389 4.959 4.570 -0.000 0.000 0.356 823 c C -0.147 174.090 174.090 0.246 0.000 1.201 823 c CA -0.838 55.620 56.329 0.215 0.000 2.227 823 c CB 0.641 43.266 42.510 0.191 0.000 2.387 823 c HN 0.623 nan 8.230 nan 0.000 0.546 824 L N 3.928 125.272 121.223 0.203 0.000 2.584 824 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 824 L C 0.133 177.209 176.870 0.342 0.000 1.195 824 L CA 1.297 56.206 54.840 0.115 0.000 0.920 824 L CB -0.298 41.562 42.059 -0.331 0.000 1.173 824 L HN 0.681 nan 8.230 nan 0.000 0.489 825 D N 3.707 124.279 120.400 0.287 0.000 2.738 825 D HA 0.261 4.901 4.640 -0.000 0.000 0.237 825 D C -1.392 175.040 176.300 0.219 0.000 1.123 825 D CA -0.461 53.697 54.000 0.264 0.000 0.856 825 D CB 2.336 43.287 40.800 0.252 0.000 1.552 825 D HN 0.218 nan 8.370 nan 0.000 0.480 826 V N 4.530 124.537 119.914 0.155 0.000 2.334 826 V HA 0.258 4.378 4.120 -0.000 0.000 0.267 826 V C -2.068 174.083 176.094 0.096 0.000 1.040 826 V CA -1.560 60.827 62.300 0.146 0.000 0.866 826 V CB 0.882 32.778 31.823 0.122 0.000 1.019 826 V HN 0.478 nan 8.190 nan 0.000 0.468 827 P HA -0.083 nan 4.420 nan 0.000 0.257 827 P C 0.438 177.744 177.300 0.009 0.000 1.144 827 P CA 0.815 63.924 63.100 0.016 0.000 0.761 827 P CB -0.040 31.682 31.700 0.038 0.000 0.734 828 N N 3.025 121.701 118.700 -0.041 0.000 2.696 828 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 828 N C 0.493 176.007 175.510 0.006 0.000 1.090 828 N CA 1.236 54.269 53.050 -0.028 0.000 0.716 828 N CB -1.781 36.692 38.487 -0.023 0.000 1.020 828 N HN 0.643 nan 8.380 nan 0.000 0.548 829 A N -1.922 120.930 122.820 0.053 0.000 2.771 829 A HA -0.276 4.044 4.320 -0.000 0.000 0.294 829 A C 0.930 178.531 177.584 0.028 0.000 1.500 829 A CA 1.379 53.489 52.037 0.122 0.000 0.829 829 A CB -1.779 17.267 19.000 0.076 0.000 0.998 829 A HN 0.958 nan 8.150 nan 0.000 0.526 830 S N -0.595 115.129 115.700 0.040 0.000 2.579 830 S HA 0.463 4.933 4.470 -0.000 0.000 0.275 830 S C 1.321 175.864 174.600 -0.095 0.000 1.345 830 S CA 0.847 59.029 58.200 -0.031 0.000 1.031 830 S CB 0.564 63.776 63.200 0.019 0.000 0.892 830 S HN 1.589 nan 8.310 nan 0.000 0.529 831 T N 0.257 114.702 114.554 -0.181 0.000 3.252 831 T HA 0.271 4.621 4.350 -0.000 0.000 0.286 831 T C 0.024 174.684 174.700 -0.067 0.000 1.013 831 T CA -0.471 61.495 62.100 -0.223 0.000 0.914 831 T CB -0.270 68.365 68.868 -0.388 0.000 1.131 831 T HN 0.470 nan 8.240 nan 0.000 0.529 832 T N 3.543 118.089 114.554 -0.014 0.000 2.761 832 T HA 0.270 4.620 4.350 -0.000 0.000 0.296 832 T C -0.230 174.506 174.700 0.061 0.000 0.934 832 T CA -0.394 61.714 62.100 0.012 0.000 1.091 832 T CB 0.590 69.470 68.868 0.019 0.000 0.896 832 T HN 0.269 nan 8.240 nan 0.000 0.515 833 D N 2.004 122.435 120.400 0.051 0.000 2.455 833 D HA 0.357 4.997 4.640 -0.000 0.000 0.241 833 D C 1.433 177.838 176.300 0.175 0.000 1.138 833 D CA 1.154 55.224 54.000 0.117 0.000 0.877 833 D CB 0.728 41.543 40.800 0.024 0.000 1.187 833 D HN 0.858 nan 8.370 nan 0.000 0.451 834 G N 1.691 110.633 108.800 0.236 0.000 2.194 834 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.236 834 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.236 834 G C 0.520 175.506 174.900 0.143 0.000 0.987 834 G CA 0.149 45.360 45.100 0.185 0.000 0.635 834 G HN 0.569 nan 8.290 nan 0.000 0.520 835 T N 1.783 116.423 114.554 0.143 0.000 2.784 835 T HA 0.393 4.743 4.350 -0.000 0.000 0.291 835 T C 0.457 175.236 174.700 0.133 0.000 0.942 835 T CA 0.492 62.666 62.100 0.123 0.000 1.161 835 T CB 1.321 70.263 68.868 0.123 0.000 0.885 835 T HN 0.550 nan 8.240 nan 0.000 0.534 836 Q N 3.483 123.348 119.800 0.109 0.000 2.313 836 Q HA 0.341 4.681 4.340 -0.000 0.000 0.266 836 Q C 0.212 176.273 176.000 0.103 0.000 0.989 836 Q CA -0.765 55.099 55.803 0.101 0.000 0.890 836 Q CB 0.619 29.407 28.738 0.084 0.000 1.200 836 Q HN 0.649 nan 8.270 nan 0.000 0.396 837 V N 1.764 121.735 119.914 0.095 0.000 3.133 837 V HA 0.387 4.507 4.120 -0.000 0.000 0.305 837 V C -0.408 175.738 176.094 0.085 0.000 1.084 837 V CA -0.289 62.072 62.300 0.102 0.000 1.089 837 V CB 