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 1xyf_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 NGGXXXXXXX XXGQIKGVGS 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 0.000 177.578 177.584 -0.010 0.000 1.274 501 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 501 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 502 E N 1.005 121.198 120.200 -0.012 0.000 2.482 502 E HA -0.042 4.308 4.350 -0.000 0.000 0.200 502 E C 0.836 177.424 176.600 -0.020 0.000 1.147 502 E CA 1.119 57.507 56.400 -0.021 0.000 0.912 502 E CB -0.256 29.433 29.700 -0.019 0.000 0.938 502 E HN 0.705 nan 8.360 nan 0.000 0.519 503 S N -0.384 115.311 115.700 -0.009 0.000 2.502 503 S HA 0.015 4.485 4.470 -0.000 0.000 0.215 503 S C 0.889 175.508 174.600 0.031 0.000 1.009 503 S CA 0.137 58.343 58.200 0.011 0.000 0.908 503 S CB 0.099 63.306 63.200 0.012 0.000 0.801 503 S HN 0.324 nan 8.310 nan 0.000 0.505 504 T N -0.740 113.812 114.554 -0.003 0.000 2.908 504 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 504 T C 0.943 175.585 174.700 -0.097 0.000 1.034 504 T CA -0.934 61.160 62.100 -0.010 0.000 1.010 504 T CB 1.334 70.186 68.868 -0.028 0.000 1.068 504 T HN 0.020 nan 8.240 nan 0.000 0.481 505 L N 1.420 122.523 121.223 -0.201 0.000 2.012 505 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 505 L C 2.960 179.756 176.870 -0.123 0.000 1.073 505 L CA 1.960 56.574 54.840 -0.378 0.000 0.748 505 L CB -1.062 40.564 42.059 -0.723 0.000 0.891 505 L HN 0.988 nan 8.230 nan 0.000 0.431 506 G N -0.534 108.265 108.800 -0.001 0.000 2.433 506 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 506 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 506 G C 1.764 176.717 174.900 0.089 0.000 1.186 506 G CA 0.818 46.004 45.100 0.143 0.000 0.779 506 G HN 0.471 nan 8.290 nan 0.000 0.543 507 A N 1.008 123.847 122.820 0.031 0.000 1.933 507 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 507 A C 2.766 180.358 177.584 0.013 0.000 1.175 507 A CA 2.227 54.277 52.037 0.021 0.000 0.628 507 A CB -0.651 18.351 19.000 0.003 0.000 0.814 507 A HN 0.782 nan 8.150 nan 0.000 0.444 508 A N -0.309 122.504 122.820 -0.012 0.000 1.929 508 A HA 0.253 4.573 4.320 -0.000 0.000 0.216 508 A C 2.445 180.035 177.584 0.010 0.000 1.176 508 A CA 1.758 53.781 52.037 -0.024 0.000 0.628 508 A CB -0.825 18.127 19.000 -0.080 0.000 0.816 508 A HN 0.977 nan 8.150 nan 0.000 0.444 509 A N -0.127 122.725 122.820 0.052 0.000 1.930 509 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 509 A C 2.380 180.009 177.584 0.075 0.000 1.175 509 A CA 1.624 53.720 52.037 0.099 0.000 0.627 509 A CB -0.851 18.279 19.000 0.215 0.000 0.815 509 A HN 1.038 nan 8.150 nan 0.000 0.443 510 A N -0.595 122.272 122.820 0.079 0.000 2.125 510 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 510 A C 1.929 179.537 177.584 0.041 0.000 1.156 510 A CA 1.369 53.446 52.037 0.067 0.000 0.671 510 A CB -0.487 18.553 19.000 0.067 0.000 0.794 510 A HN 0.678 nan 8.150 nan 0.000 0.459 511 Q N -0.214 119.604 119.800 0.029 0.000 2.436 511 Q HA -0.047 4.292 4.340 -0.000 0.000 0.209 511 Q C 1.412 177.422 176.000 0.016 0.000 0.965 511 Q CA 1.178 56.991 55.803 0.018 0.000 0.910 511 Q CB -0.024 28.719 28.738 0.008 0.000 0.980 511 Q HN 0.768 nan 8.270 nan 0.000 0.491 512 S N -2.089 113.623 115.700 0.020 0.000 2.749 512 S HA 0.362 4.832 4.470 -0.000 0.000 0.246 512 S C 1.037 175.647 174.600 0.016 0.000 1.023 512 S CA 0.088 58.297 58.200 0.014 0.000 1.012 512 S CB 0.900 64.106 63.200 0.009 0.000 0.942 512 S HN 0.393 nan 8.310 nan 0.000 0.531 513 G N 1.447 110.264 108.800 0.028 0.000 2.155 513 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 513 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 513 G C 0.134 175.058 174.900 0.041 0.000 0.983 513 G CA 0.353 45.475 45.100 0.037 0.000 0.676 513 G HN 0.644 nan 8.290 nan 0.000 0.528 514 R N -1.135 119.381 120.500 0.028 0.000 2.810 514 R HA 0.734 5.074 4.340 -0.000 0.000 0.245 514 R C 0.119 176.455 176.300 0.059 0.000 1.168 514 R CA -0.588 55.495 56.100 -0.027 0.000 1.096 514 R CB 0.744 30.988 30.300 -0.094 0.000 1.259 514 R HN 0.470 nan 8.270 nan 0.000 0.518 515 Y N -1.667 118.692 120.300 0.098 0.000 2.630 515 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 515 Y C -1.223 174.790 175.900 0.190 0.000 1.051 515 Y CA -1.787 56.392 58.100 0.131 0.000 1.121 515 Y CB 1.084 39.598 38.460 0.090 0.000 1.299 515 Y HN 0.408 nan 8.280 nan 0.000 0.498 516 F N 1.296 121.490 119.950 0.407 0.000 2.612 516 F HA 0.759 5.286 4.527 -0.000 0.000 0.332 516 F C -0.049 176.077 175.800 0.544 0.000 1.167 516 F CA -0.749 57.487 58.000 0.393 0.000 0.970 516 F CB 1.454 40.611 39.000 0.262 0.000 1.234 516 F HN 0.953 nan 8.300 nan 0.000 0.453 517 G N 1.924 110.978 108.800 0.422 0.000 3.108 517 G HA2 0.651 4.611 3.960 -0.000 0.000 0.268 517 G HA3 0.651 4.611 3.960 -0.000 0.000 0.268 517 G C -1.315 173.506 174.900 -0.132 0.000 1.361 517 G CA -0.697 44.560 45.100 0.260 0.000 1.047 517 G HN 0.600 nan 8.290 nan 0.000 0.540 518 T N -2.009 112.310 114.554 -0.392 0.000 2.787 518 T HA 0.621 4.971 4.350 -0.000 0.000 0.297 518 T C -1.034 173.440 174.700 -0.377 0.000 1.221 518 T CA 0.207 61.958 62.100 -0.583 0.000 1.006 518 T CB 1.348 69.424 68.868 -1.320 0.000 1.328 518 T HN 1.227 nan 8.240 nan 0.000 0.509 519 A N 2.608 125.148 122.820 -0.467 0.000 2.290 519 A HA 0.712 5.032 4.320 -0.000 0.000 0.310 519 A C -0.514 176.804 177.584 -0.443 0.000 1.202 519 A CA -0.525 51.127 52.037 -0.642 0.000 0.837 519 A CB 0.070 18.193 19.000 -1.462 0.000 1.139 519 A HN 0.631 nan 8.150 nan 0.000 0.509 520 I N 1.932 122.315 120.570 -0.312 0.000 2.404 520 I HA 0.486 4.656 4.170 -0.000 0.000 0.293 520 I C 0.502 176.519 176.117 -0.167 0.000 0.992 520 I CA -0.298 60.892 61.300 -0.184 0.000 1.149 520 I CB 1.334 39.217 38.000 -0.194 0.000 1.315 520 I HN 0.709 nan 8.210 nan 0.000 0.446 521 A N 4.229 126.971 122.820 -0.131 0.000 2.260 521 A HA 0.463 4.783 4.320 -0.000 0.000 0.314 521 A C 1.040 178.502 177.584 -0.203 0.000 1.257 521 A CA -0.269 51.661 52.037 -0.178 0.000 0.871 521 A CB 0.685 19.555 19.000 -0.217 0.000 1.166 521 A HN 0.828 nan 8.150 nan 0.000 0.522 522 S N 2.544 118.163 115.700 -0.135 0.000 2.400 522 S HA -0.122 4.348 4.470 -0.000 0.000 0.232 522 S C 1.763 176.274 174.600 -0.148 0.000 1.025 522 S CA 1.518 59.646 58.200 -0.120 0.000 0.993 522 S CB -0.602 62.577 63.200 -0.035 0.000 0.808 522 S HN 1.205 nan 8.310 nan 0.000 0.478 523 G N 1.409 110.117 108.800 -0.153 0.000 2.498 523 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.219 523 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.219 523 G C 1.355 176.116 174.900 -0.231 0.000 1.119 523 G CA 0.403 45.411 45.100 -0.153 0.000 0.766 523 G HN 0.620 nan 8.290 nan 0.000 0.552 524 K N -0.357 119.814 120.400 -0.383 0.000 2.358 524 K HA 0.353 4.673 4.320 -0.000 0.000 0.197 524 K C 1.767 178.099 176.600 -0.447 0.000 1.025 524 K CA -0.339 55.595 56.287 -0.588 0.000 1.104 524 K CB 0.296 32.039 32.500 -1.260 0.000 0.855 524 K HN 0.215 nan 8.250 nan 0.000 0.531 525 L N 0.206 121.257 121.223 -0.286 0.000 2.362 525 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 525 L C 1.951 178.777 176.870 -0.073 0.000 1.134 525 L CA 0.928 55.647 54.840 -0.202 0.000 0.807 525 L CB -0.208 41.696 42.059 -0.259 0.000 0.927 525 L HN 0.292 nan 8.230 nan 0.000 0.447 526 G N -1.566 107.188 108.800 -0.077 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 0.105 174.996 174.900 -0.016 0.000 1.165 526 G CA -0.145 44.940 45.100 -0.026 0.000 0.776 526 G HN 0.161 nan 8.290 nan 0.000 0.541 527 D N 0.715 121.098 120.400 -0.027 0.000 2.443 527 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 527 D C 1.811 178.155 176.300 0.073 0.000 1.097 527 D CA -0.186 53.816 54.000 0.003 0.000 0.865 527 D CB 1.164 41.936 40.800 -0.046 0.000 1.034 527 D HN 0.068 nan 8.370 nan 0.000 0.511 528 S N 2.675 118.411 115.700 0.059 0.000 2.419 528 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 528 S C 1.980 176.617 174.600 0.062 0.000 1.019 528 S CA 0.752 58.994 58.200 0.070 0.000 0.982 528 S CB -0.175 63.055 63.200 0.050 0.000 0.789 528 S HN 0.450 nan 8.310 nan 0.000 0.490 529 A N 0.982 123.836 122.820 0.056 0.000 1.898 529 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 529 A C 2.011 179.621 177.584 0.043 0.000 1.181 529 A CA 1.417 53.476 52.037 0.036 0.000 0.620 529 A CB -1.139 17.883 19.000 0.036 0.000 0.819 529 A HN 0.615 nan 8.150 nan 0.000 0.442 530 Y N 1.734 121.997 120.300 -0.062 0.000 2.109 530 Y HA -0.225 4.325 4.550 -0.000 0.000 0.285 530 Y C 2.923 178.779 175.900 -0.073 0.000 1.131 530 Y CA 2.754 60.801 58.100 -0.087 0.000 1.121 530 Y CB -0.677 37.717 38.460 -0.109 0.000 0.987 530 Y HN 0.421 nan 8.280 nan 0.000 0.495 531 T N -3.657 110.944 114.554 0.078 0.000 2.962 531 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 531 T C 1.772 176.542 174.700 0.117 0.000 1.088 531 T CA 1.584 63.735 62.100 0.086 0.000 1.127 531 T CB -0.913 68.104 68.868 0.247 0.000 0.883 531 T HN 0.333 nan 8.240 nan 0.000 0.493 532 T N 1.949 116.526 114.554 0.037 0.000 2.777 532 T HA 0.153 4.503 4.350 -0.000 0.000 0.266 532 T C 1.843 176.506 174.700 -0.061 0.000 1.040 532 T CA 1.112 63.216 62.100 0.006 0.000 1.141 532 T CB -0.352 68.508 68.868 -0.013 0.000 0.868 532 T HN 0.414 nan 8.240 nan 0.000 0.444 533 I N 1.022 121.496 120.570 -0.159 0.000 2.233 533 I HA -0.096 4.074 4.170 -0.000 0.000 0.243 533 I C 2.906 178.909 176.117 -0.191 0.000 1.093 533 I CA 0.964 62.079 61.300 -0.309 0.000 1.380 533 I CB -0.463 37.196 38.000 -0.569 0.000 1.067 533 I HN 0.176 nan 8.210 nan 0.000 0.413 534 A N 1.015 123.775 122.820 -0.100 0.000 1.902 534 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 534 A C 2.499 180.301 177.584 0.363 0.000 1.181 534 A CA 2.234 54.372 52.037 0.170 0.000 0.623 534 A CB -0.829 18.085 19.000 -0.142 0.000 0.818 534 A HN 0.520 nan 8.150 nan 0.000 0.443 535 S N -0.518 115.377 115.700 0.324 0.000 2.402 535 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 535 S C 2.006 176.621 174.600 0.025 0.000 1.021 535 S CA 1.119 59.400 58.200 0.136 0.000 0.974 535 S CB -0.361 62.857 63.200 0.029 0.000 0.800 535 S HN 0.624 nan 8.310 nan 0.000 0.484 536 R N 1.112 121.611 120.500 -0.002 0.000 2.062 536 R HA 0.042 4.382 4.340 -0.000 0.000 0.226 536 R C 1.788 178.033 176.300 -0.092 0.000 1.125 536 R CA 1.302 57.370 56.100 -0.053 0.000 0.966 536 R CB -0.032 30.226 30.300 -0.070 0.000 0.861 536 R HN 0.368 nan 8.270 nan 0.000 0.433 537 E N -0.545 119.531 120.200 -0.206 0.000 2.340 537 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 537 E C -0.278 176.026 176.600 -0.495 0.000 0.996 537 E CA 0.435 56.579 56.400 -0.427 0.000 0.869 537 E CB 0.332 29.574 29.700 -0.764 0.000 0.835 537 E HN 0.126 nan 8.360 nan 0.000 0.493 538 F N 1.605 121.636 119.950 0.136 0.000 2.522 538 F HA 0.245 4.772 4.527 -0.000 0.000 0.324 538 F C 1.035 176.911 175.800 0.126 0.000 1.077 538 F CA -1.142 56.969 58.000 0.187 0.000 0.944 538 F CB 0.956 40.074 39.000 0.196 0.000 1.175 538 F HN -0.184 nan 8.300 nan 0.000 0.468 539 N N 1.010 119.911 118.700 0.336 0.000 2.238 539 N HA 0.305 5.045 4.740 -0.000 0.000 0.235 539 N C -0.729 174.844 175.510 0.106 0.000 1.209 539 N CA -0.066 53.090 53.050 0.178 0.000 0.879 539 N CB 0.771 39.348 38.487 0.150 0.000 1.136 539 N HN 0.600 nan 8.380 nan 0.000 0.517 540 M N 0.412 120.081 119.600 0.115 0.000 2.371 540 M HA 0.529 5.009 4.480 -0.000 0.000 0.287 540 M C -2.251 174.030 176.300 -0.031 0.000 1.149 540 M CA -0.702 54.551 55.300 -0.078 0.000 0.929 540 M CB 2.358 34.756 32.600 -0.337 0.000 1.683 540 M HN -0.171 nan 8.290 nan 0.000 0.470 541 V N 3.204 123.074 119.914 -0.074 0.000 2.604 541 V HA 0.787 4.907 4.120 -0.000 0.000 0.305 541 V C -0.615 175.418 176.094 -0.102 0.000 1.043 541 V CA -0.492 61.776 62.300 -0.053 0.000 0.888 541 V CB 2.448 34.296 31.823 0.042 0.000 0.995 541 V HN 0.903 nan 8.190 nan 0.000 0.429 542 T N 3.551 118.036 114.554 -0.115 0.000 2.824 542 T HA 0.648 4.997 4.350 -0.000 0.000 0.282 542 T C 0.012 174.634 174.700 -0.130 0.000 0.993 542 T CA -0.283 61.758 62.100 -0.098 0.000 0.967 542 T CB 1.642 70.508 68.868 -0.002 0.000 0.960 542 T HN 0.929 nan 8.240 nan 0.000 0.441 543 A N 2.040 124.819 122.820 -0.068 0.000 2.454 543 A HA 0.275 4.595 4.320 -0.000 0.000 0.260 543 A C 1.350 178.905 177.584 -0.049 0.000 1.106 543 A CA -0.354 51.655 52.037 -0.047 0.000 0.780 543 A CB 0.031 19.047 19.000 0.027 0.000 1.044 543 A HN 1.055 nan 8.150 nan 0.000 0.498 544 E N 1.950 122.051 120.200 -0.166 0.000 2.110 544 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 544 E C 0.655 177.304 176.600 0.082 0.000 0.988 544 E CA 1.618 57.894 56.400 -0.207 0.000 0.804 544 E CB 0.091 29.572 29.700 -0.366 0.000 0.745 544 E HN 0.814 nan 8.360 nan 0.000 0.458 545 N N -1.076 117.678 118.700 0.091 0.000 2.104 545 N HA -0.012 4.728 4.740 -0.000 0.000 0.227 545 N C 0.748 176.355 175.510 0.162 0.000 1.321 545 N CA 0.153 53.297 53.050 0.157 0.000 0.877 545 N CB 0.427 38.976 38.487 0.104 0.000 1.117 545 N HN -0.008 nan 8.380 nan 0.000 0.486 546 E N 0.791 121.071 120.200 0.133 0.000 2.338 546 E HA 0.084 4.434 4.350 -0.000 0.000 0.197 546 E C 1.134 177.871 176.600 0.227 0.000 1.007 546 E CA 0.915 57.409 56.400 0.156 0.000 0.849 546 E CB -0.001 29.779 29.700 0.132 0.000 0.774 546 E HN 0.325 nan 8.360 nan 0.000 0.506 547 M N -0.010 119.740 119.600 0.249 0.000 2.405 547 M HA 0.150 4.630 4.480 -0.000 0.000 0.292 547 M C -0.088 176.431 176.300 0.365 0.000 1.111 547 M CA -0.094 55.411 55.300 0.341 0.000 0.979 547 M CB 0.586 33.363 32.600 0.296 0.000 1.426 547 M HN -0.161 nan 8.290 nan 0.000 0.509 548 K N 0.583 121.158 120.400 0.291 0.000 2.149 548 K HA 0.223 4.543 4.320 -0.000 0.000 0.245 548 K C 1.062 177.823 176.600 0.268 0.000 1.024 548 K CA -0.194 56.257 56.287 0.273 0.000 0.899 548 K CB 1.219 33.879 32.500 0.265 0.000 1.038 548 K HN 0.103 nan 8.250 nan 0.000 0.496 549 I N 1.262 121.942 120.570 0.183 0.000 2.163 549 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 549 I C 1.948 178.052 176.117 -0.021 0.000 1.085 549 I CA 1.471 62.758 61.300 -0.021 0.000 1.347 549 I CB -0.509 37.317 38.000 -0.290 0.000 1.044 549 I HN 0.722 nan 8.210 nan 0.000 0.408 550 D N 1.798 122.178 120.400 -0.033 0.000 2.144 550 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 550 D C 2.005 178.332 176.300 0.044 0.000 0.984 550 D CA 1.543 55.525 54.000 -0.031 0.000 0.834 550 D CB -0.447 40.312 40.800 -0.067 0.000 0.955 550 D HN 0.352 nan 8.370 nan 0.000 0.465 551 A N 0.343 123.217 122.820 0.090 0.000 1.968 551 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 551 A C 2.311 179.960 177.584 0.109 0.000 1.169 551 A CA 2.192 54.291 52.037 0.104 0.000 0.638 551 A CB -0.822 18.262 19.000 0.140 0.000 0.812 551 A HN 0.456 nan 8.150 nan 0.000 0.446 552 T N -3.452 111.212 114.554 0.183 0.000 3.037 552 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 552 T C 0.640 175.390 174.700 0.082 0.000 1.073 552 T CA 0.786 62.978 62.100 0.154 0.000 1.091 552 T CB 0.122 69.228 68.868 0.396 0.000 0.935 552 T HN 0.431 nan 8.240 nan 0.000 0.488 553 E N 1.597 121.879 120.200 0.136 0.000 3.386 553 E HA 0.272 4.622 4.350 -0.000 0.000 0.236 553 E C -2.361 174.327 176.600 0.145 0.000 1.227 553 E CA -2.097 54.284 56.400 -0.032 0.000 0.970 553 E