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 3fsy_1_D DATA FIRST_RESID 3 DATA SEQUENCE TVTGAAGIGL ATLAADGSVL DTWFPAPELT ESGTSATSRL AVSDVPVELA DATA SEQUENCE ALIGRDDDRR TETIAVRTVI GSLDDVAADP YDAYLRLHLL SHRLVAPHGL DATA SEQUENCE NAGGLFGVLT NVVWTNHGPC AIDGFEAVRA RLRRRGPVTV YGVDKFPRMV DATA SEQUENCE DYVVPTGVRI ADADRVRLGA HLAPGTTVMH EGFVNYNAGT LGASMVEGRI DATA SEQUENCE SAGVVVGDGS DVGGGASIMG TLSGGGTHVI SIGKRCLLGA NSGLGISLGD DATA SEQUENCE DCVVEAGLYV TAGTRVTMPD SNSVKARELS GSSNLLFRRN SVSGAVEVLA DATA SEQUENCE RDGQGIAL 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.700 174.700 0.000 0.000 1.109 3 T CA 0.000 62.101 62.100 0.002 0.000 1.349 3 T CB 0.000 68.869 68.868 0.001 0.000 0.612 4 V N 1.382 121.297 119.914 0.001 0.000 6.356 4 V HA -0.181 3.939 4.120 -0.000 0.000 0.325 4 V C 0.491 176.583 176.094 -0.004 0.000 0.504 4 V CA 1.407 63.706 62.300 -0.001 0.000 0.668 4 V CB -1.410 30.412 31.823 -0.002 0.000 0.306 4 V HN 0.870 nan 8.190 nan 0.000 0.878 5 T N 1.496 116.048 114.554 -0.004 0.000 2.829 5 T HA 0.695 5.045 4.350 -0.000 0.000 0.282 5 T C 0.619 175.312 174.700 -0.012 0.000 0.990 5 T CA 0.375 62.470 62.100 -0.008 0.000 1.028 5 T CB 1.783 70.648 68.868 -0.006 0.000 0.951 5 T HN 0.843 nan 8.240 nan 0.000 0.460 6 G N 0.935 109.723 108.800 -0.019 0.000 2.795 6 G HA2 0.862 4.822 3.960 -0.000 0.000 0.267 6 G HA3 0.862 4.822 3.960 -0.000 0.000 0.267 6 G C -1.155 173.720 174.900 -0.042 0.000 1.362 6 G CA -0.579 44.504 45.100 -0.027 0.000 1.048 6 G HN 0.988 nan 8.290 nan 0.000 0.547 7 A N -2.424 120.360 122.820 -0.060 0.000 2.599 7 A HA 0.984 5.304 4.320 -0.000 0.000 0.290 7 A C -0.801 176.715 177.584 -0.114 0.000 1.101 7 A CA 0.059 52.042 52.037 -0.089 0.000 0.674 7 A CB 1.255 20.191 19.000 -0.107 0.000 1.277 7 A HN 2.350 nan 8.150 nan 0.000 0.419 8 A N -0.895 121.835 122.820 -0.149 0.000 2.604 8 A HA 0.947 5.267 4.320 -0.000 0.000 0.295 8 A C -0.352 177.106 177.584 -0.209 0.000 1.067 8 A CA -0.006 51.937 52.037 -0.157 0.000 0.683 8 A CB 1.340 20.283 19.000 -0.095 0.000 1.281 8 A HN 2.598 nan 8.150 nan 0.000 0.407 9 G N -0.008 108.676 108.800 -0.194 0.000 2.702 9 G HA2 0.550 4.510 3.960 -0.000 0.000 0.296 9 G HA3 0.550 4.510 3.960 -0.000 0.000 0.296 9 G C -1.350 173.628 174.900 0.130 0.000 1.463 9 G CA -0.564 44.462 45.100 -0.123 0.000 0.890 9 G HN 0.728 nan 8.290 nan 0.000 0.534 10 I N 1.262 121.898 120.570 0.110 0.000 2.395 10 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 10 I C 0.963 177.092 176.117 0.021 0.000 1.023 10 I CA -0.030 61.307 61.300 0.062 0.000 1.350 10 I CB 1.613 39.590 38.000 -0.038 0.000 1.409 10 I HN 0.608 nan 8.210 nan 0.000 0.507 11 G N 5.745 114.442 108.800 -0.171 0.000 2.680 11 G HA2 0.660 4.620 3.960 -0.000 0.000 0.290 11 G HA3 0.660 4.620 3.960 -0.000 0.000 0.290 11 G C -1.940 172.740 174.900 -0.366 0.000 1.355 11 G CA -0.556 44.174 45.100 -0.616 0.000 0.903 11 G HN 0.382 nan 8.290 nan 0.000 0.474 12 L N 1.182 122.219 121.223 -0.310 0.000 2.316 12 L HA 0.807 5.147 4.340 -0.000 0.000 0.280 12 L C 0.286 177.125 176.870 -0.051 0.000 1.006 12 L CA -0.505 54.284 54.840 -0.085 0.000 0.836 12 L CB 1.053 43.166 42.059 0.090 0.000 1.221 12 L HN 0.786 nan 8.230 nan 0.000 0.418 13 A N 3.003 125.807 122.820 -0.028 0.000 2.325 13 A HA 0.832 5.152 4.320 -0.000 0.000 0.333 13 A C -0.333 177.263 177.584 0.019 0.000 1.155 13 A CA -0.448 51.592 52.037 0.005 0.000 0.814 13 A CB 0.896 19.998 19.000 0.170 0.000 1.206 13 A HN 0.631 nan 8.150 nan 0.000 0.482 14 T N 2.748 117.294 114.554 -0.012 0.000 2.779 14 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 14 T C -0.314 174.360 174.700 -0.043 0.000 0.987 14 T CA -0.109 61.985 62.100 -0.011 0.000 0.966 14 T CB 0.375 69.241 68.868 -0.004 0.000 0.933 14 T HN 0.443 nan 8.240 nan 0.000 0.442 15 L N 2.265 123.475 121.223 -0.022 0.000 2.331 15 L HA 0.774 5.114 4.340 -0.000 0.000 0.275 15 L C 0.775 177.623 176.870 -0.037 0.000 1.022 15 L CA -1.248 53.572 54.840 -0.034 0.000 0.812 15 L CB 1.323 43.381 42.059 -0.003 0.000 1.257 15 L HN 0.663 nan 8.230 nan 0.000 0.435 16 A N 1.489 124.279 122.820 -0.049 0.000 2.267 16 A HA 0.575 4.895 4.320 -0.000 0.000 0.271 16 A C 1.221 178.791 177.584 -0.023 0.000 1.131 16 A CA 0.443 52.455 52.037 -0.041 0.000 0.818 16 A CB 0.356 19.324 19.000 -0.053 0.000 1.118 16 A HN 0.921 nan 8.150 nan 0.000 0.501 17 A N -0.198 122.612 122.820 -0.016 0.000 1.978 17 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 17 A C 1.324 178.902 177.584 -0.009 0.000 1.170 17 A CA 2.175 54.205 52.037 -0.010 0.000 0.636 17 A CB -0.706 18.289 19.000 -0.008 0.000 0.810 17 A HN 0.873 nan 8.150 nan 0.000 0.448 18 D N -2.678 117.714 120.400 -0.012 0.000 2.328 18 D HA 0.309 4.949 4.640 -0.000 0.000 0.226 18 D C 1.124 177.419 176.300 -0.009 0.000 1.066 18 D CA 0.908 54.902 54.000 -0.009 0.000 0.861 18 D CB -0.410 40.383 40.800 -0.010 0.000 0.912 18 D HN 0.754 nan 8.370 nan 0.000 0.521 19 G N 0.222 109.016 108.800 -0.011 0.000 2.194 19 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 19 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 19 G C 0.418 175.305 174.900 -0.021 0.000 0.987 19 G CA 0.240 45.337 45.100 -0.004 0.000 0.635 19 G HN 0.811 nan 8.290 nan 0.000 0.520 20 S N -0.153 115.524 115.700 -0.038 0.000 2.568 20 S HA 0.528 4.998 4.470 -0.000 0.000 0.282 20 S C 0.446 174.984 174.600 -0.103 0.000 1.338 20 S CA -0.045 58.116 58.200 -0.065 0.000 1.045 20 S CB 2.115 65.278 63.200 -0.061 0.000 0.873 20 S HN 1.105 nan 8.310 nan 0.000 0.516 21 V N 4.617 124.432 119.914 -0.165 0.000 2.455 21 V HA 0.132 4.252 4.120 -0.000 0.000 0.273 21 V C 1.171 177.158 176.094 -0.178 0.000 1.045 21 V CA -0.260 61.898 62.300 -0.237 0.000 0.976 21 V CB 0.217 31.739 31.823 -0.501 0.000 0.993 21 V HN 0.931 nan 8.190 nan 0.000 0.475 22 L N 3.032 124.155 121.223 -0.168 0.000 2.102 22 L HA 0.193 4.533 4.340 -0.000 0.000 0.202 22 L C 0.783 177.565 176.870 -0.146 0.000 1.076 22 L CA 0.945 55.679 54.840 -0.177 0.000 0.761 22 L CB 0.045 41.974 42.059 -0.216 0.000 0.921 22 L HN 0.896 nan 8.230 nan 0.000 0.444 23 D N -2.405 117.846 120.400 -0.249 0.000 2.665 23 D HA 0.283 4.923 4.640 -0.000 0.000 0.287 23 D C -0.971 174.967 176.300 -0.602 0.000 1.266 23 D CA -0.365 53.261 54.000 -0.623 0.000 0.830 23 D CB 2.002 42.815 40.800 0.022 0.000 1.356 23 D HN -0.253 nan 8.370 nan 0.000 0.437 24 T N 0.197 114.258 114.554 -0.822 0.000 3.032 24 T HA 0.401 4.751 4.350 -0.000 0.000 0.312 24 T C -1.805 172.884 174.700 -0.019 0.000 1.078 24 T CA -0.549 61.352 62.100 -0.333 0.000 1.028 24 T CB 1.144 69.795 68.868 -0.363 0.000 1.091 24 T HN 0.478 nan 8.240 nan 0.000 0.457 25 W N 5.180 126.395 121.300 -0.141 0.000 2.376 25 W HA 0.712 5.371 4.660 -0.000 0.000 0.312 25 W C -2.069 174.289 176.519 -0.269 0.000 1.060 25 W CA -2.064 55.380 57.345 0.165 0.000 1.221 25 W CB 0.317 29.881 29.460 0.173 0.000 1.281 25 W HN 0.534 nan 8.180 nan 0.000 0.456 26 F N 9.126 128.827 119.950 -0.414 0.000 2.334 26 F HA 0.304 4.832 4.527 0.000 0.000 0.367 26 F C -1.336 174.139 175.800 -0.542 0.000 1.115 26 F CA -2.210 55.441 58.000 -0.582 0.000 1.116 26 F CB 1.322 39.962 39.000 -0.600 0.000 1.230 26 F HN 0.237 nan 8.300 nan 0.000 0.484 27 P HA -0.080 nan 4.420 nan 0.000 0.219 27 P C 0.121 177.397 177.300 -0.040 0.000 1.150 27 P CA 0.969 63.837 63.100 -0.386 0.000 0.814 27 P CB 0.450 31.856 31.700 -0.489 0.000 0.787 28 A N -1.000 121.757 122.820 -0.105 0.000 3.370 28 A HA 0.393 4.713 4.320 -0.000 0.000 0.295 28 A C -2.544 174.949 177.584 -0.151 0.000 1.030 28 A CA -1.027 50.955 52.037 -0.092 0.000 0.883 28 A CB -0.088 18.884 19.000 -0.048 0.000 1.191 28 A HN -0.003 nan 8.150 nan 0.000 0.507 29 P HA 0.378 nan 4.420 nan 0.000 0.272 29 P C -0.526 176.653 177.300 -0.202 0.000 1.230 29 P CA 0.302 63.236 63.100 -0.276 0.000 0.788 29 P CB 0.920 32.404 31.700 -0.361 0.000 0.949 30 E N 0.759 120.862 120.200 -0.162 0.000 2.413 30 E HA 0.479 4.829 4.350 -0.000 0.000 0.277 30 E C -1.023 175.525 176.600 -0.088 0.000 0.958 30 E CA -1.060 55.279 56.400 -0.102 0.000 0.779 30 E CB 0.962 30.618 29.700 -0.074 0.000 1.278 30 E HN 0.199 nan 8.360 nan 0.000 0.456 31 L N 1.416 122.605 121.223 -0.056 0.000 2.418 31 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 31 L C 0.353 177.199 176.870 -0.040 0.000 1.143 31 L CA -0.127 54.687 54.840 -0.044 0.000 0.809 31 L CB 1.246 43.291 42.059 -0.023 0.000 1.124 31 L HN 0.905 nan 8.230 nan 0.000 0.456 32 T N -2.074 112.458 114.554 -0.037 0.000 2.787 32 T HA 0.350 4.700 4.350 -0.000 0.000 0.297 32 T C -0.608 174.077 174.700 -0.024 0.000 1.221 32 T CA -1.089 60.992 62.100 -0.032 0.000 1.006 32 T CB 1.395 70.240 68.868 -0.039 0.000 1.328 32 T HN 0.501 nan 8.240 nan 0.000 0.509 33 E N 1.653 121.842 120.200 -0.020 0.000 2.415 33 E HA 0.340 4.690 4.350 -0.000 0.000 0.262 33 E C 0.602 177.193 176.600 -0.016 0.000 1.038 33 E CA -0.262 56.128 56.400 -0.015 0.000 0.921 33 E CB 0.522 30.214 29.700 -0.013 0.000 0.950 33 E HN 0.797 nan 8.360 nan 0.000 0.438 34 S N 1.442 117.135 115.700 -0.012 0.000 2.593 34 S HA 0.137 4.607 4.470 -0.000 0.000 0.303 34 S C 0.375 174.968 174.600 -0.012 0.000 1.267 34 S CA 0.322 58.515 58.200 -0.011 0.000 1.047 34 S CB 0.591 63.787 63.200 -0.007 0.000 0.777 34 S HN 0.673 nan 8.310 nan 0.000 0.498 35 G N 1.394 110.187 108.800 -0.012 0.000 2.694 35 G HA2 0.567 4.527 3.960 -0.000 0.000 0.246 35 G HA3 0.567 4.527 3.960 -0.000 0.000 0.246 35 G C -1.320 173.574 174.900 -0.010 0.000 1.205 35 G CA -0.438 44.654 45.100 -0.013 0.000 0.891 35 G HN 0.832 nan 8.290 nan 0.000 0.515 36 T N 1.471 116.018 114.554 -0.012 0.000 2.815 36 T HA 0.579 4.929 4.350 -0.000 0.000 0.289 36 T C -0.017 174.677 174.700 -0.009 0.000 1.000 36 T CA -0.137 61.958 62.100 -0.008 0.000 0.958 36 T CB 1.263 70.127 68.868 -0.007 0.000 0.944 36 T HN 0.463 nan 8.240 nan 0.000 0.442 37 S N 2.802 118.500 115.700 -0.003 0.000 2.537 37 S HA 0.578 5.048 4.470 -0.000 0.000 0.286 37 S C 0.254 174.855 174.600 0.003 0.000 1.299 37 S CA -0.466 57.734 58.200 0.000 0.000 1.067 37 S CB 0.222 63.428 63.200 0.011 0.000 0.864 37 S HN 1.016 nan 8.310 nan 0.000 0.494 38 A N 3.098 125.917 122.820 -0.002 0.000 2.586 38 A HA 0.605 4.925 4.320 -0.000 0.000 0.296 38 A C -0.666 176.897 177.584 -0.034 0.000 1.040 38 A CA -0.834 51.198 52.037 -0.008 0.000 0.701 38 A CB 1.017 20.007 19.000 -0.016 0.000 1.277 38 A HN 0.543 nan 8.150 nan 0.000 0.413 39 T N 2.110 116.624 114.554 -0.066 0.000 2.807 39 T HA 0.744 5.094 4.350 -0.000 0.000 0.279 39 T C -0.026 174.566 174.700 -0.180 0.000 0.993 39 T CA 0.140 62.128 62.100 -0.188 0.000 0.970 39 T CB 1.254 69.846 68.868 -0.460 0.000 0.950 39 T HN 1.422 nan 8.240 nan 0.000 0.441 40 S N 2.947 118.547 115.700 -0.166 0.000 2.568 40 S HA 0.651 5.121 4.470 -0.000 0.000 0.293 40 S C -0.583 173.938 174.600 -0.132 0.000 1.089 40 S CA -1.322 56.805 58.200 -0.121 0.000 0.945 40 S CB 1.430 64.587 63.200 -0.073 0.000 1.077 40 S HN 0.485 nan 8.310 nan 0.000 0.485 41 R N 1.460 121.902 120.500 -0.097 0.000 