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 2p5z_1_X DATA FIRST_RESID 15 DATA SEQUENCE HKLKIRGLQS PVDVLTFEGR EQLSTPFRYD IQFTSSDKAI APESVLMQDG DATA SEQUENCE AFSLTAXXXX XXXXXXALRT LHGVITGFKH LSSSQDEARY EVRLEPRMAL DATA SEQUENCE LTRSRQNAIY QNQTVPQIVE KILRERHQMR GQDFVFNLKS EYPAREQVMQ DATA SEQUENCE YGEDDLTFVS RLLSEVGIWF RFATDARLKI EVIEFYDDQS GYERGLTLPL DATA SEQUENCE RXXXXXXXXX TEAVWGLNTA YSVXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXSGA FYARIRHERY LNEQAILKGQ DATA SEQUENCE STSSLLMPGL EIKVQGDDAP AVFRKGVLIT GVTTSAARDR SYELTFTAIP DATA SEQUENCE YSERYGYRPA LIPRPVMAGT LPARVTSXXX XDIYAHIDKD GRYRVNLDFX DATA SEQUENCE RDTWKPGYES LWVRXXXXXX XXXXXXXXXL LAGTEVSIAF EEGNPDRPYI DATA SEQUENCE AGVK 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 15 H HA 0.000 nan 4.556 nan 0.000 0.296 15 H C 0.000 175.220 175.328 -0.180 0.000 0.993 15 H CA 0.000 55.929 56.048 -0.198 0.000 1.023 15 H CB 0.000 29.746 29.762 -0.027 0.000 1.292 16 K N 2.620 122.877 120.400 -0.238 0.000 2.318 16 K HA 0.558 4.878 4.320 0.000 0.000 0.249 16 K C -1.169 175.349 176.600 -0.137 0.000 0.942 16 K CA -1.024 55.175 56.287 -0.145 0.000 0.808 16 K CB 3.118 35.528 32.500 -0.150 0.000 1.189 16 K HN 0.331 nan 8.250 nan 0.000 0.428 17 L N 2.489 123.702 121.223 -0.016 0.000 2.406 17 L HA 0.415 4.756 4.340 0.000 0.000 0.272 17 L C -1.329 175.492 176.870 -0.080 0.000 0.980 17 L CA -0.599 54.261 54.840 0.033 0.000 0.831 17 L CB 1.520 43.615 42.059 0.060 0.000 1.253 17 L HN 0.573 nan 8.230 nan 0.000 0.406 18 K N 5.827 126.185 120.400 -0.070 0.000 2.358 18 K HA 0.579 4.899 4.320 0.000 0.000 0.260 18 K C -1.048 175.512 176.600 -0.066 0.000 0.956 18 K CA -0.458 55.782 56.287 -0.079 0.000 0.834 18 K CB 2.085 34.550 32.500 -0.058 0.000 1.102 18 K HN 0.505 nan 8.250 nan 0.000 0.431 19 I N 3.631 124.147 120.570 -0.090 0.000 2.355 19 I HA 0.266 4.436 4.170 0.000 0.000 0.288 19 I C 0.313 176.397 176.117 -0.055 0.000 0.999 19 I CA -0.852 60.407 61.300 -0.068 0.000 1.163 19 I CB 1.382 39.326 38.000 -0.094 0.000 1.316 19 I HN 0.460 nan 8.210 nan 0.000 0.454 20 R N 5.608 126.090 120.500 -0.030 0.000 2.504 20 R HA 0.122 4.462 4.340 0.000 0.000 0.291 20 R C 0.938 177.218 176.300 -0.034 0.000 0.974 20 R CA 1.327 57.412 56.100 -0.025 0.000 1.077 20 R CB 0.086 30.381 30.300 -0.008 0.000 0.926 20 R HN 1.013 nan 8.270 nan 0.000 0.407 21 G N 3.045 111.824 108.800 -0.035 0.000 2.175 21 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 21 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 21 G C -0.430 174.443 174.900 -0.046 0.000 0.982 21 G CA 0.065 45.144 45.100 -0.036 0.000 0.641 21 G HN 0.551 nan 8.290 nan 0.000 0.527 22 L N 1.369 122.558 121.223 -0.057 0.000 2.257 22 L HA 0.576 4.916 4.340 0.000 0.000 0.290 22 L C 1.446 178.284 176.870 -0.055 0.000 1.044 22 L CA -0.113 54.686 54.840 -0.068 0.000 0.810 22 L CB 0.968 42.970 42.059 -0.096 0.000 1.193 22 L HN 0.273 nan 8.230 nan 0.000 0.425 23 Q N 1.593 121.368 119.800 -0.042 0.000 2.163 23 Q HA 0.074 4.414 4.340 0.000 0.000 0.198 23 Q C 0.330 176.319 176.000 -0.019 0.000 0.954 23 Q CA 0.385 56.172 55.803 -0.026 0.000 0.851 23 Q CB 0.060 28.788 28.738 -0.017 0.000 0.928 23 Q HN 0.755 nan 8.270 nan 0.000 0.459 24 S N 3.527 119.215 115.700 -0.021 0.000 2.575 24 S HA 0.052 4.522 4.470 0.000 0.000 0.295 24 S C -2.170 172.432 174.600 0.002 0.000 1.267 24 S CA -0.742 57.460 58.200 0.003 0.000 1.074 24 S CB 0.141 63.340 63.200 -0.001 0.000 0.829 24 S HN 0.144 nan 8.310 nan 0.000 0.497 25 P HA 0.142 nan 4.420 nan 0.000 0.268 25 P C -0.941 176.391 177.300 0.053 0.000 1.204 25 P CA -0.196 62.923 63.100 0.032 0.000 0.768 25 P CB 0.436 32.170 31.700 0.057 0.000 0.842 26 V N 3.648 123.550 119.914 -0.021 0.000 2.376 26 V HA 0.237 4.357 4.120 0.000 0.000 0.287 26 V C -0.216 175.892 176.094 0.024 0.000 1.015 26 V CA -0.151 62.092 62.300 -0.096 0.000 0.834 26 V CB 1.422 32.957 31.823 -0.481 0.000 1.001 26 V HN 0.492 nan 8.190 nan 0.000 0.428 27 D N 3.939 124.457 120.400 0.196 0.000 2.440 27 D HA 0.359 4.999 4.640 0.000 0.000 0.239 27 D C -0.349 176.115 176.300 0.272 0.000 1.084 27 D CA -0.266 53.847 54.000 0.187 0.000 0.843 27 D CB 1.967 42.866 40.800 0.166 0.000 1.097 27 D HN 0.258 nan 8.370 nan 0.000 0.531 28 V N 5.453 125.515 119.914 0.246 0.000 2.450 28 V HA -0.023 4.098 4.120 0.000 0.000 0.281 28 V C 1.395 177.659 176.094 0.284 0.000 1.019 28 V CA -0.055 62.437 62.300 0.320 0.000 1.062 28 V CB 0.694 32.733 31.823 0.360 0.000 0.979 28 V HN 0.557 nan 8.190 nan 0.000 0.477 29 L N 5.215 126.601 121.223 0.271 0.000 2.051 29 L HA 0.279 4.619 4.340 0.000 0.000 0.202 29 L C 1.116 178.095 176.870 0.182 0.000 1.097 29 L CA 1.869 56.822 54.840 0.188 0.000 0.762 29 L CB 0.077 42.217 42.059 0.135 0.000 0.913 29 L HN 0.734 nan 8.230 nan 0.000 0.447 30 T N -1.337 113.322 114.554 0.176 0.000 2.896 30 T HA 0.548 4.898 4.350 0.000 0.000 0.297 30 T C -1.411 173.415 174.700 0.210 0.000 1.108 30 T CA -0.477 61.703 62.100 0.133 0.000 1.004 30 T CB 1.065 69.953 68.868 0.032 0.000 1.159 30 T HN 0.166 nan 8.240 nan 0.000 0.499 31 F N 