1.132 32.990 31.823 0.058 0.000 1.073 837 V HN 1.008 nan 8.190 nan 0.000 0.477 838 Q N 2.370 122.239 119.800 0.116 0.000 2.687 838 Q HA 0.737 5.077 4.340 -0.000 0.000 0.305 838 Q C -1.492 174.614 176.000 0.178 0.000 1.006 838 Q CA -1.164 54.721 55.803 0.136 0.000 0.763 838 Q CB 2.240 31.067 28.738 0.150 0.000 1.506 838 Q HN 0.677 nan 8.270 nan 0.000 0.459 839 L N 1.206 122.547 121.223 0.196 0.000 2.295 839 L HA 0.647 4.987 4.340 -0.000 0.000 0.285 839 L C -1.295 175.737 176.870 0.270 0.000 1.035 839 L CA -0.776 54.193 54.840 0.215 0.000 0.806 839 L CB 0.925 43.078 42.059 0.156 0.000 1.214 839 L HN 0.615 nan 8.230 nan 0.000 0.426 840 Y N 1.064 121.437 120.300 0.121 0.000 2.609 840 Y HA 0.229 4.779 4.550 0.000 0.000 0.336 840 Y C -0.599 175.376 175.900 0.126 0.000 1.129 840 Y CA -1.129 57.039 58.100 0.113 0.000 1.040 840 Y CB 1.780 40.322 38.460 0.136 0.000 1.310 840 Y HN 0.538 nan 8.280 nan 0.000 0.460 841 D N 2.691 122.915 120.400 -0.293 0.000 2.581 841 D HA -0.017 4.623 4.640 -0.000 0.000 0.238 841 D C -0.134 176.318 176.300 0.253 0.000 1.145 841 D CA 0.761 54.718 54.000 -0.073 0.000 0.866 841 D CB 0.249 40.920 40.800 -0.214 0.000 1.151 841 D HN 0.457 nan 8.370 nan 0.000 0.500 842 c N 4.920 123.641 118.600 0.200 0.000 2.611 842 c HA 0.181 4.751 4.570 -0.000 0.000 0.416 842 c C 0.679 174.953 174.090 0.306 0.000 1.366 842 c CA -0.094 56.376 56.329 0.234 0.000 1.761 842 c CB -0.979 41.608 42.510 0.129 0.000 2.619 842 c HN 0.716 nan 8.230 nan 0.000 0.606 843 H N -0.420 118.705 119.070 0.090 0.000 3.060 843 H HA 0.245 4.801 4.556 -0.000 0.000 0.330 843 H C -0.946 174.412 175.328 0.050 0.000 1.305 843 H CA -0.562 55.528 56.048 0.069 0.000 1.209 843 H CB 0.802 30.616 29.762 0.086 0.000 1.913 843 H HN 0.440 nan 8.280 nan 0.000 0.534 844 S N 1.073 116.781 115.700 0.013 0.000 2.671 844 S HA 0.498 4.968 4.470 -0.000 0.000 0.331 844 S C -0.291 174.242 174.600 -0.112 0.000 1.182 844 S CA 0.215 58.382 58.200 -0.055 0.000 1.276 844 S CB -1.896 61.310 63.200 0.010 0.000 1.360 844 S HN 0.882 nan 8.310 nan 0.000 0.563 845 A N 3.732 126.397 122.820 -0.258 0.000 2.488 845 A HA 0.532 4.852 4.320 -0.000 0.000 0.295 845 A C 0.965 178.423 177.584 -0.209 0.000 1.045 845 A CA -0.243 51.665 52.037 -0.216 0.000 0.703 845 A CB 0.515 19.323 19.000 -0.320 0.000 1.271 845 A HN 0.810 nan 8.150 nan 0.000 0.400 846 T N -0.091 114.388 114.554 -0.125 0.000 2.822 846 T HA -0.215 4.135 4.350 -0.000 0.000 0.270 846 T C 1.129 175.634 174.700 -0.325 0.000 1.064 846 T CA 1.819 63.823 62.100 -0.160 0.000 1.131 846 T CB -0.617 68.240 68.868 -0.018 0.000 0.858 846 T HN 0.860 nan 8.240 nan 0.000 0.483 847 N N 0.965 119.537 118.700 -0.213 0.000 2.567 847 N HA -0.052 4.688 4.740 -0.000 0.000 0.195 847 N C 1.140 176.423 175.510 -0.377 0.000 1.242 847 N CA 0.311 53.178 53.050 -0.306 0.000 0.884 847 N CB -0.125 38.364 38.487 0.003 0.000 1.007 847 N HN 0.609 nan 8.380 nan 0.000 0.450 848 Q N -0.798 118.761 119.800 -0.401 0.000 2.073 848 Q HA 0.172 4.512 4.340 -0.000 0.000 0.215 848 Q C -0.631 175.183 176.000 -0.309 0.000 0.776 848 Q CA -0.218 55.437 55.803 -0.246 0.000 1.008 848 Q CB 0.823 29.475 28.738 -0.144 0.000 1.196 848 Q HN 0.243 nan 8.270 nan 0.000 0.458 849 Q N 0.211 119.705 119.800 -0.511 0.000 2.421 849 Q HA 0.166 4.506 4.340 -0.000 0.000 0.242 849 Q C -1.285 174.399 176.000 -0.527 0.000 1.024 849 Q CA 0.237 55.824 55.803 -0.360 0.000 0.891 849 Q CB 0.326 28.911 28.738 -0.256 0.000 1.222 849 Q HN 0.121 nan 8.270 nan 0.000 0.483 850 W N 1.265 122.489 121.300 -0.127 0.000 2.520 850 W HA 0.379 5.039 4.660 -0.000 0.000 0.323 850 W C 0.179 176.662 176.519 -0.059 0.000 1.062 850 W CA -0.531 56.741 57.345 -0.122 0.000 1.215 850 W CB 1.500 30.863 29.460 -0.161 0.000 1.340 850 W HN 0.160 nan 8.180 nan 0.000 0.516 851 T N 2.993 117.661 114.554 0.191 0.000 2.770 851 T HA 0.136 4.486 4.350 -0.000 0.000 0.283 851 T C -1.460 173.380 174.700 0.234 0.000 0.988 851 T CA -0.459 61.735 62.100 0.157 0.000 0.957 851 T CB 0.343 69.260 68.868 0.082 0.000 0.930 851 T HN 0.150 nan 8.240 nan 0.000 0.443 