2.442 41 R HA 0.296 4.636 4.340 -0.000 0.000 0.291 41 R C -0.347 175.917 176.300 -0.059 0.000 1.069 41 R CA -0.231 55.823 56.100 -0.077 0.000 1.022 41 R CB 0.063 30.335 30.300 -0.047 0.000 0.976 41 R HN 0.650 nan 8.270 nan 0.000 0.443 42 L N 2.355 123.543 121.223 -0.057 0.000 2.380 42 L HA 0.181 4.521 4.340 -0.000 0.000 0.273 42 L C 0.986 177.837 176.870 -0.033 0.000 1.138 42 L CA -0.302 54.511 54.840 -0.045 0.000 0.832 42 L CB 0.897 42.929 42.059 -0.045 0.000 1.124 42 L HN 0.651 nan 8.230 nan 0.000 0.454 43 A N 3.197 126.000 122.820 -0.027 0.000 2.406 43 A HA 0.212 4.532 4.320 -0.000 0.000 0.243 43 A C 1.288 178.861 177.584 -0.018 0.000 1.082 43 A CA -0.466 51.558 52.037 -0.021 0.000 0.786 43 A CB 0.571 19.561 19.000 -0.018 0.000 1.029 43 A HN 0.614 nan 8.150 nan 0.000 0.495 44 V N 1.743 121.648 119.914 -0.014 0.000 2.278 44 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 44 V C 2.846 178.933 176.094 -0.012 0.000 1.062 44 V CA 2.993 65.286 62.300 -0.011 0.000 1.038 44 V CB -1.051 30.767 31.823 -0.008 0.000 0.646 44 V HN 1.152 nan 8.190 nan 0.000 0.447 45 S N -0.701 114.992 115.700 -0.012 0.000 2.474 45 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 45 S C 1.317 175.908 174.600 -0.015 0.000 0.997 45 S CA 1.404 59.597 58.200 -0.011 0.000 0.949 45 S CB -0.322 62.872 63.200 -0.011 0.000 0.766 45 S HN 0.644 nan 8.310 nan 0.000 0.517 46 D N 0.984 121.373 120.400 -0.018 0.000 2.349 46 D HA 0.240 4.880 4.640 -0.000 0.000 0.214 46 D C -0.227 176.057 176.300 -0.027 0.000 1.063 46 D CA 0.064 54.051 54.000 -0.022 0.000 0.847 46 D CB 0.614 41.399 40.800 -0.025 0.000 0.933 46 D HN 0.265 nan 8.370 nan 0.000 0.513 47 V N 3.000 122.900 119.914 -0.024 0.000 2.488 47 V HA 0.174 4.294 4.120 -0.000 0.000 0.277 47 V C -1.916 174.163 176.094 -0.025 0.000 1.046 47 V CA -1.407 60.876 62.300 -0.028 0.000 0.986 47 V CB 1.014 32.825 31.823 -0.021 0.000 0.989 47 V HN -0.090 nan 8.190 nan 0.000 0.475 48 P HA 0.046 nan 4.420 nan 0.000 0.267 48 P C 1.092 178.384 177.300 -0.012 0.000 1.200 48 P CA -0.172 62.913 63.100 -0.026 0.000 0.772 48 P CB 0.559 32.234 31.700 -0.042 0.000 0.855 49 V N 0.769 120.680 119.914 -0.004 0.000 2.380 49 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 49 V C 1.517 177.621 176.094 0.016 0.000 1.063 49 V CA 1.899 64.203 62.300 0.006 0.000 1.055 49 V CB -1.556 30.272 31.823 0.009 0.000 0.657 49 V HN 0.399 nan 8.190 nan 0.000 0.455 50 E N 1.161 121.374 120.200 0.021 0.000 2.150 50 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 50 E C 2.085 178.720 176.600 0.059 0.000 0.985 50 E CA 1.387 57.814 56.400 0.046 0.000 0.814 50 E CB -0.455 29.279 29.700 0.055 0.000 0.752 50 E HN 0.602 nan 8.360 nan 0.000 0.466 51 L N -0.091 121.148 121.223 0.025 0.000 2.249 51 L HA 0.138 4.478 4.340 -0.000 0.000 0.207 51 L C 2.320 179.208 176.870 0.030 0.000 1.090 51 L CA 0.599 55.457 54.840 0.030 0.000 0.802 51 L CB -0.413 41.627 42.059 -0.031 0.000 0.947 51 L HN 0.148 nan 8.230 nan 0.000 0.453 52 A N 0.686 123.516 122.820 0.017 0.000 1.978 52 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 52 A C 2.453 180.051 177.584 0.023 0.000 1.170 52 A CA 1.756 53.801 52.037 0.014 0.000 0.636 52 A CB -0.514 18.491 19.000 0.008 0.000 0.810 52 A HN 0.386 nan 8.150 nan 0.000 0.448 53 A N -0.786 122.053 122.820 0.032 0.000 2.121 53 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 53 A C 1.764 179.373 177.584 0.042 0.000 1.154 53 A CA 1.127 53.184 52.037 0.034 0.000 0.679 53 A CB -0.393 18.630 19.000 0.038 0.000 0.795 53 A HN 0.488 nan 8.150 nan 0.000 0.458 54 L N -0.669 120.587 121.223 0.055 0.000 2.640 54 L HA 0.331 4.671 4.340 -0.000 0.000 0.230 54 L C -0.030 176.872 176.870 0.053 0.000 1.123 54 L CA -0.215 54.665 54.840 0.066 0.000 0.900 54 L CB -0.030 42.097 42.059 0.114 0.000 1.146 54 L HN 0.203 nan 8.230 nan 0.000 0.484 55 I N 0.620 121.213 120.570 0.038 0.000 2.395 55 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 55 I C 0.732 176.863 176.117 0.023 0.000 1.023 55 I CA 0.023 61.340 61.300 0.028 0.000 1.350 55 I CB 1.196 39.206 38.000 0.017 0.000 1.409 55 I HN 0.085 nan 8.210 nan 0.000 0.507 56 G N 5.748 114.562 108.800 0.022 0.000 2.341 56 G HA2 0.458 4.418 3.960 -0.000 0.000 0.299 56 G HA3 0.458 4.418 3.960 -0.000 0.000 0.299 56 G C -1.551 173.358 174.900 0.016 0.000 1.274 56 G CA -0.940 44.170 45.100 0.017 0.000 0.853 56 G HN 0.476 nan 8.290 nan 0.000 0.493 57 R N 0.220 120.727 120.500 0.012 0.000 2.561 57 R HA 0.477 4.817 4.340 -0.000 0.000 0.297 57 R C -1.728 174.576 176.300 0.008 0.000 0.969 57 R CA -0.851 55.255 56.100 0.009 0.000 0.879 57 R CB 2.536 32.839 30.300 0.005 0.000 1.178 57 R HN 0.429 nan 8.270 nan 0.000 0.445 58 D N 2.040 122.445 120.400 0.007 0.000 2.427 58 D HA 0.087 4.727 4.640 -0.000 0.000 0.226 58 D C -0.135 176.161 176.300 -0.006 0.000 1.076 58 D CA -0.267 53.736 54.000 0.005 0.000 0.849 58 D CB 1.207 42.015 40.800 0.013 0.000 1.052 58 D HN 0.434 nan 8.370 nan 0.000 0.515 59 D N 2.419 122.812 120.400 -0.012 0.000 2.178 59 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 59 D C 1.045 177.326 176.300 -0.032 0.000 0.974 59 D CA 0.797 54.785 54.000 -0.019 0.000 0.841 59 D CB 0.411 41.199 40.800 -0.019 0.000 0.953 59 D HN 0.518 nan 8.370 nan 0.000 0.478 60 D N 0.623 120.998 120.400 -0.042 0.000 2.117 60 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 60 D C 1.940 178.203 176.300 -0.062 0.000 0.982 60 D CA 0.681 54.641 54.000 -0.067 0.000 0.828 60 D CB -0.119 40.621 40.800 -0.099 0.000 0.967 60 D HN 0.220 nan 8.370 nan 0.000 0.464 61 R N 0.070 120.549 120.500 -0.036 0.000 2.275 61 R HA 0.120 4.460 4.340 -0.000 0.000 0.199 61 R C 0.061 176.358 176.300 -0.005 0.000 0.989 61 R CA -0.102 55.993 56.100 -0.009 0.000 1.016 61 R CB 0.350 30.663 30.300 0.022 0.000 0.918 61 R HN -0.050 nan 8.270 nan 0.000 0.473 62 R N 0.978 121.470 120.500 -0.013 0.000 3.336 62 R HA -0.120 4.220 4.340 -0.000 0.000 0.260 62 R C -0.442 175.855 176.300 -0.006 0.000 1.032 62 R CA 1.373 57.466 56.100 -0.011 0.000 0.693 62 R CB -2.822 27.470 30.300 -0.013 0.000 1.134 62 R HN 0.467 nan 8.270 nan 0.000 0.433 63 T N -2.660 111.893 114.554 -0.002 0.000 2.907 63 T HA 0.728 5.078 4.350 -0.000 0.000 0.290 63 T C -0.051 174.651 174.700 0.003 0.000 1.066 63 T CA -0.987 61.111 62.100 -0.002 0.000 1.012 63 T CB 3.077 71.945 68.868 -0.001 0.000 1.184 63 T HN 0.290 nan 8.240 nan 0.000 0.522 64 E N -0.109 120.094 120.200 0.004 0.000 2.317 64 E HA 0.594 4.944 4.350 -0.000 0.000 0.270 64 E C -1.464 175.145 176.600 0.016 0.000 0.885 64 E CA -1.044 55.363 56.400 0.011 0.000 0.760 64 E CB 2.018 31.725 29.700 0.011 0.000 1.227 64 E HN 0.501 nan 8.360 nan 0.000 0.434 65 T N 3.057 117.624 114.554 0.022 0.000 2.779 65 T HA 0.567 4.917 4.350 -0.000 0.000 0.280 65 T C -0.118 174.597 174.700 0.025 0.000 0.987 65 T CA -0.609 61.509 62.100 0.029 0.000 0.966 65 T CB 0.329 69.220 68.868 0.038 0.000 0.933 65 T HN 0.513 nan 8.240 nan 0.000 0.442 66 I N -0.300 120.284 120.570 0.024 0.000 2.828 66 I HA 0.935 5.105 4.170 -0.000 0.000 0.302 66 I C -0.497 175.614 176.117 -0.010 0.000 1.101 66 I CA -1.699 59.608 61.300 0.011 0.000 1.031 66 I CB 1.993 40.004 38.000 0.018 0.000 1.231 66 I HN 0.597 nan 8.210 nan 0.000 0.427 67 A N 4.462 127.266 122.820 -0.026 0.000 2.301 67 A HA 0.773 5.093 4.320 -0.000 0.000 0.298 67 A C -0.135 177.404 177.584 -0.076 0.000 1.185 67 A CA -0.395 51.609 52.037 -0.055 0.000 0.830 67 A CB 0.768 19.739 19.000 -0.047 0.000 1.112 67 A HN 1.140 nan 8.150 nan 0.000 0.508 68 V N 0.406 120.255 119.914 -0.110 0.000 3.074 68 V HA 0.851 4.971 4.120 -0.000 0.000 0.314 68 V C -0.365 175.675 176.094 -0.092 0.000 1.117 68 V CA -1.169 61.047 62.300 -0.141 0.000 1.014 68 V CB 1.836 33.497 31.823 -0.270 0.000 1.057 68 V HN 0.989 nan 8.190 nan 0.000 0.438 69 R N 0.792 121.240 120.500 -0.087 0.000 2.439 69 R HA 0.664 5.004 4.340 -0.000 0.000 0.310 69 R C -0.986 175.293 176.300 -0.036 0.000 0.955 69 R CA -0.179 55.906 56.100 -0.026 0.000 0.853 69 R CB 1.910 32.187 30.300 -0.038 0.000 1.171 69 R HN 0.978 nan 8.270 nan 0.000 0.449 70 T N 3.690 118.270 114.554 0.043 0.000 2.767 70 T HA 0.376 4.726 4.350 -0.000 0.000 0.284 70 T C -0.737 173.929 174.700 -0.057 0.000 0.973 70 T CA -0.426 61.677 62.100 0.005 0.000 0.996 70 T CB 1.467 70.409 68.868 0.122 0.000 0.927 70 T HN 0.245 nan 8.240 nan 0.000 0.456 71 V N 4.854 124.739 119.914 -0.049 0.000 2.495 71 V HA 0.502 4.622 4.120 -0.000 0.000 0.298 71 V C -0.196 175.872 176.094 -0.043 0.000 1.031 71 V CA -0.869 61.397 62.300 -0.057 0.000 0.871 71 V CB 1.753 33.550 31.823 -0.043 0.000 0.988 71 V HN 0.801 nan 8.190 nan 0.000 0.432 72 I N 3.372 123.909 120.570 -0.055 0.000 2.321 72 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 72 I C 1.514 177.615 176.117 -0.027 0.000 0.998 72 I CA -0.024 61.255 61.300 -0.035 0.000 1.227 72 I CB 1.756 39.730 38.000 -0.044 0.000 1.368 72 I HN 0.770 nan 8.210 nan 0.000 0.466 73 G N 3.693 112.484 108.800 -0.014 0.000 2.403 73 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 73 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 73 G C 0.596 175.491 174.900 -0.009 0.000 1.154 73 G CA 0.460 45.553 45.100 -0.012 0.000 0.784 73 G HN 0.509 nan 8.290 nan 0.000 0.538 74 S N -1.357 114.340 115.700 -0.005 0.000 2.603 74 S HA 0.390 4.860 4.470 -0.000 0.000 0.274 74 S C 0.779 175.380 174.600 0.001 0.000 1.168 74 S CA -0.751 57.447 58.200 -0.002 0.000 0.963 74 S CB 1.077 64.278 63.200 0.003 0.000 1.078 74 S HN 0.054 nan 8.310 nan 0.000 0.477 75 L N 2.760 123.983 121.223 -0.001 0.000 2.265 75 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 75 L C 1.380 178.259 176.870 0.016 0.000 1.117 75 L CA 0.927 55.770 54.840 0.004 0.000 0.782 75 L CB -0.224 41.837 42.059 0.002 0.000 0.914 75 L HN 0.633 nan 8.230 nan 0.000 0.441 76 D N -0.540 119.869 120.400 0.016 0.000 2.277 76 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 76 D C 0.503 176.818 176.300 0.025 0.000 0.962 76 D CA 0.622 54.635 54.000 0.023 0.000 0.865 76 D CB -0.089 40.722 40.800 0.018 0.000 0.939 76 D HN 0.252 nan 8.370 nan 0.000 0.510 77 D N 0.040 120.453 120.400 0.021 0.000 2.357 77 D HA 0.033 4.673 4.640 -0.000 0.000 0.242 77 D C 0.191 176.509 176.300 0.031 0.000 1.153 77 D CA -0.275 53.739 54.000 0.024 0.000 0.918 77 D CB 1.478 42.290 40.800 0.019 0.000 1.181 77 D HN -0.207 nan 8.370 nan 0.000 0.435 78 V N 0.992 120.927 119.914 0.035 0.000 2.881 78 V HA 0.372 4.492 4.120 -0.000 0.000 0.303 78 V C 0.129 176.245 176.094 0.036 0.000 1.070 78 V CA -0.559 61.766 62.300 0.042 0.000 1.074 78 V CB 1.159 33.011 31.823 0.047 0.000 1.012 78 V HN 0.684 nan 8.190 nan 0.000 0.482 79 A N 4.805 127.645 122.820 0.034 0.000 2.531 79 A HA 0.509 4.829 4.320 -0.000 0.000 0.236 79 A C 1.095 178.700 177.584 0.035 0.000 1.062 79 A CA 0.524 52.579 52.037 0.030 0.000 0.760 79 A CB 0.405 19.413 19.000 0.013 0.000 0.995 79 A HN 1.675 nan 8.150 nan 0.000 0.501 80 A N 1.644 124.491 122.820 0.045 0.000 2.197 80 A HA 