0.702 120.666 119.950 0.024 0.000 2.626 31 F HA 0.884 5.411 4.527 -0.000 0.000 0.311 31 F C -1.049 174.710 175.800 -0.069 0.000 1.088 31 F CA -0.989 56.993 58.000 -0.030 0.000 0.949 31 F CB 1.742 40.702 39.000 -0.067 0.000 1.322 31 F HN 0.576 nan 8.300 nan 0.000 0.461 32 E N 1.088 121.332 120.200 0.074 0.000 2.263 32 E HA 0.640 4.990 4.350 0.000 0.000 0.268 32 E C -1.008 175.508 176.600 -0.139 0.000 0.884 32 E CA -0.888 55.462 56.400 -0.084 0.000 0.766 32 E CB 2.095 31.732 29.700 -0.106 0.000 1.196 32 E HN 1.113 nan 8.360 nan 0.000 0.416 33 G N 2.819 111.404 108.800 -0.357 0.000 2.519 33 G HA2 0.683 4.643 3.960 0.000 0.000 0.307 33 G HA3 0.683 4.643 3.960 0.000 0.000 0.307 33 G C -1.123 173.456 174.900 -0.535 0.000 1.266 33 G CA -0.705 43.735 45.100 -1.099 0.000 0.970 33 G HN 0.415 nan 8.290 nan 0.000 0.481 34 R N 0.527 120.809 120.500 -0.362 0.000 2.538 34 R HA 0.460 4.800 4.340 0.000 0.000 0.292 34 R C -0.958 175.409 176.300 0.112 0.000 1.008 34 R CA -0.543 55.517 56.100 -0.068 0.000 0.896 34 R CB 2.608 32.890 30.300 -0.030 0.000 1.187 34 R HN 0.583 nan 8.270 nan 0.000 0.440 35 E N 1.840 122.122 120.200 0.136 0.000 2.266 35 E HA 0.391 4.741 4.350 0.000 0.000 0.268 35 E C -1.361 175.315 176.600 0.126 0.000 0.879 35 E CA -0.924 55.600 56.400 0.207 0.000 0.762 35 E CB 3.021 32.849 29.700 0.213 0.000 1.199 35 E HN 0.328 nan 8.360 nan 0.000 0.422 36 Q N 2.358 122.237 119.800 0.132 0.000 2.438 36 Q HA 0.261 4.601 4.340 0.000 0.000 0.272 36 Q C -1.424 174.590 176.000 0.024 0.000 0.994 36 Q CA -0.591 55.240 55.803 0.047 0.000 0.887 36 Q CB 1.465 30.228 28.738 0.041 0.000 1.432 36 Q HN 0.556 nan 8.270 nan 0.000 0.392 37 L N 2.312 123.470 121.223 -0.109 0.000 2.543 37 L HA -0.008 4.332 4.340 0.000 0.000 0.285 37 L C 0.594 177.339 176.870 -0.207 0.000 1.236 37 L CA 0.745 55.464 54.840 -0.202 0.000 0.871 37 L CB 0.240 41.942 42.059 -0.596 0.000 1.121 37 L HN 0.981 nan 8.230 nan 0.000 0.501 38 S N 0.078 115.431 115.700 -0.577 0.000 3.521 38 S HA -0.184 4.286 4.470 0.000 0.000 0.328 38 S C 0.064 174.266 174.600 -0.664 0.000 1.165 38 S CA 1.373 58.859 58.200 -1.190 0.000 0.941 38 S CB -1.085 61.922 63.200 -0.321 0.000 0.951 38 S HN 0.959 nan 8.310 nan 0.000 0.539 39 T N 0.506 114.908 114.554 -0.254 0.000 2.923 39 T HA 0.584 4.934 4.350 0.000 0.000 0.311 39 T C -3.318 171.616 174.700 0.390 0.000 1.183 39 T CA -1.716 60.482 62.100 0.164 0.000 1.020 39 T CB 2.137 71.066 68.868 0.102 0.000 1.165 39 T HN -0.115 nan 8.240 nan 0.000 0.482 40 P HA 0.285 nan 4.420 nan 0.000 0.276 40 P C 0.016 177.258 177.300 -0.097 0.000 1.230 40 P CA -0.421 62.717 63.100 0.064 0.000 0.776 40 P CB 0.016 31.679 31.700 -0.061 0.000 0.888 41 F N 1.308 121.158 119.950 -0.167 0.000 2.535 41 F HA 0.448 4.975 4.527 0.000 0.000 0.332 41 F C 0.579 176.393 175.800 0.023 0.000 1.208 41 F CA -0.622 57.361 58.000 -0.028 0.000 1.330 41 F CB 0.237 39.241 39.000 0.006 0.000 1.167 41 F HN 0.285 nan 8.300 nan 0.000 0.597 42 R N 1.446 122.181 120.500 0.393 0.000 2.533 42 R HA 0.423 4.763 4.340 0.000 0.000 0.288 42 R C -2.434 174.055 176.300 0.314 0.000 1.039 42 R CA -0.756 55.505 56.100 0.268 0.000 0.909 42 R CB 1.095 31.452 30.300 0.096 0.000 1.195 42 R HN 0.794 nan 8.270 nan 0.000 0.438 43 Y N 2.233 122.586 120.300 0.090 0.000 2.332 43 Y HA 0.276 4.826 4.550 -0.000 0.000 0.326 43 Y C -0.679 175.198 175.900 -0.039 0.000 0.978 43 Y CA -0.935 57.157 58.100 -0.013 0.000 1.205 43 Y CB 1.901 40.258 38.460 -0.172 0.000 1.131 43 Y HN 0.466 nan 8.280 nan 0.000 0.462 44 D N 5.661 126.094 120.400 0.056 0.000 2.347 44 D HA 0.364 5.004 4.640 0.000 0.000 0.235 44 D C -0.358 175.986 176.300 0.074 0.000 1.149 44 D CA 0.163 54.197 54.000 0.056 0.000 0.850 44 D CB 1.434 42.251 40.800 0.028 0.000 1.061 44 D HN 0.431 nan 8.370 nan 0.000 0.487 45 I N 2.309 122.928 120.570 0.081 0.000 2.382 45 I HA 0.127 4.297 4.170 0.000 0.000 0.286 45 I C 0.393 176.645 176.117 0.226 0.000 1.002 45 I CA -0.642 60.724 61.300 0.110 0.000 1.135 45 I CB 1.496 39.477 38.000 -0.033 0.000 1.288 45 I HN -0.019 nan 8.210 nan 0.000 0.448 46 Q N 6.025 125.955 119.800 0.216 0.000 2.230 46 Q HA 0.633 4.973 4.340 0.000 0.000 0.248 46 Q C -1.110 175.086 176.000 0.326 0.000 0.915 46 Q CA -0.477 55.434 55.803 0.179 0.000 0.900 46 Q CB 2.168 30.954 28.738 0.079 0.000 1.229 46 Q HN 0.580 nan 8.270 nan 0.000 0.439 47 F N -2.052 117.984 119.950 0.142 0.000 2.662 47 F HA 0.678 5.205 4.527 0.000 0.000 0.312 47 F C -0.782 175.117 175.800 0.165 0.000 1.113 47 F CA -1.091 57.004 58.000 0.158 0.000 0.951 47 F CB 1.163 40.262 39.000 0.166 0.000 1.344 47 F HN 0.398 nan 8.300 nan 0.000 0.462 48 T N -0.682 114.073 114.554 0.335 0.000 2.940 48 T HA 0.747 5.097 4.350 0.000 0.000 0.288 48 T C -0.769 174.155 174.700 0.373 0.000 1.033 48 T CA -0.746 61.484 62.100 0.217 0.000 1.033 48 T CB 1.589 70.531 68.868 0.124 0.000 1.079 48 T HN 0.987 nan 8.240 nan 0.000 0.496 49 S N -0.383 115.503 115.700 0.311 0.000 2.556 49 S HA 0.463 4.933 4.470 0.000 0.000 0.271 49 S C 0.923 175.648 174.600 0.207 0.000 1.135 49 S CA -0.571 57.813 