852 Y N 4.842 125.179 120.300 0.062 0.000 2.477 852 Y HA 0.352 4.902 4.550 -0.000 0.000 0.349 852 Y C 0.963 176.894 175.900 0.051 0.000 0.977 852 Y CA -1.350 56.781 58.100 0.052 0.000 1.214 852 Y CB -0.291 38.187 38.460 0.030 0.000 1.124 852 Y HN 0.701 nan 8.280 nan 0.000 0.521 853 T N 0.901 115.412 114.554 -0.071 0.000 2.868 853 T HA 0.098 4.448 4.350 -0.000 0.000 0.292 853 T C 0.955 175.470 174.700 -0.307 0.000 1.028 853 T CA -0.573 61.447 62.100 -0.132 0.000 1.059 853 T CB 0.899 69.742 68.868 -0.041 0.000 0.991 853 T HN 0.571 nan 8.240 nan 0.000 0.531 854 D N 1.077 121.365 120.400 -0.186 0.000 2.263 854 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 854 D C 2.045 178.251 176.300 -0.155 0.000 0.971 854 D CA 1.272 55.166 54.000 -0.177 0.000 0.867 854 D CB -0.335 40.415 40.800 -0.083 0.000 0.929 854 D HN 0.779 nan 8.370 nan 0.000 0.492 855 A N -0.230 122.516 122.820 -0.123 0.000 2.208 855 A HA 0.344 4.664 4.320 -0.000 0.000 0.209 855 A C 1.781 179.302 177.584 -0.105 0.000 1.161 855 A CA 1.175 53.163 52.037 -0.082 0.000 0.782 855 A CB 0.011 18.982 19.000 -0.048 0.000 0.816 855 A HN 0.253 nan 8.150 nan 0.000 0.477 856 G N -0.752 107.930 108.800 -0.195 0.000 2.144 856 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 856 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 856 G C -0.193 174.796 174.900 0.149 0.000 0.988 856 G CA 0.172 45.201 45.100 -0.118 0.000 0.659 856 G HN 0.603 nan 8.290 nan 0.000 0.522 857 E N -0.499 119.766 120.200 0.108 0.000 2.318 857 E HA 0.626 4.976 4.350 -0.000 0.000 0.265 857 E C 0.034 176.841 176.600 0.344 0.000 1.069 857 E CA -0.593 55.959 56.400 0.253 0.000 0.893 857 E CB 1.339 31.126 29.700 0.146 0.000 1.076 857 E HN 0.207 nan 8.360 nan 0.000 0.414 858 L N 2.986 124.414 121.223 0.342 0.000 2.356 858 L HA 0.346 4.686 4.340 -0.000 0.000 0.264 858 L C -0.013 177.069 176.870 0.353 0.000 1.029 858 L CA -0.338 54.655 54.840 0.255 0.000 0.897 858 L CB 0.507 42.492 42.059 -0.124 0.000 1.256 858 L HN 0.269 nan 8.230 nan 0.000 0.444 859 R N 1.722 122.392 120.500 0.284 0.000 2.459 859 R HA 0.665 5.005 4.340 -0.000 0.000 0.281 859 R C -0.771 175.534 176.300 0.009 0.000 1.050 859 R CA -0.553 55.654 56.100 0.179 0.000 1.055 859 R CB 2.672 33.035 30.300 0.104 0.000 1.045 859 R HN 0.262 nan 8.270 nan 0.000 0.495 860 V N 3.140 122.928 119.914 -0.209 0.000 3.007 860 V HA 0.215 4.335 4.120 -0.000 0.000 0.311 860 V C -0.863 174.991 176.094 -0.400 0.000 1.120 860 V CA -0.440 61.452 62.300 -0.681 0.000 0.980 860 V CB 1.364 32.300 31.823 -1.480 0.000 1.033 860 V HN 0.927 nan 8.190 nan 0.000 0.429 861 Y N 3.560 123.724 120.300 -0.227 0.000 4.899 861 Y HA -0.257 4.293 4.550 0.000 0.000 0.241 861 Y C 1.747 177.597 175.900 -0.083 0.000 0.976 861 Y CA 1.791 59.808 58.100 -0.138 0.000 1.952 861 Y CB -1.936 36.454 38.460 -0.117 0.000 1.496 861 Y HN 1.760 nan 8.280 nan 0.000 0.545 862 G N -1.101 107.719 108.800 0.032 0.000 2.284 862 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.230 862 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.230 862 G C 0.573 175.507 174.900 0.057 0.000 1.021 862 G CA 0.635 45.757 45.100 0.036 0.000 0.619 862 G HN 0.464 nan 8.290 nan 0.000 0.510 863 D N -0.032 120.419 120.400 0.084 0.000 2.539 863 D HA 0.236 4.876 4.640 -0.000 0.000 0.232 863 D C 0.287 176.655 176.300 0.114 0.000 1.256 863 D CA 0.084 54.135 54.000 0.086 0.000 0.810 863 D CB 0.257 41.094 40.800 0.062 0.000 1.090 863 D HN 0.227 nan 8.370 nan 0.000 0.519 864 K N 0.289 120.774 120.400 0.142 0.000 2.159 864 K HA 0.461 4.781 4.320 -0.000 0.000 0.266 864 K C -0.591 176.128 176.600 0.198 0.000 0.975 864 K CA -0.485 55.911 56.287 0.181 0.000 0.865 864 K CB 1.774 34.431 32.500 0.263 0.000 1.087 864 K HN -0.039 nan 8.250 nan 0.000 0.446 865 c N 2.512 121.271 118.600 0.265 0.000 2.417 865 c HA 0.340 4.910 4.570 -0.000 0.000 0.324 865 c C -0.042 174.265 174.090 0.362 0.000 1.240 865 c CA -0.995 55.520 56.329 0.310 0.000 1.632 865 c CB 0.871 43.554 42.510 0.288 0.000 2.241 865 c HN 0.745 nan 8.230 nan 0.000 0.499 866 L N 4.364 125.793 