0.460 4.780 4.320 -0.000 0.000 0.210 80 A C 0.386 178.003 177.584 0.056 0.000 1.180 80 A CA 1.174 53.241 52.037 0.049 0.000 0.846 80 A CB -0.078 18.954 19.000 0.053 0.000 0.884 80 A HN 1.064 nan 8.150 nan 0.000 0.487 81 D N -4.425 116.015 120.400 0.066 0.000 2.710 81 D HA 0.269 4.909 4.640 -0.000 0.000 0.276 81 D C -2.960 173.369 176.300 0.049 0.000 1.267 81 D CA -1.054 52.984 54.000 0.062 0.000 0.772 81 D CB 0.211 41.086 40.800 0.124 0.000 1.299 81 D HN -0.217 nan 8.370 nan 0.000 0.421 82 P HA -0.044 nan 4.420 nan 0.000 0.218 82 P C 0.879 178.272 177.300 0.154 0.000 1.149 82 P CA 1.186 64.290 63.100 0.006 0.000 0.817 82 P CB -0.095 31.544 31.700 -0.102 0.000 0.785 83 Y N -0.092 120.322 120.300 0.191 0.000 2.128 83 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 83 Y C 2.439 178.507 175.900 0.279 0.000 1.154 83 Y CA 1.498 59.752 58.100 0.257 0.000 1.149 83 Y CB -1.476 37.095 38.460 0.186 0.000 0.976 83 Y HN 0.024 nan 8.280 nan 0.000 0.505 84 D N 0.223 120.820 120.400 0.328 0.000 2.092 84 D HA -0.223 4.417 4.640 -0.000 0.000 0.193 84 D C 2.280 178.647 176.300 0.111 0.000 0.994 84 D CA 1.601 55.695 54.000 0.157 0.000 0.828 84 D CB -0.282 40.586 40.800 0.113 0.000 0.963 84 D HN 0.292 nan 8.370 nan 0.000 0.450 85 A N -0.356 122.519 122.820 0.090 0.000 1.892 85 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 85 A C 2.359 179.931 177.584 -0.019 0.000 1.188 85 A CA 1.617 53.641 52.037 -0.023 0.000 0.631 85 A CB -1.381 17.535 19.000 -0.139 0.000 0.822 85 A HN 0.414 nan 8.150 nan 0.000 0.447 86 Y N -1.055 119.314 120.300 0.115 0.000 2.181 86 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 86 Y C 2.271 178.375 175.900 0.340 0.000 1.146 86 Y CA 1.546 59.798 58.100 0.254 0.000 1.164 86 Y CB -0.309 38.359 38.460 0.347 0.000 0.982 86 Y HN 0.349 nan 8.280 nan 0.000 0.515 87 L N 0.442 121.819 121.223 0.256 0.000 2.083 87 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 87 L C 2.174 179.005 176.870 -0.065 0.000 1.083 87 L CA 1.666 56.342 54.840 -0.275 0.000 0.752 87 L CB -0.527 41.178 42.059 -0.590 0.000 0.899 87 L HN 0.054 nan 8.230 nan 0.000 0.433 88 R N -0.885 119.613 120.500 -0.002 0.000 2.081 88 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 88 R C 2.251 178.584 176.300 0.056 0.000 1.131 88 R CA 1.737 57.844 56.100 0.012 0.000 0.960 88 R CB -0.546 29.758 30.300 0.007 0.000 0.856 88 R HN 0.372 nan 8.270 nan 0.000 0.436 89 L N -0.690 120.569 121.223 0.061 0.000 2.083 89 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 89 L C 2.208 179.142 176.870 0.105 0.000 1.083 89 L CA 1.400 56.268 54.840 0.047 0.000 0.752 89 L CB -0.590 41.424 42.059 -0.075 0.000 0.899 89 L HN 0.228 nan 8.230 nan 0.000 0.433 90 H N -0.114 119.020 119.070 0.106 0.000 2.352 90 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 90 H C 2.271 177.702 175.328 0.172 0.000 1.097 90 H CA 1.588 57.760 56.048 0.207 0.000 1.311 90 H CB -0.234 29.656 29.762 0.214 0.000 1.377 90 H HN 0.168 nan 8.280 nan 0.000 0.504 91 L N -0.415 120.910 121.223 0.170 0.000 2.046 91 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 91 L C 2.192 179.149 176.870 0.145 0.000 1.077 91 L CA 0.915 55.816 54.840 0.102 0.000 0.747 91 L CB -0.436 41.639 42.059 0.027 0.000 0.896 91 L HN 0.239 nan 8.230 nan 0.000 0.432 92 L N -0.979 120.323 121.223 0.132 0.000 1.994 92 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 92 L C 2.698 179.652 176.870 0.139 0.000 1.071 92 L CA 1.411 56.342 54.840 0.151 0.000 0.745 92 L CB -0.499 41.623 42.059 0.104 0.000 0.892 92 L HN 0.165 nan 8.230 nan 0.000 0.431 93 S N -1.832 113.924 115.700 0.094 0.000 2.402 93 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 93 S C 1.709 176.290 174.600 -0.032 0.000 1.021 93 S CA 0.697 58.901 58.200 0.007 0.000 0.974 93 S CB -0.441 62.742 63.200 -0.028 0.000 0.800 93 S HN 0.440 nan 8.310 nan 0.000 0.484 94 H N 0.938 120.017 119.070 0.015 0.000 2.563 94 H HA 0.154 4.710 4.556 -0.000 0.000 0.272 94 H C 0.430 175.741 175.328 -0.028 0.000 1.005 94 H CA 0.496 56.553 56.048 0.016 0.000 1.171 94 H CB 0.119 29.921 29.762 0.067 0.000 1.351 94 H HN 0.296 nan 8.280 nan 0.000 0.602 95 R N -0.737 119.781 120.500 0.030 0.000 3.875 95 R HA -0.189 4.151 4.340 -0.000 0.000 0.321 95 R C 1.022 177.395 176.300 0.123 0.000 1.196 95 R CA 0.333 56.421 56.100 -0.020 0.000 0.868 95 R CB -1.983 28.192 30.300 -0.208 0.000 1.333 95 R HN 0.307 nan 8.270 nan 0.000 0.522 96 L N -0.262 121.044 121.223 0.137 0.000 2.313 96 L HA 0.048 4.388 4.340 -0.000 0.000 0.214 96 L C 0.736 177.660 176.870 0.089 0.000 1.119 96 L CA 0.830 55.729 54.840 0.098 0.000 0.809 96 L CB 0.301 42.401 42.059 0.068 0.000 0.933 96 L HN -0.030 nan 8.230 nan 0.000 0.449 97 V N -0.763 119.221 119.914 0.117 0.000 2.841 97 V HA 0.603 4.723 4.120 -0.000 0.000 0.310 97 V C -0.061 176.096 176.094 0.105 0.000 1.090 97 V CA -0.956 61.393 62.300 0.082 0.000 0.930 97 V CB 1.842 33.696 31.823 0.051 0.000 1.014 97 V HN 0.071 nan 8.190 nan 0.000 0.425 98 A N 5.467 128.279 122.820 -0.012 0.000 2.257 98 A HA 0.851 5.171 4.320 -0.000 0.000 0.289 98 A C -2.602 174.849 177.584 -0.221 0.000 1.095 98 A CA -1.644 50.233 52.037 -0.267 0.000 0.836 98 A CB 0.087 18.934 19.000 -0.256 0.000 1.111 98 A HN 0.652 nan 8.150 nan 0.000 0.497 99 P HA 0.091 nan 4.420 nan 0.000 0.265 99 P C -0.192 176.974 177.300 -0.224 0.000 1.187 99 P CA 0.886 63.806 63.100 -0.300 0.000 0.766 99 P CB 0.049 31.553 31.700 -0.327 0.000 0.820 100 H N 0.403 119.447 119.070 -0.044 0.000 3.641 100 H HA -0.149 4.407 4.556 0.000 0.000 0.193 100 H C 1.400 176.716 175.328 -0.019 0.000 1.013 100 H CA 1.468 57.500 56.048 -0.026 0.000 1.212 100 H CB -2.094 27.646 29.762 -0.035 0.000 1.089 100 H HN 0.670 nan 8.280 nan 0.000 0.339 101 G N 0.392 109.207 108.800 0.025 0.000 2.985 101 G HA2 0.371 4.331 3.960 -0.000 0.000 0.209 101 G HA3 0.371 4.331 3.960 -0.000 0.000 0.209 101 G C 0.591 175.506 174.900 0.025 0.000 1.165 101 G CA 0.743 45.858 45.100 0.025 0.000 0.776 101 G HN 0.303 nan 8.290 nan 0.000 0.541 102 L N -4.036 117.203 121.223 0.026 0.000 2.479 102 L HA 0.574 4.914 4.340 -0.000 0.000 0.255 102 L C -0.966 175.932 176.870 0.046 0.000 1.026 102 L CA -1.828 53.029 54.840 0.029 0.000 0.842 102 L CB 0.945 43.016 42.059 0.020 0.000 1.444 102 L HN -0.232 nan 8.230 nan 0.000 0.409 103 N N 1.050 119.780 118.700 0.049 0.000 2.406 103 N HA 0.378 5.118 4.740 -0.000 0.000 0.265 103 N C 0.171 175.726 175.510 0.076 0.000 1.203 103 N CA 0.657 53.747 53.050 0.067 0.000 0.945 103 N CB 1.427 39.948 38.487 0.057 0.000 1.165 103 N HN 0.926 nan 8.380 nan 0.000 0.485 104 A N 2.645 125.528 122.820 0.106 0.000 2.500 104 A HA 0.359 4.679 4.320 -0.000 0.000 0.267 104 A C 1.009 178.717 177.584 0.207 0.000 1.290 104 A CA -0.256 51.871 52.037 0.151 0.000 0.928 104 A CB -0.315 18.807 19.000 0.203 0.000 1.066 104 A HN 0.582 nan 8.150 nan 0.000 0.516 105 G N -2.130 106.768 108.800 0.163 0.000 2.569 105 G HA2 0.457 4.417 3.960 -0.000 0.000 0.249 105 G HA3 0.457 4.417 3.960 -0.000 0.000 0.249 105 G C 1.156 176.147 174.900 0.151 0.000 1.216 105 G CA 0.192 45.395 45.100 0.172 0.000 0.845 105 G HN 1.445 nan 8.290 nan 0.000 0.568 106 G N -0.315 108.591 108.800 0.177 0.000 2.168 106 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 106 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 106 G C 1.232 176.207 174.900 0.125 0.000 0.977 106 G CA 0.664 45.851 45.100 0.145 0.000 0.659 106 G HN 0.602 nan 8.290 nan 0.000 0.533 107 L N -1.287 120.008 121.223 0.120 0.000 2.156 107 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 107 L C 2.633 179.439 176.870 -0.107 0.000 1.095 107 L CA 1.234 56.032 54.840 -0.070 0.000 0.770 107 L CB -0.470 41.451 42.059 -0.230 0.000 0.914 107 L HN 0.281 nan 8.230 nan 0.000 0.439 108 F N 0.356 120.338 119.950 0.053 0.000 2.216 108 F HA -0.123 4.404 4.527 0.000 0.000 0.300 108 F C 2.483 178.291 175.800 0.012 0.000 1.085 108 F CA 1.364 59.399 58.000 0.059 0.000 1.326 108 F CB -0.752 38.331 39.000 0.138 0.000 1.027 108 F HN 0.041 nan 8.300 nan 0.000 0.497 109 G N -1.069 107.844 108.800 0.187 0.000 2.511 109 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 109 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 109 G C 1.598 176.521 174.900 0.039 0.000 1.133 109 G CA 0.805 45.967 45.100 0.103 0.000 0.792 109 G HN 0.274 nan 8.290 nan 0.000 0.539 110 V N 0.340 120.252 119.914 -0.003 0.000 2.949 110 V HA 0.290 4.410 4.120 -0.000 0.000 0.245 110 V C 1.296 177.342 176.094 -0.079 0.000 1.086 110 V CA 0.159 62.438 62.300 -0.036 0.000 1.097 110 V CB -0.031 31.770 31.823 -0.036 0.000 0.762 110 V HN 0.158 nan 8.190 nan 0.000 0.470 111 L N 0.643 121.772 121.223 -0.156 0.000 2.417 111 L HA 0.232 4.572 4.340 -0.000 0.000 0.268 111 L C 0.505 177.307 176.870 -0.112 0.000 1.158 111 L CA 0.136 54.856 54.840 -0.199 0.000 0.819 111 L CB 0.935 42.705 42.059 -0.481 0.000 1.112 111 L HN 0.131 nan 8.230 nan 0.000 0.458 112 T N 1.703 116.216 114.554 -0.068 0.000 2.907 112 T HA 0.063 4.413 4.350 -0.000 0.000 0.298 112 T C 0.188 174.853 174.700 -0.058 0.000 1.017 112 T CA -0.413 61.651 62.100 -0.060 0.000 1.118 112 T CB 0.521 69.344 68.868 -0.075 0.000 0.948 112 T HN 0.401 nan 8.240 nan 0.000 0.531 113 N N 2.251 120.923 118.700 -0.048 0.000 2.475 113 N HA 0.238 4.978 4.740 -0.000 0.000 0.267 113 N C -1.089 174.333 175.510 -0.146 0.000 1.169 113 N CA -0.050 52.977 53.050 -0.038 0.000 0.947 113 N CB 0.380 38.863 38.487 -0.008 0.000 1.061 113 N HN 0.290 nan 8.380 nan 0.000 0.466 114 V N 3.341 123.105 119.914 -0.251 0.000 2.680 114 V HA 0.340 4.460 4.120 -0.000 0.000 0.309 114 V C -0.245 175.414 176.094 -0.724 0.000 1.052 114 V CA -0.998 60.925 62.300 -0.628 0.000 0.908 114 V CB 2.027 33.118 31.823 -1.220 0.000 1.001 114 V HN 0.351 nan 8.190 nan 0.000 0.431 115 V N 3.248 122.774 119.914 -0.648 0.000 2.356 115 V HA 0.222 4.342 4.120 -0.000 0.000 0.258 115 V C -0.622 175.162 176.094 -0.517 0.000 1.065 115 V CA -0.405 61.542 62.300 -0.588 0.000 0.935 115 V CB 0.003 31.289 31.823 -0.895 0.000 1.061 115 V HN 0.858 nan 8.190 nan 0.000 0.484 116 W N 4.012 125.273 121.300 -0.065 0.000 2.358 116 W HA 0.540 5.200 4.660 -0.000 0.000 0.307 116 W C 0.861 177.377 176.519 -0.006 0.000 1.203 116 W CA -0.330 57.044 57.345 0.049 0.000 1.279 116 W CB 1.056 30.615 29.460 0.165 0.000 1.264 116 W HN 0.629 nan 8.180 nan 0.000 0.474 117 T N -0.956 113.697 114.554 0.165 0.000 2.907 117 T HA 0.203 4.553 4.350 -0.000 0.000 0.290 117 T C 0.923 175.569 174.700 -0.091 0.000 1.066 117 T CA -0.965 61.096 62.100 -0.065 0.000 1.012 117 T CB 1.357 70.280 68.868 0.091 0.000 1.184 117 T HN 0.458 nan 8.240 nan 0.000 0.522 118 N N 0.025 118.539 118.700 -0.311 0.000 2.609 118 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 118 N C 0.670 176.006 175.510 -0.291 0.000 1.157 118 N CA 0.696 53.632 53.050 -0.190 0.000 0.918 118 N CB -0.616 37.718 38.487 -0.255 0.000 0.978 118 N HN 0.736 nan 8.380 nan 0.000 0.448 119 H N -0.914 118.182 119.070 0.044 0.000 