CB 1.360 31.079 29.700 0.031 0.000 1.343 553 E HN 0.107 nan 8.360 nan 0.000 0.397 554 P HA -0.146 nan 4.420 nan 0.000 0.218 554 P C -0.090 177.322 177.300 0.187 0.000 1.148 554 P CA 1.111 64.280 63.100 0.115 0.000 0.822 554 P CB 0.287 31.993 31.700 0.010 0.000 0.784 555 Q N -1.367 118.369 119.800 -0.106 0.000 2.423 555 Q HA 0.274 4.613 4.340 -0.000 0.000 0.278 555 Q C -0.323 175.050 176.000 -1.045 0.000 1.097 555 Q CA -1.009 54.505 55.803 -0.482 0.000 0.809 555 Q CB 2.044 30.596 28.738 -0.309 0.000 1.391 555 Q HN -0.034 nan 8.270 nan 0.000 0.428 556 R N -0.038 119.396 120.500 -1.778 0.000 2.473 556 R HA 0.136 4.476 4.340 -0.000 0.000 0.315 556 R C 0.860 176.645 176.300 -0.857 0.000 0.972 556 R CA 1.744 56.777 56.100 -1.778 0.000 1.047 556 R CB -0.388 29.053 30.300 -1.432 0.000 0.932 556 R HN 0.934 nan 8.270 nan 0.000 0.411 557 G N 3.124 111.480 108.800 -0.740 0.000 2.179 557 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.260 557 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.260 557 G C -0.140 174.518 174.900 -0.403 0.000 0.977 557 G CA 0.253 45.089 45.100 -0.440 0.000 0.641 557 G HN 0.624 nan 8.290 nan 0.000 0.533 558 Q N -0.011 119.474 119.800 -0.525 0.000 2.425 558 Q HA 0.593 4.933 4.340 -0.000 0.000 0.254 558 Q C -0.703 175.044 176.000 -0.421 0.000 1.032 558 Q CA -0.574 55.033 55.803 -0.326 0.000 0.798 558 Q CB 0.681 29.271 28.738 -0.248 0.000 1.210 558 Q HN 0.296 nan 8.270 nan 0.000 0.491 559 F N 1.723 121.558 119.950 -0.192 0.000 2.396 559 F HA 0.269 4.796 4.527 -0.000 0.000 0.343 559 F C 0.772 176.228 175.800 -0.574 0.000 1.104 559 F CA -0.483 57.275 58.000 -0.405 0.000 1.161 559 F CB 0.838 39.569 39.000 -0.447 0.000 1.146 559 F HN 0.381 nan 8.300 nan 0.000 0.522 560 N N 3.227 121.608 118.700 -0.532 0.000 2.491 560 N HA 0.242 4.982 4.740 -0.000 0.000 0.274 560 N C -0.873 174.335 175.510 -0.503 0.000 1.023 560 N CA -0.378 52.431 53.050 -0.401 0.000 0.902 560 N CB 0.623 39.012 38.487 -0.163 0.000 1.267 560 N HN 0.377 nan 8.380 nan 0.000 0.503 561 F N 0.961 120.883 119.950 -0.047 0.000 2.639 561 F HA 0.145 4.672 4.527 -0.000 0.000 0.302 561 F C 2.228 178.054 175.800 0.044 0.000 1.097 561 F CA -0.273 57.681 58.000 -0.076 0.000 1.294 561 F CB 0.014 38.681 39.000 -0.554 0.000 1.027 561 F HN 0.450 nan 8.300 nan 0.000 0.550 562 S N 0.630 116.428 115.700 0.163 0.000 2.359 562 S HA -0.253 4.217 4.470 -0.000 0.000 0.224 562 S C 2.352 177.055 174.600 0.173 0.000 1.035 562 S CA 1.190 59.482 58.200 0.155 0.000 1.018 562 S CB -0.804 62.453 63.200 0.095 0.000 0.876 562 S HN 0.272 nan 8.310 nan 0.000 0.448 563 A N 1.970 124.883 122.820 0.155 0.000 1.898 563 A HA 0.279 4.599 4.320 -0.000 0.000 0.216 563 A C 2.447 180.153 177.584 0.204 0.000 1.181 563 A CA 1.478 53.603 52.037 0.147 0.000 0.620 563 A CB -1.746 17.322 19.000 0.113 0.000 0.819 563 A HN 0.662 nan 8.150 nan 0.000 0.442 564 G N -0.176 108.798 108.800 0.289 0.000 2.418 564 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 564 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 564 G C 1.070 176.221 174.900 0.417 0.000 1.158 564 G CA 1.247 46.566 45.100 0.364 0.000 0.771 564 G HN 0.447 nan 8.290 nan 0.000 0.545 565 D N 0.175 120.845 120.400 0.451 0.000 2.178 565 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 565 D C 2.622 179.137 176.300 0.359 0.000 0.974 565 D CA 0.399 54.671 54.000 0.454 0.000 0.841 565 D CB -0.166 40.865 40.800 0.384 0.000 0.953 565 D HN 0.250 nan 8.370 nan 0.000 0.478 566 R N 0.120 120.778 120.500 0.264 0.000 2.092 566 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 566 R C 2.211 178.643 176.300 0.220 0.000 1.119 566 R CA 0.601 56.826 56.100 0.209 0.000 0.970 566 R CB -0.162 30.222 30.300 0.140 0.000 0.864 566 R HN 0.104 nan 8.270 nan 0.000 0.440 567 V N -0.072 119.966 119.914 0.206 0.000 2.379 567 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 567 V C 1.870 178.109 176.094 0.241 0.000 1.044 567 V CA 1.547 63.953 62.300 0.176 0.000 1.036 567 V CB -0.596 31.291 31.823 0.106 0.000 0.664 567 V HN 0.285 nan 8.190 nan 0.000 0.453 568 Y N 1.994 122.387 120.300 0.154 0.000 2.114 568 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 568 Y C 2.559 178.547 175.900 0.147 0.000 1.143 568 Y CA 2.118 60.294 58.100 0.128 0.000 1.135 568 Y CB -0.394 38.173 38.460 0.178 0.000 0.980 568 Y HN 0.273 nan 8.280 nan 0.000 0.499 569 N N -0.312 118.501 118.700 0.188 0.000 2.069 569 N HA -0.257 4.483 4.740 -0.000 0.000 0.191 569 N C 1.558 177.073 175.510 0.008 0.000 1.031 569 N CA 1.707 54.806 53.050 0.082 0.000 0.852 569 N CB -1.244 37.359 38.487 0.195 0.000 1.018 569 N HN 0.649 nan 8.380 nan 0.000 0.423 570 W N 1.906 123.180 121.300 -0.043 0.000 2.335 570 W HA -0.120 4.540 4.660 -0.000 0.000 0.311 570 W C 2.405 178.867 176.519 -0.094 0.000 1.213 570 W CA 2.486 59.806 57.345 -0.042 0.000 1.274 570 W CB -0.539 28.920 29.460 -0.003 0.000 1.148 570 W HN 0.107 nan 8.180 nan 0.000 0.498 571 A N 0.128 122.986 122.820 0.064 0.000 1.883 571 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 571 A C 2.086 179.476 177.584 -0.325 0.000 1.186 571 A CA 3.241 55.207 52.037 -0.119 0.000 0.624 571 A CB -1.632 17.337 19.000 -0.051 0.000 0.822 571 A HN 0.626 nan 8.150 nan 0.000 0.444 572 V N -2.251 117.425 119.914 -0.396 0.000 2.591 572 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 572 V C 2.337 178.269 176.094 -0.269 0.000 1.053 572 V CA 2.271 64.363 62.300 -0.346 0.000 1.068 572 V CB -1.017 30.556 31.823 -0.416 0.000 0.689 572 V HN 0.559 nan 8.190 nan 0.000 0.462 573 Q N 1.670 121.299 119.800 -0.286 0.000 2.170 573 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 573 Q C 1.737 177.547 176.000 -0.318 0.000 0.976 573 Q CA 2.086 57.738 55.803 -0.252 0.000 0.858 573 Q CB -0.357 28.239 28.738 -0.237 0.000 0.907 573 Q HN 0.724 nan 8.270 nan 0.000 0.433 574 N N -0.468 117.947 118.700 -0.475 0.000 2.295 574 N HA 0.138 4.878 4.740 -0.000 0.000 0.221 574 N C -0.110 175.213 175.510 -0.311 0.000 1.129 574 N CA 0.751 53.510 53.050 -0.484 0.000 0.836 574 N CB 0.778 38.734 38.487 -0.886 0.000 1.040 574 N HN 0.421 nan 8.380 nan 0.000 0.494 575 G N 1.258 109.918 108.800 -0.234 0.000 2.273 575 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 575 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 575 G C -0.087 174.740 174.900 -0.121 0.000 1.047 575 G CA 0.550 45.560 45.100 -0.151 0.000 0.869 575 G HN 0.288 nan 8.290 nan 0.000 0.502 576 K N -0.419 119.891 120.400 -0.149 0.000 2.221 576 K HA 0.657 4.977 4.320 -0.000 0.000 0.243 576 K C 0.616 177.149 176.600 -0.112 0.000 0.968 576 K CA -0.662 55.569 56.287 -0.094 0.000 0.846 576 K CB 1.427 33.892 32.500 -0.057 0.000 1.141 576 K HN 0.329 nan 8.250 nan 0.000 0.434 577 Q N 0.273 120.013 119.800 -0.100 0.000 2.185 577 Q HA 0.565 4.905 4.340 -0.000 0.000 0.225 577 Q C -0.830 175.084 176.000 -0.144 0.000 0.983 577 Q CA -1.019 54.712 55.803 -0.120 0.000 0.950 577 Q CB 1.637 30.296 28.738 -0.132 0.000 1.176 577 Q HN 0.216 nan 8.270 nan 0.000 0.510 578 V N 0.980 120.808 119.914 -0.144 0.000 2.735 578 V HA 0.447 4.567 4.120 -0.000 0.000 0.310 578 V C -0.680 175.260 176.094 -0.256 0.000 1.061 578 V CA -0.842 61.357 62.300 -0.169 0.000 0.913 578 V CB 1.967 33.734 31.823 -0.093 0.000 1.005 578 V HN 0.641 nan 8.190 nan 0.000 0.428 579 R N 2.017 122.354 120.500 -0.272 0.000 2.338 579 R HA 0.607 4.947 4.340 -0.000 0.000 0.317 579 R C 0.234 176.278 176.300 -0.426 0.000 0.968 579 R CA -0.470 55.447 56.100 -0.303 0.000 0.849 579 R CB 1.955 32.146 30.300 -0.182 0.000 1.128 579 R HN 0.923 nan 8.270 nan 0.000 0.448 580 G N 1.465 109.796 108.800 -0.782 0.000 2.353 580 G HA2 0.227 4.187 3.960 -0.000 0.000 0.284 580 G HA3 0.227 4.187 3.960 -0.000 0.000 0.284 580 G C -1.055 173.680 174.900 -0.276 0.000 1.172 580 G CA -0.047 44.322 45.100 -1.217 0.000 0.854 580 G HN 0.654 nan 8.290 nan 0.000 0.485 581 H N 0.179 119.192 119.070 -0.095 0.000 3.018 581 H HA 0.616 5.172 4.556 -0.000 0.000 0.334 581 H C -0.791 174.662 175.328 0.208 0.000 0.983 581 H CA -0.326 55.773 56.048 0.085 0.000 1.363 581 H CB 2.102 31.880 29.762 0.026 0.000 1.668 581 H HN 0.639 nan 8.280 nan 0.000 0.513 582 T N 4.379 118.906 114.554 -0.045 0.000 2.894 582 T HA 0.272 4.622 4.350 -0.000 0.000 0.309 582 T C 0.523 175.315 174.700 0.154 0.000 1.208 582 T CA -0.667 61.392 62.100 -0.068 0.000 1.016 582 T CB 1.162 69.646 68.868 -0.640 0.000 1.192 582 T HN 0.573 nan 8.240 nan 0.000 0.491 583 L N 1.859 123.163 121.223 0.134 0.000 2.202 583 L HA 0.536 4.876 4.340 -0.000 0.000 0.205 583 L C 1.176 178.180 176.870 0.223 0.000 1.083 583 L CA 0.360 55.281 54.840 0.134 0.000 0.790 583 L CB -0.086 41.915 42.059 -0.097 0.000 0.942 583 L HN 0.679 nan 8.230 nan 0.000 0.452 584 A N -1.164 121.777 122.820 0.202 0.000 2.381 584 A HA 0.583 4.903 4.320 -0.000 0.000 0.299 584 A C -2.077 175.763 177.584 0.426 0.000 1.049 584 A CA -0.214 52.008 52.037 0.309 0.000 0.715 584 A CB 1.243 20.484 19.000 0.401 0.000 1.222 584 A HN 0.139 nan 8.150 nan 0.000 0.428 585 W N 3.652 125.018 121.300 0.110 0.000 3.419 585 W HA 0.342 5.002 4.660 -0.000 0.000 0.298 585 W C 0.399 176.904 176.519 -0.023 0.000 1.260 585 W CA -0.837 56.563 57.345 0.092 0.000 1.199 585 W CB 0.801 30.243 29.460 -0.031 0.000 1.349 585 W HN 0.847 nan 8.180 nan 0.000 0.557 586 H N 1.053 120.147 119.070 0.040 0.000 2.547 586 H HA 0.176 4.732 4.556 -0.000 0.000 0.272 586 H C 0.123 175.180 175.328 -0.452 0.000 0.989 586 H CA 0.929 56.854 56.048 -0.206 0.000 1.214 586 H CB 0.147 29.846 29.762 -0.104 0.000 1.389 586 H HN 0.070 nan 8.280 nan 0.000 0.577 587 S N 0.177 114.883 115.700 -1.656 0.000 2.593 587 S HA 0.195 4.665 4.470 -0.000 0.000 0.297 587 S C -0.047 173.828 174.600 -1.209 0.000 1.112 587 S CA -0.491 56.766 58.200 -1.570 0.000 1.043 587 S CB 0.869 62.838 63.200 -2.051 0.000 1.054 587 S HN 0.528 nan 8.310 nan 0.000 0.516 588 Q N 0.729 120.079 119.800 -0.749 0.000 2.453 588 Q HA -0.203 4.137 4.340 -0.000 0.000 0.294 588 Q C -0.594 175.199 176.000 -0.345 0.000 1.295 588 Q CA 0.650 56.184 55.803 -0.448 0.000 0.853 588 Q CB -1.291 27.238 28.738 -0.348 0.000 1.193 588 Q HN 0.674 nan 8.270 nan 0.000 0.461 589 Q N 1.123 120.695 119.800 -0.381 0.000 2.293 589 Q HA 0.315 4.655 4.340 -0.000 0.000 0.251 589 Q C -1.927 173.838 176.000 -0.392 0.000 0.930 589 Q CA -1.748 53.820 55.803 -0.392 0.000 0.893 589 Q CB 0.849 29.337 28.738 -0.416 0.000 1.215 589 Q HN 0.129 nan 8.270 nan 0.000 0.425 590 P HA -0.067 nan 4.420 nan 0.000 0.270 590 P C 0.391 177.400 177.300 -0.484 0.000 1.223 590 P CA 0.126 62.974 63.100 -0.421 0.000 0.785 590 P CB 0.617 32.071 31.700 -0.411 0.000 0.923 591 G N 1.950 110.603 108.800 -0.245 0.000 2.513 591 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 591 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 591 G C 1.413 176.224 174.900 -0.149 0.000 1.160 591 G CA 0.690 45.695 45.100 -0.158 0.000 0.767 591 G HN 0.767 nan 8.290 nan 0.000 0.571 592 W N 0.024 121.270 121.300 -0.090 0.000 2.350 592 W HA -0.018 4.642 4.660 -0.000 0.000 0.289 592 W C 2.109 178.574 176.519 -0.090 0.000 1.215 592 W CA 1.164 58.457 57.345 -0.086 0.000 1.236 592 W CB -0.823 28.581 29.460 -0.092 0.000 1.130 592 W HN 0.299 nan 8.180 nan 0.000 0.541 593 M N 1.396 120.405 119.600 -0.985 0.000 2.288 593 M HA -0.120 4.360 4.480 -0.000 0.000 0.266 593 M C 2.360 178.400 176.300 -0.433 0.000 1.072 593 M CA 1.538 56.302 55.300 -0.894 0.000 1.132 593 M CB -0.244 31.540 32.600 -1.360 0.000 1.386 593 M HN -0.019 nan 8.290 nan 0.000 0.432 594 Q N -0.517 119.055 119.800 -0.379 0.000 2.291 594 Q HA -0.100 4.240 4.340 -0.000 0.000 0.206 594 Q C 1.678 177.585 176.000 -0.156 0.000 0.976 594 Q CA 1.570 57.225 55.803 -0.246 0.000 0.875 594 Q CB -0.008 28.601 28.738 -0.217 0.000 0.927 594 Q HN 0.472 nan 8.270 nan 0.000 0.450 595 S N 0.170 115.799 115.700 -0.117 0.000 2.527 595 S HA 0.087 4.557 4.470 -0.000 0.000 0.222 595 S C 0.630 175.207 174.600 -0.038 0.000 0.985 595 S CA 0.186 58.353 58.200 -0.055 0.000 0.921 595 S CB 0.143 63.339 63.200 -0.007 0.000 0.772 595 S HN 0.213 nan 8.310 nan 0.000 0.529 596 L N 1.923 123.114 121.223 -0.053 0.000 2.399 596 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 596 L C 0.343 177.180 176.870 -0.056 0.000 1.114 596 L CA -0.464 54.359 54.840 -0.028 0.000 0.804 596 L CB 1.167 43.228 42.059 0.005 0.000 1.146 596 L HN 0.151 nan 8.230 nan 0.000 0.451 597 S N -0.235 115.442 115.700 -0.037 0.000 2.625 597 S HA 0.841 5.311 4.470 -0.000 0.000 0.271 597 S C -0.104 174.478 174.600 -0.030 0.000 1.161 597 S CA -0.265 57.905 58.200 -0.049 0.000 0.820 597 S CB 1.430 64.601 63.200 -0.047 0.000 1.137 597 S HN 1.228 nan 8.310 nan 0.000 0.470 598 G N 1.896 110.675 108.800 -0.034 0.000 2.564 598 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.273 598 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.273 598 G C 1.054 175.953 174.900 -0.002 0.000 1.242 598 G CA 1.427 46.518 45.100 -0.015 0.000 0.951 598 G HN 2.200 nan 8.290 nan 0.000 0.564 599 S N -1.411 114.295 115.700 0.011 0.000 2.419 599 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 599 S C 2.183 176.801 174.600 0.029 0.000 1.016 599 S CA 2.484 60.698 58.200 0.023 0.000 0.974 599 S CB -0.655 62.559 63.200 0.024 0.000 0.786 599 S HN 1.136 nan 8.310 nan 0.000 0.492 600 T N 2.714 117.284 114.554 0.025 0.000 2.777 600 T HA 0.120 4.470 4.350 -0.000 0.000 0.266 600 T C 1.690 176.422 174.700 0.053 0.000 1.040 600 T CA 1.031 63.155 62.100 0.039 0.000 1.141 600 T CB -0.445 68.444 68.868 0.035 0.000 0.868 600 T HN 0.291 nan 8.240 nan 0.000 0.444 601 L N 0.838 122.076 121.223 0.026 0.000 2.027 601 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 601 L C 2.818 179.704 176.870 0.027 0.000 1.074 601 L CA 1.565 56.410 54.840 0.008 0.000 0.745 601 L CB -0.277 41.751 42.059 -0.053 0.000 0.898 601 L HN 0.135 nan 8.230 nan 0.000 0.433 602 R N 0.204 120.720 120.500 0.028 0.000 2.103 602 R HA -0.274 4.066 4.340 -0.000 0.000 0.242 602 R C 2.204 178.555 176.300 0.085 0.000 1.142 602 R CA 2.160 58.296 56.100 0.059 0.000 0.960 602 R CB -0.601 29.736 30.300 0.062 0.000 0.858 602 R HN 0.356 nan 8.270 nan 0.000 0.439 603 Q N -0.324 119.523 119.800 0.079 0.000 2.079 603 Q HA 0.097 4.437 4.340 -0.000 0.000 0.200 603 Q C 1.895 177.968 176.000 0.122 0.000 0.974 603 Q CA 2.043 57.900 55.803 0.089 0.000 0.840 603 Q CB -0.468 28.311 28.738 0.070 0.000 0.898 603 Q HN 0.411 nan 8.270 nan 0.000 0.430 604 A N 0.431 123.337 122.820 0.144 0.000 1.940 604 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 604 A C 2.148 179.877 177.584 0.241 0.000 1.176 604 A CA 1.727 53.900 52.037 0.225 0.000 0.631 604 A CB -0.719 18.463 19.000 0.304 0.000 0.814 604 A HN 0.600 nan 8.150 nan 0.000 0.446 605 M N -0.485 119.216 119.600 0.169 0.000 2.086 605 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 605 M C 1.985 178.406 176.300 0.202 0.000 1.067 605 M CA 1.961 57.368 55.300 0.179 0.000 1.116 605 M CB -0.329 32.357 32.600 0.144 0.000 1.348 605 M HN 0.428 nan 8.290 nan 0.000 0.407 606 I N 0.566 121.230 120.570 0.157 0.000 2.163 606 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 606 I C 1.839 178.035 176.117 0.132 0.000 1.085 606 I CA 1.419 62.791 61.300 0.120 0.000 1.347 606 I CB -0.713 37.342 38.000 0.092 0.000 1.044 606 I HN 0.311 nan 8.210 nan 0.000 0.408 607 D N -0.407 120.099 120.400 