121.223 0.342 0.000 2.513 866 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 866 L C 0.089 177.218 176.870 0.431 0.000 1.187 866 L CA 1.446 56.394 54.840 0.180 0.000 0.895 866 L CB -0.078 41.746 42.059 -0.391 0.000 1.147 866 L HN 0.680 nan 8.230 nan 0.000 0.483 867 D N 4.127 124.755 120.400 0.380 0.000 2.738 867 D HA 0.624 5.264 4.640 -0.000 0.000 0.237 867 D C -1.611 174.882 176.300 0.322 0.000 1.123 867 D CA -0.457 53.770 54.000 0.379 0.000 0.856 867 D CB 2.234 43.233 40.800 0.331 0.000 1.552 867 D HN 0.671 nan 8.370 nan 0.000 0.480 868 A N 1.785 124.750 122.820 0.241 0.000 2.318 868 A HA 0.673 4.993 4.320 -0.000 0.000 0.317 868 A C -0.376 177.247 177.584 0.066 0.000 1.159 868 A CA -0.538 51.599 52.037 0.166 0.000 0.799 868 A CB 1.364 20.450 19.000 0.142 0.000 1.194 868 A HN 0.509 nan 8.150 nan 0.000 0.479 869 A N 2.391 125.245 122.820 0.057 0.000 3.095 869 A HA 0.685 5.005 4.320 -0.000 0.000 0.301 869 A C 0.637 178.234 177.584 0.021 0.000 1.432 869 A CA 0.315 52.363 52.037 0.018 0.000 1.140 869 A CB -0.868 18.141 19.000 0.014 0.000 1.174 869 A HN 2.539 nan 8.150 nan 0.000 0.546 870 G N -0.590 108.217 108.800 0.011 0.000 2.347 870 G HA2 0.358 4.318 3.960 -0.000 0.000 0.321 870 G HA3 0.358 4.318 3.960 -0.000 0.000 0.321 870 G C 0.065 174.963 174.900 -0.004 0.000 1.412 870 G CA 0.280 45.384 45.100 0.007 0.000 0.990 870 G HN 1.089 nan 8.290 nan 0.000 0.637 871 T N -2.329 112.217 114.554 -0.013 0.000 3.043 871 T HA 0.569 4.919 4.350 -0.000 0.000 0.272 871 T C 1.123 175.807 174.700 -0.028 0.000 0.990 871 T CA 1.219 63.302 62.100 -0.028 0.000 0.897 871 T CB 0.754 69.599 68.868 -0.039 0.000 1.111 871 T HN 1.690 nan 8.240 nan 0.000 0.529 872 G N 1.154 109.943 108.800 -0.019 0.000 2.488 872 G HA2 0.535 4.495 3.960 -0.000 0.000 0.318 872 G HA3 0.535 4.495 3.960 -0.000 0.000 0.318 872 G C -0.633 174.247 174.900 -0.032 0.000 1.188 872 G CA -0.911 44.167 45.100 -0.035 0.000 0.944 872 G HN 0.243 nan 8.290 nan 0.000 0.495 873 N N -0.468 118.175 118.700 -0.095 0.000 2.412 873 N HA 0.355 5.095 4.740 -0.000 0.000 0.254 873 N C 1.259 176.811 175.510 0.070 0.000 1.232 873 N CA 1.656 54.637 53.050 -0.114 0.000 0.880 873 N CB 0.846 39.069 38.487 -0.440 0.000 1.076 873 N HN 1.121 nan 8.380 nan 0.000 0.458 874 G N 0.399 109.321 108.800 0.202 0.000 2.176 874 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 874 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 874 G C 0.186 175.156 174.900 0.117 0.000 0.979 874 G CA 0.284 45.491 45.100 0.178 0.000 0.641 874 G HN 0.648 nan 8.290 nan 0.000 0.530 875 T N 2.160 116.775 114.554 0.102 0.000 2.902 875 T HA 0.351 4.701 4.350 -0.000 0.000 0.301 875 T C 0.769 175.529 174.700 0.101 0.000 1.012 875 T CA 0.382 62.533 62.100 0.085 0.000 1.151 875 T CB 0.620 69.533 68.868 0.074 0.000 0.946 875 T HN 0.391 nan 8.240 nan 0.000 0.542 876 K N 2.485 122.938 120.400 0.088 0.000 2.368 876 K HA 0.274 4.594 4.320 -0.000 0.000 0.282 876 K C -0.394 176.267 176.600 0.103 0.000 1.035 876 K CA -0.444 55.896 56.287 0.089 0.000 0.973 876 K CB 0.622 33.170 32.500 0.080 0.000 0.957 876 K HN 0.283 nan 8.250 nan 0.000 0.474 877 V N 4.858 124.827 119.914 0.090 0.000 2.406 877 V HA 0.089 4.209 4.120 -0.000 0.000 0.272 877 V C 0.398 176.537 176.094 0.074 0.000 1.043 877 V CA -0.228 62.122 62.300 0.084 0.000 0.915 877 V CB 0.670 32.483 31.823 -0.018 0.000 0.988 877 V HN 0.847 nan 8.190 nan 0.000 0.466 878 Q N 5.974 125.848 119.800 0.124 0.000 3.146 878 Q HA 0.738 5.078 4.340 -0.000 0.000 0.318 878 Q C -0.915 175.212 176.000 0.213 0.000 0.992 878 Q CA -0.982 54.914 55.803 0.154 0.000 0.809 878 Q CB 2.596 31.433 28.738 0.164 0.000 1.490 878 Q HN 0.650 nan 8.270 nan 0.000 0.493 879 I N -2.115 118.608 120.570 0.255 0.000 2.603 879 I HA 0.769 4.939 4.170 -0.000 0.000 0.300 879 I C -1.515 174.821 176.117 0.365 0.000 1.017 879 I CA -1.077 60.408 61.300 0.309 0.000 1.098 879 I CB 1.923 40.101 38.000 0.297 0.000 1.279 879 I HN 0.731 nan 8.210 nan 0.000 0.437 880 Y N 2.255 122.683 120.300 0.214 0.000 2.592 880 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 