2.755 119 H HA 0.355 4.910 4.556 -0.000 0.000 0.273 119 H C 1.059 176.425 175.328 0.063 0.000 1.055 119 H CA 0.524 56.602 56.048 0.049 0.000 1.191 119 H CB 0.831 30.616 29.762 0.038 0.000 1.536 119 H HN 0.424 nan 8.280 nan 0.000 0.529 120 G N 1.645 110.541 108.800 0.161 0.000 2.462 120 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.685 120 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.685 120 G C -3.059 171.924 174.900 0.138 0.000 1.295 120 G CA -1.258 43.932 45.100 0.150 0.000 0.941 120 G HN -0.098 nan 8.290 nan 0.000 0.554 121 P HA 0.521 nan 4.420 nan 0.000 0.271 121 P C -0.156 177.070 177.300 -0.123 0.000 1.216 121 P CA -0.207 62.818 63.100 -0.125 0.000 0.776 121 P CB 0.943 32.525 31.700 -0.197 0.000 0.881 122 C N 1.768 120.940 119.300 -0.213 0.000 2.802 122 C HA 0.751 5.211 4.460 -0.000 0.000 0.307 122 C C 0.559 175.438 174.990 -0.186 0.000 1.222 122 C CA -0.503 58.456 59.018 -0.098 0.000 1.580 122 C CB 1.709 29.502 27.740 0.090 0.000 2.119 122 C HN 0.645 nan 8.230 nan 0.000 0.479 123 A N 1.261 124.033 122.820 -0.080 0.000 2.366 123 A HA 0.526 4.846 4.320 -0.000 0.000 0.249 123 A C 0.912 178.461 177.584 -0.058 0.000 1.084 123 A CA -0.122 51.862 52.037 -0.088 0.000 0.794 123 A CB 0.028 19.006 19.000 -0.036 0.000 1.034 123 A HN 0.822 nan 8.150 nan 0.000 0.491 124 I N 0.335 120.855 120.570 -0.084 0.000 2.315 124 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 124 I C 0.336 176.487 176.117 0.057 0.000 1.117 124 I CA 0.835 62.113 61.300 -0.035 0.000 1.404 124 I CB -0.272 37.698 38.000 -0.050 0.000 1.071 124 I HN 0.552 nan 8.210 nan 0.000 0.419 125 D N 1.793 122.211 120.400 0.030 0.000 2.434 125 D HA 0.105 4.745 4.640 -0.000 0.000 0.252 125 D C 1.154 177.487 176.300 0.056 0.000 1.185 125 D CA 1.189 55.211 54.000 0.035 0.000 0.886 125 D CB 0.816 41.622 40.800 0.011 0.000 1.148 125 D HN 0.459 nan 8.370 nan 0.000 0.483 126 G N 2.615 111.444 108.800 0.049 0.000 2.155 126 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 126 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 126 G C 0.625 175.541 174.900 0.027 0.000 0.983 126 G CA 0.308 45.422 45.100 0.024 0.000 0.676 126 G HN 0.563 nan 8.290 nan 0.000 0.528 127 F N 1.097 121.025 119.950 -0.037 0.000 2.186 127 F HA 0.025 4.552 4.527 0.000 0.000 0.299 127 F C 2.397 178.176 175.800 -0.035 0.000 1.090 127 F CA 1.975 59.951 58.000 -0.041 0.000 1.307 127 F CB 0.192 39.166 39.000 -0.043 0.000 1.019 127 F HN 0.208 nan 8.300 nan 0.000 0.489 128 E N 0.613 120.716 120.200 -0.163 0.000 2.110 128 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 128 E C 2.362 178.802 176.600 -0.266 0.000 0.988 128 E CA 1.134 57.396 56.400 -0.230 0.000 0.804 128 E CB -0.809 28.852 29.700 -0.066 0.000 0.745 128 E HN 0.511 nan 8.360 nan 0.000 0.458 129 A N 0.911 123.616 122.820 -0.192 0.000 1.929 129 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 129 A C 2.600 180.052 177.584 -0.219 0.000 1.176 129 A CA 0.972 52.912 52.037 -0.163 0.000 0.628 129 A CB -0.497 18.442 19.000 -0.101 0.000 0.816 129 A HN 0.122 nan 8.150 nan 0.000 0.444 130 V N 0.349 120.093 119.914 -0.284 0.000 2.295 130 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 130 V C 2.663 178.500 176.094 -0.429 0.000 1.049 130 V CA 2.325 64.437 62.300 -0.313 0.000 1.024 130 V CB -0.800 30.862 31.823 -0.269 0.000 0.648 130 V HN 0.687 nan 8.190 nan 0.000 0.447 131 R N 0.260 120.333 120.500 -0.711 0.000 2.083 131 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 131 R C 2.241 178.363 176.300 -0.296 0.000 1.137 131 R CA 1.939 57.691 56.100 -0.580 0.000 0.951 131 R CB -0.441 29.476 30.300 -0.637 0.000 0.851 131 R HN 0.492 nan 8.270 nan 0.000 0.434 132 A N 0.993 123.664 122.820 -0.248 0.000 1.930 132 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 132 A C 2.170 179.668 177.584 -0.143 0.000 1.175 132 A CA 1.127 53.070 52.037 -0.157 0.000 0.627 132 A CB -0.333 18.592 19.000 -0.125 0.000 0.815 132 A HN 0.364 nan 8.150 nan 0.000 0.443 133 R N -0.520 119.884 120.500 -0.161 0.000 2.075 133 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 133 R C 1.948 178.149 176.300 -0.166 0.000 1.126 133 R CA 1.304 57.321 56.100 -0.139 0.000 0.963 133 R CB -0.514 29.709 30.300 -0.128 0.000 0.858 133 R HN 0.468 nan 8.270 nan 0.000 0.435 134 L N 0.433 121.520 121.223 -0.227 0.000 2.191 134 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 134 L C 2.509 179.225 176.870 -0.255 0.000 1.103 134 L CA 0.881 55.518 54.840 -0.340 0.000 0.769 134 L CB -0.307 41.475 42.059 -0.462 0.000 0.908 134 L HN 0.126 nan 8.230 nan 0.000 0.438 135 R N 0.366 120.772 120.500 -0.156 0.000 2.241 135 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 135 R C 2.120 178.386 176.300 -0.057 0.000 1.101 135 R CA 0.731 56.784 56.100 -0.078 0.000 0.995 135 R CB -0.165 30.096 30.300 -0.065 0.000 0.870 135 R HN 0.435 nan 8.270 nan 0.000 0.463 136 R N -0.302 120.153 120.500 -0.075 0.000 2.189 136 R HA -0.047 4.293 4.340 -0.000 0.000 0.223 136 R C 1.920 178.201 176.300 -0.032 0.000 1.092 136 R CA 0.923 56.993 56.100 -0.050 0.000 0.989 136 R CB -0.021 30.246 30.300 -0.055 0.000 0.876 136 R HN 0.146 nan 8.270 nan 0.000 0.457 137 R N -0.291 120.183 120.500 -0.043 0.000 2.210 137 R HA 0.148 4.488 4.340 -0.000 0.000 0.203 137 R C 0.750 177.092 176.300 0.070 0.000 1.010 137 R CA 0.580 56.688 56.100 0.014 0.000 1.008 137 R CB 0.702 31.012 30.300 0.018 0.000 0.923 137 R HN 0.254 nan 8.270 nan 0.000 0.469 138 G N 0.190 109.029 108.800 0.065 0.000 2.350 138 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.282 138 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.282 138 G C -2.986 171.975 174.900 0.102 0.000 1.314 138 G CA -1.290 43.861 45.100 0.085 0.000 0.915 138 G HN -0.231 nan 8.290 nan 0.000 0.499 139 P HA 0.401 nan 4.420 nan 0.000 0.267 139 P C -0.288 177.093 177.300 0.134 0.000 1.200 139 P CA -0.182 62.964 63.100 0.076 0.000 0.772 139 P CB 1.062 32.791 31.700 0.048 0.000 0.855 140 V N 3.607 123.582 119.914 0.101 0.000 2.384 140 V HA 0.359 4.479 4.120 -0.000 0.000 0.287 140 V C 0.143 176.276 176.094 0.065 0.000 1.020 140 V CA -0.088 62.295 62.300 0.138 0.000 0.850 140 V CB 1.624 33.509 31.823 0.103 0.000 0.987 140 V HN 0.494 nan 8.190 nan 0.000 0.436 141 T N 4.396 118.940 114.554 -0.015 0.000 2.824 141 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 141 T C -0.486 174.052 174.700 -0.269 0.000 0.993 141 T CA -0.390 61.633 62.100 -0.128 0.000 0.967 141 T CB 1.770 70.521 68.868 -0.194 0.000 0.960 141 T HN 0.302 nan 8.240 nan 0.000 0.441 142 V N 4.536 124.355 119.914 -0.159 0.000 2.347 142 V HA 0.253 4.373 4.120 -0.000 0.000 0.280 142 V C -0.001 176.039 176.094 -0.089 0.000 1.021 142 V CA -0.495 61.719 62.300 -0.144 0.000 0.847 142 V CB 0.830 32.629 31.823 -0.041 0.000 0.990 142 V HN 0.979 nan 8.190 nan 0.000 0.444 143 Y N 3.380 123.755 120.300 0.125 0.000 2.395 143 Y HA 0.382 4.932 4.550 -0.000 0.000 0.293 143 Y C 1.492 177.467 175.900 0.125 0.000 1.123 143 Y CA 0.585 58.751 58.100 0.111 0.000 1.227 143 Y CB 0.536 39.062 38.460 0.109 0.000 1.012 143 Y HN 0.717 nan 8.280 nan 0.000 0.552 144 G N -0.969 108.025 108.800 0.324 0.000 2.466 144 G HA2 0.450 4.410 3.960 -0.000 0.000 0.291 144 G HA3 0.450 4.410 3.960 -0.000 0.000 0.291 144 G C -2.215 172.879 174.900 0.324 0.000 1.460 144 G CA -0.684 44.591 45.100 0.292 0.000 0.791 144 G HN -0.272 nan 8.290 nan 0.000 0.505 145 V N 1.570 121.633 119.914 0.248 0.000 2.445 145 V HA 0.671 4.791 4.120 -0.000 0.000 0.283 145 V C -1.057 175.168 176.094 0.219 0.000 1.014 145 V CA -0.414 61.968 62.300 0.137 0.000 0.852 145 V CB 1.206 33.036 31.823 0.013 0.000 1.021 145 V HN 0.892 nan 8.190 nan 0.000 0.435 146 D N 2.261 122.871 120.400 0.349 0.000 2.671 146 D HA 0.353 4.993 4.640 -0.000 0.000 0.273 146 D C 0.430 176.981 176.300 0.418 0.000 1.264 146 D CA -0.635 53.586 54.000 0.368 0.000 0.788 146 D CB 2.266 43.301 40.800 0.392 0.000 1.324 146 D HN 0.219 nan 8.370 nan 0.000 0.424 147 K N -0.064 120.482 120.400 0.244 0.000 2.305 147 K HA 0.168 4.488 4.320 -0.000 0.000 0.199 147 K C 0.030 176.506 176.600 -0.207 0.000 1.047 147 K CA 0.671 56.941 56.287 -0.028 0.000 0.976 147 K CB 0.237 32.571 32.500 -0.276 0.000 0.765 147 K HN 0.167 nan 8.250 nan 0.000 0.474 148 F N 1.515 121.513 119.950 0.080 0.000 2.467 148 F HA 0.310 4.837 4.527 0.000 0.000 0.336 148 F C -2.026 173.658 175.800 -0.192 0.000 1.123 148 F CA -2.674 55.265 58.000 -0.101 0.000 0.964 148 F CB 1.474 40.379 39.000 -0.159 0.000 1.136 148 F HN -0.131 nan 8.300 nan 0.000 0.447 149 P HA 0.416 nan 4.420 nan 0.000 0.321 149 P C -1.100 176.023 177.300 -0.296 0.000 1.304 149 P CA -0.862 61.788 63.100 -0.750 0.000 0.759 149 P CB 1.090 32.157 31.700 -1.056 0.000 1.385 150 R N 0.028 120.380 120.500 -0.247 0.000 2.234 150 R HA 0.313 4.653 4.340 -0.000 0.000 0.324 150 R C 1.604 177.902 176.300 -0.003 0.000 1.054 150 R CA -0.338 55.693 56.100 -0.115 0.000 0.912 150 R CB 0.431 30.638 30.300 -0.155 0.000 1.030 150 R HN 0.492 nan 8.270 nan 0.000 0.455 151 M N 3.428 123.013 119.600 -0.026 0.000 2.089 151 M HA -0.222 4.258 4.480 -0.000 0.000 0.257 151 M C 1.594 177.924 176.300 0.049 0.000 1.071 151 M CA 2.201 57.503 55.300 0.002 0.000 1.096 151 M CB 0.042 32.608 32.600 -0.057 0.000 1.330 151 M HN 0.582 nan 8.290 nan 0.000 0.403 152 V N -2.693 117.203 119.914 -0.029 0.000 3.078 152 V HA -0.139 3.981 4.120 -0.000 0.000 0.265 152 V C 0.962 176.996 176.094 -0.100 0.000 1.122 152 V CA 1.715 63.977 62.300 -0.064 0.000 1.141 152 V CB -1.167 30.598 31.823 -0.097 0.000 0.735 152 V HN 0.348 nan 8.190 nan 0.000 0.498 153 D N -0.885 119.451 120.400 -0.107 0.000 2.363 153 D HA 0.057 4.697 4.640 -0.000 0.000 0.226 153 D C 1.313 177.225 176.300 -0.646 0.000 1.020 153 D CA 1.020 54.819 54.000 -0.336 0.000 0.892 153 D CB 0.119 40.707 40.800 -0.353 0.000 0.900 153 D HN 0.691 nan 8.370 nan 0.000 0.531 154 Y N -1.168 119.068 120.300 -0.107 0.000 2.701 154 Y HA 0.259 4.810 4.550 0.000 0.000 0.275 154 Y C 0.496 176.521 175.900 0.209 0.000 1.133 154 Y CA -0.230 57.916 58.100 0.077 0.000 1.241 154 Y CB 1.370 39.893 38.460 0.106 0.000 1.389 154 Y HN -0.249 nan 8.280 nan 0.000 0.486 155 V N 0.555 120.578 119.914 0.182 0.000 2.969 155 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 155 V C -1.719 174.347 176.094 -0.046 0.000 1.192 155 V CA -0.933 61.401 62.300 0.056 0.000 0.962 155 V CB 2.194 33.928 31.823 -0.149 0.000 1.045 155 V HN -0.238 nan 8.190 nan 0.000 0.428 156 V N 8.354 128.232 119.914 -0.060 0.000 2.318 156 V HA 0.460 4.580 4.120 -0.000 0.000 0.271 156 V C -1.997 174.036 176.094 -0.101 0.000 1.030 156 V CA -1.287 60.966 62.300 -0.078 0.000 0.844 156 V CB 1.213 33.000 31.823 -0.059 0.000 1.015 156 V HN 0.884 nan 8.190 nan 0.000 0.460 157 P HA 0.268 nan 4.420 nan 0.000 0.271 157 P C 0.177 177.423 177.300 -0.089 0.000 1.218 157 P CA -0.113 62.909 63.100 -0.130 0.000 0.780 157 P CB 0.408 32.016 31.700 -0.153 0.000 0.901 158 T N -2.364 112.147 114.554 -0.071 0.000 2.868 