58.200 0.308 0.000 0.858 49 S CB 1.495 64.942 63.200 0.412 0.000 1.114 49 S HN 0.736 nan 8.310 nan 0.000 0.468 50 S N 1.561 117.353 115.700 0.153 0.000 2.423 50 S HA -0.017 4.453 4.470 0.000 0.000 0.231 50 S C 0.506 175.180 174.600 0.122 0.000 1.014 50 S CA 0.503 58.771 58.200 0.113 0.000 0.965 50 S CB -0.329 62.922 63.200 0.084 0.000 0.785 50 S HN 0.783 nan 8.310 nan 0.000 0.495 51 D N 2.192 122.679 120.400 0.145 0.000 2.346 51 D HA 0.096 4.736 4.640 0.000 0.000 0.260 51 D C 0.308 176.745 176.300 0.227 0.000 1.252 51 D CA 0.114 54.202 54.000 0.145 0.000 0.895 51 D CB 0.527 41.389 40.800 0.102 0.000 1.097 51 D HN 0.171 nan 8.370 nan 0.000 0.489 52 K N 2.362 122.879 120.400 0.195 0.000 2.469 52 K HA 0.261 4.581 4.320 0.000 0.000 0.201 52 K C 0.215 177.011 176.600 0.327 0.000 1.028 52 K CA -0.127 56.301 56.287 0.234 0.000 1.170 52 K CB 0.744 33.341 32.500 0.162 0.000 0.874 52 K HN 0.308 nan 8.250 nan 0.000 0.507 53 A N 1.390 124.387 122.820 0.296 0.000 3.165 53 A HA 0.265 4.585 4.320 0.000 0.000 0.212 53 A C -0.161 177.546 177.584 0.205 0.000 0.935 53 A CA -0.612 51.597 52.037 0.286 0.000 1.100 53 A CB -0.002 19.109 19.000 0.185 0.000 1.260 53 A HN 0.156 nan 8.150 nan 0.000 0.532 54 I N 1.727 122.397 120.570 0.167 0.000 2.662 54 I HA 0.176 4.346 4.170 0.000 0.000 0.285 54 I C 1.007 177.147 176.117 0.039 0.000 1.161 54 I CA 0.231 61.507 61.300 -0.040 0.000 1.415 54 I CB 1.040 38.812 38.000 -0.382 0.000 1.385 54 I HN 0.487 nan 8.210 nan 0.000 0.552 55 A N 9.785 132.558 122.820 -0.078 0.000 2.331 55 A HA 0.458 4.778 4.320 0.000 0.000 0.283 55 A C -1.253 176.135 177.584 -0.326 0.000 1.142 55 A CA -1.507 50.486 52.037 -0.072 0.000 0.812 55 A CB 0.299 19.279 19.000 -0.032 0.000 1.074 55 A HN 0.569 nan 8.150 nan 0.000 0.497 56 P HA -0.253 nan 4.420 nan 0.000 0.216 56 P C 0.985 178.125 177.300 -0.266 0.000 1.150 56 P CA 1.689 64.550 63.100 -0.398 0.000 0.843 56 P CB 0.086 31.828 31.700 0.070 0.000 0.787 57 E N 0.318 120.434 120.200 -0.140 0.000 2.204 57 E HA -0.104 4.246 4.350 0.000 0.000 0.195 57 E C 1.583 178.113 176.600 -0.117 0.000 0.990 57 E CA 1.122 57.466 56.400 -0.093 0.000 0.821 57 E CB -1.273 28.398 29.700 -0.047 0.000 0.750 57 E HN 0.265 nan 8.360 nan 0.000 0.477 58 S N 0.184 115.782 115.700 -0.170 0.000 2.561 58 S HA 0.058 4.528 4.470 0.000 0.000 0.225 58 S C 1.793 176.289 174.600 -0.173 0.000 0.977 58 S CA 0.541 58.648 58.200 -0.155 0.000 0.926 58 S CB 0.474 63.576 63.200 -0.164 0.000 0.769 58 S HN 0.117 nan 8.310 nan 0.000 0.533 59 V N 0.094 119.873 119.914 -0.226 0.000 3.103 59 V HA 0.286 4.406 4.120 0.000 0.000 0.229 59 V C 0.284 176.320 176.094 -0.097 0.000 1.304 59 V CA -0.003 62.178 62.300 -0.198 0.000 1.298 59 V CB 0.066 31.671 31.823 -0.363 0.000 1.093 59 V HN 0.293 nan 8.190 nan 0.000 0.489 60 L N 2.450 123.618 121.223 -0.091 0.000 2.499 60 L HA 0.099 4.439 4.340 0.000 0.000 0.273 60 L C 1.067 177.933 176.870 -0.007 0.000 1.195 60 L CA 0.367 55.201 54.840 -0.011 0.000 0.882 60 L CB 0.578 42.642 42.059 0.009 0.000 1.133 60 L HN 0.368 nan 8.230 nan 0.000 0.483 61 M N -0.571 119.036 119.600 0.012 0.000 2.920 61 M HA -0.218 4.262 4.480 0.000 0.000 0.186 61 M C 0.192 176.496 176.300 0.007 0.000 0.634 61 M CA 1.092 56.399 55.300 0.012 0.000 0.709 61 M CB -1.539 31.069 32.600 0.013 0.000 2.552 61 M HN 0.689 nan 8.290 nan 0.000 0.289 62 Q N 1.621 121.419 119.800 -0.003 0.000 2.421 62 Q HA 0.225 4.565 4.340 0.000 0.000 0.255 62 Q C 0.076 176.082 176.000 0.010 0.000 1.013 62 Q CA 0.318 56.119 55.803 -0.004 0.000 0.895 62 Q CB 0.435 29.159 28.738 -0.024 0.000 1.271 62 Q HN 0.230 nan 8.270 nan 0.000 0.460 63 D N 0.126 120.536 120.400 0.016 0.000 2.399 63 D HA 0.429 5.069 4.640 0.000 0.000 0.241 63 D C -0.001 176.318 176.300 0.032 0.000 1.133 63 D CA 0.451 54.472 54.000 0.035 0.000 0.890 63 D CB 0.793 41.618 40.800 0.041 0.000 1.201 63 D HN 0.569 nan 8.370 nan 0.000 0.432 64 G N -0.836 107.995 108.800 0.052 0.000 2.682 64 G HA2 0.669 4.629 3.960 0.000 0.000 0.300 64 G HA3 0.669 4.629 3.960 0.000 0.000 0.300 64 G C -1.606 173.314 174.900 0.035 0.000 1.391 64 G CA -0.663 44.456 45.100 0.031 0.000 0.990 64 G HN 0.525 nan 8.290 nan 0.000 0.501 65 A N 0.867 123.678 122.820 -0.015 0.000 2.374 65 A HA 0.788 5.108 4.320 0.000 0.000 0.305 65 A C -1.867 175.664 177.584 -0.088 0.000 1.053 65 A CA -0.630 51.329 52.037 -0.131 0.000 0.726 65 A CB 1.563 20.471 19.000 -0.153 0.000 1.229 65 A HN 1.194 nan 8.150 nan 0.000 0.431 66 F N 2.449 122.192 119.950 -0.344 0.000 2.507 66 F HA 0.677 5.204 4.527 0.000 0.000 0.328 66 F C -0.198 175.392 175.800 -0.350 0.000 1.136 66 F CA -0.267 57.534 58.000 -0.330 0.000 0.930 66 F CB 2.018 40.780 39.000 -0.397 0.000 1.166 66 F HN 0.476 nan 8.300 nan 0.000 0.436 67 S N 5.952 121.127 115.700 -0.875 0.000 2.566 67 S HA 0.629 5.099 4.470 0.000 0.000 0.298 67 S C -1.578 172.600 174.600 -0.703 0.000 1.083 67 S CA -0.760 57.049 58.200 -0.650 0.000 0.978 67 S CB 2.045 65.008 63.200 -0.395 0.000 1.073 67 S HN 0.630 nan 8.310 nan 0.000 0.491 68 L N 3.017 123.962 121.223 -0.464 0.000 2.264 