880 Y C -0.481 175.551 175.900 0.220 0.000 1.136 880 Y CA -0.692 57.529 58.100 0.202 0.000 1.042 880 Y CB 2.201 40.799 38.460 0.230 0.000 1.325 880 Y HN 0.766 nan 8.280 nan 0.000 0.457 881 S N 2.411 117.937 115.700 -0.289 0.000 2.563 881 S HA 0.031 4.501 4.470 -0.000 0.000 0.294 881 S C -0.414 174.341 174.600 0.259 0.000 1.279 881 S CA -0.106 58.047 58.200 -0.079 0.000 1.069 881 S CB -0.407 62.640 63.200 -0.255 0.000 0.828 881 S HN 0.624 nan 8.310 nan 0.000 0.497 882 c N 5.686 124.433 118.600 0.246 0.000 2.648 882 c HA 0.178 4.748 4.570 -0.000 0.000 0.415 882 c C 1.469 175.777 174.090 0.363 0.000 1.366 882 c CA -0.446 56.053 56.329 0.283 0.000 1.756 882 c CB -1.132 41.483 42.510 0.175 0.000 2.549 882 c HN 1.083 nan 8.230 nan 0.000 0.597 883 W N 1.194 122.578 121.300 0.140 0.000 1.807 883 W HA 0.365 5.025 4.660 0.000 0.000 0.251 883 W C 0.698 177.268 176.519 0.085 0.000 0.848 883 W CA 0.178 57.589 57.345 0.109 0.000 1.157 883 W CB -0.833 28.708 29.460 0.136 0.000 0.992 883 W HN 0.925 nan 8.180 nan 0.000 0.506 884 G N 1.487 110.040 108.800 -0.411 0.000 2.157 884 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.239 884 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.239 884 G C 0.629 175.050 174.900 -0.798 0.000 0.982 884 G CA -0.078 44.755 45.100 -0.447 0.000 0.650 884 G HN 0.674 nan 8.290 nan 0.000 0.527 885 G N -0.312 107.504 108.800 -1.639 0.000 2.554 885 G HA2 0.405 4.365 3.960 -0.000 0.000 0.238 885 G HA3 0.405 4.365 3.960 -0.000 0.000 0.238 885 G C 0.688 175.221 174.900 -0.611 0.000 1.259 885 G CA 0.433 44.704 45.100 -1.382 0.000 0.843 885 G HN 0.103 nan 8.290 nan 0.000 0.582 886 D N 0.319 120.488 120.400 -0.384 0.000 2.309 886 D HA -0.135 4.505 4.640 -0.000 0.000 0.212 886 D C 1.982 178.073 176.300 -0.349 0.000 0.968 886 D CA 0.904 54.725 54.000 -0.298 0.000 0.882 886 D CB 0.133 40.814 40.800 -0.199 0.000 0.918 886 D HN 0.604 nan 8.370 nan 0.000 0.503 887 N N 0.354 118.875 118.700 -0.298 0.000 2.449 887 N HA -0.102 4.638 4.740 -0.000 0.000 0.191 887 N C 0.749 176.078 175.510 -0.302 0.000 1.161 887 N CA 0.239 53.117 53.050 -0.286 0.000 0.863 887 N CB 0.072 38.492 38.487 -0.112 0.000 0.980 887 N HN 0.268 nan 8.380 nan 0.000 0.458 888 Q N -0.225 119.381 119.800 -0.323 0.000 2.139 888 Q HA 0.255 4.595 4.340 -0.000 0.000 0.219 888 Q C -0.532 175.358 176.000 -0.183 0.000 0.805 888 Q CA -0.062 55.675 55.803 -0.109 0.000 1.024 888 Q CB 1.008 29.700 28.738 -0.078 0.000 1.163 888 Q HN 0.267 nan 8.270 nan 0.000 0.485 889 K N 0.442 120.510 120.400 -0.554 0.000 2.270 889 K HA 0.479 4.799 4.320 -0.000 0.000 0.255 889 K C -1.383 174.773 176.600 -0.740 0.000 0.936 889 K CA -0.394 55.655 56.287 -0.397 0.000 0.809 889 K CB 1.387 33.738 32.500 -0.249 0.000 1.131 889 K HN -0.105 nan 8.250 nan 0.000 0.427 890 W N 1.043 122.374 121.300 0.051 0.000 2.962 890 W HA 0.479 5.139 4.660 -0.000 0.000 0.341 890 W C -0.357 176.227 176.519 0.108 0.000 1.155 890 W CA -0.867 56.495 57.345 0.027 0.000 1.165 890 W CB 1.104 30.530 29.460 -0.057 0.000 1.435 890 W HN 0.185 nan 8.180 nan 0.000 0.546 891 R N 2.033 122.676 120.500 0.239 0.000 2.393 891 R HA 0.497 4.837 4.340 -0.000 0.000 0.315 891 R C -0.879 175.450 176.300 0.048 0.000 0.952 891 R CA -0.933 55.268 56.100 0.169 0.000 0.842 891 R CB 1.381 31.735 30.300 0.090 0.000 1.163 891 R HN 0.407 nan 8.270 nan 0.000 0.450 892 L N 4.159 125.350 121.223 -0.054 0.000 2.328 892 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 892 L C 0.032 176.888 176.870 -0.023 0.000 1.111 892 L CA -0.642 54.110 54.840 -0.146 0.000 0.909 892 L CB -0.148 41.698 42.059 -0.355 0.000 1.277 892 L HN 0.435 nan 8.230 nan 0.000 0.433 893 N N 0.911 119.618 118.700 0.012 0.000 2.416 893 N HA -0.040 4.700 4.740 -0.000 0.000 0.246 893 N C 1.332 176.854 175.510 0.019 0.000 1.260 893 N CA 0.177 53.244 53.050 0.028 0.000 0.897 893 N CB 1.166 39.676 38.487 0.039 0.000 1.110 893 N HN 0.532 nan 8.380 nan 0.000 0.439 894 S N -0.098 115.612 115.700 0.017 0.000 2.419 894 S HA -0.197 4.273 4.470 -0.000 0.000 0.233 894 S C 0.850 