0.178 0.000 2.144 607 D HA -0.240 4.400 4.640 -0.000 0.000 0.199 607 D C 2.007 178.516 176.300 0.348 0.000 0.984 607 D CA 1.443 55.576 54.000 0.222 0.000 0.834 607 D CB -0.380 40.558 40.800 0.230 0.000 0.955 607 D HN 0.424 nan 8.370 nan 0.000 0.465 608 H N 0.445 119.705 119.070 0.317 0.000 2.353 608 H HA 0.007 4.563 4.556 -0.000 0.000 0.300 608 H C 2.142 177.608 175.328 0.230 0.000 1.090 608 H CA 1.238 57.540 56.048 0.424 0.000 1.327 608 H CB -0.332 29.619 29.762 0.315 0.000 1.383 608 H HN 0.070 nan 8.280 nan 0.000 0.508 609 I N 0.188 120.774 120.570 0.027 0.000 2.179 609 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 609 I C 2.017 178.009 176.117 -0.208 0.000 1.088 609 I CA 1.302 62.513 61.300 -0.149 0.000 1.357 609 I CB -0.319 37.631 38.000 -0.083 0.000 1.051 609 I HN 0.351 nan 8.210 nan 0.000 0.409 610 N N 1.091 119.723 118.700 -0.114 0.000 2.166 610 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 610 N C 1.873 177.234 175.510 -0.249 0.000 1.019 610 N CA 1.603 54.569 53.050 -0.140 0.000 0.856 610 N CB -0.685 37.764 38.487 -0.064 0.000 0.993 610 N HN 0.441 nan 8.380 nan 0.000 0.426 611 G N 0.742 109.317 108.800 -0.375 0.000 2.404 611 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 611 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 611 G C 1.723 176.246 174.900 -0.628 0.000 1.174 611 G CA 0.802 45.351 45.100 -0.918 0.000 0.780 611 G HN 0.191 nan 8.290 nan 0.000 0.537 612 V N 1.013 120.685 119.914 -0.404 0.000 2.307 612 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 612 V C 2.887 178.914 176.094 -0.111 0.000 1.045 612 V CA 1.938 64.194 62.300 -0.073 0.000 1.024 612 V CB -0.448 31.320 31.823 -0.093 0.000 0.651 612 V HN 0.330 nan 8.190 nan 0.000 0.449 613 M N 0.370 119.803 119.600 -0.278 0.000 2.213 613 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 613 M C 2.253 178.484 176.300 -0.115 0.000 1.062 613 M CA 1.897 57.074 55.300 -0.205 0.000 1.105 613 M CB -0.794 31.604 32.600 -0.336 0.000 1.385 613 M HN 0.510 nan 8.290 nan 0.000 0.417 614 G N -1.017 107.672 108.800 -0.185 0.000 2.418 614 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 614 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 614 G C 1.182 175.939 174.900 -0.238 0.000 1.158 614 G CA 1.269 46.262 45.100 -0.179 0.000 0.771 614 G HN 0.488 nan 8.290 nan 0.000 0.545 615 H N -0.815 117.959 119.070 -0.493 0.000 2.389 615 H HA 0.000 4.556 4.556 -0.000 0.000 0.299 615 H C 1.189 176.073 175.328 -0.740 0.000 1.081 615 H CA 1.156 56.724 56.048 -0.800 0.000 1.345 615 H CB -0.043 28.704 29.762 -1.691 0.000 1.393 615 H HN 0.389 nan 8.280 nan 0.000 0.520 616 Y N 0.604 120.749 120.300 -0.257 0.000 2.571 616 Y HA 0.220 4.770 4.550 -0.000 0.000 0.275 616 Y C 0.539 176.390 175.900 -0.082 0.000 1.179 616 Y CA -0.465 57.520 58.100 -0.191 0.000 1.242 616 Y CB -0.174 38.337 38.460 0.084 0.000 1.126 616 Y HN -0.001 nan 8.280 nan 0.000 0.524 617 K N 0.546 120.937 120.400 -0.015 0.000 2.466 617 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 617 K C 1.309 177.920 176.600 0.018 0.000 1.048 617 K CA 1.280 57.574 56.287 0.011 0.000 1.088 617 K CB -0.194 32.275 32.500 -0.051 0.000 0.884 617 K HN 0.617 nan 8.250 nan 0.000 0.478 618 G N 3.665 112.504 108.800 0.064 0.000 2.189 618 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.267 618 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.267 618 G C 0.543 175.482 174.900 0.066 0.000 0.975 618 G CA 0.814 45.947 45.100 0.055 0.000 0.644 618 G HN 0.731 nan 8.290 nan 0.000 0.537 619 K N -0.696 119.752 120.400 0.080 0.000 2.355 619 K HA 0.353 4.673 4.320 -0.000 0.000 0.198 619 K C 0.369 177.043 176.600 0.123 0.000 1.039 619 K CA -0.066 56.290 56.287 0.116 0.000 1.075 619 K CB 0.864 33.380 32.500 0.027 0.000 0.870 619 K HN 0.311 nan 8.250 nan 0.000 0.540 620 I N 0.842 121.446 120.570 0.056 0.000 2.378 620 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 620 I C 1.097 177.176 176.117 -0.064 0.000 0.992 620 I CA -0.327 60.914 61.300 -0.097 0.000 1.154 620 I CB 1.195 38.983 38.000 -0.353 0.000 1.315 620 I HN -0.041 nan 8.210 nan 0.000 0.448 621 A N 6.262 129.022 122.820 -0.101 0.000 1.873 621 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 621 A C 0.791 178.358 177.584 -0.028 0.000 1.186 621 A CA 1.172 53.177 52.037 -0.053 0.000 0.616 621 A CB 0.068 19.013 19.000 -0.091 0.000 0.823 621 A HN 0.781 nan 8.150 nan 0.000 0.442 622 Q N -3.474 116.266 119.800 -0.100 0.000 2.421 622 Q HA 0.502 4.842 4.340 -0.000 0.000 0.280 622 Q C -2.018 173.927 176.000 -0.090 0.000 1.085 622 Q CA -0.425 55.371 55.803 -0.011 0.000 0.807 622 Q CB 2.030 30.774 28.738 0.010 0.000 1.405 622 Q HN 0.528 nan 8.270 nan 0.000 0.419 623 W N 1.000 122.326 121.300 0.043 0.000 2.739 623 W HA 0.310 4.970 4.660 -0.000 0.000 0.331 623 W C -0.863 175.671 176.519 0.026 0.000 1.049 623 W CA -0.439 56.922 57.345 0.026 0.000 1.234 623 W CB 1.761 31.230 29.460 0.015 0.000 1.404 623 W HN 0.438 nan 8.180 nan 0.000 0.477 624 D N 3.294 123.883 120.400 0.316 0.000 2.374 624 D HA 0.080 4.720 4.640 -0.000 0.000 0.240 624 D C 1.021 177.397 176.300 0.127 0.000 1.229 624 D CA 0.231 54.324 54.000 0.156 0.000 0.895 624 D CB 1.569 42.421 40.800 0.088 0.000 1.046 624 D HN 0.108 nan 8.370 nan 0.000 0.498 625 V N 2.387 122.313 119.914 0.019 0.000 2.283 625 V HA -0.095 4.024 4.120 -0.000 0.000 0.243 625 V C 1.056 177.044 176.094 -0.175 0.000 1.039 625 V CA 0.994 63.165 62.300 -0.214 0.000 1.016 625 V CB 0.152 31.544 31.823 -0.719 0.000 0.650 625 V HN 0.279 nan 8.190 nan 0.000 0.449 626 V N 0.544 120.383 119.914 -0.125 0.000 2.628 626 V HA 0.506 4.626 4.120 -0.000 0.000 0.306 626 V C -0.756 175.324 176.094 -0.023 0.000 1.045 626 V CA -0.684 61.658 62.300 0.070 0.000 0.905 626 V CB 1.804 33.736 31.823 0.182 0.000 0.997 626 V HN 0.481 nan 8.190 nan 0.000 0.436 627 N N 1.764 120.463 118.700 -0.001 0.000 2.296 627 N HA 0.374 5.114 4.740 -0.000 0.000 0.294 627 N C -0.527 175.023 175.510 0.066 0.000 1.033 627 N CA -0.526 52.372 53.050 -0.254 0.000 0.839 627 N CB 1.490 39.553 38.487 -0.707 0.000 1.395 627 N HN 0.736 nan 8.380 nan 0.000 0.479 628 E N 1.137 121.353 120.200 0.027 0.000 2.210 628 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 628 E C -0.175 176.715 176.600 0.483 0.000 1.339 628 E CA 0.586 57.177 56.400 0.319 0.000 0.699 628 E CB -1.214 28.842 29.700 0.593 0.000 1.126 628 E HN 0.583 nan 8.360 nan 0.000 0.355 629 A N 0.111 123.282 122.820 0.584 0.000 2.218 629 A HA 0.216 4.536 4.320 -0.000 0.000 0.209 629 A C 0.288 177.967 177.584 0.158 0.000 1.168 629 A CA 0.240 52.569 52.037 0.487 0.000 0.804 629 A CB 0.310 19.606 19.000 0.493 0.000 0.834 629 A HN 0.235 nan 8.150 nan 0.000 0.482 630 F N -0.361 119.692 119.950 0.171 0.000 2.397 630 F HA 0.500 5.027 4.527 -0.000 0.000 0.331 630 F C 1.007 176.800 175.800 -0.012 0.000 1.090 630 F CA -0.576 57.458 58.000 0.057 0.000 1.065 630 F CB 1.503 40.522 39.000 0.032 0.000 1.184 630 F HN -0.059 nan 8.300 nan 0.000 0.499 631 S N 0.551 116.305 115.700 0.090 0.000 2.592 631 S HA 0.121 4.591 4.470 -0.000 0.000 0.271 631 S C 0.447 175.064 174.600 0.029 0.000 1.326 631 S CA -0.548 57.670 58.200 0.031 0.000 1.024 631 S CB 0.438 63.639 63.200 0.002 0.000 0.921 631 S HN 0.600 nan 8.310 nan 0.000 0.527 632 D N 0.993 121.397 120.400 0.007 0.000 2.369 632 D HA 0.038 4.678 4.640 -0.000 0.000 0.211 632 D C 0.851 177.134 176.300 -0.029 0.000 1.077 632 D CA 0.152 54.141 54.000 -0.018 0.000 0.842 632 D CB 0.082 40.901 40.800 0.032 0.000 0.947 632 D HN 0.727 nan 8.370 nan 0.000 0.509 633 D N 0.141 120.534 120.400 -0.012 0.000 2.378 633 D HA -0.045 4.595 4.640 -0.000 0.000 0.227 633 D C 1.577 177.866 176.300 -0.017 0.000 1.012 633 D CA 0.927 54.919 54.000 -0.014 0.000 0.905 633 D CB -0.180 40.616 40.800 -0.007 0.000 0.895 633 D HN 0.210 nan 8.370 nan 0.000 0.532 634 G N -0.070 108.717 108.800 -0.021 0.000 2.175 634 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.244 634 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.244 634 G C 1.131 176.036 174.900 0.008 0.000 0.982 634 G CA 0.846 45.937 45.100 -0.016 0.000 0.641 634 G HN 0.672 nan 8.290 nan 0.000 0.527 635 S N -0.301 115.410 115.700 0.018 0.000 2.470 635 S HA 0.386 4.856 4.470 -0.000 0.000 0.225 635 S C 2.342 176.973 174.600 0.051 0.000 1.006 635 S CA 1.514 59.731 58.200 0.028 0.000 0.934 635 S CB 0.052 63.265 63.200 0.022 0.000 0.778 635 S HN 2.363 nan 8.310 nan 0.000 0.517 636 G N 0.601 109.448 108.800 0.078 0.000 2.148 636 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.254 636 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.254 636 G C 0.361 175.402 174.900 0.235 0.000 0.981 636 G CA 0.091 45.270 45.100 0.132 0.000 0.670 636 G HN 1.079 nan 8.290 nan 0.000 0.528 637 G N -1.146 107.744 108.800 0.149 0.000 2.613 637 G HA2 0.649 4.609 3.960 -0.000 0.000 0.303 637 G HA3 0.649 4.609 3.960 -0.000 0.000 0.303 637 G C 0.153 174.978 174.900 -0.125 0.000 1.312 637 G CA -0.937 44.198 45.100 0.057 0.000 1.036 637 G HN 0.317 nan 8.290 nan 0.000 0.513 638 R N -0.004 120.315 120.500 -0.302 0.000 2.594 638 R HA 0.145 4.485 4.340 -0.000 0.000 0.272 638 R C 0.590 176.778 176.300 -0.186 0.000 1.074 638 R CA -0.378 55.465 56.100 -0.429 0.000 1.105 638 R CB 0.711 30.844 30.300 -0.279 0.000 1.008 638 R HN 0.616 nan 8.270 nan 0.000 0.472 639 R N 1.390 121.799 120.500 -0.151 0.000 2.490 639 R HA -0.022 4.318 4.340 -0.000 0.000 0.280 639 R C -0.623 175.627 176.300 -0.083 0.000 1.077 639 R CA -0.268 55.772 56.100 -0.099 0.000 1.065 639 R CB 0.521 30.745 30.300 -0.126 0.000 1.003 639 R HN 0.436 nan 8.270 nan 0.000 0.470 640 D N 2.295 122.645 120.400 -0.084 0.000 2.316 640 D HA 0.153 4.793 4.640 -0.000 0.000 0.245 640 D C -1.132 175.109 176.300 -0.098 0.000 1.171 640 D CA 0.149 54.104 54.000 -0.075 0.000 0.856 640 D CB 0.821 41.587 40.800 -0.057 0.000 1.090 640 D HN 0.571 nan 8.370 nan 0.000 0.476 641 S N 2.499 118.129 115.700 -0.116 0.000 2.671 641 S HA 0.316 4.786 4.470 -0.000 0.000 0.277 641 S C 0.944 175.438 174.600 -0.178 0.000 1.165 641 S CA -0.797 57.324 58.200 -0.131 0.000 0.822 641 S CB 0.920 64.049 63.200 -0.118 0.000 1.150 641 S HN 0.364 nan 8.310 nan 0.000 0.479 642 N N 1.187 119.778 118.700 -0.183 0.000 2.166 642 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 642 N C 1.568 176.899 175.510 -0.298 0.000 1.019 642 N CA 1.594 54.526 53.050 -0.198 0.000 0.856 642 N CB -1.115 37.268 38.487 -0.173 0.000 0.993 642 N HN 0.642 nan 8.380 nan 0.000 0.426 643 L N -0.339 120.605 121.223 -0.465 0.000 2.017 643 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 643 L C 2.753 178.994 176.870 -1.049 0.000 1.073 643 L CA 1.506 55.836 54.840 -0.851 0.000 0.745 643 L CB -0.615 40.627 42.059 -1.361 0.000 0.894 643 L HN 0.227 nan 8.230 nan 0.000 0.432 644 Q N 0.634 119.969 119.800 -0.775 0.000 2.226 644 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 644 Q C 2.058 177.980 176.000 -0.130 0.000 0.975 644 Q CA 1.450 57.074 55.803 -0.298 0.000 0.866 644 Q CB -0.049 28.689 28.738 -0.000 0.000 0.915 644 Q HN 0.311 nan 8.270 nan 0.000 0.440 645 R N -0.535 119.866 120.500 -0.165 0.000 2.307 645 R HA 0.009 4.349 4.340 -0.000 0.000 0.199 645 R C 1.764 178.024 176.300 -0.068 0.000 1.000 645 R CA 1.189 57.237 56.100 -0.088 0.000 1.023 645 R CB -0.079 30.169 30.300 -0.086 0.000 0.908 645 R HN 0.447 nan 8.270 nan 0.000 0.473 646 T N -2.658 111.837 114.554 -0.099 0.000 3.067 646 T HA 0.190 4.540 4.350 -0.000 0.000 0.261 646 T C 0.890 175.614 174.700 0.040 0.000 1.110 646 T CA 0.478 62.557 62.100 -0.034 0.000 1.113 646 T CB 0.562 69.406 68.868 -0.040 0.000 0.917 646 T HN 0.312 nan 8.240 nan 0.000 0.499 647 G N 0.577 109.424 108.800 0.078 0.000 2.326 647 G HA2 0.029 3.989 3.960 -0.000 0.000 0.478 647 G HA3 0.029 3.989 3.960 -0.000 0.000 0.478 647 G C -0.131 174.926 174.900 0.262 0.000 1.551 647 G CA -0.311 44.869 45.100 0.133 0.000 0.946 647 G HN 0.060 nan 8.290 nan 0.000 0.671 648 N N 0.105 118.927 118.700 0.203 0.000 2.272 648 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 648 N C 1.873 177.498 175.510 0.192 0.000 1.014 648 N CA 2.040 55.217 53.050 0.212 0.000 0.870 648 N CB 0.146 38.700 38.487 0.111 0.000 0.975 648 N HN 0.646 nan 8.380 nan 0.000 0.433 649 D N -0.277 120.231 120.400 0.180 0.000 2.363 649 D HA -0.137 4.503 4.640 -0.000 0.000 0.226 649 D C 1.721 178.117 176.300 0.159 0.000 1.020 649 D CA 0.047 54.124 54.000 0.129 0.000 0.892 649 D CB -0.910 39.949 40.800 0.097 0.000 0.900 649 D HN 0.590 nan 8.370 nan 0.000 0.531 650 W N 1.564 122.917 121.300 0.089 0.000 2.342 650 W HA -0.130 4.530 4.660 -0.000 0.000 0.297 650 W C 1.503 178.106 176.519 0.140 0.000 1.213 650 W CA 0.186 57.586 57.345 0.092 0.000 1.251 650 W CB -1.001 28.506 29.460 0.077 0.000 1.136 650 W HN -0.077 nan 8.180 nan 0.000 0.526 651 I N 1.417 121.617 120.570 -0.617 0.000 2.202 651 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 651 I C 2.792 178.956 176.117 0.079 0.000 1.091 651 I CA 2.253 63.272 61.300 -0.468 0.000 1.368 651 I CB -0.761 36.994 38.000 -0.408 0.000 1.058 651 I HN 0.032 nan 8.210 nan 0.000 0.410 652 E N 1.222 121.424 120.200 0.003 0.000 2.085 652 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 652 E C 2.296 178.864 176.600 -0.053 0.000 0.994 652 E CA 1.617 57.881 56.400 -0.228 0.000 0.801 652 E CB 0.100 29.616 29.700 -0.306 0.000 0.743 652 E HN 0.252 nan 8.360 nan 0.000 0.453 653 V N 1.321 121.246 119.914 0.020 0.000 2.343 653 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 653 V C 2.509 178.640 176.094 0.061 0.000 1.051 653 V CA 1.802 64.134 62.300 0.054 0.000 1.036 653 V CB -0.808 31.078 31.823 0.104 0.000 0.654 653 V HN 0.481 nan 8.190 nan 0.000 0.451 654 A N -0.548 122.314 122.820 0.071 0.000 1.902 654 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 654 A C 2.036 179.552 177.584 -0.113 0.000 1.181 654 A CA 1.871 53.902 52.037 -0.010 0.000 0.623 654 A CB -0.686 18.293 19.000 -0.034 0.000 0.818 654 A HN 0.469 nan 8.150 nan 0.000 0.443 655 F N -0.236 119.699 119.950 -0.026 0.000 2.113 655 F HA -0.082 4.445 4.527 -0.000 0.000 0.297 655 F C 2.592 178.360 175.800 -0.053 0.000 1.103 655 F CA 1.681 59.659 58.000 -0.036 0.000 1.248 655 F CB -0.327 38.630 39.000 -0.073 0.000 0.999 655 F HN 0.084 nan 8.300 nan 0.000 0.475 656 R N -0.482 120.076 120.500 0.097 0.000 2.105 656 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 656 R C 2.066 178.379 176.300 0.020 0.000 1.135 656 R CA 1.927 58.046 56.100 0.033 0.000 0.967 656 R CB -1.017 29.280 30.300 -0.004 0.000 0.861 656 R HN 0.245 nan 8.270 nan 0.000 0.442 657 T N 0.805 115.364 114.554 0.010 0.000 2.737 657 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 657 T C 1.966 176.644 174.700 -0.037 0.000 1.038 657 T CA 1.397 63.491 62.100 -0.010 0.000 1.144 657 T CB -0.233 68.631 68.868 -0.007 0.000 0.866 657 T HN 0.378 nan 8.240 nan 0.000 0.434 658 A N 1.805 124.589 122.820 -0.060 0.000 1.933 658 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 658 A C 2.252 179.820 177.584 -0.026 0.000 1.175 658 A CA 1.954 53.935 52.037 -0.094 0.000 0.628 658 A CB -0.543 18.370 19.000 -0.145 0.000 0.814 658 A HN 0.339 nan 8.150 nan 0.000 0.444 659 R N 0.300 120.816 120.500 0.027 0.000 2.091 659 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 659 R C 2.023 178.336 176.300 0.020 0.000 1.136 659 R CA 