68 L HA 0.488 4.828 4.340 0.000 0.000 0.289 68 L C -0.174 176.488 176.870 -0.346 0.000 1.044 68 L CA 0.066 54.672 54.840 -0.390 0.000 0.807 68 L CB 0.223 42.076 42.059 -0.344 0.000 1.192 68 L HN 0.781 nan 8.230 nan 0.000 0.425 69 T N 4.380 118.714 114.554 -0.368 0.000 2.897 69 T HA 0.688 5.038 4.350 0.000 0.000 0.294 69 T C 0.471 175.048 174.700 -0.205 0.000 1.004 69 T CA -0.153 61.795 62.100 -0.252 0.000 1.106 69 T CB 1.164 69.899 68.868 -0.222 0.000 0.949 69 T HN 0.833 nan 8.240 nan 0.000 0.520 82 L N 0.188 121.328 121.223 -0.140 0.000 2.127 82 L HA 0.412 4.752 4.340 0.000 0.000 0.203 82 L C 0.988 177.789 176.870 -0.116 0.000 1.080 82 L CA 2.026 56.793 54.840 -0.121 0.000 0.768 82 L CB -0.294 41.682 42.059 -0.139 0.000 0.924 82 L HN 0.512 nan 8.230 nan 0.000 0.444 83 R N -1.723 118.684 120.500 -0.156 0.000 2.561 83 R HA 0.433 4.773 4.340 0.000 0.000 0.266 83 R C -1.543 174.627 176.300 -0.216 0.000 1.091 83 R CA -0.234 55.778 56.100 -0.147 0.000 0.927 83 R CB 1.379 31.603 30.300 -0.126 0.000 1.240 83 R HN -0.033 nan 8.270 nan 0.000 0.449 84 T N 4.107 118.536 114.554 -0.207 0.000 2.863 84 T HA 0.455 4.805 4.350 0.000 0.000 0.285 84 T C -1.018 173.470 174.700 -0.354 0.000 1.009 84 T CA -0.817 61.092 62.100 -0.319 0.000 0.989 84 T CB 1.349 70.012 68.868 -0.342 0.000 1.004 84 T HN 0.140 nan 8.240 nan 0.000 0.455 85 L N 3.994 124.950 121.223 -0.445 0.000 2.265 85 L HA 0.381 4.721 4.340 0.000 0.000 0.289 85 L C 0.212 176.870 176.870 -0.352 0.000 1.033 85 L CA -0.394 54.156 54.840 -0.484 0.000 0.814 85 L CB 0.361 41.945 42.059 -0.792 0.000 1.203 85 L HN 0.673 nan 8.230 nan 0.000 0.423 86 H N 1.995 121.064 119.070 -0.002 0.000 2.463 86 H HA 0.777 5.333 4.556 0.000 0.000 0.332 86 H C 0.358 175.797 175.328 0.186 0.000 1.127 86 H CA -0.161 55.933 56.048 0.077 0.000 1.238 86 H CB 2.298 32.098 29.762 0.062 0.000 1.478 86 H HN 0.781 nan 8.280 nan 0.000 0.499 87 G N 0.825 109.766 108.800 0.234 0.000 2.428 87 G HA2 0.368 4.328 3.960 0.000 0.000 0.305 87 G HA3 0.368 4.328 3.960 0.000 0.000 0.305 87 G C -1.259 173.691 174.900 0.083 0.000 1.260 87 G CA -0.249 44.937 45.100 0.144 0.000 0.853 87 G HN 0.516 nan 8.290 nan 0.000 0.480 88 V N -1.023 118.912 119.914 0.035 0.000 2.919 88 V HA 0.734 4.854 4.120 0.000 0.000 0.316 88 V C -0.268 175.845 176.094 0.032 0.000 1.077 88 V CA -1.303 61.015 62.300 0.029 0.000 0.977 88 V CB 1.891 33.723 31.823 0.015 0.000 1.039 88 V HN 0.627 nan 8.190 nan 0.000 0.441 89 I N 2.179 122.772 120.570 0.038 0.000 2.312 89 I HA 0.308 4.478 4.170 0.000 0.000 0.291 89 I C 1.135 177.286 176.117 0.057 0.000 1.031 89 I CA 0.402 61.736 61.300 0.057 0.000 1.293 89 I CB 0.600 38.636 38.000 0.061 0.000 1.403 89 I HN 0.850 nan 8.210 nan 0.000 0.484 90 T N 4.365 118.957 114.554 0.063 0.000 3.039 90 T HA 0.211 4.561 4.350 0.000 0.000 0.250 90 T C 0.768 175.517 174.700 0.083 0.000 1.052 90 T CA 0.356 62.489 62.100 0.055 0.000 1.125 90 T CB 0.540 69.428 68.868 0.033 0.000 0.908 90 T HN 0.754 nan 8.240 nan 0.000 0.473 91 G N 0.422 109.292 108.800 0.117 0.000 2.659 91 G HA2 0.601 4.561 3.960 0.000 0.000 0.296 91 G HA3 0.601 4.561 3.960 0.000 0.000 0.296 91 G C -2.144 172.903 174.900 0.246 0.000 1.369 91 G CA -0.603 44.585 45.100 0.146 0.000 0.937 91 G HN 0.139 nan 8.290 nan 0.000 0.485 92 F N 0.707 120.699 119.950 0.070 0.000 2.574 92 F HA 0.761 5.288 4.527 0.000 0.000 0.313 92 F C -0.970 174.889 175.800 0.097 0.000 1.130 92 F CA -0.995 57.061 58.000 0.093 0.000 0.936 92 F CB 2.142 41.195 39.000 0.088 0.000 1.219 92 F HN 0.338 nan 8.300 nan 0.000 0.445 93 K N 4.153 124.131 120.400 -0.702 0.000 2.443 93 K HA 0.246 4.566 4.320 0.000 0.000 0.252 93 K C -1.672 174.496 176.600 -0.720 0.000 0.933 93 K CA -0.858 55.079 56.287 -0.583 0.000 0.792 93 K CB 1.921 34.274 32.500 -0.246 0.000 1.185 93 K HN 0.795 nan 8.250 nan 0.000 0.425 94 H N 3.934 122.651 119.070 -0.588 0.000 2.652 94 H HA 0.195 4.752 4.556 0.000 0.000 0.298 94 H C 0.374 175.495 175.328 -0.344 0.000 1.076 94 H CA -0.422 55.391 56.048 -0.393 0.000 1.360 94 H CB 0.651 30.328 29.762 -0.142 0.000 1.421 94 H HN 0.516 nan 8.280 nan 0.000 0.464 95 L N 3.293 124.447 121.223 -0.116 0.000 2.200 95 L HA 0.114 4.454 4.340 0.000 0.000 0.200 95 L C 0.455 177.281 176.870 -0.074 0.000 1.072 95 L CA 0.459 55.230 54.840 -0.114 0.000 0.787 95 L CB 0.077 42.038 42.059 -0.163 0.000 0.957 95 L HN 0.609 nan 8.230 nan 0.000 0.459 96 S N -2.651 113.023 115.700 -0.044 0.000 2.636 96 S HA 0.569 5.039 4.470 0.000 0.000 0.268 96 S C -0.870 173.729 174.600 -0.002 0.000 1.159 96 S CA -0.817 57.349 58.200 -0.056 0.000 0.815 96 S CB 2.196 65.352 63.200 -0.073 0.000 1.130 96 S HN -0.089 nan 8.310 nan 0.000 0.471 97 S N 0.547 116.242 115.700 -0.009 0.000 2.575 97 S HA 0.790 5.260 4.470 0.000 0.000 0.278 97 S C -0.498 174.099 174.600 -0.004 0.000 1.139 97 S CA -0.610 57.603 58.200 0.021 0.000 0.954 97 S CB 1.912 65.149 63.200 0.061 0.000 1.054 97 S HN 0.726 nan 8.310 nan 0.000 0.483 98 S N 1.259 116.958 115.700 -0.001 0.000 2.677 98 S HA 0.279 4.749 4.470 0.000 0.000 0.290 98 S C 1.265 