175.456 174.600 0.010 0.000 1.016 894 S CA 1.221 59.427 58.200 0.010 0.000 0.974 894 S CB -0.271 62.931 63.200 0.003 0.000 0.786 894 S HN 0.713 nan 8.310 nan 0.000 0.492 895 D N 0.508 120.916 120.400 0.014 0.000 2.336 895 D HA 0.291 4.931 4.640 -0.000 0.000 0.229 895 D C 1.378 177.686 176.300 0.014 0.000 1.061 895 D CA 0.548 54.554 54.000 0.010 0.000 0.875 895 D CB -0.716 40.090 40.800 0.009 0.000 0.904 895 D HN 0.555 nan 8.370 nan 0.000 0.525 896 G N -0.143 108.675 108.800 0.030 0.000 2.176 896 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 896 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 896 G C 0.444 175.429 174.900 0.140 0.000 0.979 896 G CA 0.369 45.503 45.100 0.058 0.000 0.641 896 G HN 0.847 nan 8.290 nan 0.000 0.530 897 S N -0.284 115.486 115.700 0.117 0.000 2.617 897 S HA 0.744 5.214 4.470 -0.000 0.000 0.269 897 S C 0.061 174.749 174.600 0.145 0.000 1.292 897 S CA -0.493 57.816 58.200 0.182 0.000 1.010 897 S CB 1.853 65.121 63.200 0.114 0.000 0.944 897 S HN 0.647 nan 8.310 nan 0.000 0.536 898 I N 2.011 122.668 120.570 0.144 0.000 2.439 898 I HA 0.319 4.489 4.170 -0.000 0.000 0.283 898 I C -1.081 175.113 176.117 0.129 0.000 1.023 898 I CA -0.857 60.446 61.300 0.006 0.000 1.100 898 I CB 1.805 39.621 38.000 -0.306 0.000 1.238 898 I HN 0.415 nan 8.210 nan 0.000 0.445 899 V N 4.605 124.616 119.914 0.161 0.000 2.472 899 V HA 0.521 4.641 4.120 -0.000 0.000 0.290 899 V C 0.800 177.009 176.094 0.192 0.000 1.037 899 V CA -0.659 61.743 62.300 0.170 0.000 0.908 899 V CB 1.667 33.531 31.823 0.069 0.000 0.985 899 V HN 0.837 nan 8.190 nan 0.000 0.454 900 G N 2.450 111.294 108.800 0.072 0.000 2.355 900 G HA2 0.385 4.345 3.960 -0.000 0.000 0.276 900 G HA3 0.385 4.345 3.960 -0.000 0.000 0.276 900 G C 0.892 175.590 174.900 -0.335 0.000 1.198 900 G CA -0.290 44.547 45.100 -0.437 0.000 0.876 900 G HN 0.555 nan 8.290 nan 0.000 0.478 901 V N 2.253 121.924 119.914 -0.405 0.000 2.252 901 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 901 V C 2.890 178.850 176.094 -0.224 0.000 1.056 901 V CA 2.515 64.658 62.300 -0.262 0.000 1.022 901 V CB -0.614 31.054 31.823 -0.258 0.000 0.641 901 V HN 0.870 nan 8.190 nan 0.000 0.445 902 Q N 0.030 119.667 119.800 -0.272 0.000 2.079 902 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 902 Q C 2.365 178.279 176.000 -0.143 0.000 0.974 902 Q CA 2.192 57.882 55.803 -0.188 0.000 0.840 902 Q CB -0.071 28.550 28.738 -0.195 0.000 0.898 902 Q HN 0.791 nan 8.270 nan 0.000 0.430 903 S N -1.885 113.717 115.700 -0.163 0.000 2.439 903 S HA 0.165 4.635 4.470 -0.000 0.000 0.224 903 S C 1.508 176.060 174.600 -0.079 0.000 1.029 903 S CA 0.724 58.862 58.200 -0.103 0.000 0.946 903 S CB 0.287 63.436 63.200 -0.085 0.000 0.797 903 S HN 0.664 nan 8.310 nan 0.000 0.504 904 G N 0.631 109.379 108.800 -0.087 0.000 2.159 904 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.256 904 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.256 904 G C -0.226 174.662 174.900 -0.021 0.000 0.977 904 G CA 0.433 45.499 45.100 -0.056 0.000 0.652 904 G HN 0.491 nan 8.290 nan 0.000 0.531 905 L N 0.158 121.379 121.223 -0.003 0.000 2.375 905 L HA 0.698 5.038 4.340 -0.000 0.000 0.268 905 L C 1.011 177.950 176.870 0.115 0.000 1.058 905 L CA -0.737 54.129 54.840 0.044 0.000 0.803 905 L CB 1.431 43.513 42.059 0.038 0.000 1.212 905 L HN 0.207 nan 8.230 nan 0.000 0.451 906 c N 1.731 120.417 118.600 0.143 0.000 2.405 906 c HA 0.433 5.003 4.570 -0.000 0.000 0.365 906 c C 0.434 174.654 174.090 0.217 0.000 1.233 906 c CA -1.084 55.356 56.329 0.184 0.000 2.230 906 c CB 0.372 42.986 42.510 0.173 0.000 2.443 906 c HN 0.517 nan 8.230 nan 0.000 0.556 907 L N 3.629 124.969 121.223 0.196 0.000 2.455 907 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 907 L C 0.296 177.349 176.870 0.306 0.000 1.174 907 L CA 0.952 55.867 54.840 0.126 0.000 0.869 907 L CB 0.068 41.995 42.059 -0.219 0.000 1.130 907 L HN 0.693 nan 8.230 nan 0.000 0.474 908 D N 3.089 123.635 120.400 0.242 0.000 2.787 908 D HA 0.378 5.018 4.640 -0.000 0.000 0.246 908 D C -0.929 175.467 