158 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 158 T C 1.112 175.781 174.700 -0.051 0.000 1.028 158 T CA 0.119 62.189 62.100 -0.050 0.000 1.059 158 T CB 0.398 69.246 68.868 -0.033 0.000 0.991 158 T HN 0.835 nan 8.240 nan 0.000 0.531 159 G N -0.114 108.662 108.800 -0.040 0.000 2.143 159 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.248 159 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.248 159 G C -0.056 174.818 174.900 -0.042 0.000 0.991 159 G CA 0.064 45.142 45.100 -0.036 0.000 0.689 159 G HN 1.073 nan 8.290 nan 0.000 0.522 160 V N 0.092 119.976 119.914 -0.050 0.000 2.823 160 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 160 V C 0.263 176.324 176.094 -0.055 0.000 1.072 160 V CA -1.024 61.242 62.300 -0.057 0.000 0.937 160 V CB 1.994 33.773 31.823 -0.074 0.000 1.013 160 V HN 0.355 nan 8.190 nan 0.000 0.430 161 R N 3.595 124.062 120.500 -0.055 0.000 2.670 161 R HA 0.741 5.081 4.340 -0.000 0.000 0.289 161 R C -1.450 174.805 176.300 -0.075 0.000 0.965 161 R CA -0.690 55.373 56.100 -0.060 0.000 0.899 161 R CB 2.390 32.661 30.300 -0.049 0.000 1.173 161 R HN 0.582 nan 8.270 nan 0.000 0.456 162 I N 2.170 122.686 120.570 -0.092 0.000 2.493 162 I HA 0.192 4.362 4.170 -0.000 0.000 0.279 162 I C 0.859 176.883 176.117 -0.155 0.000 1.045 162 I CA -0.271 60.962 61.300 -0.112 0.000 1.106 162 I CB 1.916 39.854 38.000 -0.103 0.000 1.216 162 I HN 0.791 nan 8.210 nan 0.000 0.459 163 A N 3.755 126.437 122.820 -0.230 0.000 1.933 163 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 163 A C 0.895 178.246 177.584 -0.387 0.000 1.175 163 A CA 1.657 53.454 52.037 -0.401 0.000 0.628 163 A CB -0.108 18.403 19.000 -0.815 0.000 0.814 163 A HN 0.692 nan 8.150 nan 0.000 0.444 164 D N -1.872 118.350 120.400 -0.298 0.000 2.421 164 D HA 0.551 5.191 4.640 -0.000 0.000 0.254 164 D C 0.286 176.529 176.300 -0.096 0.000 1.238 164 D CA 0.208 54.115 54.000 -0.155 0.000 0.919 164 D CB 1.129 41.880 40.800 -0.083 0.000 1.152 164 D HN 0.070 nan 8.370 nan 0.000 0.552 165 A N 3.231 125.992 122.820 -0.097 0.000 2.235 165 A HA -0.020 4.300 4.320 -0.000 0.000 0.208 165 A C 1.367 178.906 177.584 -0.075 0.000 1.172 165 A CA 0.334 52.316 52.037 -0.092 0.000 0.786 165 A CB -0.014 18.920 19.000 -0.109 0.000 0.804 165 A HN 0.464 nan 8.150 nan 0.000 0.479 166 D N 0.374 120.740 120.400 -0.056 0.000 2.311 166 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 166 D C 1.382 177.707 176.300 0.043 0.000 0.972 166 D CA 0.782 54.770 54.000 -0.020 0.000 0.887 166 D CB -0.047 40.757 40.800 0.006 0.000 0.915 166 D HN 0.355 nan 8.370 nan 0.000 0.497 167 R N 0.200 120.735 120.500 0.058 0.000 2.427 167 R HA 0.200 4.540 4.340 -0.000 0.000 0.262 167 R C -0.282 176.083 176.300 0.109 0.000 0.943 167 R CA -0.043 56.168 56.100 0.185 0.000 1.081 167 R CB 1.185 31.586 30.300 0.169 0.000 1.166 167 R HN -0.017 nan 8.270 nan 0.000 0.534 168 V N 1.994 121.904 119.914 -0.008 0.000 2.409 168 V HA 0.319 4.439 4.120 -0.000 0.000 0.290 168 V C 0.343 176.384 176.094 -0.088 0.000 1.017 168 V CA -0.851 61.378 62.300 -0.118 0.000 0.841 168 V CB 2.135 33.884 31.823 -0.123 0.000 1.003 168 V HN 0.093 nan 8.190 nan 0.000 0.426 169 R N 2.397 122.832 120.500 -0.108 0.000 2.594 169 R HA 0.361 4.701 4.340 -0.000 0.000 0.272 169 R C -0.208 176.052 176.300 -0.067 0.000 1.074 169 R CA -0.727 55.342 56.100 -0.051 0.000 1.105 169 R CB 0.796 31.072 30.300 -0.040 0.000 1.008 169 R HN 0.559 nan 8.270 nan 0.000 0.472 170 L N 1.730 122.913 121.223 -0.067 0.000 2.540 170 L HA 0.093 4.433 4.340 -0.000 0.000 0.276 170 L C 1.102 177.944 176.870 -0.045 0.000 1.212 170 L CA 2.041 56.813 54.840 -0.113 0.000 0.893 170 L CB 0.605 42.498 42.059 -0.277 0.000 1.138 170 L HN 0.927 nan 8.230 nan 0.000 0.491 171 G N 2.654 111.435 108.800 -0.032 0.000 2.201 171 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.212 171 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.212 171 G C 0.327 175.245 174.900 0.030 0.000 0.994 171 G CA 0.071 45.196 45.100 0.043 0.000 0.644 171 G HN 1.218 nan 8.290 nan 0.000 0.508 172 A N 0.729 123.531 122.820 -0.031 0.000 2.388 172 A HA 0.595 4.915 4.320 -0.000 0.000 0.257 172 A C 0.070 177.650 177.584 -0.006 0.000 1.095 172 A CA 0.156 52.155 52.037 -0.063 0.000 0.791 172 A CB 0.299 19.215 19.000 -0.141 0.000 1.029 172 A HN 0.863 nan 8.150 nan 0.000 0.489 173 H N 3.254 122.268 119.070 -0.094 0.000 2.685 173 H HA 0.500 5.056 4.556 0.000 0.000 0.307 173 H C -1.754 173.532 175.328 -0.070 0.000 1.017 173 H CA -0.466 55.542 56.048 -0.066 0.000 1.237 173 H CB 0.510 30.238 29.762 -0.057 0.000 1.409 173 H HN 0.538 nan 8.280 nan 0.000 0.488 174 L N 5.055 126.165 121.223 -0.188 0.000 2.318 174 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 174 L C 0.613 177.384 176.870 -0.166 0.000 1.008 174 L CA -0.880 53.892 54.840 -0.113 0.000 0.846 174 L CB 1.416 43.413 42.059 -0.104 0.000 1.220 174 L HN 0.536 nan 8.230 nan 0.000 0.423 175 A N 4.888 127.667 122.820 -0.068 0.000 2.386 175 A HA 0.566 4.886 4.320 -0.000 0.000 0.248 175 A C -2.295 175.260 177.584 -0.048 0.000 1.082 175 A CA -1.187 50.819 52.037 -0.053 0.000 0.789 175 A CB -0.276 18.758 19.000 0.057 0.000 1.025 175 A HN 0.436 nan 8.150 nan 0.000 0.490 176 P HA 0.206 nan 4.420 nan 0.000 0.262 176 P C 0.934 178.221 177.300 -0.022 0.000 1.182 176 P CA 2.054 65.134 63.100 -0.034 0.000 0.761 176 P CB 0.467 32.153 31.700 -0.024 0.000 0.795 177 G N 1.340 110.125 108.800 -0.024 0.000 2.176 177 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.232 177 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.232 177 G C 0.262 175.150 174.900 -0.020 0.000 0.986 177 G CA -0.138 44.951 45.100 -0.018 0.000 0.643 177 G HN 0.589 nan 8.290 nan 0.000 0.522 178 T N 1.689 116.226 114.554 -0.027 0.000 2.889 178 T HA 0.578 4.928 4.350 -0.000 0.000 0.291 178 T C 0.022 174.701 174.700 -0.036 0.000 0.995 178 T CA 0.729 62.811 62.100 -0.030 0.000 1.092 178 T CB 1.562 70.409 68.868 -0.034 0.000 0.954 178 T HN 0.191 nan 8.240 nan 0.000 0.506 179 T N 2.731 117.266 114.554 -0.032 0.000 2.840 179 T HA 0.447 4.797 4.350 -0.000 0.000 0.287 179 T C -0.497 174.180 174.700 -0.039 0.000 0.991 179 T CA -0.506 61.572 62.100 -0.036 0.000 0.964 179 T CB 1.104 69.957 68.868 -0.024 0.000 0.954 179 T HN 0.317 nan 8.240 nan 0.000 0.438 180 V N 5.538 125.418 119.914 -0.055 0.000 2.350 180 V HA 0.416 4.536 4.120 -0.000 0.000 0.276 180 V C 0.263 176.320 176.094 -0.062 0.000 1.028 180 V CA -0.780 61.487 62.300 -0.055 0.000 0.860 180 V CB 1.094 32.874 31.823 -0.071 0.000 0.990 180 V HN 0.787 nan 8.190 nan 0.000 0.453 181 M N 2.542 122.129 119.600 -0.022 0.000 2.154 181 M HA 0.359 4.839 4.480 -0.000 0.000 0.251 181 M C 1.498 177.798 176.300 0.000 0.000 1.200 181 M CA -0.157 55.144 55.300 0.001 0.000 0.967 181 M CB 0.044 32.696 32.600 0.086 0.000 1.362 181 M HN 0.678 nan 8.290 nan 0.000 0.522 182 H N -0.352 118.723 119.070 0.009 0.000 2.421 182 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 182 H C 1.422 176.767 175.328 0.028 0.000 1.087 182 H CA 1.667 57.724 56.048 0.016 0.000 1.330 182 H CB -0.010 29.759 29.762 0.011 0.000 1.388 182 H HN 0.530 nan 8.280 nan 0.000 0.526 183 E N 0.864 121.160 120.200 0.160 0.000 2.478 183 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 183 E C 1.024 177.684 176.600 0.099 0.000 1.045 183 E CA 0.178 56.642 56.400 0.106 0.000 0.868 183 E CB -0.013 29.734 29.700 0.079 0.000 0.885 183 E HN 0.428 nan 8.360 nan 0.000 0.505 184 G N 0.231 109.081 108.800 0.084 0.000 2.594 184 G HA2 0.289 4.249 3.960 -0.000 0.000 0.243 184 G HA3 0.289 4.249 3.960 -0.000 0.000 0.243 184 G C -0.946 174.044 174.900 0.150 0.000 1.229 184 G CA -0.191 44.956 45.100 0.077 0.000 0.843 184 G HN 0.186 nan 8.290 nan 0.000 0.578 185 F N 1.016 120.953 119.950 -0.021 0.000 2.604 185 F HA 0.554 5.081 4.527 -0.000 0.000 0.316 185 F C -1.237 174.540 175.800 -0.037 0.000 1.136 185 F CA -1.060 56.924 58.000 -0.027 0.000 0.989 185 F CB 1.941 40.930 39.000 -0.018 0.000 1.258 185 F HN 0.427 nan 8.300 nan 0.000 0.451 186 V N 5.864 125.131 119.914 -1.078 0.000 2.483 186 V HA 0.387 4.507 4.120 -0.000 0.000 0.297 186 V C -0.280 175.111 176.094 -1.173 0.000 1.027 186 V CA -0.836 60.912 62.300 -0.920 0.000 0.855 186 V CB 1.324 32.898 31.823 -0.415 0.000 0.995 186 V HN 0.845 nan 8.190 nan 0.000 0.424 187 N N 2.190 120.308 118.700 -0.969 0.000 2.364 187 N HA 0.299 5.039 4.740 -0.000 0.000 0.264 187 N C -0.400 174.900 175.510 -0.349 0.000 1.263 187 N CA -0.364 52.365 53.050 -0.536 0.000 0.959 187 N CB 0.853 39.186 38.487 -0.257 0.000 1.204 187 N HN 0.657 nan 8.380 nan 0.000 0.550 188 Y N -0.049 120.061 120.300 -0.317 0.000 2.330 188 Y HA 0.191 4.741 4.550 0.000 0.000 0.341 188 Y C 0.853 176.646 175.900 -0.179 0.000 1.278 188 Y CA -0.848 57.105 58.100 -0.244 0.000 1.453 188 Y CB 0.005 38.298 38.460 -0.279 0.000 1.342 188 Y HN 0.709 nan 8.280 nan 0.000 0.590 189 N N -0.253 118.413 118.700 -0.056 0.000 2.727 189 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 189 N C -1.471 173.863 175.510 -0.293 0.000 1.048 189 N CA 0.933 53.876 53.050 -0.179 0.000 0.714 189 N CB -1.231 37.146 38.487 -0.183 0.000 0.959 189 N HN 1.227 nan 8.380 nan 0.000 0.544 190 A N -1.723 120.970 122.820 -0.212 0.000 2.610 190 A HA 0.925 5.245 4.320 -0.000 0.000 0.291 190 A C 0.741 178.253 177.584 -0.120 0.000 1.086 190 A CA 0.315 52.236 52.037 -0.192 0.000 0.677 190 A CB 1.200 20.060 19.000 -0.234 0.000 1.278 190 A HN 1.256 nan 8.150 nan 0.000 0.414 191 G N -0.768 107.977 108.800 -0.091 0.000 2.295 191 G HA2 0.566 4.526 3.960 -0.000 0.000 0.155 191 G HA3 0.566 4.526 3.960 -0.000 0.000 0.155 191 G C -0.212 174.684 174.900 -0.006 0.000 1.307 191 G CA 0.826 45.897 45.100 -0.047 0.000 1.140 191 G HN 2.263 nan 8.290 nan 0.000 0.470 192 T N -0.797 113.797 114.554 0.066 0.000 2.887 192 T HA 0.717 5.067 4.350 -0.000 0.000 0.288 192 T C 0.928 175.702 174.700 0.123 0.000 1.021 192 T CA -0.547 61.587 62.100 0.056 0.000 1.000 192 T CB 1.932 70.817 68.868 0.028 0.000 1.034 192 T HN 0.626 nan 8.240 nan 0.000 0.467 193 L N 0.875 122.135 121.223 0.062 0.000 2.556 193 L HA 0.431 4.771 4.340 -0.000 0.000 0.226 193 L C 1.402 178.314 176.870 0.070 0.000 1.089 193 L CA 0.191 55.074 54.840 0.072 0.000 0.864 193 L CB -0.138 41.929 42.059 0.014 0.000 1.067 193 L HN 0.984 nan 8.230 nan 0.000 0.477 194 G N -0.638 108.188 108.800 0.043 0.000 3.107 194 G HA2 0.610 4.570 3.960 -0.000 0.000 0.233 194 G HA3 0.610 4.570 3.960 -0.000 0.000 0.233 194 G C -1.381 173.528 174.900 0.014 0.000 1.168 194 G CA 0.091 45.207 45.100 0.027 0.000 0.801 194 G HN -0.019 nan 8.290 nan 0.000 0.605 195 A N -0.054 122.769 122.820 0.006 0.000 2.302 195 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 195 A C -0.058 177.525 177.584 -0.002 0.000 1.235 195 A CA 0.021 52.058 52.037 -0.001 0.000 0.876 195 A CB 0.182 19.181 19.000 -0.002 0.000 1.133 195 A HN 0.780 nan 8.150 nan 0.000 0.533 196 S N 1.397 117.093 115.700 -0.006 0.000 2.540 196 S