2.034 58.161 56.100 0.046 0.000 0.959 659 R CB -0.782 29.555 30.300 0.061 0.000 0.856 659 R HN 0.381 nan 8.270 nan 0.000 0.437 660 A N -0.092 122.731 122.820 0.005 0.000 1.968 660 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 660 A C 2.310 179.884 177.584 -0.016 0.000 1.169 660 A CA 1.276 53.311 52.037 -0.003 0.000 0.638 660 A CB -0.769 18.228 19.000 -0.005 0.000 0.812 660 A HN 0.473 nan 8.150 nan 0.000 0.446 661 A N -1.118 121.681 122.820 -0.035 0.000 1.898 661 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 661 A C 0.864 178.424 177.584 -0.039 0.000 1.181 661 A CA 1.681 53.684 52.037 -0.057 0.000 0.620 661 A CB -0.043 18.894 19.000 -0.105 0.000 0.819 661 A HN 0.388 nan 8.150 nan 0.000 0.442 662 D N -2.365 118.026 120.400 -0.014 0.000 2.337 662 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 662 D C -2.469 173.862 176.300 0.052 0.000 1.331 662 D CA -1.289 52.727 54.000 0.026 0.000 0.967 662 D CB 1.312 42.150 40.800 0.063 0.000 1.382 662 D HN 0.014 nan 8.370 nan 0.000 0.549 663 P HA 0.050 nan 4.420 nan 0.000 0.237 663 P C 0.895 178.235 177.300 0.065 0.000 1.178 663 P CA 0.205 63.336 63.100 0.052 0.000 0.766 663 P CB 0.435 32.156 31.700 0.035 0.000 0.876 664 A N -0.149 122.713 122.820 0.071 0.000 2.123 664 A HA 0.386 4.706 4.320 -0.000 0.000 0.214 664 A C 1.420 179.064 177.584 0.099 0.000 1.152 664 A CA 0.369 52.451 52.037 0.074 0.000 0.728 664 A CB -0.587 18.452 19.000 0.064 0.000 0.814 664 A HN 0.288 nan 8.150 nan 0.000 0.464 665 A N 0.265 123.167 122.820 0.136 0.000 2.310 665 A HA 0.528 4.848 4.320 -0.000 0.000 0.299 665 A C 0.070 177.758 177.584 0.173 0.000 1.147 665 A CA -0.522 51.623 52.037 0.179 0.000 0.818 665 A CB 0.281 19.475 19.000 0.323 0.000 1.096 665 A HN 0.335 nan 8.150 nan 0.000 0.495 666 K N 1.499 121.995 120.400 0.159 0.000 2.322 666 K HA 0.373 4.693 4.320 -0.000 0.000 0.283 666 K C -1.039 175.694 176.600 0.222 0.000 1.042 666 K CA 0.166 56.551 56.287 0.163 0.000 0.958 666 K CB 0.539 33.120 32.500 0.136 0.000 0.984 666 K HN 0.583 nan 8.250 nan 0.000 0.473 667 L N 4.324 125.701 121.223 0.257 0.000 2.265 667 L HA 0.367 4.707 4.340 -0.000 0.000 0.289 667 L C -0.464 176.669 176.870 0.438 0.000 1.033 667 L CA -0.950 54.108 54.840 0.363 0.000 0.814 667 L CB 1.046 43.370 42.059 0.442 0.000 1.203 667 L HN 0.647 nan 8.230 nan 0.000 0.423 668 c N 1.725 120.566 118.600 0.402 0.000 2.454 668 c HA 0.485 5.055 4.570 -0.000 0.000 0.336 668 c C -0.145 174.223 174.090 0.463 0.000 1.189 668 c CA -0.967 55.575 56.329 0.355 0.000 1.877 668 c CB 1.408 44.023 42.510 0.175 0.000 2.348 668 c HN 0.622 nan 8.230 nan 0.000 0.508 669 Y N 2.322 122.804 120.300 0.305 0.000 2.323 669 Y HA 0.545 5.095 4.550 -0.000 0.000 0.331 669 Y C -0.186 175.728 175.900 0.024 0.000 1.092 669 Y CA -0.263 58.001 58.100 0.273 0.000 1.150 669 Y CB 0.638 39.199 38.460 0.168 0.000 1.200 669 Y HN 0.794 nan 8.280 nan 0.000 0.472 670 N N 4.100 122.303 118.700 -0.827 0.000 2.296 670 N HA 0.393 5.133 4.740 -0.000 0.000 0.294 670 N C -2.131 172.945 175.510 -0.723 0.000 1.033 670 N CA -0.380 52.307 53.050 -0.604 0.000 0.839 670 N CB 1.392 39.680 38.487 -0.332 0.000 1.395 670 N HN 0.759 nan 8.380 nan 0.000 0.479 671 D N 0.361 120.485 120.400 -0.460 0.000 2.639 671 D HA 0.303 4.943 4.640 -0.000 0.000 0.271 671 D C -1.416 174.832 176.300 -0.086 0.000 1.254 671 D CA -0.237 53.618 54.000 -0.241 0.000 0.810 671 D CB 1.038 41.747 40.800 -0.152 0.000 1.351 671 D HN 0.421 nan 8.370 nan 0.000 0.427 672 Y N -0.661 119.633 120.300 -0.009 0.000 2.621 672 Y HA 0.524 5.074 4.550 -0.000 0.000 0.334 672 Y C 0.576 176.535 175.900 0.098 0.000 1.074 672 Y CA -0.965 57.154 58.100 0.031 0.000 1.149 672 Y CB 0.634 39.159 38.460 0.108 0.000 1.302 672 Y HN 0.569 nan 8.280 nan 0.000 0.501 673 N N 0.612 119.485 118.700 0.288 0.000 2.747 673 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 673 N C -0.321 175.435 175.510 0.410 0.000 1.107 673 N CA 0.936 54.155 53.050 0.282 0.000 0.707 673 N CB -1.075 37.398 38.487 -0.024 0.000 1.054 673 N HN 0.785 nan 8.380 nan 0.000 0.555 674 I N -4.012 116.796 120.570 0.395 0.000 3.658 674 I HA 0.304 4.474 4.170 -0.000 0.000 0.328 674 I C 0.688 177.113 176.117 0.513 0.000 1.567 674 I CA -0.499 61.035 61.300 0.389 0.000 1.078 674 I CB 0.623 38.722 38.000 0.166 0.000 1.267 674 I HN -0.153 nan 8.210 nan 0.000 0.495 675 E N 1.045 121.506 120.200 0.434 0.000 2.166 675 E HA 0.088 4.438 4.350 -0.000 0.000 0.192 675 E C 0.741 177.389 176.600 0.079 0.000 0.967 675 E CA 0.346 56.901 56.400 0.257 0.000 0.840 675 E CB 0.062 29.696 29.700 -0.109 0.000 0.795 675 E HN 0.378 nan 8.360 nan 0.000 0.470 676 N N 0.752 119.196 118.700 -0.428 0.000 2.430 676 N HA -0.078 4.662 4.740 -0.000 0.000 0.265 676 N C 0.181 175.462 175.510 -0.383 0.000 1.100 676 N CA -0.062 52.536 53.050 -0.752 0.000 0.961 676 N CB 0.389 37.662 38.487 -2.024 0.000 1.075 676 N HN 0.261 nan 8.380 nan 0.000 0.478 677 W N 3.767 124.924 121.300 -0.239 0.000 2.342 677 W HA -0.211 4.449 4.660 -0.000 0.000 0.297 677 W C 1.331 177.791 176.519 -0.098 0.000 1.213 677 W CA 2.117 59.401 57.345 -0.101 0.000 1.251 677 W CB -0.162 29.237 29.460 -0.102 0.000 1.136 677 W HN 0.652 nan 8.180 nan 0.000 0.526 678 T N -2.136 112.213 114.554 -0.342 0.000 3.007 678 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 678 T C 0.636 175.252 174.700 -0.140 0.000 1.107 678 T CA 0.324 62.263 62.100 -0.268 0.000 1.118 678 T CB -0.729 68.066 68.868 -0.123 0.000 0.889 678 T HN -0.057 nan 8.240 nan 0.000 0.506 679 W N 1.299 122.492 121.300 -0.179 0.000 2.158 679 W HA 0.652 5.312 4.660 -0.000 0.000 0.339 679 W C 1.640 178.051 176.519 -0.180 0.000 1.294 679 W CA -1.398 55.871 57.345 -0.127 0.000 1.231 679 W CB 0.109 29.533 29.460 -0.060 0.000 1.143 679 W HN 0.237 nan 8.180 nan 0.000 0.571 680 A N 2.679 125.570 122.820 0.117 0.000 1.933 680 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 680 A C 2.087 179.682 177.584 0.018 0.000 1.175 680 A CA 1.761 53.811 52.037 0.021 0.000 0.628 680 A CB -0.475 18.542 19.000 0.028 0.000 0.814 680 A HN 0.699 nan 8.150 nan 0.000 0.444 681 K N -0.732 119.704 120.400 0.059 0.000 2.032 681 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 681 K C 2.065 178.647 176.600 -0.028 0.000 1.048 681 K CA 1.955 58.264 56.287 0.037 0.000 0.927 681 K CB -0.373 32.147 32.500 0.033 0.000 0.712 681 K HN 0.470 nan 8.250 nan 0.000 0.441 682 T N 1.334 115.924 114.554 0.061 0.000 2.665 682 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 682 T C 1.810 176.486 174.700 -0.040 0.000 1.035 682 T CA 1.677 63.823 62.100 0.076 0.000 1.151 682 T CB -0.224 68.669 68.868 0.042 0.000 0.862 682 T HN 0.404 nan 8.240 nan 0.000 0.438 683 Q N 0.182 119.828 119.800 -0.256 0.000 2.230 683 Q HA 0.050 4.390 4.340 -0.000 0.000 0.202 683 Q C 2.753 178.701 176.000 -0.088 0.000 0.963 683 Q CA 1.003 56.641 55.803 -0.275 0.000 0.866 683 Q CB -0.322 28.183 28.738 -0.387 0.000 0.931 683 Q HN 0.612 nan 8.270 nan 0.000 0.452 684 G N 0.362 109.096 108.800 -0.111 0.000 2.402 684 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 684 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 684 G C 1.490 176.161 174.900 -0.382 0.000 1.162 684 G CA 0.635 45.679 45.100 -0.094 0.000 0.777 684 G HN 0.193 nan 8.290 nan 0.000 0.539 685 V N -0.147 119.395 119.914 -0.619 0.000 2.427 685 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 685 V C 2.252 178.248 176.094 -0.164 0.000 1.051 685 V CA 1.590 63.492 62.300 -0.662 0.000 1.048 685 V CB -0.668 30.900 31.823 -0.426 0.000 0.666 685 V HN 0.483 nan 8.190 nan 0.000 0.456 686 Y N 1.973 122.207 120.300 -0.109 0.000 2.128 686 Y HA -0.253 4.296 4.550 -0.000 0.000 0.284 686 Y C 2.510 178.247 175.900 -0.272 0.000 1.154 686 Y CA 2.080 59.960 58.100 -0.367 0.000 1.149 686 Y CB -0.309 37.937 38.460 -0.356 0.000 0.976 686 Y HN 0.281 nan 8.280 nan 0.000 0.505 687 N N 0.131 118.757 118.700 -0.124 0.000 2.166 687 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 687 N C 2.011 177.359 175.510 -0.270 0.000 1.019 687 N CA 1.695 54.653 53.050 -0.154 0.000 0.856 687 N CB -0.511 37.964 38.487 -0.020 0.000 0.993 687 N HN 0.541 nan 8.380 nan 0.000 0.426 688 M N 0.448 119.849 119.600 -0.332 0.000 2.099 688 M HA -0.108 4.372 4.480 -0.000 0.000 0.262 688 M C 1.598 177.436 176.300 -0.769 0.000 1.067 688 M CA 1.256 56.237 55.300 -0.531 0.000 1.124 688 M CB 0.077 32.349 32.600 -0.548 0.000 1.353 688 M HN -0.127 nan 8.290 nan 0.000 0.410 689 V N 0.579 120.134 119.914 -0.597 0.000 2.343 689 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 689 V C 2.490 178.379 176.094 -0.341 0.000 1.051 689 V CA 2.237 64.269 62.300 -0.446 0.000 1.036 689 V CB -1.075 30.615 31.823 -0.221 0.000 0.654 689 V HN 0.555 nan 8.190 nan 0.000 0.451 690 R N 0.380 120.606 120.500 -0.458 0.000 2.083 690 R HA -0.263 4.077 4.340 -0.000 0.000 0.237 690 R C 2.169 178.366 176.300 -0.173 0.000 1.137 690 R CA 2.481 58.365 56.100 -0.361 0.000 0.951 690 R CB -0.557 29.470 30.300 -0.455 0.000 0.851 690 R HN 0.631 nan 8.270 nan 0.000 0.434 691 D N -0.432 119.873 120.400 -0.157 0.000 2.092 691 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 691 D C 1.737 178.110 176.300 0.123 0.000 0.994 691 D CA 1.519 55.505 54.000 -0.023 0.000 0.828 691 D CB -0.153 40.634 40.800 -0.023 0.000 0.963 691 D HN 0.178 nan 8.370 nan 0.000 0.450 692 F N 0.953 120.820 119.950 -0.138 0.000 2.095 692 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 692 F C 2.354 178.082 175.800 -0.121 0.000 1.104 692 F CA 0.985 58.900 58.000 -0.143 0.000 1.232 692 F CB -0.831 38.040 39.000 -0.216 0.000 0.987 692 F HN 0.016 nan 8.300 nan 0.000 0.475 693 K N 0.595 121.044 120.400 0.081 0.000 2.147 693 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 693 K C 1.876 178.477 176.600 0.001 0.000 1.049 693 K CA 1.395 57.690 56.287 0.013 0.000 0.936 693 K CB -0.869 31.616 32.500 -0.025 0.000 0.722 693 K HN 0.576 nan 8.250 nan 0.000 0.446 694 Q N -0.123 119.678 119.800 0.001 0.000 2.389 694 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 694 Q C 1.344 177.346 176.000 0.004 0.000 0.944 694 Q CA 0.786 56.588 55.803 -0.003 0.000 0.908 694 Q CB 0.079 28.811 28.738 -0.010 0.000 1.002 694 Q HN 0.103 nan 8.270 nan 0.000 0.493 695 R N -0.018 120.489 120.500 0.012 0.000 2.362 695 R HA 0.197 4.537 4.340 -0.000 0.000 0.227 695 R C 0.440 176.725 176.300 -0.025 0.000 0.905 695 R CA 0.416 56.515 56.100 -0.002 0.000 1.067 695 R CB 0.829 31.133 30.300 0.007 0.000 1.078 695 R HN 0.479 nan 8.270 nan 0.000 0.516 696 G N 1.343 110.129 108.800 -0.024 0.000 2.143 696 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 696 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 696 G C 0.180 175.035 174.900 -0.075 0.000 0.991 696 G CA 0.064 45.142 45.100 -0.037 0.000 0.689 696 G HN 0.143 nan 8.290 nan 0.000 0.522 697 V N 2.633 122.465 119.914 -0.136 0.000 2.521 697 V HA 0.310 4.430 4.120 -0.000 0.000 0.286 697 V C -0.933 175.047 176.094 -0.190 0.000 1.034 697 V CA -0.790 61.345 62.300 -0.275 0.000 1.045 697 V CB 1.133 32.532 31.823 -0.706 0.000 0.974 697 V HN 0.303 nan 8.190 nan 0.000 0.480 698 P HA 0.225 nan 4.420 nan 0.000 0.267 698 P C -0.627 176.658 177.300 -0.026 0.000 1.328 698 P CA 0.410 63.496 63.100 -0.023 0.000 0.990 698 P CB 0.542 32.267 31.700 0.042 0.000 1.168 699 I N 2.750 123.274 120.570 -0.076 0.000 2.534 699 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 699 I C -0.003 176.127 176.117 0.022 0.000 1.077 699 I CA -0.652 60.569 61.300 -0.131 0.000 1.051 699 I CB 2.365 40.143 38.000 -0.369 0.000 1.234 699 I HN -0.010 nan 8.210 nan 0.000 0.425 700 D N 5.851 126.314 120.400 0.105 0.000 2.423 700 D HA 0.186 4.826 4.640 -0.000 0.000 0.212 700 D C -0.135 176.237 176.300 0.121 0.000 1.060 700 D CA 0.513 54.579 54.000 0.111 0.000 0.872 700 D CB 0.588 41.467 40.800 0.131 0.000 1.012 700 D HN 0.591 nan 8.370 nan 0.000 0.503 701 c N -0.919 117.766 118.600 0.142 0.000 3.311 701 c HA 0.772 5.342 4.570 -0.000 0.000 0.325 701 c C -0.638 173.526 174.090 0.123 0.000 1.352 701 c CA -1.034 55.378 56.329 0.139 0.000 1.308 701 c CB 1.597 44.192 42.510 0.142 0.000 1.619 701 c HN -0.110 nan 8.230 nan 0.000 0.469 702 V N 1.256 121.210 119.914 0.067 0.000 2.531 702 V HA 0.783 4.903 4.120 -0.000 0.000 0.301 702 V C 0.597 176.543 176.094 -0.246 0.000 1.034 702 V CA 0.175 62.400 62.300 -0.126 0.000 0.865 702 V CB 1.755 33.383 31.823 -0.326 0.000 0.995 702 V HN 1.349 nan 8.190 nan 0.000 0.424 703 G N 3.447 112.057 108.800 -0.318 0.000 2.335 703 G HA2 0.625 4.585 3.960 -0.000 0.000 0.316 703 G HA3 0.625 4.585 3.960 -0.000 0.000 0.316 703 G C -1.057 173.559 174.900 -0.474 0.000 1.129 703 G CA -0.263 44.692 45.100 -0.241 0.000 0.899 703 G HN 0.431 nan 8.290 nan 0.000 0.448 704 F N 1.387 121.297 119.950 -0.067 0.000 2.361 704 F HA 0.278 4.804 4.527 -0.000 0.000 0.364 704 F C 1.709 177.418 175.800 -0.151 0.000 1.120 704 F CA -0.584 57.387 58.000 -0.048 0.000 1.102 704 F CB 1.925 41.012 39.000 0.146 0.000 1.183 704 F HN 0.532 nan 8.300 nan 0.000 0.476 705 Q N 1.232 120.940 119.800 -0.152 0.000 2.135 705 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 705 Q C 0.620 176.281 176.000 -0.564 0.000 0.981 705 Q CA 1.409 56.972 55.803 -0.399 0.000 0.856 705 Q CB -0.138 28.374 28.738 -0.378 0.000 0.902 705 Q HN 0.775 nan 8.270 nan 0.000 0.425 706 S N 0.603 116.008 115.700 -0.491 0.000 3.697 706 S HA -0.117 4.353 4.470 -0.000 0.000 0.388 706 S C -0.840 173.157 174.600 -1.005 0.000 0.941 706 S CA 0.091 57.733 58.200 -0.930 0.000 1.247 706 S CB -1.430 61.436 63.200 -0.555 0.000 0.904 706 S HN 0.399 nan 8.310 nan 0.000 0.518 707 H N 0.684 119.443 119.070 -0.519 0.000 2.787 707 H HA 0.379 4.935 4.556 -0.000 0.000 0.275 707 H C -0.026 175.174 175.328 -0.213 0.000 1.183 707 H CA -0.180 55.745 56.048 -0.206 0.000 1.290 707 H CB -0.036 29.748 29.762 0.037 0.000 1.438 707 H HN 0.286 nan 8.280 nan 0.000 0.487 708 F N 3.104 123.146 119.950 0.154 0.000 2.404 708 F HA 0.213 4.740 4.527 -0.000 0.000 0.339 708 F C 0.765 176.620 175.800 0.093 0.000 1.105 708 F CA -0.712 57.356 58.000 0.112 0.000 1.087 708 F CB 1.128 40.160 39.000 0.053 0.000 1.143 708 F HN 0.550 nan 8.300 nan 0.000 0.491 709 N N -1.879 116.995 118.700 0.290 0.000 3.243 709 N HA 0.234 4.974 4.740 -0.000 0.000 0.280 709 N C 0.043 175.643 175.510 0.150 0.000 1.545 709 N CA -0.354 52.794 53.050 0.164 0.000 0.854 709 N CB 0.456 38.998 38.487 0.092 0.000 1.612 709 N HN 0.231 nan 8.380 nan 0.000 0.577 710 S N -2.412 113.347 115.700 0.098 0.000 2.481 710 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 710 S C 1.559 176.216 174.600 0.094 0.000 0.996 710 S CA 0.885 59.138 58.200 0.089 0.000 0.942 710 S CB -1.063 62.173 63.200 0.061 0.000 0.768 710 S HN 0.778 nan 8.310 nan 0.000 0.520 711 G N 0.281 109.134 108.800 0.088 0.000 2.494 711 G HA2 0.169 4.129 3.960 -0.000 0.000 0.216 711 G HA3 0.169 4.129 3.960 -0.000 0.000 0.216 711 G C 0.581 175.552 174.900 0.118 0.000 1.140 711 G CA 0.493 45.638 45.100 0.076 0.000 0.801 711 G HN 0.617 nan 8.290 nan 0.000 0.536 712 S N 1.476 117.288 115.700 0.186 0.000 2.293 712 S HA 0.470 4.940 4.470 -0.000 0.000 0.154 712 S C -2.871 171.984 174.600 0.426 0.000 1.602 712 S CA -1.178 57.214 58.200 0.321 0.000 1.260 712 S CB 1.392 64.739 63.200 0.245 0.000 1.270 712 S HN 0.054 nan 8.310 nan 0.000 0.416 713 P HA 0.163 