175.873 174.600 0.013 0.000 1.124 98 S CA -0.540 57.661 58.200 0.002 0.000 1.017 98 S CB 0.500 63.701 63.200 0.002 0.000 1.215 98 S HN 0.761 nan 8.310 nan 0.000 0.524 99 Q N 0.749 120.557 119.800 0.013 0.000 2.119 99 Q HA -0.061 4.279 4.340 0.000 0.000 0.201 99 Q C 0.432 176.447 176.000 0.026 0.000 0.972 99 Q CA 1.882 57.696 55.803 0.018 0.000 0.847 99 Q CB -0.008 28.739 28.738 0.015 0.000 0.903 99 Q HN 0.563 nan 8.270 nan 0.000 0.433 100 D N -0.991 119.426 120.400 0.028 0.000 2.500 100 D HA 0.106 4.746 4.640 0.000 0.000 0.218 100 D C -0.324 176.004 176.300 0.046 0.000 1.140 100 D CA 0.238 54.260 54.000 0.036 0.000 0.830 100 D CB 0.667 41.487 40.800 0.033 0.000 1.055 100 D HN 0.514 nan 8.370 nan 0.000 0.512 101 E N -0.160 120.063 120.200 0.039 0.000 2.456 101 E HA 0.754 5.105 4.350 0.000 0.000 0.276 101 E C -1.343 175.263 176.600 0.009 0.000 0.981 101 E CA -1.262 55.164 56.400 0.044 0.000 0.814 101 E CB 2.146 31.874 29.700 0.046 0.000 1.382 101 E HN -0.100 nan 8.360 nan 0.000 0.459 102 A N 0.614 123.414 122.820 -0.033 0.000 2.454 102 A HA 0.721 5.041 4.320 0.000 0.000 0.302 102 A C -1.119 176.197 177.584 -0.447 0.000 1.079 102 A CA -0.804 51.080 52.037 -0.256 0.000 0.731 102 A CB 1.818 20.558 19.000 -0.432 0.000 1.299 102 A HN 0.568 nan 8.150 nan 0.000 0.413 103 R N 0.704 120.850 120.500 -0.589 0.000 2.460 103 R HA 0.670 5.010 4.340 0.000 0.000 0.303 103 R C -1.788 173.978 176.300 -0.891 0.000 0.968 103 R CA -0.211 55.582 56.100 -0.512 0.000 0.889 103 R CB 0.809 30.952 30.300 -0.261 0.000 1.123 103 R HN 0.734 nan 8.270 nan 0.000 0.455 104 Y N 0.671 120.610 120.300 -0.603 0.000 2.581 104 Y HA 0.364 4.914 4.550 0.000 0.000 0.345 104 Y C -0.439 175.111 175.900 -0.583 0.000 1.036 104 Y CA -0.861 56.788 58.100 -0.752 0.000 1.042 104 Y CB 2.389 40.152 38.460 -1.162 0.000 1.289 104 Y HN 0.528 nan 8.280 nan 0.000 0.471 105 E N 1.397 121.476 120.200 -0.201 0.000 2.293 105 E HA 0.697 5.047 4.350 0.000 0.000 0.270 105 E C -1.824 174.856 176.600 0.134 0.000 0.879 105 E CA -0.945 55.444 56.400 -0.018 0.000 0.756 105 E CB 2.263 31.939 29.700 -0.040 0.000 1.208 105 E HN 0.491 nan 8.360 nan 0.000 0.428 106 V N 0.924 120.993 119.914 0.257 0.000 2.823 106 V HA 0.670 4.790 4.120 0.000 0.000 0.312 106 V C -0.628 175.561 176.094 0.158 0.000 1.072 106 V CA -1.106 61.352 62.300 0.263 0.000 0.937 106 V CB 1.745 33.771 31.823 0.338 0.000 1.013 106 V HN 0.710 nan 8.190 nan 0.000 0.430 107 R N 2.493 123.074 120.500 0.134 0.000 2.294 107 R HA 0.738 5.078 4.340 0.000 0.000 0.319 107 R C -1.421 174.937 176.300 0.095 0.000 0.984 107 R CA -0.691 55.469 56.100 0.100 0.000 0.861 107 R CB 1.516 31.864 30.300 0.079 0.000 1.104 107 R HN 0.853 nan 8.270 nan 0.000 0.451 108 L N 3.820 125.107 121.223 0.107 0.000 2.298 108 L HA 0.464 4.804 4.340 0.000 0.000 0.284 108 L C -1.151 175.802 176.870 0.138 0.000 1.013 108 L CA 0.133 55.036 54.840 0.106 0.000 0.824 108 L CB 1.500 43.602 42.059 0.073 0.000 1.221 108 L HN 0.734 nan 8.230 nan 0.000 0.418 109 E N 6.097 126.297 120.200 0.001 0.000 2.336 109 E HA 0.554 4.904 4.350 0.000 0.000 0.267 109 E C -2.689 173.665 176.600 -0.411 0.000 0.906 109 E CA -2.058 54.184 56.400 -0.263 0.000 0.781 109 E CB 2.066 31.650 29.700 -0.194 0.000 1.261 109 E HN 0.402 nan 8.360 nan 0.000 0.436 110 P HA 0.155 nan 4.420 nan 0.000 0.277 110 P C 0.011 177.168 177.300 -0.238 0.000 1.271 110 P CA -0.213 62.559 63.100 -0.548 0.000 0.795 110 P CB 1.133 32.273 31.700 -0.934 0.000 1.101 111 R N -0.246 120.206 120.500 -0.079 0.000 2.115 111 R HA -0.058 4.282 4.340 0.000 0.000 0.230 111 R C 2.452 178.718 176.300 -0.057 0.000 1.111 111 R CA 1.387 57.468 56.100 -0.031 0.000 0.976 111 R CB -0.615 29.701 30.300 0.027 0.000 0.870 111 R HN 0.487 nan 8.270 nan 0.000 0.445 112 M N 0.558 120.138 119.600 -0.034 0.000 2.108 112 M HA -0.241 4.239 4.480 0.000 0.000 0.257 112 M C 2.128 178.372 176.300 -0.094 0.000 1.071 112 M CA 2.075 57.342 55.300 -0.055 0.000 1.093 112 M CB -0.160 32.484 32.600 0.075 0.000 1.345 112 M HN 0.261 nan 8.290 nan 0.000 0.403 113 A N 0.376 123.134 122.820 -0.104 0.000 2.032 113 A HA -0.174 4.146 4.320 0.000 0.000 0.221 113 A C 1.906 179.444 177.584 -0.078 0.000 1.165 113 A CA 1.541 53.524 52.037 -0.091 0.000 0.645 113 A CB -1.063 17.861 19.000 -0.126 0.000 0.807 113 A HN 0.651 nan 8.150 nan 0.000 0.453 114 L N -0.288 120.882 121.223 -0.089 0.000 2.465 114 L HA -0.067 4.273 4.340 0.000 0.000 0.224 114 L C 1.793 178.605 176.870 -0.097 0.000 1.145 114 L CA 0.149 54.954 54.840 -0.057 0.000 0.834 114 L CB -0.429 41.623 42.059 -0.010 0.000 0.944 114 L HN 0.383 nan 8.230 nan 0.000 0.451 115 L N -0.662 120.403 121.223 -0.263 0.000 2.447 115 L HA -0.158 4.183 4.340 0.000 0.000 0.225 115 L C 2.117 178.955 176.870 -0.053 0.000 1.148 115 L CA 1.028 55.672 54.840 -0.326 0.000 0.808 115 L CB -1.193 40.655 42.059 -0.351 0.000 0.928 115 L HN 0.279 nan 8.230 nan 0.000 0.448 116 T N -0.961 113.576 114.554 -0.027 0.000 3.055 116 T HA -0.051 4.300 4.350 0.000 0.000 0.265 116 T C 1.958 176.670 174.700 0.021 0.000 1.111 116 T CA 