176.300 0.160 0.000 1.150 908 D CA -0.526 53.597 54.000 0.205 0.000 0.864 908 D CB 2.276 43.166 40.800 0.151 0.000 1.481 908 D HN 0.505 nan 8.370 nan 0.000 0.509 909 A N 3.912 126.803 122.820 0.119 0.000 2.376 909 A HA 0.381 4.701 4.320 -0.000 0.000 0.298 909 A C 0.554 178.141 177.584 0.006 0.000 1.271 909 A CA -0.485 51.599 52.037 0.078 0.000 0.926 909 A CB 0.006 19.023 19.000 0.027 0.000 1.141 909 A HN 0.467 nan 8.150 nan 0.000 0.539 910 V N 2.786 122.709 119.914 0.015 0.000 2.889 910 V HA 0.013 4.133 4.120 -0.000 0.000 0.293 910 V C 1.737 177.801 176.094 -0.049 0.000 1.273 910 V CA 1.841 64.129 62.300 -0.019 0.000 1.365 910 V CB -0.785 31.045 31.823 0.011 0.000 0.837 910 V HN 1.952 nan 8.190 nan 0.000 0.492 911 G N 3.989 112.733 108.800 -0.093 0.000 2.361 911 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.294 911 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.294 911 G C 1.181 176.031 174.900 -0.084 0.000 1.004 911 G CA 0.811 45.856 45.100 -0.092 0.000 0.870 911 G HN 2.592 nan 8.290 nan 0.000 0.510 912 G N -1.677 107.065 108.800 -0.097 0.000 2.180 912 G HA2 0.116 4.076 3.960 -0.000 0.000 0.263 912 G HA3 0.116 4.076 3.960 -0.000 0.000 0.263 912 G C 1.475 176.332 174.900 -0.072 0.000 0.989 912 G CA 0.992 46.037 45.100 -0.091 0.000 0.692 912 G HN 2.172 nan 8.290 nan 0.000 0.526 913 G N -1.125 107.644 108.800 -0.052 0.000 2.670 913 G HA2 0.456 4.416 3.960 -0.000 0.000 0.233 913 G HA3 0.456 4.416 3.960 -0.000 0.000 0.233 913 G C 1.098 175.972 174.900 -0.043 0.000 1.251 913 G CA 1.200 46.278 45.100 -0.036 0.000 0.849 913 G HN 1.475 nan 8.290 nan 0.000 0.588 914 T N -2.401 112.130 114.554 -0.039 0.000 3.029 914 T HA 0.555 4.905 4.350 -0.000 0.000 0.256 914 T C 1.106 175.783 174.700 -0.038 0.000 0.914 914 T CA 0.811 62.883 62.100 -0.048 0.000 0.880 914 T CB -0.000 68.832 68.868 -0.060 0.000 1.246 914 T HN 1.076 nan 8.240 nan 0.000 0.523 915 A N 2.103 124.906 122.820 -0.029 0.000 2.327 915 A HA 0.609 4.929 4.320 -0.000 0.000 0.255 915 A C 0.157 177.729 177.584 -0.020 0.000 1.099 915 A CA -0.487 51.529 52.037 -0.034 0.000 0.801 915 A CB -0.244 18.742 19.000 -0.023 0.000 1.062 915 A HN 0.478 nan 8.150 nan 0.000 0.496 916 N N -0.555 118.112 118.700 -0.055 0.000 2.453 916 N HA 0.404 5.144 4.740 -0.000 0.000 0.253 916 N C 1.187 176.764 175.510 0.112 0.000 1.252 916 N CA 1.543 54.578 53.050 -0.024 0.000 0.917 916 N CB 0.492 38.817 38.487 -0.270 0.000 1.117 916 N HN 1.235 nan 8.380 nan 0.000 0.442 917 G N -0.457 108.481 108.800 0.230 0.000 2.199 917 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 917 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 917 G C 0.135 175.106 174.900 0.119 0.000 0.982 917 G CA 0.464 45.672 45.100 0.179 0.000 0.632 917 G HN 0.648 nan 8.290 nan 0.000 0.529 918 T N 2.479 117.094 114.554 0.101 0.000 2.871 918 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 918 T C 1.046 175.800 174.700 0.090 0.000 0.998 918 T CA 0.172 62.317 62.100 0.075 0.000 1.162 918 T CB 0.626 69.527 68.868 0.056 0.000 0.947 918 T HN 0.371 nan 8.240 nan 0.000 0.536 919 L N 4.035 125.303 121.223 0.074 0.000 2.436 919 L HA 0.377 4.717 4.340 -0.000 0.000 0.265 919 L C 0.378 177.294 176.870 0.077 0.000 1.168 919 L CA -0.820 54.066 54.840 0.075 0.000 0.815 919 L CB 0.372 42.470 42.059 0.065 0.000 1.109 919 L HN 0.398 nan 8.230 nan 0.000 0.462 920 I N 2.026 122.638 120.570 0.070 0.000 2.412 920 I HA 0.340 4.510 4.170 -0.000 0.000 0.296 920 I C 0.037 176.190 176.117 0.060 0.000 0.987 920 I CA -0.237 61.101 61.300 0.063 0.000 1.180 920 I CB 1.443 39.437 38.000 -0.010 0.000 1.340 920 I HN 0.750 nan 8.210 nan 0.000 0.455 921 Q N 5.652 125.504 119.800 0.087 0.000 2.683 921 Q HA 0.744 5.084 4.340 -0.000 0.000 0.302 921 Q C -1.708 174.383 176.000 0.152 0.000 1.042 921 Q CA -1.014 54.857 55.803 0.113 0.000 0.773 921 Q CB 2.395 31.208 28.738 0.125 0.000 1.508 921 Q HN 0.435 nan 8.270 nan 0.000 0.459 922 L N 0.646 121.975 121.223 0.177 0.000 2.360 922 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 922 L C -1.198 175.827 176.870 0.259 