nan 4.420 nan 0.000 0.277 713 P C -0.499 176.861 177.300 0.100 0.000 1.240 713 P CA -0.429 62.802 63.100 0.218 0.000 0.798 713 P CB 0.423 32.196 31.700 0.121 0.000 0.979 714 Y N 2.618 122.693 120.300 -0.375 0.000 2.578 714 Y HA 0.154 4.704 4.550 -0.000 0.000 0.339 714 Y C 0.041 175.705 175.900 -0.394 0.000 1.231 714 Y CA 0.407 57.965 58.100 -0.904 0.000 1.461 714 Y CB 0.278 37.969 38.460 -1.282 0.000 1.323 714 Y HN 0.348 nan 8.280 nan 0.000 0.590 715 N N 2.325 120.275 118.700 -1.251 0.000 2.249 715 N HA 0.088 4.828 4.740 -0.000 0.000 0.296 715 N C 0.214 175.063 175.510 -1.101 0.000 1.051 715 N CA 0.178 52.701 53.050 -0.878 0.000 0.815 715 N CB 2.082 40.270 38.487 -0.499 0.000 1.487 715 N HN 0.822 nan 8.380 nan 0.000 0.475 716 S N 2.295 117.627 115.700 -0.613 0.000 2.440 716 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 716 S C 1.219 175.718 174.600 -0.170 0.000 1.010 716 S CA 1.310 59.339 58.200 -0.286 0.000 0.972 716 S CB -0.515 62.646 63.200 -0.064 0.000 0.774 716 S HN 0.775 nan 8.310 nan 0.000 0.501 717 N N 1.072 119.662 118.700 -0.184 0.000 2.609 717 N HA -0.069 4.671 4.740 -0.000 0.000 0.190 717 N C 0.963 176.468 175.510 -0.009 0.000 1.157 717 N CA 0.329 53.326 53.050 -0.088 0.000 0.918 717 N CB -1.009 37.443 38.487 -0.058 0.000 0.978 717 N HN 0.434 nan 8.380 nan 0.000 0.448 718 F N 1.656 121.462 119.950 -0.240 0.000 2.216 718 F HA 0.063 4.590 4.527 -0.000 0.000 0.300 718 F C 2.266 178.001 175.800 -0.108 0.000 1.085 718 F CA 0.784 58.689 58.000 -0.158 0.000 1.326 718 F CB -0.297 38.630 39.000 -0.122 0.000 1.027 718 F HN 0.114 nan 8.300 nan 0.000 0.497 719 R N -0.191 120.239 120.500 -0.116 0.000 2.115 719 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 719 R C 2.235 178.406 176.300 -0.216 0.000 1.111 719 R CA 1.849 57.811 56.100 -0.229 0.000 0.976 719 R CB -0.491 29.743 30.300 -0.110 0.000 0.870 719 R HN 0.469 nan 8.270 nan 0.000 0.445 720 T N -2.754 111.699 114.554 -0.167 0.000 2.942 720 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 720 T C 1.763 176.322 174.700 -0.234 0.000 1.062 720 T CA 1.518 63.483 62.100 -0.225 0.000 1.139 720 T CB -0.225 68.477 68.868 -0.277 0.000 0.883 720 T HN 0.118 nan 8.240 nan 0.000 0.468 721 T N 2.574 117.090 114.554 -0.063 0.000 2.708 721 T HA 0.094 4.444 4.350 -0.000 0.000 0.266 721 T C 1.884 176.657 174.700 0.122 0.000 1.037 721 T CA 1.404 63.638 62.100 0.222 0.000 1.146 721 T CB -0.534 68.556 68.868 0.369 0.000 0.865 721 T HN 0.295 nan 8.240 nan 0.000 0.435 722 L N 0.700 121.760 121.223 -0.271 0.000 2.042 722 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 722 L C 2.914 179.743 176.870 -0.068 0.000 1.076 722 L CA 1.518 56.159 54.840 -0.331 0.000 0.749 722 L CB -0.612 41.093 42.059 -0.590 0.000 0.893 722 L HN 0.337 nan 8.230 nan 0.000 0.432 723 Q N -0.425 119.307 119.800 -0.114 0.000 2.119 723 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 723 Q C 2.048 178.025 176.000 -0.039 0.000 0.972 723 Q CA 1.317 57.071 55.803 -0.081 0.000 0.847 723 Q CB -0.121 28.538 28.738 -0.133 0.000 0.903 723 Q HN 0.481 nan 8.270 nan 0.000 0.433 724 N N 0.228 118.876 118.700 -0.086 0.000 2.069 724 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 724 N C 1.451 177.058 175.510 0.162 0.000 1.031 724 N CA 1.247 54.221 53.050 -0.126 0.000 0.852 724 N CB -0.343 37.812 38.487 -0.554 0.000 1.018 724 N HN 0.173 nan 8.380 nan 0.000 0.423 725 F N 1.169 121.257 119.950 0.231 0.000 2.146 725 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 725 F C 2.387 178.271 175.800 0.140 0.000 1.096 725 F CA 0.985 59.151 58.000 0.276 0.000 1.275 725 F CB -0.619 38.606 39.000 0.375 0.000 1.008 725 F HN 0.007 nan 8.300 nan 0.000 0.480 726 A N 0.040 123.018 122.820 0.263 0.000 1.933 726 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 726 A C 2.335 179.973 177.584 0.090 0.000 1.175 726 A CA 1.601 53.724 52.037 0.143 0.000 0.628 726 A CB -1.291 17.754 19.000 0.076 0.000 0.814 726 A HN 0.302 nan 8.150 nan 0.000 0.444 727 A N -0.566 122.297 122.820 0.071 0.000 2.125 727 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 727 A C 1.884 179.488 177.584 0.033 0.000 1.156 727 A CA 1.190 53.248 52.037 0.035 0.000 0.671 727 A CB -0.505 18.501 19.000 0.011 0.000 0.794 727 A HN 0.490 nan 8.150 nan 0.000 0.459 728 L N -1.428 119.819 121.223 0.041 0.000 2.599 728 L HA 0.158 4.498 4.340 -0.000 0.000 0.230 728 L C 1.555 178.429 176.870 0.006 0.000 1.141 728 L CA 0.561 55.391 54.840 -0.016 0.000 0.877 728 L CB -0.188 41.811 42.059 -0.101 0.000 1.009 728 L HN 0.578 nan 8.230 nan 0.000 0.447 729 G N 0.875 109.697 108.800 0.037 0.000 2.142 729 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 729 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 729 G C 0.021 174.955 174.900 0.057 0.000 1.015 729 G CA 0.103 45.226 45.100 0.038 0.000 0.716 729 G HN 0.227 nan 8.290 nan 0.000 0.508 730 V N -3.098 116.870 119.914 0.089 0.000 2.864 730 V HA 0.857 4.977 4.120 -0.000 0.000 0.314 730 V C -0.176 175.995 176.094 0.128 0.000 1.073 730 V CA -1.598 60.768 62.300 0.111 0.000 0.956 730 V CB 2.145 34.054 31.823 0.144 0.000 1.023 730 V HN 0.042 nan 8.190 nan 0.000 0.435 731 D N 1.801 122.273 120.400 0.120 0.000 2.313 731 D HA 0.563 5.203 4.640 -0.000 0.000 0.247 731 D C 0.006 176.394 176.300 0.148 0.000 1.094 731 D CA 0.114 54.184 54.000 0.116 0.000 0.925 731 D CB 2.050 42.914 40.800 0.107 0.000 1.188 731 D HN 0.906 nan 8.370 nan 0.000 0.430 732 V N -2.199 117.800 119.914 0.141 0.000 2.864 732 V HA 0.955 5.075 4.120 -0.000 0.000 0.314 732 V C -0.672 175.515 176.094 0.156 0.000 1.073 732 V CA -0.910 61.512 62.300 0.203 0.000 0.956 732 V CB 1.520 33.476 31.823 0.222 0.000 1.023 732 V HN 0.659 nan 8.190 nan 0.000 0.435 733 A N 3.791 126.742 122.820 0.218 0.000 2.549 733 A HA 0.852 5.172 4.320 -0.000 0.000 0.297 733 A C -0.981 176.729 177.584 0.209 0.000 1.061 733 A CA -0.702 51.428 52.037 0.156 0.000 0.690 733 A CB 1.568 20.667 19.000 0.165 0.000 1.287 733 A HN 0.939 nan 8.150 nan 0.000 0.402 734 I N 2.566 123.215 120.570 0.132 0.000 2.297 734 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 734 I C 1.460 177.601 176.117 0.040 0.000 1.033 734 I CA -0.006 61.377 61.300 0.138 0.000 1.253 734 I CB 1.719 39.803 38.000 0.140 0.000 1.396 734 I HN 0.914 nan 8.210 nan 0.000 0.476 735 T N 0.896 115.430 114.554 -0.034 0.000 3.040 735 T HA 0.174 4.524 4.350 -0.000 0.000 0.252 735 T C 0.746 175.319 174.700 -0.212 0.000 1.064 735 T CA 0.257 62.292 62.100 -0.108 0.000 1.110 735 T CB 0.113 68.879 68.868 -0.171 0.000 0.921 735 T HN 0.587 nan 8.240 nan 0.000 0.480 736 E N 1.082 121.059 120.200 -0.372 0.000 4.230 736 E HA 0.324 4.674 4.350 -0.000 0.000 0.216 736 E C -1.217 175.171 176.600 -0.354 0.000 1.132 736 E CA -0.515 55.580 56.400 -0.509 0.000 1.404 736 E CB 0.749 29.673 29.700 -1.294 0.000 1.183 736 E HN 0.201 nan 8.360 nan 0.000 0.431 737 L N 3.001 124.177 121.223 -0.080 0.000 2.499 737 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 737 L C -0.634 176.374 176.870 0.229 0.000 1.195 737 L CA 0.670 55.518 54.840 0.012 0.000 0.882 737 L CB 0.107 42.237 42.059 0.119 0.000 1.133 737 L HN 0.218 nan 8.230 nan 0.000 0.483 738 D N 4.143 124.669 120.400 0.210 0.000 2.769 738 D HA 0.421 5.061 4.640 -0.000 0.000 0.219 738 D C -1.047 175.386 176.300 0.222 0.000 1.245 738 D CA -0.336 53.873 54.000 0.347 0.000 0.801 738 D CB 0.409 41.519 40.800 0.517 0.000 1.598 738 D HN 0.391 nan 8.370 nan 0.000 0.485 739 I N 0.919 121.592 120.570 0.172 0.000 2.447 739 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 739 I C -0.020 176.191 176.117 0.156 0.000 1.023 739 I CA -0.967 60.398 61.300 0.108 0.000 1.083 739 I CB 2.089 39.979 38.000 -0.183 0.000 1.245 739 I HN 0.407 nan 8.210 nan 0.000 0.434 740 Q N 5.309 125.193 119.800 0.140 0.000 2.239 740 Q HA 0.146 4.485 4.340 -0.000 0.000 0.286 740 Q C 1.094 177.151 176.000 0.094 0.000 1.102 740 Q CA 1.386 57.250 55.803 0.102 0.000 0.936 740 Q CB 0.358 29.142 28.738 0.076 0.000 1.127 740 Q HN 1.023 nan 8.270 nan 0.000 0.380 741 G N 3.120 111.977 108.800 0.095 0.000 2.195 741 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.246 741 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.246 741 G C 0.489 175.455 174.900 0.110 0.000 0.984 741 G CA 0.072 45.220 45.100 0.080 0.000 0.633 741 G HN 1.847 nan 8.290 nan 0.000 0.525 742 A N -0.826 122.108 122.820 0.189 0.000 2.511 742 A HA 0.084 4.404 4.320 -0.000 0.000 0.297 742 A C 1.285 179.019 177.584 0.250 0.000 1.476 742 A CA 1.930 54.163 52.037 0.327 0.000 0.757 742 A CB -1.853 17.310 19.000 0.272 0.000 1.072 742 A HN 2.453 nan 8.150 nan 0.000 0.413 743 S N 0.142 115.942 115.700 0.166 0.000 2.544 743 S HA 0.332 4.802 4.470 -0.000 0.000 0.290 743 S C 1.555 176.236 174.600 0.135 0.000 1.276 743 S CA 0.357 58.610 58.200 0.088 0.000 1.075 743 S CB 0.520 63.736 63.200 0.027 0.000 0.849 743 S HN 1.040 nan 8.310 nan 0.000 0.494 744 S N 4.447 120.186 115.700 0.064 0.000 2.370 744 S HA -0.110 4.360 4.470 -0.000 0.000 0.226 744 S C 2.193 176.830 174.600 0.061 0.000 1.033 744 S CA 1.694 59.933 58.200 0.064 0.000 1.011 744 S CB -0.541 62.660 63.200 0.002 0.000 0.852 744 S HN 0.802 nan 8.310 nan 0.000 0.457 745 S N 1.243 116.952 115.700 0.015 0.000 2.356 745 S HA -0.102 4.368 4.470 -0.000 0.000 0.223 745 S C 2.181 176.739 174.600 -0.069 0.000 1.032 745 S CA 1.625 59.818 58.200 -0.011 0.000 1.005 745 S CB -0.695 62.496 63.200 -0.015 0.000 0.867 745 S HN 0.619 nan 8.310 nan 0.000 0.449 746 T N 0.723 115.212 114.554 -0.108 0.000 2.777 746 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 746 T C 1.535 176.042 174.700 -0.322 0.000 1.040 746 T CA 1.171 63.086 62.100 -0.309 0.000 1.141 746 T CB -0.454 68.241 68.868 -0.288 0.000 0.868 746 T HN 0.340 nan 8.240 nan 0.000 0.444 747 Y N 1.543 121.766 120.300 -0.128 0.000 2.224 747 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 747 Y C 2.679 178.547 175.900 -0.053 0.000 1.146 747 Y CA 0.710 58.781 58.100 -0.049 0.000 1.182 747 Y CB -0.672 37.795 38.460 0.011 0.000 0.983 747 Y HN 0.210 nan 8.280 nan 0.000 0.524 748 A N -0.518 122.358 122.820 0.094 0.000 1.929 748 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 748 A C 2.417 179.994 177.584 -0.012 0.000 1.176 748 A CA 1.508 53.570 52.037 0.042 0.000 0.628 748 A CB -1.175 17.840 19.000 0.025 0.000 0.816 748 A HN 0.396 nan 8.150 nan 0.000 0.444 749 A N -0.339 122.416 122.820 -0.108 0.000 1.877 749 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 749 A C 2.212 179.713 177.584 -0.139 0.000 1.186 749 A CA 1.847 53.791 52.037 -0.155 0.000 0.620 749 A CB -1.053 17.761 19.000 -0.310 0.000 0.822 749 A HN 0.409 nan 8.150 nan 0.000 0.443 750 V N -0.100 119.649 119.914 -0.274 0.000 2.332 750 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 750 V C 2.730 178.896 176.094 0.120 0.000 1.055 750 V CA 2.512 64.807 62.300 -0.008 0.000 1.038 750 V CB -1.414 30.402 31.823 -0.011 0.000 0.651 750 V HN 0.614 nan 8.190 nan 0.000 0.450 751 T N 0.273 114.890 114.554 0.105 0.000 2.708 751 T HA -0.172 4.177 4.350 -0.000 0.000 0.266 751 T C 1.831 176.576 174.700 0.075 0.000 1.037 751 T CA 1.654 63.835 62.100 0.134 0.000 1.146 751 T CB -0.393 68.570 68.868 0.158 0.000 0.865 751 T HN 0.419 nan 8.240 nan 0.000 0.435 752 N N 1.198 119.927 118.700 0.047 0.000 2.309 752 N HA -0.072 4.668 4.740 -0.000 0.000 0.182 752 N C 1.447 176.966 175.510 0.016 0.000 1.018 752 N CA 0.784 53.850 53.050 0.027 0.000 0.876 752 N CB -0.306 38.194 38.487 0.021 0.000 0.972 752 N HN 0.382 nan 8.380 nan 0.000 0.434 753 D N 0.078 120.498 120.400 0.033 0.000 2.117 753 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 753 D C 2.006 178.258 176.300 -0.081 0.000 0.982 753 D CA 0.507 54.498 54.000 -0.015 0.000 0.828 753 D CB -0.495 40.325 40.800 0.033 0.000 0.967 753 D HN 0.187 nan 8.370 nan 0.000 0.464 754 c N 0.560 119.133 118.600 -0.045 0.000 2.446 754 c HA -0.026 4.544 4.570 -0.000 0.000 0.277 754 c C 2.734 176.793 174.090 -0.051 0.000 1.275 754 c CA 0.292 56.581 56.329 -0.067 0.000 1.727 754 c CB -1.225 41.266 42.510 -0.031 0.000 2.010 754 c HN 0.282 nan 8.230 nan 0.000 0.486 755 L N 0.975 122.185 121.223 -0.021 0.000 2.265 755 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 755 L C 2.765 179.619 176.870 -0.026 0.000 1.117 755 L CA 1.310 56.140 54.840 -0.017 0.000 0.782 755 L CB -0.567 41.493 42.059 0.001 0.000 0.914 755 L HN 0.470 nan 8.230 nan 0.000 0.441 756 A N -0.793 122.004 122.820 -0.038 0.000 2.132 756 A HA 0.139 4.459 4.320 -0.000 0.000 0.213 756 A C 0.925 178.476 177.584 -0.054 0.000 1.154 756 A CA 0.220 52.231 52.037 -0.043 0.000 0.753 756 A CB 0.088 19.061 19.000 -0.046 0.000 0.826 756 A HN 0.123 nan 8.150 nan 0.000 0.469 757 V N 1.639 121.513 119.914 -0.068 0.000 2.328 757 V HA 0.153 4.273 4.120 -0.000 0.000 0.278 757 V C 1.390 177.458 176.094 -0.045 0.000 1.021 757 V CA 0.264 62.523 62.300 -0.068 0.000 0.838 757 V CB 0.946 32.706 31.823 -0.106 0.000 0.999 757 V HN 0.571 nan 8.190 nan 0.000 0.447 758 S N 4.322 120.005 115.700 -0.029 0.000 2.419 758 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 758 S C 1.526 176.122 174.600 -0.006 0.000 1.019 758 S CA 0.913 59.104 58.200 -0.015 0.000 0.982 758 S CB -0.261 62.934 63.200 -0.009 0.000 0.789 758 S HN 0.718 nan 8.310 nan 0.000 0.490 759 R N -0.132 120.367 120.500 -0.002 0.000 2.320 759 R HA 0.236 4.576 4.340 -0.000 0.000 0.211 759 R C 0.045 176.353 176.300 0.014 0.000 0.931 759 R CA -0.109 56.002 56.100 0.018 0.000 1.071 759 R CB -0.333 29.990 30.300 0.038 0.000 1.025 759 R HN 0.415 nan 8.270 nan 0.000 0.495 760 c N 1.504 120.092 118.600 -0.020 0.000 2.442 760 c HA 0.200 4.770 4.570 -0.000 0.000 0.362 760 c C 1.883 175.934 174.090 -0.064 0.000 1.242 760 c CA -0.644 55.660 56.329 -0.042 0.000 1.741 760 c CB -0.925 41.537 42.510 -0.079 0.000 2.378 760 c HN 0.518 nan 8.230 nan 0.000 0.549 761 L N 5.320 126.510 121.223 -0.054 0.000 2.141 761 L HA 0.235 4.575 4.340 -0.000 0.000 0.209 761 L C 1.554 178.139 176.870 -0.475 0.000 1.094 761 L CA 1.230 56.013 54.840 -0.095 0.000 0.763 761 L CB -0.673 41.444 42.059 0.097 0.000 0.908 761 L HN 0.940 nan 8.230 nan 0.000 0.437 762 G N -0.764 107.665 108.800 -0.619 0.000 2.327 762 G HA2 0.372 4.331 3.960 -0.000 0.000 0.291 762 G HA3 0.372 4.331 3.960 -0.000 0.000 0.291 762 G C -1.798 172.752 174.900 -0.584 0.000 1.290 762 G CA -0.781 43.710 45.100 -1.016 0.000 0.857 762 G HN -0.097 nan 8.290 nan 0.000 0.520 763 I N 0.193 120.446 120.570 -0.528 0.000 2.582 763 I HA 0.554 4.724 4.170 -0.000 0.000 0.292 763 I C -0.550 175.334 176.117 -0.388 0.000 1.066 763 I CA -0.712 60.357 61.300 -0.386 0.000 1.053 763 I CB 2.749 40.438 38.000 -0.518 0.000 1.241 763 I HN 0.382 nan 8.210 nan 0.000 0.421 764 T N 5.027 119.494 114.554 -0.145 0.000 2.809 764 T HA 0.439 4.789 4.350 -0.000 0.000 0.284 764 T C -0.331 174.377 174.700 0.013 0.000 0.992 764 T CA -0.520 61.551 62.100 -0.047 0.000 0.957 764 T CB 1.579 70.498 68.868 0.085 0.000 0.942 764 T HN 0.383 nan 8.240 nan 0.000 0.439 765 V N 1.348 121.306 119.914 0.073 0.000 2.567 765 V HA 0.478 4.598 4.120 -0.000 0.000 0.289 765 V C 0.224 176.484 176.094 0.277 0.000 1.049 765 V CA -1.116 61.339 62.300 0.259 0.000 0.969 765 V CB 1.222 33.309 31.823 0.441 0.000 0.995 765 V HN 0.996 nan 8.190 nan 0.000 0.471 766 W N 5.184 126.529 121.300 0.074 0.000 1.606 