HA 0.542 5.012 4.470 -0.000 0.000 0.275 196 S C -0.640 173.953 174.600 -0.011 0.000 1.123 196 S CA -0.527 57.669 58.200 -0.007 0.000 0.907 196 S CB 1.464 64.659 63.200 -0.008 0.000 1.081 196 S HN 0.835 nan 8.310 nan 0.000 0.476 197 M N 4.003 123.598 119.600 -0.008 0.000 2.084 197 M HA 0.494 4.974 4.480 -0.000 0.000 0.351 197 M C -1.643 174.653 176.300 -0.007 0.000 1.240 197 M CA -0.209 55.087 55.300 -0.007 0.000 1.083 197 M CB 0.217 32.816 32.600 -0.001 0.000 1.593 197 M HN 0.314 nan 8.290 nan 0.000 0.463 198 V N 6.726 126.633 119.914 -0.011 0.000 2.313 198 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 198 V C 0.041 176.137 176.094 0.003 0.000 1.017 198 V CA -0.283 62.011 62.300 -0.011 0.000 0.823 198 V CB 0.723 32.529 31.823 -0.028 0.000 1.010 198 V HN 0.935 nan 8.190 nan 0.000 0.443 199 E N 2.974 123.183 120.200 0.014 0.000 2.660 199 E HA 0.355 4.705 4.350 -0.000 0.000 0.216 199 E C 0.776 177.399 176.600 0.038 0.000 0.986 199 E CA -0.009 56.410 56.400 0.032 0.000 1.037 199 E CB 1.699 31.418 29.700 0.032 0.000 1.041 199 E HN 0.765 nan 8.360 nan 0.000 0.480 200 G N 0.819 109.639 108.800 0.032 0.000 3.176 200 G HA2 0.513 4.473 3.960 -0.000 0.000 0.272 200 G HA3 0.513 4.473 3.960 -0.000 0.000 0.272 200 G C -0.909 174.036 174.900 0.075 0.000 1.349 200 G CA -0.889 44.237 45.100 0.043 0.000 0.953 200 G HN -0.091 nan 8.290 nan 0.000 0.559 201 R N -0.081 120.477 120.500 0.096 0.000 2.229 201 R HA 0.407 4.747 4.340 -0.000 0.000 0.332 201 R C -0.676 175.697 176.300 0.122 0.000 0.989 201 R CA -0.343 55.875 56.100 0.197 0.000 0.842 201 R CB 1.544 31.974 30.300 0.218 0.000 1.119 201 R HN 0.271 nan 8.270 nan 0.000 0.456 202 I N 2.726 123.334 120.570 0.062 0.000 2.307 202 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 202 I C 0.246 176.343 176.117 -0.034 0.000 1.054 202 I CA -0.206 61.077 61.300 -0.029 0.000 1.218 202 I CB 1.430 39.364 38.000 -0.110 0.000 1.398 202 I HN 0.565 nan 8.210 nan 0.000 0.475 203 S N 4.083 119.800 115.700 0.029 0.000 2.596 203 S HA 0.389 4.859 4.470 -0.000 0.000 0.260 203 S C 0.592 175.137 174.600 -0.092 0.000 1.336 203 S CA -0.727 57.495 58.200 0.038 0.000 0.993 203 S CB 0.946 64.168 63.200 0.037 0.000 0.923 203 S HN 0.712 nan 8.310 nan 0.000 0.567 204 A N 0.254 122.979 122.820 -0.159 0.000 2.498 204 A HA 0.495 4.815 4.320 -0.000 0.000 0.239 204 A C 1.500 178.950 177.584 -0.223 0.000 1.068 204 A CA 0.243 52.055 52.037 -0.374 0.000 0.766 204 A CB -1.081 17.553 19.000 -0.610 0.000 1.003 204 A HN 1.759 nan 8.150 nan 0.000 0.497 205 G N 0.629 109.282 108.800 -0.245 0.000 2.225 205 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.254 205 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.254 205 G C 0.248 175.195 174.900 0.077 0.000 0.988 205 G CA 0.203 45.265 45.100 -0.064 0.000 0.625 205 G HN 1.428 nan 8.290 nan 0.000 0.527 206 V N 1.200 121.096 119.914 -0.029 0.000 2.465 206 V HA 0.609 4.729 4.120 -0.000 0.000 0.279 206 V C 0.586 176.666 176.094 -0.023 0.000 1.045 206 V CA -0.515 61.785 62.300 -0.001 0.000 0.938 206 V CB 1.698 33.508 31.823 -0.022 0.000 0.986 206 V HN 0.259 nan 8.190 nan 0.000 0.467 207 V N 5.394 125.310 119.914 0.004 0.000 2.628 207 V HA 0.552 4.672 4.120 -0.000 0.000 0.306 207 V C -0.363 175.723 176.094 -0.014 0.000 1.045 207 V CA -0.583 61.708 62.300 -0.016 0.000 0.905 207 V CB 2.288 34.112 31.823 0.001 0.000 0.997 207 V HN 0.580 nan 8.190 nan 0.000 0.436 208 V N 3.113 123.017 119.914 -0.017 0.000 2.444 208 V HA 0.682 4.802 4.120 -0.000 0.000 0.294 208 V C 0.676 176.768 176.094 -0.004 0.000 1.022 208 V CA -0.287 62.006 62.300 -0.011 0.000 0.850 208 V CB 1.638 33.452 31.823 -0.015 0.000 0.992 208 V HN 0.990 nan 8.190 nan 0.000 0.426 209 G N 2.116 110.915 108.800 -0.002 0.000 2.580 209 G HA2 0.312 4.272 3.960 -0.000 0.000 0.278 209 G HA3 0.312 4.272 3.960 -0.000 0.000 0.278 209 G C -0.373 174.530 174.900 0.005 0.000 1.212 209 G CA -0.337 44.765 45.100 0.002 0.000 0.939 209 G HN 0.689 nan 8.290 nan 0.000 0.513 210 D N -0.883 119.521 120.400 0.008 0.000 2.531 210 D HA 0.345 4.985 4.640 -0.000 0.000 0.239 210 D C 1.468 177.772 176.300 0.005 0.000 1.144 210 D CA 1.819 55.824 54.000 0.008 0.000 0.869 210 D CB 0.365 41.170 40.800 0.009 0.000 1.160 210 D HN 0.987 nan 8.370 nan 0.000 0.484 211 G N 2.360 111.162 108.800 0.004 0.000 2.176 211 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 211 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 211 G C 0.368 175.269 174.900 0.002 0.000 0.979 211 G CA 0.360 45.461 45.100 0.002 0.000 0.641 211 G HN 0.597 nan 8.290 nan 0.000 0.530 212 S N 1.173 116.874 115.700 0.001 0.000 2.537 212 S HA 0.581 5.051 4.470 -0.000 0.000 0.275 212 S C -0.513 174.085 174.600 -0.002 0.000 1.272 212 S CA -0.475 57.725 58.200 0.000 0.000 1.050 212 S CB 1.469 64.669 63.200 -0.000 0.000 0.961 212 S HN 0.324 nan 8.310 nan 0.000 0.496 213 D N 1.454 121.852 120.400 -0.002 0.000 2.350 213 D HA 0.433 5.073 4.640 -0.000 0.000 0.245 213 D C -0.899 175.397 176.300 -0.007 0.000 1.036 213 D CA -0.340 53.658 54.000 -0.004 0.000 0.848 213 D CB 1.877 42.676 40.800 -0.001 0.000 1.307 213 D HN 0.175 nan 8.370 nan 0.000 0.469 214 V N 1.841 121.750 119.914 -0.009 0.000 2.334 214 V HA 0.522 4.642 4.120 -0.000 0.000 0.281 214 V C 1.038 177.127 176.094 -0.007 0.000 1.016 214 V CA -0.728 61.564 62.300 -0.013 0.000 0.832 214 V CB 1.324 33.138 31.823 -0.014 0.000 0.999 214 V HN 0.607 nan 8.190 nan 0.000 0.439 215 G N 3.296 112.089 108.800 -0.011 0.000 2.667 215 G HA2 0.429 4.389 3.960 -0.000 0.000 0.250 215 G HA3 0.429 4.389 3.960 -0.000 0.000 0.250 215 G C 0.626 175.527 174.900 0.002 0.000 1.212 215 G CA 0.005 45.102 45.100 -0.004 0.000 0.874 215 G HN 1.030 nan 8.290 nan 0.000 0.561 216 G N -1.430 107.375 108.800 0.009 0.000 2.254 216 G HA2 0.498 4.458 3.960 -0.000 0.000 0.253 216 G HA3 0.498 4.458 3.960 -0.000 0.000 0.253 216 G C 1.286 176.194 174.900 0.013 0.000 1.246 216 G CA 0.743 45.854 45.100 0.017 0.000 0.946 216 G HN 2.003 nan 8.290 nan 0.000 0.474 217 G N 0.978 109.791 108.800 0.022 0.000 2.184 217 G HA2 0.103 4.063 3.960 -0.000 0.000 0.264 217 G HA3 0.103 4.063 3.960 -0.000 0.000 0.264 217 G C 0.791 175.695 174.900 0.006 0.000 0.975 217 G CA 0.679 45.791 45.100 0.020 0.000 0.642 217 G HN 1.952 nan 8.290 nan 0.000 0.536 218 A N -0.209 122.605 122.820 -0.010 0.000 2.386 218 A HA 0.716 5.036 4.320 -0.000 0.000 0.248 218 A C 0.752 178.313 177.584 -0.038 0.000 1.082 218 A CA 1.057 53.063 52.037 -0.051 0.000 0.789 218 A CB 0.871 19.831 19.000 -0.066 0.000 1.025 218 A HN 1.617 nan 8.150 nan 0.000 0.490 219 S N 1.285 116.926 115.700 -0.098 0.000 2.566 219 S HA 0.582 5.052 4.470 -0.000 0.000 0.324 219 S C -0.712 173.839 174.600 -0.082 0.000 1.081 219 S CA -0.554 57.627 58.200 -0.032 0.000 1.105 219 S CB -0.203 63.050 63.200 0.088 0.000 0.981 219 S HN 0.470 nan 8.310 nan 0.000 0.464 220 I N 5.311 125.873 120.570 -0.013 0.000 2.330 220 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 220 I C 0.572 176.709 176.117 0.034 0.000 1.001 220 I CA -0.426 60.863 61.300 -0.018 0.000 1.193 220 I CB 1.143 39.129 38.000 -0.022 0.000 1.345 220 I HN 0.878 nan 8.210 nan 0.000 0.461 221 M N 3.917 123.549 119.600 0.053 0.000 2.417 221 M HA -0.139 4.341 4.480 -0.000 0.000 0.205 221 M C 0.281 176.632 176.300 0.084 0.000 0.452 221 M CA 0.209 55.548 55.300 0.064 0.000 0.512 221 M CB -0.696 31.923 32.600 0.032 0.000 1.774 221 M HN 0.891 nan 8.290 nan 0.000 0.874 222 G N 0.476 109.370 108.800 0.157 0.000 2.588 222 G HA2 0.476 4.436 3.960 -0.000 0.000 0.281 222 G HA3 0.476 4.436 3.960 -0.000 0.000 0.281 222 G C -0.179 174.745 174.900 0.040 0.000 1.236 222 G CA -0.152 45.023 45.100 0.126 0.000 0.969 222 G HN 0.386 nan 8.290 nan 0.000 0.504 223 T N 1.091 115.642 114.554 -0.006 0.000 2.871 223 T HA 0.159 4.509 4.350 -0.000 0.000 0.296 223 T C 1.207 175.842 174.700 -0.108 0.000 0.998 223 T CA 0.544 62.614 62.100 -0.051 0.000 1.162 223 T CB -0.009 68.827 68.868 -0.053 0.000 0.947 223 T HN 0.589 nan 8.240 nan 0.000 0.536 224 L N 1.898 123.062 121.223 -0.098 0.000 4.759 224 L HA -0.260 4.080 4.340 -0.000 0.000 0.419 224 L C 1.944 178.717 176.870 -0.161 0.000 1.093 224 L CA 0.786 55.549 54.840 -0.129 0.000 1.037 224 L CB -2.147 39.821 42.059 -0.153 0.000 2.095 224 L HN 0.833 nan 8.230 nan 0.000 0.739 225 S N -0.667 114.967 115.700 -0.110 0.000 2.561 225 S HA 0.402 4.872 4.470 -0.000 0.000 0.225 225 S C 0.974 175.568 174.600 -0.009 0.000 0.977 225 S CA 0.614 58.795 58.200 -0.032 0.000 0.926 225 S CB 0.851 64.145 63.200 0.158 0.000 0.769 225 S HN 1.261 nan 8.310 nan 0.000 0.533 226 G N -0.351 108.428 108.800 -0.035 0.000 2.944 226 G HA2 0.509 4.469 3.960 -0.000 0.000 0.471 226 G HA3 0.509 4.469 3.960 -0.000 0.000 0.471 226 G C 0.267 175.139 174.900 -0.047 0.000 1.388 226 G CA -0.469 44.609 45.100 -0.038 0.000 1.087 226 G HN 1.308 nan 8.290 nan 0.000 0.596 227 G N 0.869 109.637 108.800 -0.055 0.000 2.586 227 G HA2 0.420 4.380 3.960 -0.000 0.000 0.308 227 G HA3 0.420 4.380 3.960 -0.000 0.000 0.308 227 G C 1.083 175.946 174.900 -0.062 0.000 1.317 227 G CA 1.292 46.351 45.100 -0.068 0.000 0.922 227 G HN 2.631 nan 8.290 nan 0.000 0.551 228 G N -2.889 105.868 108.800 -0.072 0.000 5.515 228 G HA2 0.548 4.508 3.960 -0.000 0.000 0.198 228 G HA3 0.548 4.508 3.960 -0.000 0.000 0.198 228 G C 0.254 175.121 174.900 -0.054 0.000 0.858 228 G CA 1.290 46.359 45.100 -0.052 0.000 0.634 228 G HN 1.470 nan 8.290 nan 0.000 0.290 229 T N -0.866 113.624 114.554 -0.107 0.000 3.111 229 T HA 0.244 4.594 4.350 -0.000 0.000 0.236 229 T C 0.696 175.409 174.700 0.020 0.000 0.984 229 T CA 0.569 62.613 62.100 -0.093 0.000 1.195 229 T CB 0.031 68.778 68.868 -0.202 0.000 0.929 229 T HN 0.450 nan 8.240 nan 0.000 0.431 230 H N 0.810 119.871 119.070 -0.015 0.000 2.502 230 H HA 0.600 5.156 4.556 -0.000 0.000 0.327 230 H C -0.411 174.900 175.328 -0.029 0.000 1.099 230 H CA -1.093 54.939 56.048 -0.028 0.000 1.323 230 H CB 1.738 31.481 29.762 -0.032 0.000 1.450 230 H HN 0.085 nan 8.280 nan 0.000 0.502 231 V N 3.905 123.870 119.914 0.085 0.000 2.775 231 V HA 0.087 4.207 4.120 -0.000 0.000 0.299 231 V C 0.136 176.243 176.094 0.021 0.000 1.062 231 V CA -0.158 62.164 62.300 0.037 0.000 1.063 231 V CB 0.606 32.443 31.823 0.024 0.000 0.994 231 V HN 0.516 nan 8.190 nan 0.000 0.483 232 I N 4.887 125.469 120.570 0.021 0.000 2.488 232 I HA 0.490 4.660 4.170 -0.000 0.000 0.299 232 I C 0.181 176.302 176.117 0.007 0.000 0.984 232 I CA 0.541 61.847 61.300 0.010 0.000 1.250 232 I CB 2.034 40.038 38.000 0.006 0.000 1.389 232 I HN 0.809 nan 8.210 nan 0.000 0.488 233 S N 5.526 121.226 115.700 -0.000 0.000 2.632 233 S HA 0.768 5.238 4.470 -0.000 0.000 0.289 233 S C -0.777 173.821 174.600 -0.003 0.000 1.115 233 S CA -0.859 57.341 58.200 -0.001 0.000 0.889 233 S CB 1.649 64.848 63.200 -0.002 0.000 1.116 233 S HN 0.371 nan 8.310 nan 0.000 0.486 234 I N 1.320 121.887 120.570 -0.004 0.000 2.530 234 I HA 0.548 4.718 4.170 -0.000 0.000 0.297 234 