0.000 1.057 922 L CA -0.886 54.071 54.840 0.196 0.000 0.803 922 L CB 1.182 43.331 42.059 0.150 0.000 1.207 922 L HN 0.691 nan 8.230 nan 0.000 0.445 923 Y N -0.450 119.894 120.300 0.073 0.000 2.638 923 Y HA 0.118 4.668 4.550 -0.000 0.000 0.334 923 Y C -0.198 175.730 175.900 0.047 0.000 1.182 923 Y CA -0.782 57.350 58.100 0.053 0.000 1.102 923 Y CB 1.644 40.134 38.460 0.050 0.000 1.343 923 Y HN 0.531 nan 8.280 nan 0.000 0.463 924 S N 2.165 117.732 115.700 -0.222 0.000 2.642 924 S HA -0.020 4.450 4.470 -0.000 0.000 0.308 924 S C -0.299 174.378 174.600 0.129 0.000 1.255 924 S CA 0.073 58.240 58.200 -0.056 0.000 1.057 924 S CB -0.402 62.725 63.200 -0.122 0.000 0.785 924 S HN 0.595 nan 8.310 nan 0.000 0.500 925 c N 4.356 123.005 118.600 0.082 0.000 2.634 925 c HA 0.364 4.934 4.570 -0.000 0.000 0.418 925 c C 1.661 175.801 174.090 0.083 0.000 1.373 925 c CA -0.285 56.100 56.329 0.093 0.000 1.756 925 c CB -0.942 41.605 42.510 0.063 0.000 2.589 925 c HN 1.065 nan 8.230 nan 0.000 0.602 926 S N 2.694 118.443 115.700 0.080 0.000 4.422 926 S HA 0.466 4.936 4.470 -0.000 0.000 0.210 926 S C 0.302 174.918 174.600 0.027 0.000 1.082 926 S CA -0.319 57.913 58.200 0.053 0.000 1.813 926 S CB 0.710 63.941 63.200 0.053 0.000 0.877 926 S HN 0.712 nan 8.310 nan 0.000 0.755 927 N N 0.083 118.786 118.700 0.005 0.000 1.938 927 N HA 0.212 4.952 4.740 -0.000 0.000 0.225 927 N C 0.446 175.931 175.510 -0.041 0.000 1.400 927 N CA 0.338 53.379 53.050 -0.014 0.000 0.772 927 N CB 0.591 39.071 38.487 -0.012 0.000 1.124 927 N HN 0.708 nan 8.380 nan 0.000 0.513 928 G N 1.154 109.928 108.800 -0.044 0.000 2.562 928 G HA2 0.057 4.017 3.960 -0.000 0.000 0.233 928 G HA3 0.057 4.017 3.960 -0.000 0.000 0.233 928 G C 1.121 175.947 174.900 -0.123 0.000 1.266 928 G CA 0.452 45.508 45.100 -0.074 0.000 0.852 928 G HN 0.171 nan 8.290 nan 0.000 0.581 929 S N 0.520 116.135 115.700 -0.141 0.000 2.442 929 S HA -0.175 4.295 4.470 -0.000 0.000 0.236 929 S C 1.776 176.195 174.600 -0.303 0.000 1.007 929 S CA 1.130 59.210 58.200 -0.200 0.000 0.965 929 S CB -0.240 62.862 63.200 -0.163 0.000 0.773 929 S HN 0.791 nan 8.310 nan 0.000 0.504 930 N N 0.934 119.484 118.700 -0.250 0.000 2.449 930 N HA -0.013 4.727 4.740 -0.000 0.000 0.191 930 N C 1.007 176.327 175.510 -0.317 0.000 1.161 930 N CA 0.288 53.165 53.050 -0.289 0.000 0.863 930 N CB -0.241 38.147 38.487 -0.166 0.000 0.980 930 N HN 0.608 nan 8.380 nan 0.000 0.458 931 Q N -0.678 118.938 119.800 -0.306 0.000 2.140 931 Q HA 0.260 4.600 4.340 -0.000 0.000 0.227 931 Q C -0.387 175.448 176.000 -0.275 0.000 0.798 931 Q CA -0.310 55.408 55.803 -0.141 0.000 0.987 931 Q CB 1.035 29.784 28.738 0.018 0.000 1.161 931 Q HN 0.125 nan 8.270 nan 0.000 0.480 932 R N -0.354 119.801 120.500 -0.575 0.000 2.540 932 R HA 0.439 4.779 4.340 -0.000 0.000 0.287 932 R C -1.526 174.271 176.300 -0.837 0.000 0.980 932 R CA 0.164 55.995 56.100 -0.449 0.000 0.966 932 R CB 0.875 31.027 30.300 -0.245 0.000 1.106 932 R HN -0.062 nan 8.270 nan 0.000 0.480 933 W N -0.185 121.068 121.300 -0.078 0.000 3.031 933 W HA 0.519 5.179 4.660 0.000 0.000 0.337 933 W C -0.765 175.708 176.519 -0.078 0.000 1.187 933 W CA -0.619 56.672 57.345 -0.090 0.000 1.166 933 W CB 1.677 31.056 29.460 -0.136 0.000 1.437 933 W HN 0.249 nan 8.180 nan 0.000 0.551 934 T N 2.546 117.195 114.554 0.159 0.000 2.848 934 T HA 0.412 4.762 4.350 -0.000 0.000 0.285 934 T C -0.420 174.324 174.700 0.072 0.000 0.995 934 T CA -0.975 61.171 62.100 0.077 0.000 0.970 934 T CB 1.081 69.972 68.868 0.038 0.000 0.976 934 T HN 0.065 nan 8.240 nan 0.000 0.441 935 R N 2.870 123.395 120.500 0.041 0.000 2.210 935 R HA 0.483 4.823 4.340 -0.000 0.000 0.338 935 R C 0.027 176.349 176.300 0.036 0.000 1.062 935 R CA -0.131 55.987 56.100 0.030 0.000 0.902 935 R CB 0.498 30.805 30.300 0.012 0.000 1.050 935 R HN 0.641 nan 8.270 nan 0.000 0.461 936 T N 0.000 114.581 114.554 0.045 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.124 62.100 0.039 0.000 1.349 936 T CB 0.000 68.893 68.868 0.042 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658