766 W HA 0.546 5.206 4.660 -0.000 0.000 0.455 766 W C 0.582 177.155 176.519 0.089 0.000 0.711 766 W CA 0.597 57.964 57.345 0.036 0.000 1.876 766 W CB 0.048 29.556 29.460 0.081 0.000 1.776 766 W HN 1.254 nan 8.180 nan 0.000 0.229 767 G N 0.308 109.039 108.800 -0.115 0.000 2.362 767 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.656 767 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.656 767 G C -0.536 174.359 174.900 -0.009 0.000 1.376 767 G CA -0.662 44.376 45.100 -0.102 0.000 0.971 767 G HN 0.077 nan 8.290 nan 0.000 0.636 768 V N 0.460 120.383 119.914 0.015 0.000 2.398 768 V HA 0.287 4.407 4.120 -0.000 0.000 0.236 768 V C 1.581 177.809 176.094 0.222 0.000 1.054 768 V CA 1.638 63.971 62.300 0.055 0.000 1.060 768 V CB -0.449 31.250 31.823 -0.207 0.000 0.707 768 V HN 0.697 nan 8.190 nan 0.000 0.480 769 R N 0.368 120.982 120.500 0.191 0.000 2.720 769 R HA 0.301 4.641 4.340 -0.000 0.000 0.272 769 R C 0.670 177.088 176.300 0.196 0.000 0.991 769 R CA -0.655 55.578 56.100 0.222 0.000 1.010 769 R CB 0.784 31.185 30.300 0.168 0.000 1.141 769 R HN 0.132 nan 8.270 nan 0.000 0.494 770 D N 0.523 121.031 120.400 0.181 0.000 2.158 770 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 770 D C 1.519 177.893 176.300 0.123 0.000 0.995 770 D CA 2.019 56.109 54.000 0.150 0.000 0.846 770 D CB -0.100 40.770 40.800 0.117 0.000 0.941 770 D HN 0.672 nan 8.370 nan 0.000 0.456 771 T N -2.114 112.503 114.554 0.106 0.000 3.118 771 T HA -0.037 4.313 4.350 -0.000 0.000 0.260 771 T C 1.072 175.820 174.700 0.079 0.000 1.139 771 T CA 0.475 62.622 62.100 0.079 0.000 1.085 771 T CB 0.132 69.036 68.868 0.060 0.000 0.934 771 T HN -0.026 nan 8.240 nan 0.000 0.518 772 D N 1.400 121.864 120.400 0.106 0.000 2.354 772 D HA 0.122 4.762 4.640 -0.000 0.000 0.209 772 D C 0.906 177.271 176.300 0.108 0.000 1.015 772 D CA 0.178 54.231 54.000 0.089 0.000 0.867 772 D CB 0.175 41.059 40.800 0.141 0.000 0.933 772 D HN 0.420 nan 8.370 nan 0.000 0.520 773 S N 1.110 116.907 115.700 0.162 0.000 2.576 773 S HA 0.024 4.494 4.470 -0.000 0.000 0.276 773 S C 1.268 176.046 174.600 0.296 0.000 1.339 773 S CA -0.788 57.573 58.200 0.268 0.000 1.039 773 S CB 0.562 63.920 63.200 0.264 0.000 0.902 773 S HN 0.335 nan 8.310 nan 0.000 0.516 774 W N 4.937 126.292 121.300 0.092 0.000 2.825 774 W HA 0.176 4.836 4.660 0.000 0.000 0.243 774 W C 0.289 176.844 176.519 0.059 0.000 1.293 774 W CA -0.092 57.301 57.345 0.080 0.000 1.403 774 W CB -0.809 28.729 29.460 0.130 0.000 1.134 774 W HN 0.642 nan 8.180 nan 0.000 0.666 775 R N 1.273 121.628 120.500 -0.242 0.000 2.795 775 R HA 0.079 4.419 4.340 -0.000 0.000 0.320 775 R C 1.628 177.874 176.300 -0.089 0.000 1.223 775 R CA 0.484 56.379 56.100 -0.343 0.000 1.305 775 R CB 0.333 30.269 30.300 -0.607 0.000 1.318 775 R HN 0.040 nan 8.270 nan 0.000 0.636 776 S N -0.916 114.780 115.700 -0.007 0.000 2.419 776 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 776 S C 1.999 176.610 174.600 0.019 0.000 1.019 776 S CA 1.282 59.504 58.200 0.037 0.000 0.982 776 S CB -0.172 63.057 63.200 0.050 0.000 0.789 776 S HN 0.539 nan 8.310 nan 0.000 0.490 777 G N 1.363 110.156 108.800 -0.011 0.000 2.498 777 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 777 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 777 G C 0.916 175.814 174.900 -0.002 0.000 1.119 777 G CA 0.840 45.936 45.100 -0.008 0.000 0.766 777 G HN 0.519 nan 8.290 nan 0.000 0.552 778 D N 0.364 120.759 120.400 -0.007 0.000 2.349 778 D HA 0.035 4.675 4.640 -0.000 0.000 0.214 778 D C 1.461 177.792 176.300 0.053 0.000 1.063 778 D CA 1.081 55.088 54.000 0.013 0.000 0.847 778 D CB -0.176 40.620 40.800 -0.007 0.000 0.933 778 D HN 0.369 nan 8.370 nan 0.000 0.513 779 T N -0.386 114.205 114.554 0.062 0.000 3.473 779 T HA -0.146 4.204 4.350 -0.000 0.000 0.403 779 T C -1.804 172.975 174.700 0.131 0.000 0.768 779 T CA 0.284 62.436 62.100 0.086 0.000 2.009 779 T CB -1.223 67.679 68.868 0.057 0.000 1.715 779 T HN 0.152 nan 8.240 nan 0.000 0.666 780 P HA 0.353 nan 4.420 nan 0.000 0.261 780 P C 0.697 178.220 177.300 0.372 0.000 1.268 780 P CA -0.245 63.011 63.100 0.260 0.000 0.833 780 P CB 0.412 32.255 31.700 0.239 0.000 1.231 781 L N -0.977 120.423 121.223 0.295 0.000 2.578 781 L HA 0.382 4.722 4.340 -0.000 0.000 0.259 781 L C 1.906 178.857 176.870 0.135 0.000 1.082 781 L CA -1.065 53.954 54.840 0.298 0.000 0.843 781 L CB 0.476 42.719 42.059 0.307 0.000 1.535 781 L HN -0.294 nan 8.230 nan 0.000 0.510 782 L N -0.608 120.681 121.223 0.109 0.000 2.529 782 L HA 0.215 4.555 4.340 -0.000 0.000 0.223 782 L C -0.608 176.043 176.870 -0.365 0.000 1.113 782 L CA 0.341 55.091 54.840 -0.149 0.000 0.861 782 L CB 0.103 42.072 42.059 -0.149 0.000 1.012 782 L HN 0.230 nan 8.230 nan 0.000 0.461 783 F N 0.238 120.236 119.950 0.080 0.000 2.540 783 F HA 0.303 4.830 4.527 -0.000 0.000 0.317 783 F C 0.372 176.192 175.800 0.033 0.000 1.104 783 F CA -1.502 56.516 58.000 0.029 0.000 0.913 783 F CB 1.087 40.107 39.000 0.034 0.000 1.170 783 F HN -0.069 nan 8.300 nan 0.000 0.450 784 N N 0.600 119.391 118.700 0.150 0.000 2.364 784 N HA 0.248 4.988 4.740 -0.000 0.000 0.264 784 N C 1.254 176.829 175.510 0.108 0.000 1.263 784 N CA -0.113 52.993 53.050 0.094 0.000 0.959 784 N CB 0.056 38.557 38.487 0.024 0.000 1.204 784 N HN 0.660 nan 8.380 nan 0.000 0.550 785 G N -0.970 107.875 108.800 0.075 0.000 2.485 785 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.221 785 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.221 785 G C 0.597 175.531 174.900 0.056 0.000 1.115 785 G CA 0.800 45.940 45.100 0.067 0.000 0.751 785 G HN 0.686 nan 8.290 nan 0.000 0.567 786 D N 0.159 120.585 120.400 0.044 0.000 2.347 786 D HA 0.130 4.770 4.640 -0.000 0.000 0.215 786 D C 2.030 178.353 176.300 0.038 0.000 0.976 786 D CA 1.036 55.053 54.000 0.029 0.000 0.884 786 D CB -0.095 40.710 40.800 0.009 0.000 0.915 786 D HN 0.442 nan 8.370 nan 0.000 0.526 787 G N 0.309 109.153 108.800 0.074 0.000 2.141 787 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 787 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 787 G C 0.244 175.231 174.900 0.145 0.000 0.984 787 G CA 0.120 45.267 45.100 0.078 0.000 0.660 787 G HN 0.284 nan 8.290 nan 0.000 0.525 788 S N 0.355 116.128 115.700 0.121 0.000 2.585 788 S HA 0.518 4.988 4.470 -0.000 0.000 0.277 788 S C 0.467 175.073 174.600 0.010 0.000 1.241 788 S CA -0.617 57.615 58.200 0.053 0.000 1.041 788 S CB 1.294 64.475 63.200 -0.032 0.000 0.987 788 S HN 0.412 nan 8.310 nan 0.000 0.512 789 K N 2.324 122.618 120.400 -0.178 0.000 2.416 789 K HA 0.142 4.462 4.320 -0.000 0.000 0.283 789 K C 0.058 176.479 176.600 -0.297 0.000 1.037 789 K CA 0.124 56.090 56.287 -0.535 0.000 0.995 789 K CB 0.453 32.514 32.500 -0.731 0.000 0.938 789 K HN 0.433 nan 8.250 nan 0.000 0.475 790 K N 0.877 121.111 120.400 -0.277 0.000 2.127 790 K HA 0.193 4.513 4.320 -0.000 0.000 0.240 790 K C 1.254 177.805 176.600 -0.082 0.000 1.024 790 K CA -0.293 55.906 56.287 -0.147 0.000 0.918 790 K CB 0.654 33.079 32.500 -0.125 0.000 1.108 790 K HN 0.607 nan 8.250 nan 0.000 0.485 791 A N 0.895 123.692 122.820 -0.038 0.000 1.940 791 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 791 A C 2.167 179.756 177.584 0.008 0.000 1.176 791 A CA 2.225 54.283 52.037 0.035 0.000 0.631 791 A CB -1.012 18.007 19.000 0.031 0.000 0.814 791 A HN 0.766 nan 8.150 nan 0.000 0.446 792 A N -1.533 121.252 122.820 -0.058 0.000 1.972 792 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 792 A C 2.072 179.528 177.584 -0.212 0.000 1.169 792 A CA 1.606 53.570 52.037 -0.122 0.000 0.635 792 A CB -0.786 18.092 19.000 -0.203 0.000 0.810 792 A HN 0.775 nan 8.150 nan 0.000 0.446 793 Y N 1.173 121.271 120.300 -0.337 0.000 2.165 793 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 793 Y C 2.569 178.316 175.900 -0.255 0.000 1.155 793 Y CA 2.399 60.265 58.100 -0.391 0.000 1.164 793 Y CB -0.639 37.502 38.460 -0.530 0.000 0.978 793 Y HN 0.294 nan 8.280 nan 0.000 0.513 794 T N 0.561 115.115 114.554 0.001 0.000 2.777 794 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 794 T C 2.107 176.757 174.700 -0.083 0.000 1.040 794 T CA 1.328 63.428 62.100 -0.001 0.000 1.141 794 T CB -0.708 68.215 68.868 0.092 0.000 0.868 794 T HN 0.505 nan 8.240 nan 0.000 0.444 795 A N 0.933 123.722 122.820 -0.053 0.000 1.902 795 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 795 A C 2.565 180.099 177.584 -0.083 0.000 1.181 795 A CA 1.375 53.395 52.037 -0.028 0.000 0.623 795 A CB -1.002 18.009 19.000 0.019 0.000 0.818 795 A HN 0.352 nan 8.150 nan 0.000 0.443 796 V N -0.391 119.423 119.914 -0.168 0.000 2.307 796 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 796 V C 2.488 178.421 176.094 -0.267 0.000 1.045 796 V CA 1.923 64.113 62.300 -0.184 0.000 1.024 796 V CB -0.786 30.870 31.823 -0.278 0.000 0.651 796 V HN 0.575 nan 8.190 nan 0.000 0.449 797 L N 0.860 121.828 121.223 -0.426 0.000 2.042 797 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 797 L C 2.176 178.935 176.870 -0.185 0.000 1.076 797 L CA 2.046 56.658 54.840 -0.380 0.000 0.749 797 L CB -0.901 40.887 42.059 -0.452 0.000 0.893 797 L HN 0.323 nan 8.230 nan 0.000 0.432 798 N N -0.104 118.518 118.700 -0.130 0.000 2.188 798 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 798 N C 1.804 177.285 175.510 -0.048 0.000 1.018 798 N CA 1.413 54.424 53.050 -0.066 0.000 0.858 798 N CB -0.478 37.988 38.487 -0.034 0.000 0.989 798 N HN 0.524 nan 8.380 nan 0.000 0.426 799 A N 0.750 123.542 122.820 -0.048 0.000 1.930 799 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 799 A C 2.287 179.860 177.584 -0.017 0.000 1.175 799 A CA 0.806 52.831 52.037 -0.019 0.000 0.627 799 A CB -0.641 18.360 19.000 0.001 0.000 0.815 799 A HN 0.209 nan 8.150 nan 0.000 0.443 800 L N -0.232 120.969 121.223 -0.037 0.000 2.093 800 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 800 L C 1.565 178.420 176.870 -0.025 0.000 1.085 800 L CA 0.863 55.689 54.840 -0.023 0.000 0.755 800 L CB -0.449 41.580 42.059 -0.050 0.000 0.904 800 L HN 0.315 nan 8.230 nan 0.000 0.435 801 N N -0.124 118.552 118.700 -0.040 0.000 2.521 801 N HA -0.000 4.739 4.740 -0.000 0.000 0.188 801 N C 1.313 176.812 175.510 -0.018 0.000 1.146 801 N CA 1.029 54.062 53.050 -0.030 0.000 0.893 801 N CB 0.845 39.310 38.487 -0.037 0.000 0.975 801 N HN 0.471 nan 8.380 nan 0.000 0.451 802 G N -1.387 107.405 108.800 -0.014 0.000 2.316 802 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.203 802 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.203 802 G C 0.566 175.462 174.900 -0.006 0.000 0.999 802 G CA -0.148 44.947 45.100 -0.009 0.000 0.649 802 G HN 0.576 nan 8.290 nan 0.000 0.489 814 Q N -1.054 118.804 119.800 0.097 0.000 2.318 814 Q HA 0.678 5.018 4.340 -0.000 0.000 0.222 814 Q C -0.525 175.526 176.000 0.084 0.000 1.003 814 Q CA -0.174 55.704 55.803 0.124 0.000 0.936 814 Q CB 1.874 30.659 28.738 0.079 0.000 1.204 814 Q HN 0.388 nan 8.270 nan 0.000 0.524 815 I N 1.375 121.982 120.570 0.062 0.000 2.493 815 I HA 0.261 4.431 4.170 -0.000 0.000 0.279 815 I C -0.734 175.451 176.117 0.112 0.000 1.045 815 I CA -0.427 60.874 61.300 0.002 0.000 1.106 815 I CB 1.276 39.128 38.000 -0.247 0.000 1.216 815 I HN 0.301 nan 8.210 nan 0.000 0.459 816 K N 3.974 124.454 120.400 0.134 0.000 2.201 816 K HA 0.462 4.782 4.320 -0.000 0.000 0.278 816 K C 0.406 177.088 176.600 0.135 0.000 1.027 816 K CA -0.437 55.925 56.287 0.125 0.000 0.909 816 K CB 1.698 34.223 32.500 0.042 0.000 1.062 816 K HN 0.719 nan 8.250 nan 0.000 0.465 817 G N 1.444 110.261 108.800 0.030 0.000 2.349 817 G HA2 0.171 4.131 3.960 -0.000 0.000 0.281 817 G HA3 0.171 4.131 3.960 -0.000 0.000 0.281 817 G C 1.172 175.867 174.900 -0.341 0.000 1.182 817 G CA -0.619 44.192 45.100 -0.482 0.000 0.899 817 G HN 0.508 nan 8.290 nan 0.000 0.455 818 V N 2.113 121.798 119.914 -0.382 0.000 2.407 818 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 818 V C 2.453 178.421 176.094 -0.210 0.000 1.055 818 V CA 2.261 64.421 62.300 -0.233 0.000 1.049 818 V CB -1.014 30.688 31.823 -0.202 0.000 0.662 818 V HN 0.608 nan 8.190 nan 0.000 0.455 819 G N 0.433 109.070 108.800 -0.271 0.000 2.443 819 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 819 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 819 G C 1.712 176.520 174.900 -0.154 0.000 1.131 819 G CA 1.370 46.351 45.100 -0.199 0.000 0.775 819 G HN 0.865 nan 8.290 nan 0.000 0.547 820 S N -1.627 113.974 115.700 -0.165 0.000 2.506 820 S HA 0.378 4.848 4.470 -0.000 0.000 0.219 820 S C 1.868 176.419 174.600 -0.081 0.000 1.031 820 S CA 1.073 59.209 58.200 -0.107 0.000 0.911 820 S CB 0.246 63.392 63.200 -0.090 0.000 0.812 820 S HN 1.441 nan 8.310 nan 0.000 0.497 821 G N 1.815 110.562 108.800 -0.088 0.000 2.168 821 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 821 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 821 G C 0.048 174.930 174.900 -0.031 0.000 0.997 821 G CA 0.313 45.380 45.100 -0.056 0.000 0.708 821 G HN 0.600 nan 8.290 nan 0.000 0.520 822 R N -1.137 119.350 120.500 -0.021 0.000 2.668 822 R HA 0.599 4.939 4.340 -0.000 0.000 0.279 822 R C 0.028 176.374 176.300 0.077 0.000 0.976 822 R CA -0.509 55.601 56.100 0.016 0.000 0.978 822 R CB 1.370 31.678 30.300 0.012 0.000 1.133 822 R HN 0.197 nan 8.270 nan 0.000 0.484 823 c N 1.887 120.541 118.600 0.091 0.000 2.459 823 c HA 0.264 4.834 4.570 -0.000 0.000 0.374 823 c C 0.264 174.445 174.090 0.151 0.000 1.241 823 c CA -0.674 55.726 56.329 0.118 0.000 2.352 823 c CB 0.352 42.906 42.510 0.072 0.000 2.490 823 c HN 0.603 nan 8.230 nan 0.000 0.583 824 L N 3.789 125.075 121.223 0.106 0.000 2.477 824 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 824 L C 0.107 177.122 176.870 0.243 0.000 1.157 824 L CA 1.203 56.051 54.840 0.013 0.000 0.889 824 L CB -0.207 41.593 42.059 -0.432 0.000 1.158 824 L HN 0.679 nan 8.230 nan 0.000 0.473 825 D N 3.698 124.229 120.400 0.219 0.000 2.738 825 D HA 0.257 4.897 4.640 -0.000 0.000 0.237 825 D C -1.351 175.062 176.300 0.189 0.000 1.123 825 D CA -0.512 53.614 54.000 0.211 0.000 0.856 825 D CB 2.401 43.306 40.800 0.175 0.000 1.552 825 D HN 0.246 nan 8.370 nan 0.000 0.480 826 V N 4.650 124.644 119.914 0.132 0.000 2.320 826 V HA 0.238 4.358 4.120 -0.000 0.000 0.265 826 V C -2.093 174.049 176.094 0.080 0.000 1.048 826 V CA -1.509 60.861 62.300 0.117 0.000 0.865 826 V CB 0.790 32.658 31.823 0.074 0.000 1.043 826 V HN 0.473 nan 8.190 nan 0.000 0.474 827 P HA -0.068 nan 4.420 nan 0.000 0.257 827 P C 0.574 177.877 177.300 0.005 0.000 1.153 827 P CA 0.869 63.975 63.100 0.010 0.000 0.762 827 P CB -0.100 31.619 31.700 0.032 0.000 0.743 828 N N 2.770 121.445 118.700 -0.042 0.000 2.713 828 N HA -0.272 4.468 4.740 -0.000 0.000 0.251 828 N C 0.435 175.944 175.510 -0.002 0.000 1.117 828 N CA 0.639 53.670 53.050 -0.033 0.000 0.770 828 N CB -1.690 36.782 38.487 -0.024 0.000 1.137 828 N HN 0.651 nan 8.380 nan 0.000 0.566 829 A N -1.620 121.227 122.820 0.045 0.000 2.822 829 A HA -0.224 4.096 4.320 -0.000 0.000 0.287 829 A C 0.848 178.436 177.584 0.006 0.000 1.479 829 A CA 1.106 53.208 52.037 0.108 0.000 0.779 829 A CB -2.193 16.849 19.000 0.070 0.000 1.022 829 A HN 1.144 nan 8.150 nan 0.000 0.532 830 S N -0.766 114.950 115.700 0.027 0.000 2.603 830 S HA 0.609 5.079 4.470 -0.000 0.000 0.268 830 S C 0.835 175.400 174.600 -0.059 0.000 