I C 1.109 177.228 176.117 0.002 0.000 1.011 234 I CA -0.945 60.355 61.300 -0.001 0.000 1.107 234 I CB 1.991 39.987 38.000 -0.007 0.000 1.285 234 I HN 0.940 nan 8.210 nan 0.000 0.436 235 G N 4.724 113.528 108.800 0.007 0.000 2.580 235 G HA2 0.281 4.241 3.960 -0.000 0.000 0.225 235 G HA3 0.281 4.241 3.960 -0.000 0.000 0.225 235 G C -0.222 174.681 174.900 0.006 0.000 1.521 235 G CA -0.472 44.632 45.100 0.006 0.000 1.068 235 G HN 0.540 nan 8.290 nan 0.000 0.564 236 K N -0.058 120.346 120.400 0.006 0.000 2.118 236 K HA 0.421 4.741 4.320 -0.000 0.000 0.267 236 K C 0.042 176.646 176.600 0.007 0.000 0.991 236 K CA -0.502 55.789 56.287 0.006 0.000 0.916 236 K CB 1.299 33.802 32.500 0.005 0.000 1.041 236 K HN 0.487 nan 8.250 nan 0.000 0.455 237 R N -0.958 119.545 120.500 0.006 0.000 3.758 237 R HA -0.195 4.145 4.340 -0.000 0.000 0.299 237 R C -0.544 175.762 176.300 0.009 0.000 1.182 237 R CA 0.253 56.356 56.100 0.006 0.000 0.809 237 R CB -2.809 27.494 30.300 0.005 0.000 1.249 237 R HN 0.558 nan 8.270 nan 0.000 0.497 238 C N 0.655 119.961 119.300 0.010 0.000 2.443 238 C HA 0.644 5.104 4.460 -0.000 0.000 0.369 238 C C 0.797 175.794 174.990 0.011 0.000 1.241 238 C CA -0.537 58.490 59.018 0.016 0.000 2.413 238 C CB 0.722 28.473 27.740 0.018 0.000 2.451 238 C HN 0.324 nan 8.230 nan 0.000 0.595 239 L N 2.702 123.934 121.223 0.015 0.000 2.406 239 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 239 L C -0.799 176.075 176.870 0.006 0.000 0.980 239 L CA -0.285 54.560 54.840 0.008 0.000 0.831 239 L CB 0.790 42.855 42.059 0.009 0.000 1.253 239 L HN 0.447 nan 8.230 nan 0.000 0.406 240 L N 2.922 124.139 121.223 -0.009 0.000 2.272 240 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 240 L C 0.958 177.814 176.870 -0.022 0.000 1.032 240 L CA -0.407 54.418 54.840 -0.026 0.000 0.810 240 L CB 1.478 43.507 42.059 -0.049 0.000 1.205 240 L HN 0.738 nan 8.230 nan 0.000 0.422 241 G N 2.164 110.953 108.800 -0.019 0.000 2.636 241 G HA2 0.375 4.335 3.960 -0.000 0.000 0.246 241 G HA3 0.375 4.335 3.960 -0.000 0.000 0.246 241 G C 0.259 175.146 174.900 -0.021 0.000 1.216 241 G CA -0.250 44.842 45.100 -0.013 0.000 0.854 241 G HN 0.795 nan 8.290 nan 0.000 0.572 242 A N 0.879 123.693 122.820 -0.010 0.000 2.531 242 A HA 0.320 4.639 4.320 -0.000 0.000 0.236 242 A C 1.182 178.759 177.584 -0.013 0.000 1.062 242 A CA 0.501 52.533 52.037 -0.008 0.000 0.760 242 A CB -0.152 18.848 19.000 0.000 0.000 0.995 242 A HN 1.142 nan 8.150 nan 0.000 0.501 243 N N -0.766 117.927 118.700 -0.013 0.000 2.708 243 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 243 N C 0.365 175.855 175.510 -0.033 0.000 1.123 243 N CA 1.395 54.440 53.050 -0.007 0.000 0.739 243 N CB -1.944 36.549 38.487 0.010 0.000 1.113 243 N HN 1.102 nan 8.380 nan 0.000 0.561 244 S N -1.540 114.111 115.700 -0.082 0.000 2.694 244 S HA 0.856 5.326 4.470 -0.000 0.000 0.278 244 S C 0.688 175.064 174.600 -0.372 0.000 1.152 244 S CA 0.022 58.127 58.200 -0.157 0.000 1.010 244 S CB 2.514 65.634 63.200 -0.134 0.000 1.104 244 S HN 0.480 nan 8.310 nan 0.000 0.547 245 G N -0.985 107.390 108.800 -0.709 0.000 2.704 245 G HA2 0.573 4.533 3.960 -0.000 0.000 0.293 245 G HA3 0.573 4.533 3.960 -0.000 0.000 0.293 245 G C -2.214 172.082 174.900 -1.007 0.000 1.421 245 G CA -0.704 43.531 45.100 -1.443 0.000 0.870 245 G HN 0.861 nan 8.290 nan 0.000 0.492 246 L N 1.160 122.014 121.223 -0.615 0.000 2.439 246 L HA 0.774 5.114 4.340 -0.000 0.000 0.270 246 L C 0.575 177.414 176.870 -0.052 0.000 0.972 246 L CA -0.108 54.578 54.840 -0.257 0.000 0.836 246 L CB 2.043 43.984 42.059 -0.196 0.000 1.255 246 L HN 0.775 nan 8.230 nan 0.000 0.404 247 G N 5.646 114.446 108.800 -0.000 0.000 3.651 247 G HA2 0.370 4.330 3.960 -0.000 0.000 0.279 247 G HA3 0.370 4.330 3.960 -0.000 0.000 0.279 247 G C -0.029 174.859 174.900 -0.020 0.000 1.024 247 G CA 0.261 45.383 45.100 0.037 0.000 0.813 247 G HN 0.622 nan 8.290 nan 0.000 0.518 248 I N -3.687 116.846 120.570 -0.062 0.000 3.042 248 I HA 0.703 4.873 4.170 -0.000 0.000 0.310 248 I C -0.350 175.745 176.117 -0.036 0.000 1.117 248 I CA -1.067 60.206 61.300 -0.046 0.000 1.003 248 I CB 1.865 39.829 38.000 -0.060 0.000 1.228 248 I HN -0.245 nan 8.210 nan 0.000 0.443 249 S N 2.610 118.306 115.700 -0.007 0.000 2.585 249 S HA 0.597 5.067 4.470 -0.000 0.000 0.273 249 S C -0.244 174.365 174.600 0.015 0.000 1.339 249 S CA -0.463 57.738 58.200 0.001 0.000 1.028 249 S CB 0.657 63.863 63.200 0.010 0.000 0.906 249 S HN 0.362 nan 8.310 nan 0.000 0.528 250 L N 1.266 122.502 121.223 0.021 0.000 2.341 250 L HA 0.602 4.942 4.340 -0.000 0.000 0.267 250 L C 1.089 177.982 176.870 0.039 0.000 1.009 250 L CA -0.817 54.054 54.840 0.052 0.000 0.819 250 L CB 1.669 43.760 42.059 0.054 0.000 1.323 250 L HN 0.801 nan 8.230 nan 0.000 0.425 251 G N 0.240 109.067 108.800 0.046 0.000 3.086 251 G HA2 0.164 4.124 3.960 -0.000 0.000 0.159 251 G HA3 0.164 4.124 3.960 -0.000 0.000 0.159 251 G C -0.622 174.293 174.900 0.025 0.000 1.654 251 G CA -0.240 44.877 45.100 0.028 0.000 1.078 251 G HN 0.534 nan 8.290 nan 0.000 0.558 252 D N 0.210 120.622 120.400 0.019 0.000 2.277 252 D HA 0.324 4.963 4.640 -0.000 0.000 0.250 252 D C -0.379 175.931 176.300 0.017 0.000 1.032 252 D CA -0.177 53.832 54.000 0.015 0.000 0.947 252 D CB 1.148 41.953 40.800 0.009 0.000 1.159 252 D HN 0.362 nan 8.370 nan 0.000 0.460 253 D N -0.354 120.055 120.400 0.015 0.000 2.800 253 D HA -0.158 4.482 4.640 -0.000 0.000 0.232 253 D C -0.482 175.829 176.300 0.018 0.000 1.137 253 D CA 0.530 54.537 54.000 0.012 0.000 0.718 253 D CB -1.465 39.338 40.800 0.004 0.000 1.084 253 D HN 0.233 nan 8.370 nan 0.000 0.432 254 C N -0.193 119.128 119.300 0.035 0.000 2.399 254 C HA 0.779 5.239 4.460 -0.000 0.000 0.348 254 C C 0.735 175.765 174.990 0.067 0.000 1.183 254 C CA -0.655 58.400 59.018 0.062 0.000 2.023 254 C CB 2.260 30.069 27.740 0.115 0.000 2.361 254 C HN 0.149 nan 8.230 nan 0.000 0.521 255 V N 1.793 121.763 119.914 0.093 0.000 2.841 255 V HA 0.574 4.694 4.120 -0.000 0.000 0.310 255 V C -0.790 175.397 176.094 0.155 0.000 1.090 255 V CA -0.433 61.917 62.300 0.085 0.000 0.930 255 V CB 2.048 33.899 31.823 0.046 0.000 1.014 255 V HN 0.674 nan 8.190 nan 0.000 0.425 256 V N 3.415 123.390 119.914 0.103 0.000 2.409 256 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 256 V C 0.197 176.322 176.094 0.051 0.000 1.020 256 V CA -0.655 61.708 62.300 0.105 0.000 0.848 256 V CB 1.669 33.487 31.823 -0.008 0.000 0.990 256 V HN 1.034 nan 8.190 nan 0.000 0.430 257 E N 4.586 124.827 120.200 0.067 0.000 2.418 257 E HA 0.386 4.736 4.350 -0.000 0.000 0.261 257 E C 0.326 176.935 176.600 0.015 0.000 1.070 257 E CA -0.235 56.188 56.400 0.038 0.000 0.931 257 E CB 1.099 30.827 29.700 0.046 0.000 0.954 257 E HN 0.856 nan 8.360 nan 0.000 0.439 258 A N 2.668 125.493 122.820 0.009 0.000 2.565 258 A HA 0.361 4.681 4.320 -0.000 0.000 0.237 258 A C 1.284 178.872 177.584 0.006 0.000 1.053 258 A CA 0.609 52.647 52.037 0.001 0.000 0.755 258 A CB -0.697 18.305 19.000 0.004 0.000 0.980 258 A HN 1.323 nan 8.150 nan 0.000 0.506 259 G N 0.339 109.139 108.800 0.000 0.000 2.179 259 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.260 259 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.260 259 G C 0.012 174.928 174.900 0.026 0.000 0.977 259 G CA 0.518 45.627 45.100 0.015 0.000 0.641 259 G HN 1.777 nan 8.290 nan 0.000 0.533 260 L N 0.537 121.766 121.223 0.009 0.000 2.282 260 L HA 0.784 5.124 4.340 -0.000 0.000 0.288 260 L C -0.415 176.450 176.870 -0.009 0.000 1.033 260 L CA -1.818 53.038 54.840 0.028 0.000 0.807 260 L CB 0.995 43.075 42.059 0.036 0.000 1.209 260 L HN 0.164 nan 8.230 nan 0.000 0.423 261 Y N 4.697 124.983 120.300 -0.024 0.000 2.385 261 Y HA 0.509 5.059 4.550 -0.000 0.000 0.341 261 Y C -0.430 175.426 175.900 -0.074 0.000 0.965 261 Y CA -0.592 57.480 58.100 -0.046 0.000 1.180 261 Y CB 1.260 39.699 38.460 -0.036 0.000 1.139 261 Y HN 0.405 nan 8.280 nan 0.000 0.502 262 V N 6.247 126.167 119.914 0.011 0.000 2.334 262 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 262 V C 0.249 176.371 176.094 0.046 0.000 1.040 262 V CA -0.475 61.789 62.300 -0.060 0.000 0.866 262 V CB 0.768 32.347 31.823 -0.407 0.000 1.019 262 V HN 0.867 nan 8.190 nan 0.000 0.468 263 T N 2.186 116.789 114.554 0.082 0.000 2.927 263 T HA 0.601 4.951 4.350 -0.000 0.000 0.281 263 T C 1.400 176.096 174.700 -0.007 0.000 0.998 263 T CA 0.001 62.136 62.100 0.058 0.000 1.019 263 T CB 1.878 70.745 68.868 -0.001 0.000 1.061 263 T HN 0.583 nan 8.240 nan 0.000 0.518 264 A N 0.765 123.578 122.820 -0.012 0.000 1.978 264 A HA 0.164 4.484 4.320 -0.000 0.000 0.220 264 A C 2.184 179.761 177.584 -0.012 0.000 1.170 264 A CA 1.547 53.572 52.037 -0.019 0.000 0.636 264 A CB -1.362 17.624 19.000 -0.023 0.000 0.810 264 A HN 1.131 nan 8.150 nan 0.000 0.448 265 G N -1.358 107.433 108.800 -0.014 0.000 3.189 265 G HA2 0.312 4.272 3.960 -0.000 0.000 0.225 265 G HA3 0.312 4.272 3.960 -0.000 0.000 0.225 265 G C 0.321 175.220 174.900 -0.001 0.000 1.159 265 G CA 0.360 45.454 45.100 -0.010 0.000 0.763 265 G HN 0.314 nan 8.290 nan 0.000 0.549 266 T N 1.163 115.720 114.554 0.004 0.000 2.853 266 T HA 0.185 4.535 4.350 -0.000 0.000 0.298 266 T C 0.518 175.239 174.700 0.036 0.000 0.978 266 T CA -0.158 61.953 62.100 0.019 0.000 1.152 266 T CB 1.194 70.076 68.868 0.024 0.000 0.914 266 T HN 0.309 nan 8.240 nan 0.000 0.539 267 R N 3.094 123.616 120.500 0.036 0.000 2.347 267 R HA 0.402 4.742 4.340 -0.000 0.000 0.304 267 R C -0.314 176.025 176.300 0.064 0.000 1.072 267 R CA -0.461 55.666 56.100 0.044 0.000 0.980 267 R CB 0.188 30.506 30.300 0.030 0.000 0.986 267 R HN 0.540 nan 8.270 nan 0.000 0.448 268 V N 1.052 121.016 119.914 0.084 0.000 2.628 268 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 268 V C -0.408 175.726 176.094 0.066 0.000 1.045 268 V CA -0.705 61.659 62.300 0.107 0.000 0.905 268 V CB 2.053 34.000 31.823 0.207 0.000 0.997 268 V HN 0.693 nan 8.190 nan 0.000 0.436 269 T N 6.449 121.031 114.554 0.047 0.000 2.767 269 T HA 0.607 4.957 4.350 -0.000 0.000 0.284 269 T C -0.029 174.672 174.700 0.002 0.000 0.973 269 T CA -0.245 61.868 62.100 0.022 0.000 0.996 269 T CB 1.053 69.932 68.868 0.018 0.000 0.927 269 T HN 0.737 nan 8.240 nan 0.000 0.456 270 M N 3.415 123.011 119.600 -0.005 0.000 2.369 270 M HA 0.302 4.782 4.480 -0.000 0.000 0.291 270 M C -1.421 174.865 176.300 -0.025 0.000 1.178 270 M CA -2.385 52.900 55.300 -0.025 0.000 0.996 270 M CB 0.942 33.530 32.600 -0.020 0.000 1.472 270 M HN 0.272 nan 8.290 nan 0.000 0.496 271 P HA -0.142 nan 4.420 nan 0.000 0.218 271 P C 0.331 177.619 177.300 -0.019 0.000 1.149 271 P CA 1.176 64.258 63.100 -0.029 0.000 0.817 271 P CB -0.130 31.549 31.700 -0.036 0.000 0.785 272 D N -2.111 118.279 120.400 -0.016 0.000 2.363 272 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 272 D C 0.807 177.103 176.300 -0.007 0.000 1.020 272 D CA 0.649 54.643 54.000 -0.011 0.000 0.892 272 D CB -0.559 40.236 40.800 -0.009 