0.648 62.752 62.100 0.006 0.000 1.118 116 T CB -0.067 68.803 68.868 0.003 0.000 0.909 116 T HN 0.272 nan 8.240 nan 0.000 0.501 117 R N 1.475 121.998 120.500 0.038 0.000 2.299 117 R HA 0.106 4.446 4.340 0.000 0.000 0.197 117 R C 0.397 176.730 176.300 0.054 0.000 0.971 117 R CA 0.149 56.276 56.100 0.045 0.000 1.030 117 R CB 0.324 30.654 30.300 0.051 0.000 0.932 117 R HN 0.286 nan 8.270 nan 0.000 0.477 118 S N 0.367 116.117 115.700 0.083 0.000 2.561 118 S HA 0.383 4.853 4.470 0.000 0.000 0.303 118 S C -0.426 174.183 174.600 0.015 0.000 1.110 118 S CA -1.071 57.161 58.200 0.053 0.000 1.034 118 S CB 1.542 64.789 63.200 0.079 0.000 1.010 118 S HN 0.312 nan 8.310 nan 0.000 0.482 119 R N 2.619 123.091 120.500 -0.046 0.000 2.629 119 R HA 0.391 4.731 4.340 0.000 0.000 0.277 119 R C -0.749 175.445 176.300 -0.176 0.000 1.637 119 R CA -0.596 55.443 56.100 -0.101 0.000 1.663 119 R CB 0.306 30.543 30.300 -0.106 0.000 1.228 119 R HN 0.617 nan 8.270 nan 0.000 0.632 120 Q N 1.351 121.042 119.800 -0.182 0.000 2.222 120 Q HA 0.316 4.656 4.340 0.000 0.000 0.252 120 Q C -0.590 175.187 176.000 -0.372 0.000 0.926 120 Q CA -1.069 54.580 55.803 -0.257 0.000 0.899 120 Q CB 1.734 30.367 28.738 -0.175 0.000 1.250 120 Q HN 0.394 nan 8.270 nan 0.000 0.441 121 N N 0.745 119.095 118.700 -0.583 0.000 2.520 121 N HA 0.450 5.190 4.740 0.000 0.000 0.273 121 N C -1.020 174.227 175.510 -0.438 0.000 1.155 121 N CA 0.138 52.718 53.050 -0.784 0.000 0.967 121 N CB 1.306 38.784 38.487 -1.682 0.000 1.092 121 N HN 0.587 nan 8.380 nan 0.000 0.457 122 A N 1.725 124.424 122.820 -0.200 0.000 2.589 122 A HA 0.651 4.971 4.320 0.000 0.000 0.296 122 A C -1.097 176.496 177.584 0.016 0.000 1.062 122 A CA -0.649 51.349 52.037 -0.065 0.000 0.686 122 A CB 1.012 19.678 19.000 -0.558 0.000 1.282 122 A HN 0.545 nan 8.150 nan 0.000 0.404 123 I N 1.621 122.235 120.570 0.075 0.000 2.389 123 I HA 0.406 4.576 4.170 0.000 0.000 0.288 123 I C -1.324 174.851 176.117 0.097 0.000 0.999 123 I CA -0.334 61.052 61.300 0.143 0.000 1.129 123 I CB 1.383 39.498 38.000 0.192 0.000 1.288 123 I HN 0.625 nan 8.210 nan 0.000 0.444 124 Y N 4.327 124.800 120.300 0.289 0.000 2.342 124 Y HA 0.539 5.089 4.550 0.000 0.000 0.334 124 Y C 0.115 176.163 175.900 0.246 0.000 1.067 124 Y CA -0.574 57.713 58.100 0.312 0.000 1.128 124 Y CB 1.549 40.151 38.460 0.236 0.000 1.200 124 Y HN 0.424 nan 8.280 nan 0.000 0.464 125 Q N 2.405 122.415 119.800 0.351 0.000 2.327 125 Q HA 0.359 4.700 4.340 0.000 0.000 0.270 125 Q C -0.905 175.202 176.000 0.179 0.000 1.022 125 Q CA -0.768 55.174 55.803 0.231 0.000 0.773 125 Q CB 0.505 29.353 28.738 0.183 0.000 1.251 125 Q HN 0.701 nan 8.270 nan 0.000 0.457 126 N N 2.435 121.218 118.700 0.138 0.000 2.738 126 N HA -0.192 4.548 4.740 0.000 0.000 0.249 126 N C -1.169 174.391 175.510 0.083 0.000 1.047 126 N CA 0.717 53.819 53.050 0.086 0.000 0.707 126 N CB -0.414 38.105 38.487 0.053 0.000 0.937 126 N HN 0.582 nan 8.380 nan 0.000 0.545 127 Q N -0.516 119.342 119.800 0.096 0.000 2.416 127 Q HA 0.527 4.867 4.340 0.000 0.000 0.279 127 Q C 0.407 176.420 176.000 0.021 0.000 1.101 127 Q CA -0.656 55.181 55.803 0.056 0.000 0.830 127 Q CB 1.501 30.283 28.738 0.075 0.000 1.402 127 Q HN 0.335 nan 8.270 nan 0.000 0.445 128 T N -3.060 111.478 114.554 -0.027 0.000 2.849 128 T HA 0.273 4.623 4.350 0.000 0.000 0.284 128 T C 1.464 176.091 174.700 -0.121 0.000 1.004 128 T CA -0.617 61.453 62.100 -0.049 0.000 1.021 128 T CB 0.631 69.461 68.868 -0.062 0.000 1.013 128 T HN 0.257 nan 8.240 nan 0.000 0.527 129 V N 2.559 122.385 119.914 -0.146 0.000 2.250 129 V HA -0.120 4.000 4.120 0.000 0.000 0.250 129 V C -0.437 175.446 176.094 -0.352 0.000 1.060 129 V CA 2.044 64.198 62.300 -0.244 0.000 1.030 129 V CB -1.756 29.919 31.823 -0.247 0.000 0.643 129 V HN 0.783 nan 8.190 nan 0.000 0.445 130 P HA -0.184 nan 4.420 nan 0.000 0.215 130 P C 1.803 178.753 177.300 -0.582 0.000 1.153 130 P CA 1.482 64.183 63.100 -0.665 0.000 0.853 130 P CB -0.066 31.111 31.700 -0.871 0.000 0.788 131 Q N -0.878 118.692 119.800 -0.383 0.000 2.084 131 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 131 Q C 2.203 178.082 176.000 -0.200 0.000 0.978 131 Q CA 1.197 56.851 55.803 -0.249 0.000 0.844 131 Q CB -0.609 28.047 28.738 -0.137 0.000 0.898 131 Q HN 0.270 nan 8.270 nan 0.000 0.426 132 I N -0.073 120.359 120.570 -0.230 0.000 2.163 132 I HA -0.300 3.870 4.170 0.000 0.000 0.243 132 I C 2.219 178.137 176.117 -0.331 0.000 1.085 132 I CA 0.990 62.093 61.300 -0.328 0.000 1.347 132 I CB -0.407 37.341 38.000 -0.421 0.000 1.044 132 I HN 0.055 nan 8.210 nan 0.000 0.408 133 V N 0.679 120.394 119.914 -0.331 0.000 2.261 133 V HA -0.318 3.802 4.120 0.000 0.000 0.246 133 V C 2.516 178.458 176.094 -0.254 0.000 1.047 133 V CA 2.262 64.382 62.300 -0.301 0.000 1.015 133 V CB -0.668 30.947 31.823 -0.348 0.000 0.642 133 V HN 0.485 nan 8.190 nan 0.000 0.446 134 E N 0.070 120.130 120.200 -0.234 0.000 2.097 134 E HA -0.279 4.071 4.350 0.000 0.000 0.196 134 E C 2.273 178.809 176.600 -0.107 0.000 1.000 134 E CA 1.566 57.850 56.400 -0.193 