1.317 830 S CA 0.295 58.471 58.200 -0.039 0.000 1.012 830 S CB 1.368 64.570 63.200 0.004 0.000 0.926 830 S HN 1.579 nan 8.310 nan 0.000 0.539 831 T N -2.380 112.086 114.554 -0.146 0.000 3.228 831 T HA 0.257 4.607 4.350 -0.000 0.000 0.278 831 T C 0.050 174.730 174.700 -0.034 0.000 1.014 831 T CA -0.476 61.541 62.100 -0.139 0.000 0.904 831 T CB -0.460 68.212 68.868 -0.326 0.000 1.110 831 T HN 0.552 nan 8.240 nan 0.000 0.541 832 T N 3.512 118.065 114.554 -0.001 0.000 2.794 832 T HA 0.260 4.610 4.350 -0.000 0.000 0.296 832 T C -0.121 174.610 174.700 0.050 0.000 0.949 832 T CA -0.446 61.660 62.100 0.010 0.000 1.101 832 T CB 0.603 69.479 68.868 0.013 0.000 0.905 832 T HN 0.273 nan 8.240 nan 0.000 0.516 833 D N 1.879 122.294 120.400 0.025 0.000 2.472 833 D HA 0.309 4.949 4.640 -0.000 0.000 0.237 833 D C 1.452 177.852 176.300 0.167 0.000 1.141 833 D CA 1.340 55.389 54.000 0.082 0.000 0.875 833 D CB 0.557 41.326 40.800 -0.053 0.000 1.192 833 D HN 0.877 nan 8.370 nan 0.000 0.450 834 G N 1.610 110.557 108.800 0.245 0.000 2.195 834 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 834 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 834 G C 0.497 175.482 174.900 0.141 0.000 0.984 834 G CA 0.272 45.485 45.100 0.188 0.000 0.633 834 G HN 0.578 nan 8.290 nan 0.000 0.525 835 T N 1.626 116.262 114.554 0.138 0.000 2.799 835 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 835 T C 0.410 175.187 174.700 0.127 0.000 0.947 835 T CA 0.360 62.530 62.100 0.117 0.000 1.141 835 T CB 1.496 70.432 68.868 0.113 0.000 0.891 835 T HN 0.542 nan 8.240 nan 0.000 0.533 836 Q N 2.982 122.845 119.800 0.105 0.000 2.327 836 Q HA 0.390 4.730 4.340 -0.000 0.000 0.254 836 Q C 0.072 176.131 176.000 0.097 0.000 0.952 836 Q CA -0.746 55.116 55.803 0.097 0.000 0.884 836 Q CB 0.668 29.453 28.738 0.079 0.000 1.224 836 Q HN 0.647 nan 8.270 nan 0.000 0.422 837 V N 1.214 121.181 119.914 0.088 0.000 3.036 837 V HA 0.537 4.657 4.120 -0.000 0.000 0.308 837 V C -0.513 175.621 176.094 0.066 0.000 1.070 837 V CA -0.428 61.926 62.300 0.090 0.000 1.056 837 V CB 1.280 33.150 31.823 0.078 0.000 1.084 837 V HN 1.012 nan 8.190 nan 0.000 0.471 838 Q N 2.080 121.934 119.800 0.089 0.000 2.693 838 Q HA 0.698 5.037 4.340 -0.000 0.000 0.306 838 Q C -1.549 174.535 176.000 0.141 0.000 0.969 838 Q CA -1.131 54.737 55.803 0.107 0.000 0.757 838 Q CB 2.214 31.026 28.738 0.123 0.000 1.494 838 Q HN 0.678 nan 8.270 nan 0.000 0.459 839 L N 0.963 122.284 121.223 0.164 0.000 2.343 839 L HA 0.663 5.003 4.340 -0.000 0.000 0.275 839 L C -1.213 175.808 176.870 0.253 0.000 1.056 839 L CA -0.791 54.159 54.840 0.183 0.000 0.804 839 L CB 1.057 43.199 42.059 0.137 0.000 1.203 839 L HN 0.660 nan 8.230 nan 0.000 0.440 840 Y N 0.525 120.870 120.300 0.076 0.000 2.641 840 Y HA 0.188 4.738 4.550 0.000 0.000 0.333 840 Y C -0.848 175.100 175.900 0.079 0.000 1.174 840 Y CA -1.223 56.928 58.100 0.085 0.000 1.057 840 Y CB 1.500 40.026 38.460 0.111 0.000 1.322 840 Y HN 0.543 nan 8.280 nan 0.000 0.457 841 D N 2.699 122.817 120.400 -0.471 0.000 2.586 841 D HA -0.015 4.625 4.640 -0.000 0.000 0.234 841 D C -0.082 176.292 176.300 0.123 0.000 1.132 841 D CA 0.810 54.714 54.000 -0.161 0.000 0.860 841 D CB 0.348 41.010 40.800 -0.230 0.000 1.159 841 D HN 0.486 nan 8.370 nan 0.000 0.490 842 c N 4.486 123.121 118.600 0.058 0.000 2.657 842 c HA 0.233 4.803 4.570 -0.000 0.000 0.420 842 c C 0.640 174.792 174.090 0.103 0.000 1.323 842 c CA -0.032 56.308 56.329 0.018 0.000 1.894 842 c CB -0.846 41.679 42.510 0.025 0.000 2.681 842 c HN 0.735 nan 8.230 nan 0.000 0.613 843 H N -0.670 118.461 119.070 0.102 0.000 3.005 843 H HA 0.206 4.762 4.556 -0.000 0.000 0.311 843 H C -1.229 174.143 175.328 0.073 0.000 1.366 843 H CA -0.524 55.574 56.048 0.084 0.000 1.210 843 H CB 0.793 30.617 29.762 0.102 0.000 1.894 843 H HN 0.456 nan 8.280 nan 0.000 0.520 844 S N 0.896 116.717 115.700 0.202 0.000 2.443 844 S HA 0.576 5.046 4.470 -0.000 0.000 0.284 844 S C -0.288 174.419 174.600 0.179 0.000 1.206 844 S CA 0.228 58.502 58.200 0.125 0.000 1.074 844 S CB -1.179 62.075 63.200 0.089 0.000 0.963 844 S HN 0.856 nan 8.310 nan 0.000 0.501 845 A N 3.810 126.699 122.820 0.114 0.000 2.540 845 A HA 0.533 4.853 4.320 -0.000 0.000 0.297 845 A C 0.916 178.510 177.584 0.017 0.000 1.056 845 A CA -0.265 51.845 52.037 0.122 0.000 0.700 845 A CB 0.472 19.620 19.000 0.248 0.000 1.280 845 A HN 0.837 nan 8.150 nan 0.000 0.398 846 T N -0.039 114.531 114.554 0.027 0.000 2.778 846 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 846 T C 1.161 175.743 174.700 -0.197 0.000 1.050 846 T CA 1.782 63.865 62.100 -0.029 0.000 1.137 846 T CB -0.586 68.344 68.868 0.104 0.000 0.860 846 T HN 0.857 nan 8.240 nan 0.000 0.468 847 N N 1.215 119.871 118.700 -0.073 0.000 2.575 847 N HA -0.065 4.675 4.740 -0.000 0.000 0.192 847 N C 1.224 176.558 175.510 -0.293 0.000 1.200 847 N CA 0.338 53.253 53.050 -0.225 0.000 0.897 847 N CB -0.193 38.343 38.487 0.081 0.000 0.990 847 N HN 0.599 nan 8.380 nan 0.000 0.449 848 Q N -0.813 118.833 119.800 -0.256 0.000 2.157 848 Q HA 0.158 4.498 4.340 -0.000 0.000 0.235 848 Q C -0.483 175.436 176.000 -0.134 0.000 0.803 848 Q CA -0.170 55.565 55.803 -0.114 0.000 0.967 848 Q CB 0.781 29.456 28.738 -0.106 0.000 1.150 848 Q HN 0.292 nan 8.270 nan 0.000 0.482 849 Q N 0.230 119.835 119.800 -0.326 0.000 2.349 849 Q HA 0.156 4.496 4.340 -0.000 0.000 0.254 849 Q C -1.159 174.603 176.000 -0.396 0.000 0.980 849 Q CA 0.392 56.063 55.803 -0.220 0.000 0.924 849 Q CB 0.207 28.853 28.738 -0.152 0.000 1.209 849 Q HN 0.101 nan 8.270 nan 0.000 0.445 850 W N 1.312 122.553 121.300 -0.098 0.000 2.475 850 W HA 0.360 5.020 4.660 -0.000 0.000 0.317 850 W C -0.016 176.483 176.519 -0.033 0.000 1.046 850 W CA -0.569 56.720 57.345 -0.094 0.000 1.215 850 W CB 1.523 30.907 29.460 -0.128 0.000 1.335 850 W HN 0.186 nan 8.180 nan 0.000 0.471 851 T N 3.360 118.031 114.554 0.195 0.000 2.756 851 T HA 0.132 4.482 4.350 -0.000 0.000 0.290 851 T C -1.256 173.581 174.700 0.228 0.000 0.985 851 T CA -0.387 61.810 62.100 0.160 0.000 0.955 851 T CB 0.193 69.110 68.868 0.081 0.000 0.930 851 T HN 0.150 nan 8.240 nan 0.000 0.451 852 Y N 4.551 124.897 120.300 0.076 0.000 2.404 852 Y HA 0.392 4.942 4.550 -0.000 0.000 0.344 852 Y C 0.936 176.872 175.900 0.060 0.000 0.995 852 Y CA -1.073 57.067 58.100 0.067 0.000 1.201 852 Y CB 0.127 38.614 38.460 0.044 0.000 1.151 852 Y HN 0.712 nan 8.280 nan 0.000 0.517 853 T N 0.909 115.316 114.554 -0.245 0.000 2.881 853 T HA 0.193 4.543 4.350 -0.000 0.000 0.278 853 T C 0.832 175.311 174.700 -0.369 0.000 0.982 853 T CA -0.631 61.337 62.100 -0.220 0.000 0.989 853 T CB 1.010 69.820 68.868 -0.096 0.000 1.058 853 T HN 0.532 nan 8.240 nan 0.000 0.529 854 D N 0.639 120.922 120.400 -0.195 0.000 2.221 854 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 854 D C 2.108 178.319 176.300 -0.148 0.000 0.982 854 D CA 1.495 55.404 54.000 -0.152 0.000 0.857 854 D CB -0.498 40.264 40.800 -0.063 0.000 0.934 854 D HN 0.747 nan 8.370 nan 0.000 0.475 855 A N -0.700 122.036 122.820 -0.140 0.000 2.123 855 A HA 0.371 4.691 4.320 -0.000 0.000 0.214 855 A C 1.734 179.234 177.584 -0.141 0.000 1.152 855 A CA 1.265 53.239 52.037 -0.106 0.000 0.728 855 A CB 0.023 18.977 19.000 -0.076 0.000 0.814 855 A HN 0.267 nan 8.150 nan 0.000 0.464 856 G N -0.643 108.000 108.800 -0.262 0.000 2.138 856 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.193 856 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.193 856 G C -0.274 174.660 174.900 0.056 0.000 0.998 856 G CA 0.122 45.096 45.100 -0.210 0.000 0.668 856 G HN 0.585 nan 8.290 nan 0.000 0.516 857 E N -0.610 119.597 120.200 0.011 0.000 2.283 857 E HA 0.679 5.029 4.350 -0.000 0.000 0.267 857 E C 0.072 176.858 176.600 0.310 0.000 1.045 857 E CA -0.650 55.873 56.400 0.206 0.000 0.884 857 E CB 1.473 31.239 29.700 0.110 0.000 1.106 857 E HN 0.198 nan 8.360 nan 0.000 0.408 858 L N 2.825 124.269 121.223 0.369 0.000 2.337 858 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 858 L C -0.159 176.944 176.870 0.389 0.000 1.018 858 L CA -0.356 54.685 54.840 0.335 0.000 0.876 858 L CB 0.592 42.686 42.059 0.058 0.000 1.236 858 L HN 0.289 nan 8.230 nan 0.000 0.436 859 R N 1.941 122.601 120.500 0.266 0.000 2.457 859 R HA 0.649 4.989 4.340 -0.000 0.000 0.284 859 R C -0.839 175.420 176.300 -0.070 0.000 1.024 859 R CA -0.581 55.595 56.100 0.127 0.000 1.025 859 R CB 2.631 32.974 30.300 0.072 0.000 1.063 859 R HN 0.261 nan 8.270 nan 0.000 0.493 860 V N 3.924 123.652 119.914 -0.309 0.000 2.841 860 V HA 0.232 4.352 4.120 -0.000 0.000 0.310 860 V C -1.036 174.760 176.094 -0.497 0.000 1.090 860 V CA -0.439 61.394 62.300 -0.778 0.000 0.930 860 V CB 1.166 32.050 31.823 -1.564 0.000 1.014 860 V HN 0.913 nan 8.190 nan 0.000 0.425 861 Y N 4.106 124.275 120.300 -0.219 0.000 4.798 861 Y HA -0.223 4.327 4.550 -0.000 0.000 0.237 861 Y C 1.702 177.554 175.900 -0.080 0.000 1.017 861 Y CA 1.404 59.424 58.100 -0.133 0.000 2.010 861 Y CB -1.952 36.437 38.460 -0.119 0.000 1.582 861 Y HN 1.669 nan 8.280 nan 0.000 0.621 862 G N -0.894 107.920 108.800 0.024 0.000 2.363 862 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.238 862 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.238 862 G C 0.567 175.495 174.900 0.046 0.000 1.062 862 G CA 0.816 45.935 45.100 0.031 0.000 0.629 862 G HN 0.501 nan 8.290 nan 0.000 0.514 863 D N -0.270 120.171 120.400 0.068 0.000 2.538 863 D HA 0.236 4.876 4.640 -0.000 0.000 0.241 863 D C 0.317 176.674 176.300 0.094 0.000 1.297 863 D CA 0.022 54.065 54.000 0.072 0.000 0.804 863 D CB 0.238 41.072 40.800 0.057 0.000 1.122 863 D HN 0.239 nan 8.370 nan 0.000 0.519 864 K N 0.175 120.639 120.400 0.105 0.000 2.156 864 K HA 0.529 4.849 4.320 -0.000 0.000 0.254 864 K C -0.614 176.069 176.600 0.139 0.000 0.950 864 K CA -0.484 55.883 56.287 0.133 0.000 0.849 864 K CB 1.898 34.507 32.500 0.181 0.000 1.100 864 K HN -0.027 nan 8.250 nan 0.000 0.434 865 c N 1.936 120.667 118.600 0.220 0.000 2.561 865 c HA 0.376 4.946 4.570 -0.000 0.000 0.319 865 c C -0.218 174.086 174.090 0.357 0.000 1.198 865 c CA -0.971 55.526 56.329 0.280 0.000 1.665 865 c CB 1.246 43.914 42.510 0.264 0.000 2.258 865 c HN 0.744 nan 8.230 nan 0.000 0.493 866 L N 3.759 125.222 121.223 0.399 0.000 2.455 866 L HA 0.297 4.637 4.340 -0.000 0.000 0.272 866 L C 0.059 177.209 176.870 0.467 0.000 1.174 866 L CA 1.374 56.391 54.840 0.294 0.000 0.869 866 L CB 0.033 41.992 42.059 -0.167 0.000 1.130 866 L HN 0.680 nan 8.230 nan 0.000 0.474 867 D N 4.098 124.735 120.400 0.395 0.000 2.879 867 D HA 0.519 5.159 4.640 -0.000 0.000 0.236 867 D C -1.506 174.990 176.300 0.327 0.000 1.171 867 D CA -0.521 53.703 54.000 0.374 0.000 0.868 867 D CB 2.186 43.178 40.800 0.319 0.000 1.598 867 D HN 0.674 nan 8.370 nan 0.000 0.497 868 A N 2.222 125.201 122.820 0.265 0.000 2.260 868 A HA 0.609 4.929 4.320 -0.000 0.000 0.314 868 A C 0.248 177.884 177.584 0.086 0.000 1.257 868 A CA -0.404 51.746 52.037 0.189 0.000 0.871 868 A CB 1.024 20.099 19.000 0.124 0.000 1.166 868 A HN 0.530 nan 8.150 nan 0.000 0.522 869 A N 2.647 125.514 122.820 0.078 0.000 3.117 869 A HA 0.594 4.914 4.320 -0.000 0.000 0.255 869 A C 0.842 178.444 177.584 0.031 0.000 1.583 869 A CA 0.497 52.555 52.037 0.034 0.000 1.234 869 A CB -1.060 17.962 19.000 0.037 0.000 1.076 869 A HN 2.356 nan 8.150 nan 0.000 0.653 870 G N -1.373 107.443 108.800 0.027 0.000 2.352 870 G HA2 0.331 4.291 3.960 -0.000 0.000 0.302 870 G HA3 0.331 4.291 3.960 -0.000 0.000 0.302 870 G C 0.094 175.000 174.900 0.011 0.000 1.370 870 G CA 0.235 45.346 45.100 0.020 0.000 0.918 870 G HN 0.772 nan 8.290 nan 0.000 0.610 871 T N -2.228 112.327 114.554 0.003 0.000 3.040 871 T HA 0.554 4.904 4.350 -0.000 0.000 0.266 871 T C 1.141 175.837 174.700 -0.007 0.000 1.005 871 T CA 1.165 63.257 62.100 -0.012 0.000 0.906 871 T CB 0.786 69.641 68.868 -0.023 0.000 1.082 871 T HN 1.523 nan 8.240 nan 0.000 0.531 872 G N 0.889 109.694 108.800 0.008 0.000 2.511 872 G HA2 0.478 4.438 3.960 -0.000 0.000 0.316 872 G HA3 0.478 4.438 3.960 -0.000 0.000 0.316 872 G C -0.461 174.454 174.900 0.025 0.000 1.210 872 G CA -0.896 44.206 45.100 0.004 0.000 0.969 872 G HN 0.243 nan 8.290 nan 0.000 0.492 873 N N -0.261 118.439 118.700 0.001 0.000 2.454 873 N HA 0.238 4.978 4.740 -0.000 0.000 0.254 873 N C 1.294 176.923 175.510 0.198 0.000 1.228 873 N CA 1.531 54.615 53.050 0.056 0.000 0.900 873 N CB 1.179 39.586 38.487 -0.133 0.000 1.089 873 N HN 1.038 nan 8.380 nan 0.000 0.449 874 G N 1.141 110.128 108.800 0.311 0.000 2.199 874 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 874 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 874 G C 0.333 175.312 174.900 0.131 0.000 0.982 874 G CA 0.337 45.556 45.100 0.198 0.000 0.632 874 G HN 0.599 nan 8.290 nan 0.000 0.529 875 T N 1.488 116.116 114.554 0.123 0.000 2.933 875 T HA 0.310 4.660 4.350 -0.000 0.000 0.306 875 T C 0.682 175.444 174.700 0.103 0.000 1.045 875 T CA 0.913 63.071 62.100 0.097 0.000 1.143 875 T CB 0.988 69.909 68.868 0.087 0.000 1.003 875 T HN 0.570 nan 8.240 nan 0.000 0.540 876 K N 2.748 123.202 120.400 0.089 0.000 2.298 876 K HA 0.329 4.649 4.320 -0.000 0.000 0.280 876 K C -0.970 175.692 176.600 0.102 0.000 1.032 876 K CA -0.530 55.808 56.287 0.086 0.000 0.958 876 K CB 0.504 33.050 32.500 0.076 0.000 0.978 876 K HN 0.300 nan 8.250 nan 0.000 0.472 877 V N 5.659 125.626 119.914 0.089 0.000 2.417 877 V HA 0.243 4.363 4.120 -0.000 0.000 0.291 877 V C -0.130 176.013 176.094 0.082 0.000 1.024 877 V CA -0.437 61.916 62.300 0.087 0.000 0.861 877 V CB 1.080 32.898 31.823 -0.007 0.000 0.985 877 V HN 0.998 nan 8.190 nan 0.000 0.436 878 Q N 5.286 125.165 119.800 0.132 0.000 3.019 878 Q HA 0.739 5.079 4.340 -0.000 0.000 0.337 878 Q C -0.994 175.140 176.000 0.223 0.000 0.900 878 Q CA -1.030 54.869 55.803 0.161 0.000 0.800 878 Q CB 2.663 31.501 28.738 0.167 0.000 1.437 878 Q HN 0.660 nan 8.270 nan 0.000 0.505 879 I N -2.052 118.667 120.570 0.249 0.000 2.562 879 I HA 0.799 4.969 4.170 -0.000 0.000 0.301 879 I C -1.466 174.857 176.117 0.343 0.000 1.003 879 I CA -1.002 60.470 61.300 0.287 0.000 1.127 879 I CB 1.861 40.005 38.000 0.240 0.000 1.304 879 I HN 0.732 nan 8.210 nan 0.000 0.446 880 Y N 2.421 122.837 120.300 0.193 0.000 2.592 880 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 880 Y C -0.487 175.535 175.900 0.203 0.000 1.136 880 Y CA -0.715 57.496 58.100 0.186 0.000 1.042 880 Y CB 2.098 40.685 38.460 0.211 0.000 1.325 880 Y HN 0.800 nan 8.280 nan 0.000 0.457 881 S N 2.468 118.028 115.700 -0.232 0.000 2.593 881 S HA -0.017 4.452 4.470 -0.000 0.000 0.300 881 S C -0.312 174.456 174.600 0.280 0.000 1.267 881 S CA -0.010 58.168 58.200 -0.037 0.000 1.065 881 S CB -0.416 62.665 63.200 -0.198 0.000 0.807 881 S HN 0.632 nan 8.310 nan 0.000 0.499 882 c N 5.585 124.326 118.600 0.235 0.000 2.648 882 c HA 0.175 4.745 4.570 -0.000 0.000 0.419 882 c C 1.517 175.807 174.090 0.333 0.000 1.352 882 c CA -0.397 56.083 56.329 0.252 0.000 1.816 882 c CB -1.059 41.540 42.510 0.149 0.000 2.598 882 c HN 1.089 nan 8.230 nan 0.000 0.598 883 W N 1.307 122.685 121.300 0.129 0.000 1.857 883 W HA 0.364 5.024 4.660 0.000 0.000 0.244 883 W C 0.698 177.261 176.519 0.072 0.000 0.859 883 W CA 0.233 57.638 57.345 0.100 0.000 1.112 883 W CB -0.728 28.809 29.460 0.128 0.000 0.967 883 