0.000 0.900 272 D HN 0.017 nan 8.370 nan 0.000 0.531 273 S N -1.701 113.995 115.700 -0.007 0.000 2.205 273 S HA -0.189 4.281 4.470 -0.000 0.000 0.252 273 S C 0.312 174.912 174.600 0.001 0.000 1.223 273 S CA 0.323 58.521 58.200 -0.003 0.000 1.349 273 S CB -1.863 61.336 63.200 -0.002 0.000 1.671 273 S HN 0.542 nan 8.310 nan 0.000 0.604 274 N N 1.650 120.351 118.700 0.001 0.000 2.354 274 N HA 0.473 5.213 4.740 -0.000 0.000 0.246 274 N C -0.223 175.292 175.510 0.008 0.000 1.285 274 N CA 1.033 54.085 53.050 0.004 0.000 0.925 274 N CB 1.352 39.841 38.487 0.004 0.000 1.174 274 N HN 0.688 nan 8.380 nan 0.000 0.478 275 S N -0.753 114.954 115.700 0.013 0.000 2.595 275 S HA 0.720 5.190 4.470 -0.000 0.000 0.281 275 S C -0.797 173.817 174.600 0.024 0.000 1.117 275 S CA -0.747 57.466 58.200 0.021 0.000 0.873 275 S CB 1.825 65.038 63.200 0.022 0.000 1.108 275 S HN 0.350 nan 8.310 nan 0.000 0.477 276 V N 0.782 120.718 119.914 0.035 0.000 3.147 276 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 276 V C -1.514 174.609 176.094 0.049 0.000 1.209 276 V CA -0.983 61.340 62.300 0.037 0.000 1.023 276 V CB 2.229 34.075 31.823 0.039 0.000 1.059 276 V HN 1.021 nan 8.190 nan 0.000 0.435 277 K N 2.608 123.032 120.400 0.040 0.000 2.382 277 K HA 0.343 4.663 4.320 -0.000 0.000 0.275 277 K C 1.100 177.734 176.600 0.057 0.000 1.009 277 K CA 0.532 56.842 56.287 0.040 0.000 0.970 277 K CB 1.273 33.787 32.500 0.023 0.000 0.934 277 K HN 0.880 nan 8.250 nan 0.000 0.479 278 A N 3.912 126.767 122.820 0.058 0.000 2.019 278 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 278 A C 1.998 179.613 177.584 0.052 0.000 1.164 278 A CA 1.507 53.590 52.037 0.077 0.000 0.644 278 A CB -0.379 18.623 19.000 0.003 0.000 0.805 278 A HN 0.847 nan 8.150 nan 0.000 0.449 279 R N 0.226 120.741 120.500 0.026 0.000 2.159 279 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 279 R C 1.318 177.642 176.300 0.039 0.000 1.131 279 R CA 1.724 57.838 56.100 0.022 0.000 0.982 279 R CB -0.660 29.644 30.300 0.008 0.000 0.868 279 R HN 0.596 nan 8.270 nan 0.000 0.453 280 E N 0.933 121.161 120.200 0.046 0.000 2.409 280 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 280 E C 1.440 178.076 176.600 0.060 0.000 1.024 280 E CA 0.756 57.184 56.400 0.047 0.000 0.861 280 E CB 0.031 29.756 29.700 0.041 0.000 0.788 280 E HN 0.457 nan 8.360 nan 0.000 0.521 281 L N 0.268 121.543 121.223 0.088 0.000 2.640 281 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 281 L C 0.948 177.882 176.870 0.107 0.000 1.123 281 L CA -0.418 54.490 54.840 0.114 0.000 0.900 281 L CB 0.540 42.725 42.059 0.210 0.000 1.146 281 L HN -0.117 nan 8.230 nan 0.000 0.484 282 S N 0.431 116.176 115.700 0.075 0.000 2.563 282 S HA 0.244 4.714 4.470 -0.000 0.000 0.294 282 S C 1.338 175.969 174.600 0.052 0.000 1.279 282 S CA 1.006 59.240 58.200 0.056 0.000 1.069 282 S CB 0.346 63.569 63.200 0.040 0.000 0.828 282 S HN 0.663 nan 8.310 nan 0.000 0.497 283 G N 3.554 112.383 108.800 0.049 0.000 2.217 283 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.246 283 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.246 283 G C 0.297 175.222 174.900 0.041 0.000 0.990 283 G CA 0.210 45.332 45.100 0.037 0.000 0.627 283 G HN 0.887 nan 8.290 nan 0.000 0.522 284 S N 0.660 116.395 115.700 0.058 0.000 2.585 284 S HA 0.618 5.088 4.470 -0.000 0.000 0.273 284 S C 0.667 175.295 174.600 0.046 0.000 1.339 284 S CA 0.371 58.599 58.200 0.047 0.000 1.028 284 S CB 1.436 64.667 63.200 0.052 0.000 0.906 284 S HN 0.551 nan 8.310 nan 0.000 0.528 285 S N 1.982 117.697 115.700 0.024 0.000 2.722 285 S HA 0.430 4.900 4.470 -0.000 0.000 0.292 285 S C 0.269 174.871 174.600 0.002 0.000 1.135 285 S CA -0.887 57.324 58.200 0.018 0.000 1.003 285 S CB 0.527 63.733 63.200 0.010 0.000 1.067 285 S HN 0.792 nan 8.310 nan 0.000 0.546 286 N N 0.050 118.750 118.700 -0.001 0.000 2.776 286 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 286 N C -1.192 174.289 175.510 -0.049 0.000 1.111 286 N CA 0.485 53.523 53.050 -0.019 0.000 0.711 286 N CB -1.642 36.832 38.487 -0.022 0.000 1.065 286 N HN 0.455 nan 8.380 nan 0.000 0.556 287 L N 0.513 121.704 121.223 -0.053 0.000 2.317 287 L HA 0.591 4.931 4.340 -0.000 0.000 0.281 287 L C 0.267 177.038 176.870 -0.165 0.000 1.024 287 L CA -1.005 53.732 54.840 -0.171 0.000 0.810 287 L CB 1.611 43.523 42.059 -0.245 0.000 1.240 287 L HN 0.031 nan 8.230 nan 0.000 0.427 288 L N 2.820 123.894 121.223 -0.248 0.000 2.305 288 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 288 L C -1.259 175.438 176.870 -0.287 0.000 1.013 288 L CA 0.230 54.980 54.840 -0.150 0.000 0.819 288 L CB 1.025 43.035 42.059 -0.081 0.000 1.227 288 L HN 0.205 nan 8.230 nan 0.000 0.417 289 F N 5.175 125.120 119.950 -0.007 0.000 2.420 289 F HA 0.728 5.255 4.527 -0.000 0.000 0.342 289 F C 0.438 176.235 175.800 -0.004 0.000 1.113 289 F CA -0.310 57.688 58.000 -0.004 0.000 1.059 289 F CB 1.263 40.259 39.000 -0.006 0.000 1.128 289 F HN 0.576 nan 8.300 nan 0.000 0.475 290 R N 1.751 122.344 120.500 0.155 0.000 2.764 290 R HA 0.638 4.978 4.340 -0.000 0.000 0.270 290 R C -1.594 174.757 176.300 0.085 0.000 1.014 290 R CA -1.270 54.888 56.100 0.096 0.000 0.904 290 R CB 1.831 32.159 30.300 0.047 0.000 1.236 290 R HN 0.650 nan 8.270 nan 0.000 0.466 291 R N 1.764 122.302 120.500 0.063 0.000 2.255 291 R HA 0.171 4.511 4.340 -0.000 0.000 0.326 291 R C -0.619 175.702 176.300 0.035 0.000 0.986 291 R CA -0.618 55.513 56.100 0.051 0.000 0.847 291 R CB 0.958 31.287 30.300 0.048 0.000 1.111 291 R HN 0.695 nan 8.270 nan 0.000 0.452 292 N N 2.025 120.742 118.700 0.029 0.000 2.411 292 N HA -0.095 4.645 4.740 -0.000 0.000 0.261 292 N C 0.389 175.910 175.510 0.018 0.000 1.248 292 N CA 0.597 53.659 53.050 0.020 0.000 0.885 292 N CB 1.028 39.525 38.487 0.016 0.000 1.062 292 N HN 0.752 nan 8.380 nan 0.000 0.471 293 S N 1.962 117.671 115.700 0.014 0.000 2.558 293 S HA 0.019 4.489 4.470 -0.000 0.000 0.217 293 S C 1.536 176.143 174.600 0.011 0.000 0.975 293 S CA 0.045 58.253 58.200 0.013 0.000 0.912 293 S CB 0.270 63.477 63.200 0.012 0.000 0.776 293 S HN 0.353 nan 8.310 nan 0.000 0.526 294 V N 1.991 121.911 119.914 0.010 0.000 2.690 294 V HA 0.056 4.176 4.120 -0.000 0.000 0.240 294 V C 2.760 178.859 176.094 0.009 0.000 1.078 294 V CA 1.357 63.662 62.300 0.008 0.000 1.102 294 V CB -0.262 31.564 31.823 0.006 0.000 0.800 294 V HN 0.706 nan 8.190 nan 0.000 0.479 295 S N -0.004 115.702 115.700 0.010 0.000 2.503 295 S HA 0.248 4.718 4.470 -0.000 0.000 0.217 295 S C 1.758 176.366 174.600 0.013 0.000 0.999 295 S CA 0.925 59.132 58.200 0.010 0.000 0.914 295 S CB 0.656 63.862 63.200 0.010 0.000 0.782 295 S HN 1.184 nan 8.310 nan 0.000 0.520 296 G N 1.125 109.934 108.800 0.016 0.000 2.179 296 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.260 296 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.260 296 G C 0.263 175.178 174.900 0.025 0.000 0.977 296 G CA 0.028 45.140 45.100 0.020 0.000 0.641 296 G HN 1.330 nan 8.290 nan 0.000 0.533 297 A N 0.139 122.973 122.820 0.025 0.000 2.401 297 A HA 0.653 4.973 4.320 -0.000 0.000 0.259 297 A C 0.721 178.330 177.584 0.042 0.000 1.103 297 A CA 0.247 52.301 52.037 0.030 0.000 0.789 297 A CB 0.873 19.887 19.000 0.024 0.000 1.035 297 A HN 1.173 nan 8.150 nan 0.000 0.491 298 V N 3.521 123.468 119.914 0.056 0.000 2.508 298 V HA 0.172 4.292 4.120 -0.000 0.000 0.281 298 V C 0.376 176.521 176.094 0.085 0.000 1.041 298 V CA 0.335 62.685 62.300 0.084 0.000 1.016 298 V CB 0.104 31.989 31.823 0.104 0.000 0.984 298 V HN 0.968 nan 8.190 nan 0.000 0.478 299 E N 2.854 123.102 120.200 0.080 0.000 2.277 299 E HA 0.706 5.056 4.350 -0.000 0.000 0.266 299 E C -1.367 175.225 176.600 -0.014 0.000 0.901 299 E CA -0.771 55.648 56.400 0.032 0.000 0.782 299 E CB 2.983 32.686 29.700 0.005 0.000 1.228 299 E HN 0.427 nan 8.360 nan 0.000 0.424 300 V N 3.157 123.004 119.914 -0.112 0.000 2.588 300 V HA 0.509 4.629 4.120 -0.000 0.000 0.304 300 V C -1.676 174.279 176.094 -0.232 0.000 1.042 300 V CA -0.531 61.566 62.300 -0.338 0.000 0.877 300 V CB 1.225 32.743 31.823 -0.508 0.000 0.996 300 V HN 0.450 nan 8.190 nan 0.000 0.425 301 L N 5.296 126.372 121.223 -0.244 0.000 2.354 301 L HA 0.866 5.206 4.340 -0.000 0.000 0.264 301 L C 0.331 177.108 176.870 -0.155 0.000 1.008 301 L CA -0.263 54.487 54.840 -0.150 0.000 0.819 301 L CB 1.871 43.869 42.059 -0.102 0.000 1.339 301 L HN 0.772 nan 8.230 nan 0.000 0.420 302 A N 1.363 124.121 122.820 -0.105 0.000 2.401 302 A HA 0.439 4.759 4.320 -0.000 0.000 0.259 302 A C 0.807 178.352 177.584 -0.065 0.000 1.103 302 A CA -0.113 51.874 52.037 -0.083 0.000 0.789 302 A CB 0.132 19.097 19.000 -0.058 0.000 1.035 302 A HN 0.813 nan 8.150 nan 0.000 0.491 303 R N 0.563 121.030 120.500 -0.056 0.000 2.334 303 R HA 0.016 4.356 4.340 -0.000 0.000 0.216 303 R C -0.203 176.081 176.300 -0.027 0.000 0.905 303 R CA 0.807 56.884 56.100 -0.039 0.000 1.064 303 R CB 0.346 30.627 30.300 -0.032 0.000 1.046 303 R HN 0.883 nan 8.270 nan 0.000 0.508 304 D N -1.240 119.144 120.400 -0.027 0.000 2.440 304 D HA 0.086 4.726 4.640 -0.000 0.000 0.216 304 D C 1.066 177.355 176.300 -0.018 0.000 1.150 304 D CA 0.350 54.339 54.000 -0.019 0.000 0.832 304 D CB 0.505 41.295 40.800 -0.017 0.000 0.992 304 D HN 0.129 nan 8.370 nan 0.000 0.502 305 G N 0.702 109.489 108.800 -0.022 0.000 2.189 305 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 305 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 305 G C 1.104 175.991 174.900 -0.020 0.000 0.975 305 G CA 0.564 45.652 45.100 -0.020 0.000 0.644 305 G HN 0.353 nan 8.290 nan 0.000 0.537 306 Q N -0.299 119.488 119.800 -0.022 0.000 2.259 306 Q HA 0.407 4.747 4.340 -0.000 0.000 0.201 306 Q C 1.503 177.489 176.000 -0.023 0.000 0.938 306 Q CA 1.708 57.499 55.803 -0.020 0.000 0.872 306 Q CB 0.385 29.113 28.738 -0.017 0.000 0.971 306 Q HN 1.851 nan 8.270 nan 0.000 0.494 307 G N 0.603 109.385 108.800 -0.030 0.000 2.497 307 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 307 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 307 G C -0.954 173.925 174.900 -0.034 0.000 1.288 307 G CA -0.764 44.316 45.100 -0.033 0.000 0.899 307 G HN 0.089 nan 8.290 nan 0.000 0.608 308 I N 0.867 121.415 120.570 -0.037 0.000 2.577 308 I HA 0.619 4.789 4.170 -0.000 0.000 0.300 308 I C 0.896 176.998 176.117 -0.025 0.000 0.990 308 I CA -0.132 61.144 61.300 -0.041 0.000 1.283 308 I CB 1.735 39.702 38.000 -0.056 0.000 1.411 308 I HN 1.075 nan 8.210 nan 0.000 0.515 309 A N 6.269 129.077 122.820 -0.020 0.000 2.359 309 A HA 0.762 5.082 4.320 -0.000 0.000 0.303 309 A C -0.901 176.685 177.584 0.003 0.000 1.066 309 A CA -0.483 51.550 52.037 -0.007 0.000 0.730 309 A CB 0.880 19.877 19.000 -0.005 0.000 1.211 309 A HN 0.500 nan 8.150 nan 0.000 0.439 310 L N 0.000 121.228 121.223 0.008 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.851 54.840 0.019 0.000 0.813 310 L CB 0.000 42.072 42.059 0.021 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502