0.000 0.804 134 E CB -0.062 29.600 29.700 -0.063 0.000 0.740 134 E HN 0.555 nan 8.360 nan 0.000 0.454 135 K N 0.235 120.594 120.400 -0.068 0.000 2.009 135 K HA -0.151 4.169 4.320 0.000 0.000 0.210 135 K C 2.227 178.844 176.600 0.028 0.000 1.049 135 K CA 1.486 57.788 56.287 0.024 0.000 0.929 135 K CB -0.167 32.386 32.500 0.088 0.000 0.714 135 K HN 0.247 nan 8.250 nan 0.000 0.440 136 I N 1.496 122.054 120.570 -0.019 0.000 2.208 136 I HA -0.304 3.866 4.170 0.000 0.000 0.245 136 I C 2.363 178.546 176.117 0.109 0.000 1.097 136 I CA 1.462 62.796 61.300 0.056 0.000 1.363 136 I CB -0.717 37.307 38.000 0.041 0.000 1.051 136 I HN 0.223 nan 8.210 nan 0.000 0.413 137 L N 0.192 121.398 121.223 -0.029 0.000 1.989 137 L HA -0.234 4.106 4.340 0.000 0.000 0.211 137 L C 2.869 179.774 176.870 0.059 0.000 1.071 137 L CA 1.683 56.486 54.840 -0.060 0.000 0.749 137 L CB -0.586 41.215 42.059 -0.430 0.000 0.890 137 L HN 0.204 nan 8.230 nan 0.000 0.431 138 R N -0.414 120.120 120.500 0.056 0.000 2.073 138 R HA -0.090 4.251 4.340 0.000 0.000 0.229 138 R C 2.157 178.514 176.300 0.096 0.000 1.120 138 R CA 1.108 57.286 56.100 0.129 0.000 0.967 138 R CB -0.151 30.246 30.300 0.162 0.000 0.862 138 R HN 0.478 nan 8.270 nan 0.000 0.436 139 E N 0.287 120.533 120.200 0.077 0.000 2.011 139 E HA -0.136 4.214 4.350 0.000 0.000 0.191 139 E C 2.012 178.604 176.600 -0.014 0.000 0.980 139 E CA 0.715 57.149 56.400 0.057 0.000 0.814 139 E CB -0.068 29.687 29.700 0.093 0.000 0.775 139 E HN -0.026 nan 8.360 nan 0.000 0.454 140 R N 0.304 120.747 120.500 -0.096 0.000 2.236 140 R HA -0.044 4.297 4.340 0.000 0.000 0.208 140 R C 1.186 177.160 176.300 -0.544 0.000 1.036 140 R CA 1.278 57.175 56.100 -0.339 0.000 1.001 140 R CB 0.047 30.076 30.300 -0.452 0.000 0.896 140 R HN 0.319 nan 8.270 nan 0.000 0.464 141 H N -0.954 118.134 119.070 0.030 0.000 2.893 141 H HA 0.217 4.773 4.556 0.000 0.000 0.270 141 H C -0.163 175.192 175.328 0.045 0.000 1.095 141 H CA 0.191 56.256 56.048 0.029 0.000 1.186 141 H CB 0.715 30.485 29.762 0.014 0.000 1.562 141 H HN 0.082 nan 8.280 nan 0.000 0.536 142 Q N 0.185 120.051 119.800 0.110 0.000 2.475 142 Q HA -0.171 4.169 4.340 0.000 0.000 0.280 142 Q C -0.304 175.777 176.000 0.135 0.000 1.234 142 Q CA 0.630 56.494 55.803 0.102 0.000 0.873 142 Q CB -1.725 27.057 28.738 0.073 0.000 1.256 142 Q HN 0.458 nan 8.270 nan 0.000 0.475 143 M N -0.082 119.628 119.600 0.183 0.000 2.314 143 M HA 0.342 4.822 4.480 0.000 0.000 0.342 143 M C 0.513 177.006 176.300 0.321 0.000 1.171 143 M CA 0.118 55.567 55.300 0.248 0.000 1.098 143 M CB 1.146 33.915 32.600 0.282 0.000 1.559 143 M HN 0.068 nan 8.290 nan 0.000 0.459 144 R N 1.016 121.654 120.500 0.230 0.000 2.772 144 R HA 0.302 4.642 4.340 0.000 0.000 0.358 144 R C 0.810 177.048 176.300 -0.102 0.000 1.143 144 R CA 0.189 56.343 56.100 0.091 0.000 1.153 144 R CB 0.469 30.796 30.300 0.045 0.000 1.329 144 R HN 1.166 nan 8.270 nan 0.000 0.615 145 G N 1.571 110.102 108.800 -0.449 0.000 2.562 145 G HA2 -0.495 3.465 3.960 0.000 0.000 0.241 145 G HA3 -0.495 3.465 3.960 0.000 0.000 0.241 145 G C 1.151 175.775 174.900 -0.461 0.000 1.120 145 G CA 1.029 45.740 45.100 -0.647 0.000 0.673 145 G HN 0.572 nan 8.290 nan 0.000 0.519 146 Q N -0.502 119.148 119.800 -0.249 0.000 2.187 146 Q HA 0.133 4.473 4.340 0.000 0.000 0.199 146 Q C 1.489 177.412 176.000 -0.129 0.000 0.957 146 Q CA 1.359 57.068 55.803 -0.155 0.000 0.857 146 Q CB -0.071 28.617 28.738 -0.084 0.000 0.929 146 Q HN 0.431 nan 8.270 nan 0.000 0.453 147 D N 0.533 120.876 120.400 -0.096 0.000 2.363 147 D HA 0.081 4.721 4.640 0.000 0.000 0.220 147 D C 0.041 176.427 176.300 0.143 0.000 0.994 147 D CA 0.610 54.647 54.000 0.062 0.000 0.890 147 D CB 0.162 41.074 40.800 0.187 0.000 0.906 147 D HN 0.346 nan 8.370 nan 0.000 0.530 148 F N -2.368 117.556 119.950 -0.044 0.000 2.741 148 F HA 0.591 5.118 4.527 0.000 0.000 0.311 148 F C -1.571 174.179 175.800 -0.085 0.000 1.149 148 F CA -1.299 56.635 58.000 -0.111 0.000 0.930 148 F CB 1.223 40.186 39.000 -0.063 0.000 1.312 148 F HN -0.355 nan 8.300 nan 0.000 0.450 149 V N 1.608 121.528 119.914 0.010 0.000 2.924 149 V HA 0.438 4.558 4.120 0.000 0.000 0.300 149 V C -1.583 174.465 176.094 -0.076 0.000 1.227 149 V CA -0.815 61.464 62.300 -0.035 0.000 0.954 149 V CB 2.265 34.029 31.823 -0.097 0.000 1.055 149 V HN 0.714 nan 8.190 nan 0.000 0.429 150 F N 3.875 123.882 119.950 0.095 0.000 2.415 150 F HA 0.547 5.074 4.527 0.000 0.000 0.348 150 F C 0.883 176.642 175.800 -0.068 0.000 1.119 150 F CA -0.407 57.602 58.000 0.015 0.000 1.069 150 F CB 1.605 40.588 39.000 -0.028 0.000 1.124 150 F HN 0.430 nan 8.300 nan 0.000 0.472 151 N N 5.723 124.413 118.700 -0.015 0.000 2.813 151 N HA 0.253 4.993 4.740 0.000 0.000 0.282 151 N C -1.120 174.451 175.510 0.103 0.000 1.748 151 N CA -0.150 52.921 53.050 0.035 0.000 0.860 151 N CB 1.118 39.634 38.487 0.048 0.000 1.204 151 N HN 0.426 nan 8.380 nan 0.000 0.490 152 L N 0.606 121.915 121.223 0.144 0.000 2.350 152 L HA 0.319 4.660 4.340 0.000 0.000 0.275 152 L C 1.542 178.500 176.870 0.147 0.000 