W HN 0.916 nan 8.180 nan 0.000 0.524 884 G N 1.500 110.029 108.800 -0.451 0.000 2.159 884 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.227 884 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.227 884 G C 0.553 174.968 174.900 -0.807 0.000 0.986 884 G CA -0.146 44.677 45.100 -0.461 0.000 0.651 884 G HN 0.659 nan 8.290 nan 0.000 0.523 885 G N -0.431 107.394 108.800 -1.625 0.000 2.569 885 G HA2 0.437 4.397 3.960 -0.000 0.000 0.249 885 G HA3 0.437 4.397 3.960 -0.000 0.000 0.249 885 G C 0.616 175.145 174.900 -0.617 0.000 1.216 885 G CA 0.380 44.666 45.100 -1.357 0.000 0.845 885 G HN 0.057 nan 8.290 nan 0.000 0.568 886 D N 0.156 120.327 120.400 -0.383 0.000 2.310 886 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 886 D C 2.033 178.123 176.300 -0.350 0.000 0.965 886 D CA 0.795 54.615 54.000 -0.300 0.000 0.879 886 D CB 0.163 40.844 40.800 -0.200 0.000 0.921 886 D HN 0.590 nan 8.370 nan 0.000 0.510 887 N N 0.232 118.754 118.700 -0.296 0.000 2.461 887 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 887 N C 0.794 176.122 175.510 -0.302 0.000 1.134 887 N CA 0.281 53.167 53.050 -0.274 0.000 0.878 887 N CB 0.031 38.461 38.487 -0.094 0.000 0.972 887 N HN 0.258 nan 8.380 nan 0.000 0.456 888 Q N -0.536 119.065 119.800 -0.332 0.000 2.159 888 Q HA 0.245 4.585 4.340 -0.000 0.000 0.217 888 Q C -0.618 175.227 176.000 -0.258 0.000 0.818 888 Q CA -0.173 55.540 55.803 -0.149 0.000 1.008 888 Q CB 0.847 29.520 28.738 -0.109 0.000 1.148 888 Q HN 0.050 nan 8.270 nan 0.000 0.491 889 K N 0.323 120.371 120.400 -0.585 0.000 2.221 889 K HA 0.458 4.778 4.320 -0.000 0.000 0.258 889 K C -1.550 174.585 176.600 -0.776 0.000 0.944 889 K CA 0.044 56.067 56.287 -0.440 0.000 0.823 889 K CB 1.066 33.386 32.500 -0.300 0.000 1.113 889 K HN -0.052 nan 8.250 nan 0.000 0.431 890 W N 1.488 122.821 121.300 0.056 0.000 3.032 890 W HA 0.513 5.173 4.660 -0.000 0.000 0.335 890 W C -0.362 176.226 176.519 0.114 0.000 1.154 890 W CA -0.800 56.574 57.345 0.049 0.000 1.204 890 W CB 1.420 30.884 29.460 0.006 0.000 1.416 890 W HN 0.131 nan 8.180 nan 0.000 0.521 891 R N 2.363 123.006 120.500 0.239 0.000 2.343 891 R HA 0.502 4.842 4.340 -0.000 0.000 0.320 891 R C -0.836 175.497 176.300 0.055 0.000 0.956 891 R CA -0.895 55.297 56.100 0.154 0.000 0.836 891 R CB 1.198 31.548 30.300 0.083 0.000 1.151 891 R HN 0.390 nan 8.270 nan 0.000 0.450 892 L N 4.297 125.485 121.223 -0.059 0.000 2.288 892 L HA 0.276 4.616 4.340 -0.000 0.000 0.283 892 L C -0.089 176.752 176.870 -0.050 0.000 1.072 892 L CA -0.702 54.044 54.840 -0.156 0.000 0.862 892 L CB 0.133 41.945 42.059 -0.411 0.000 1.245 892 L HN 0.448 nan 8.230 nan 0.000 0.432 893 N N 0.878 119.575 118.700 -0.005 0.000 2.482 893 N HA 0.012 4.752 4.740 -0.000 0.000 0.260 893 N C 1.284 176.795 175.510 0.003 0.000 1.236 893 N CA 0.049 53.107 53.050 0.013 0.000 0.938 893 N CB 1.448 39.952 38.487 0.029 0.000 1.128 893 N HN 0.537 nan 8.380 nan 0.000 0.448 894 S N -0.054 115.648 115.700 0.003 0.000 2.419 894 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 894 S C 0.838 175.437 174.600 -0.001 0.000 1.016 894 S CA 1.452 59.650 58.200 -0.003 0.000 0.974 894 S CB -0.479 62.717 63.200 -0.006 0.000 0.786 894 S HN 0.765 nan 8.310 nan 0.000 0.492 895 D N 0.218 120.621 120.400 0.004 0.000 2.332 895 D HA 0.371 5.011 4.640 -0.000 0.000 0.244 895 D C 1.312 177.615 176.300 0.005 0.000 1.136 895 D CA 0.431 54.432 54.000 0.002 0.000 0.884 895 D CB -0.579 40.224 40.800 0.004 0.000 0.906 895 D HN 0.492 nan 8.370 nan 0.000 0.520 896 G N 0.036 108.845 108.800 0.014 0.000 2.179 896 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 896 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 896 G C 0.493 175.457 174.900 0.106 0.000 0.977 896 G CA 0.417 45.537 45.100 0.034 0.000 0.641 896 G HN 0.792 nan 8.290 nan 0.000 0.533 897 S N -0.424 115.334 115.700 0.096 0.000 2.632 897 S HA 0.770 5.240 4.470 -0.000 0.000 0.271 897 S C -0.026 174.647 174.600 0.122 0.000 1.260 897 S CA -0.655 57.643 58.200 0.163 0.000 1.010 897 S CB 2.109 65.375 63.200 0.111 0.000 0.965 897 S HN 0.605 nan 8.310 nan 0.000 0.534 898 I N 1.886 122.527 120.570 0.118 0.000 2.411 898 I HA 0.339 4.509 4.170 -0.000 0.000 0.284 898 I C -1.092 175.108 176.117 0.138 0.000 1.012 898 I CA -0.822 60.482 61.300 0.007 0.000 1.119 898 I CB 1.784 39.612 38.000 -0.287 0.000 1.261 898 I HN 0.402 nan 8.210 nan 0.000 0.448 899 V N 4.734 124.758 119.914 0.183 0.000 2.483 899 V HA 0.522 4.642 4.120 -0.000 0.000 0.295 899 V C 0.780 176.999 176.094 0.210 0.000 1.035 899 V CA -0.675 61.737 62.300 0.187 0.000 0.896 899 V CB 1.697 33.565 31.823 0.075 0.000 0.986 899 V HN 0.837 nan 8.190 nan 0.000 0.447 900 G N 2.524 111.375 108.800 0.084 0.000 2.364 900 G HA2 0.371 4.331 3.960 -0.000 0.000 0.267 900 G HA3 0.371 4.331 3.960 -0.000 0.000 0.267 900 G C 0.918 175.616 174.900 -0.337 0.000 1.233 900 G CA -0.280 44.541 45.100 -0.465 0.000 0.885 900 G HN 0.558 nan 8.290 nan 0.000 0.490 901 V N 2.231 121.902 119.914 -0.405 0.000 2.282 901 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 901 V C 2.874 178.837 176.094 -0.217 0.000 1.057 901 V CA 2.516 64.662 62.300 -0.257 0.000 1.032 901 V CB -0.562 31.112 31.823 -0.249 0.000 0.645 901 V HN 0.877 nan 8.190 nan 0.000 0.447 902 Q N 0.029 119.671 119.800 -0.263 0.000 2.046 902 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 902 Q C 2.397 178.318 176.000 -0.132 0.000 0.975 902 Q CA 2.208 57.904 55.803 -0.178 0.000 0.836 902 Q CB -0.068 28.560 28.738 -0.183 0.000 0.896 902 Q HN 0.795 nan 8.270 nan 0.000 0.428 903 S N -1.784 113.827 115.700 -0.147 0.000 2.406 903 S HA 0.149 4.619 4.470 -0.000 0.000 0.224 903 S C 1.544 176.102 174.600 -0.071 0.000 1.030 903 S CA 0.707 58.854 58.200 -0.089 0.000 0.958 903 S CB 0.247 63.407 63.200 -0.067 0.000 0.811 903 S HN 0.678 nan 8.310 nan 0.000 0.489 904 G N 0.566 109.319 108.800 -0.079 0.000 2.176 904 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.253 904 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.253 904 G C -0.147 174.739 174.900 -0.023 0.000 0.979 904 G CA 0.316 45.383 45.100 -0.054 0.000 0.641 904 G HN 0.438 nan 8.290 nan 0.000 0.530 905 L N 0.394 121.615 121.223 -0.005 0.000 2.416 905 L HA 0.708 5.048 4.340 -0.000 0.000 0.262 905 L C 1.097 178.032 176.870 0.108 0.000 1.093 905 L CA -0.991 53.869 54.840 0.034 0.000 0.801 905 L CB 1.120 43.200 42.059 0.034 0.000 1.191 905 L HN 0.239 nan 8.230 nan 0.000 0.459 906 c N 1.256 119.935 118.600 0.131 0.000 2.364 906 c HA 0.443 5.013 4.570 -0.000 0.000 0.356 906 c C 0.420 174.632 174.090 0.204 0.000 1.201 906 c CA -1.136 55.299 56.329 0.177 0.000 2.227 906 c CB 0.914 43.523 42.510 0.166 0.000 2.387 906 c HN 0.504 nan 8.230 nan 0.000 0.546 907 L N 3.362 124.683 121.223 0.162 0.000 2.477 907 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 907 L C 0.159 177.217 176.870 0.312 0.000 1.157 907 L CA 0.974 55.846 54.840 0.054 0.000 0.889 907 L CB 0.018 41.836 42.059 -0.401 0.000 1.158 907 L HN 0.700 nan 8.230 nan 0.000 0.473 908 D N 4.064 124.619 120.400 0.259 0.000 2.593 908 D HA 0.331 4.971 4.640 -0.000 0.000 0.251 908 D C -0.639 175.785 176.300 0.208 0.000 1.140 908 D CA -0.492 53.661 54.000 0.255 0.000 0.855 908 D CB 2.156 43.081 40.800 0.209 0.000 1.267 908 D HN 0.505 nan 8.370 nan 0.000 0.532 909 A N 3.959 126.902 122.820 0.205 0.000 2.444 909 A HA 0.311 4.631 4.320 -0.000 0.000 0.273 909 A C 0.570 178.176 177.584 0.036 0.000 1.136 909 A CA -0.418 51.701 52.037 0.137 0.000 0.799 909 A CB 0.173 19.215 19.000 0.070 0.000 1.081 909 A HN 0.476 nan 8.150 nan 0.000 0.509 910 V N 3.289 123.219 119.914 0.027 0.000 2.678 910 V HA 0.189 4.309 4.120 -0.000 0.000 0.304 910 V C 1.815 177.882 176.094 -0.045 0.000 1.086 910 V CA 1.804 64.090 62.300 -0.023 0.000 1.246 910 V CB -0.469 31.351 31.823 -0.006 0.000 0.861 910 V HN 1.889 nan 8.190 nan 0.000 0.491 911 G N 3.648 112.395 108.800 -0.088 0.000 2.205 911 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.269 911 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.269 911 G C 1.231 176.091 174.900 -0.067 0.000 0.977 911 G CA 0.816 45.867 45.100 -0.081 0.000 0.652 911 G HN 2.450 nan 8.290 nan 0.000 0.539 912 G N -1.462 107.300 108.800 -0.063 0.000 2.175 912 G HA2 0.230 4.190 3.960 -0.000 0.000 0.244 912 G HA3 0.230 4.190 3.960 -0.000 0.000 0.244 912 G C 1.429 176.296 174.900 -0.055 0.000 0.982 912 G CA 0.867 45.928 45.100 -0.065 0.000 0.641 912 G HN 2.181 nan 8.290 nan 0.000 0.527 913 G N 0.250 109.028 108.800 -0.037 0.000 2.224 913 G HA2 0.433 4.392 3.960 -0.000 0.000 0.239 913 G HA3 0.433 4.392 3.960 -0.000 0.000 0.239 913 G C 1.120 176.003 174.900 -0.029 0.000 1.240 913 G CA 1.257 46.343 45.100 -0.024 0.000 0.896 913 G HN 1.369 nan 8.290 nan 0.000 0.496 914 T N -0.650 113.885 114.554 -0.032 0.000 2.990 914 T HA 0.538 4.888 4.350 -0.000 0.000 0.250 914 T C 1.212 175.896 174.700 -0.028 0.000 1.041 914 T CA 0.576 62.651 62.100 -0.042 0.000 1.010 914 T CB 0.345 69.182 68.868 -0.052 0.000 1.003 914 T HN 0.880 nan 8.240 nan 0.000 0.499 915 A N 2.198 125.009 122.820 -0.016 0.000 2.332 915 A HA 0.507 4.827 4.320 -0.000 0.000 0.258 915 A C 0.308 177.898 177.584 0.011 0.000 1.087 915 A CA -0.692 51.337 52.037 -0.012 0.000 0.802 915 A CB 0.004 19.002 19.000 -0.004 0.000 1.042 915 A HN 0.376 nan 8.150 nan 0.000 0.489 916 N N -0.031 118.664 118.700 -0.008 0.000 2.407 916 N HA 0.260 5.000 4.740 -0.000 0.000 0.250 916 N C 1.229 176.826 175.510 0.144 0.000 1.236 916 N CA 1.770 54.852 53.050 0.053 0.000 0.879 916 N CB 0.780 39.245 38.487 -0.037 0.000 1.088 916 N HN 1.284 nan 8.380 nan 0.000 0.450 917 G N 0.757 109.687 108.800 0.215 0.000 2.195 917 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 917 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 917 G C 0.197 175.161 174.900 0.106 0.000 0.984 917 G CA 0.377 45.571 45.100 0.157 0.000 0.633 917 G HN 0.623 nan 8.290 nan 0.000 0.525 918 T N 2.446 117.056 114.554 0.093 0.000 2.902 918 T HA 0.455 4.805 4.350 -0.000 0.000 0.301 918 T C 0.959 175.707 174.700 0.081 0.000 1.012 918 T CA 0.155 62.296 62.100 0.070 0.000 1.151 918 T CB 0.856 69.757 68.868 0.054 0.000 0.946 918 T HN 0.359 nan 8.240 nan 0.000 0.542 919 L N 3.822 125.084 121.223 0.065 0.000 2.418 919 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 919 L C 0.272 177.181 176.870 0.065 0.000 1.143 919 L CA -1.002 53.876 54.840 0.064 0.000 0.809 919 L CB 0.493 42.584 42.059 0.053 0.000 1.124 919 L HN 0.392 nan 8.230 nan 0.000 0.456 920 I N 1.947 122.548 120.570 0.052 0.000 2.392 920 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 920 I C -0.000 176.141 176.117 0.040 0.000 0.985 920 I CA -0.291 61.033 61.300 0.040 0.000 1.221 920 I CB 1.387 39.351 38.000 -0.060 0.000 1.366 920 I HN 0.727 nan 8.210 nan 0.000 0.467 921 Q N 5.312 125.153 119.800 0.068 0.000 2.605 921 Q HA 0.748 5.088 4.340 -0.000 0.000 0.296 921 Q C -1.608 174.477 176.000 0.141 0.000 1.056 921 Q CA -1.025 54.835 55.803 0.096 0.000 0.778 921 Q CB 2.376 31.172 28.738 0.097 0.000 1.497 921 Q HN 0.434 nan 8.270 nan 0.000 0.443 922 L N 1.326 122.653 121.223 0.174 0.000 2.307 922 L HA 0.619 4.959 4.340 -0.000 0.000 0.282 922 L C -1.222 175.810 176.870 0.270 0.000 1.051 922 L CA -0.748 54.212 54.840 0.200 0.000 0.804 922 L CB 0.798 42.957 42.059 0.166 0.000 1.197 922 L HN 0.638 nan 8.230 nan 0.000 0.431 923 Y N 0.338 120.684 120.300 0.077 0.000 2.624 923 Y HA 0.232 4.782 4.550 -0.000 0.000 0.334 923 Y C -0.049 175.882 175.900 0.053 0.000 1.155 923 Y CA -0.935 57.199 58.100 0.058 0.000 1.046 923 Y CB 1.931 40.423 38.460 0.054 0.000 1.316 923 Y HN 0.509 nan 8.280 nan 0.000 0.457 924 S N 1.883 117.304 115.700 -0.465 0.000 2.563 924 S HA 0.033 4.503 4.470 -0.000 0.000 0.294 924 S C -0.373 174.222 174.600 -0.008 0.000 1.279 924 S CA -0.120 57.942 58.200 -0.230 0.000 1.069 924 S CB -0.429 62.579 63.200 -0.319 0.000 0.828 924 S HN 0.601 nan 8.310 nan 0.000 0.497 925 c N 3.629 122.237 118.600 0.013 0.000 2.653 925 c HA 0.340 4.910 4.570 -0.000 0.000 0.421 925 c C 1.654 175.772 174.090 0.046 0.000 1.334 925 c CA -0.183 56.178 56.329 0.053 0.000 1.885 925 c CB -0.476 42.057 42.510 0.039 0.000 2.645 925 c HN 1.020 nan 8.230 nan 0.000 0.601 926 S N 0.748 116.485 115.700 0.060 0.000 2.998 926 S HA 0.121 4.591 4.470 -0.000 0.000 0.256 926 S C 0.342 174.958 174.600 0.026 0.000 0.970 926 S CA -0.008 58.219 58.200 0.045 0.000 1.238 926 S CB -0.817 62.423 63.200 0.068 0.000 1.170 926 S HN 0.926 nan 8.310 nan 0.000 0.663 927 N N 1.227 119.941 118.700 0.023 0.000 2.693 927 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 927 N C 0.614 176.110 175.510 -0.024 0.000 1.119 927 N CA 0.488 53.538 53.050 0.000 0.000 0.717 927 N CB -1.139 37.346 38.487 -0.003 0.000 1.071 927 N HN 0.784 nan 8.380 nan 0.000 0.555 928 G N -0.510 108.277 108.800 -0.021 0.000 2.684 928 G HA2 0.220 4.180 3.960 -0.000 0.000 0.255 928 G HA3 0.220 4.180 3.960 -0.000 0.000 0.255 928 G C 1.034 175.874 174.900 -0.099 0.000 1.219 928 G CA 0.304 45.376 45.100 -0.047 0.000 0.901 928 G HN 0.378 nan 8.290 nan 0.000 0.548 929 S N -0.113 115.515 115.700 -0.120 0.000 2.423 929 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 929 S C 1.675 176.106 174.600 -0.282 0.000 1.014 929 S CA 1.117 59.210 58.200 -0.178 0.000 0.965 929 S CB -0.246 62.867 63.200 -0.145 0.000 0.785 929 S HN 0.746 nan 8.310 nan 0.000 0.495 930 N N 1.125 119.685 118.700 -0.233 0.000 2.421 930 N HA 0.025 4.765 4.740 -0.000 0.000 0.201 930 N C 0.736 176.074 175.510 -0.287 0.000 1.198 930 N CA 0.106 52.985 53.050 -0.285 0.000 0.838 930 N CB -0.209 38.192 38.487 -0.144 0.000 1.011 930 N HN 0.604 nan 8.380 nan 0.000 0.463 931 Q N -0.567 119.058 119.800 -0.290 0.000 2.113 931 Q HA 0.268 4.608 4.340 -0.000 0.000 0.225 931 Q C -0.369 175.492 176.000 -0.232 0.000 0.786 931 Q CA -0.249 55.506 55.803 -0.081 0.000 0.989 931 Q CB 1.322 30.097 28.738 0.062 0.000 1.174 931 Q HN 0.224 nan 8.270 nan 0.000 0.470 932 R N 0.146 120.320 120.500 -0.543 0.000 2.393 932 R HA 0.407 4.747 4.340 -0.000 0.000 0.310 932 R C -1.412 174.453 176.300 -0.726 0.000 0.968 932 R CA -0.156 55.707 56.100 -0.395 0.000 0.867 932 R CB 1.024 31.189 30.300 -0.225 0.000 1.124 932 R HN -0.066 nan 8.270 nan 0.000 0.450 933 W N 0.146 121.391 121.300 -0.091 0.000 2.950 933 W HA 0.446 5.106 4.660 -0.000 0.000 0.340 933 W C 0.002 176.461 176.519 -0.099 0.000 1.139 933 W CA -0.733 56.546 57.345 -0.110 0.000 1.188 933 W CB 1.958 31.322 29.460 -0.161 0.000 1.426 933 W HN 0.264 nan 8.180 nan 0.000 0.531 934 T N 1.855 116.479 114.554 0.117 0.000 2.893 934 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 934 T C -0.489 174.237 174.700 0.044 0.000 1.027 934 T CA -0.727 61.401 62.100 0.047 0.000 0.988 934 T CB 0.878 69.752 68.868 0.009 0.000 1.043 934 T HN 0.382 nan 8.240 nan 0.000 0.461 935 R N 1.614 122.124 120.500 0.017 0.000 2.573 935 R HA 0.759 5.099 4.340 -0.000 0.000 0.272 935 R C 0.019 176.332 176.300 0.022 0.000 1.009 935 R CA -0.615 55.494 56.100 0.014 0.000 1.059 935 R CB 1.650 31.948 30.300 -0.004 0.000 1.112 935 R HN 0.868 nan 8.270 nan 0.000 0.517 936 T N 0.000 114.573 114.554 0.032 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.119 62.100 0.032 0.000 1.349 936 T CB 0.000 68.887 68.868 0.032 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658