1.099 152 L CA -0.448 54.505 54.840 0.188 0.000 0.808 152 L CB 1.274 43.505 42.059 0.287 0.000 1.149 152 L HN -0.006 nan 8.230 nan 0.000 0.442 153 K N 0.700 121.182 120.400 0.137 0.000 2.214 153 K HA 0.159 4.479 4.320 0.000 0.000 0.201 153 K C 0.663 177.276 176.600 0.022 0.000 1.049 153 K CA 0.282 56.615 56.287 0.076 0.000 0.978 153 K CB 0.325 32.868 32.500 0.072 0.000 0.842 153 K HN 0.529 nan 8.250 nan 0.000 0.474 154 S N 1.432 117.132 115.700 0.001 0.000 2.600 154 S HA 0.097 4.567 4.470 0.000 0.000 0.265 154 S C -0.006 174.358 174.600 -0.392 0.000 1.325 154 S CA -0.186 57.894 58.200 -0.200 0.000 1.002 154 S CB 0.874 63.923 63.200 -0.253 0.000 0.921 154 S HN 0.082 nan 8.310 nan 0.000 0.554 155 E N 0.517 120.423 120.200 -0.490 0.000 2.191 155 E HA 0.304 4.654 4.350 0.000 0.000 0.278 155 E C -1.524 174.675 176.600 -0.669 0.000 0.972 155 E CA -0.302 55.846 56.400 -0.419 0.000 0.804 155 E CB 1.103 30.666 29.700 -0.228 0.000 1.110 155 E HN 0.507 nan 8.360 nan 0.000 0.394 156 Y N 2.052 122.275 120.300 -0.128 0.000 2.328 156 Y HA 0.280 4.830 4.550 0.000 0.000 0.337 156 Y C -1.954 173.869 175.900 -0.127 0.000 0.966 156 Y CA -2.431 55.581 58.100 -0.147 0.000 1.136 156 Y CB 0.930 39.317 38.460 -0.121 0.000 1.170 156 Y HN 0.388 nan 8.280 nan 0.000 0.470 157 P HA 0.111 nan 4.420 nan 0.000 0.267 157 P C -0.642 176.667 177.300 0.014 0.000 1.200 157 P CA -0.231 62.853 63.100 -0.027 0.000 0.772 157 P CB 0.664 32.339 31.700 -0.042 0.000 0.855 158 A N 3.527 126.350 122.820 0.005 0.000 2.425 158 A HA 0.277 4.597 4.320 0.000 0.000 0.249 158 A C 0.290 177.896 177.584 0.037 0.000 1.084 158 A CA -0.166 51.882 52.037 0.018 0.000 0.781 158 A CB 0.077 19.083 19.000 0.011 0.000 1.019 158 A HN 0.384 nan 8.150 nan 0.000 0.490 159 R N 1.508 122.042 120.500 0.057 0.000 2.460 159 R HA 0.215 4.555 4.340 0.000 0.000 0.303 159 R C 0.667 177.021 176.300 0.091 0.000 0.968 159 R CA -0.571 55.578 56.100 0.081 0.000 0.889 159 R CB 1.609 31.970 30.300 0.103 0.000 1.123 159 R HN 1.021 nan 8.270 nan 0.000 0.455 160 E N 1.974 122.226 120.200 0.086 0.000 2.015 160 E HA -0.140 4.210 4.350 0.000 0.000 0.191 160 E C -0.355 176.326 176.600 0.135 0.000 0.991 160 E CA 1.337 57.786 56.400 0.082 0.000 0.802 160 E CB 0.486 30.219 29.700 0.055 0.000 0.759 160 E HN 0.450 nan 8.360 nan 0.000 0.447 161 Q N -0.074 119.825 119.800 0.165 0.000 2.347 161 Q HA 0.499 4.839 4.340 0.000 0.000 0.271 161 Q C -1.571 174.571 176.000 0.237 0.000 1.064 161 Q CA -0.596 55.337 55.803 0.217 0.000 0.800 161 Q CB 3.163 32.036 28.738 0.225 0.000 1.304 161 Q HN -0.036 nan 8.270 nan 0.000 0.438 162 V N 2.870 122.964 119.914 0.301 0.000 2.524 162 V HA 0.383 4.503 4.120 0.000 0.000 0.297 162 V C -0.700 175.640 176.094 0.411 0.000 1.035 162 V CA -0.509 61.996 62.300 0.342 0.000 0.867 162 V CB 1.901 33.933 31.823 0.348 0.000 1.004 162 V HN 0.793 nan 8.190 nan 0.000 0.426 163 M N 4.214 124.016 119.600 0.336 0.000 2.188 163 M HA 0.463 4.943 4.480 0.000 0.000 0.357 163 M C -0.238 176.152 176.300 0.151 0.000 1.204 163 M CA -0.317 55.143 55.300 0.268 0.000 1.095 163 M CB 1.265 34.006 32.600 0.235 0.000 1.604 163 M HN 0.798 nan 8.290 nan 0.000 0.464 164 Q N 4.545 124.270 119.800 -0.125 0.000 2.372 164 Q HA 0.265 4.605 4.340 0.000 0.000 0.259 164 Q C -2.312 173.553 176.000 -0.226 0.000 0.993 164 Q CA -0.446 55.021 55.803 -0.560 0.000 0.854 164 Q CB 1.092 29.082 28.738 -1.246 0.000 1.231 164 Q HN 0.755 nan 8.270 nan 0.000 0.462 165 Y N 2.704 122.853 120.300 -0.253 0.000 2.373 165 Y HA 0.453 5.003 4.550 0.000 0.000 0.336 165 Y C 0.493 176.279 175.900 -0.190 0.000 0.979 165 Y CA 0.195 58.147 58.100 -0.245 0.000 1.080 165 Y CB 1.853 40.212 38.460 -0.167 0.000 1.190 165 Y HN 0.847 nan 8.280 nan 0.000 0.446 166 G N 3.935 112.327 108.800 -0.680 0.000 2.323 166 G HA2 -0.258 3.702 3.960 0.000 0.000 0.292 166 G HA3 -0.258 3.702 3.960 0.000 0.000 0.292 166 G C -0.503 174.274 174.900 -0.205 0.000 1.040 166 G CA 0.664 45.490 45.100 -0.456 0.000 0.942 166 G HN 0.627 nan 8.290 nan 0.000 0.506 167 E N 0.456 120.547 120.200 -0.182 0.000 2.290 167 E HA 0.235 4.585 4.350 0.000 0.000 0.274 167 E C -0.256 176.308 176.600 -0.059 0.000 0.889 167 E CA -0.873 55.488 56.400 -0.064 0.000 0.760 167 E CB 1.587 31.298 29.700 0.018 0.000 1.206 167 E HN 0.482 nan 8.360 nan 0.000 0.419 168 D N 2.444 122.839 120.400 -0.009 0.000 2.360 168 D HA -0.010 4.630 4.640 0.000 0.000 0.242 168 D C 0.017 176.363 176.300 0.076 0.000 1.184 168 D CA -0.277 53.730 54.000 0.012 0.000 0.930 168 D CB 1.238 42.048 40.800 0.016 0.000 1.161 168 D HN 0.293 nan 8.370 nan 0.000 0.447 169 D N -0.030 120.427 120.400 0.095 0.000 2.149 169 D HA -0.141 4.499 4.640 0.000 0.000 0.198 169 D C 1.810 178.184 176.300 0.124 0.000 0.990 169 D CA 0.633 54.727 54.000 0.158 0.000 0.839 169 D CB -0.166 40.759 40.800 0.209 0.000 0.948 169 D HN 0.279 nan 8.370 nan 0.000 0.460 170 L N 0.820 122.077 121.223 0.058 0.000 2.027 170 L HA -0.123 4.218 4.340 0.000 0.000 0.206 170 L C 2.197 179.120 176.870 0.089 0.000 1.074 170 L CA 1.761 56.629 54.840 0.046 0.000 0.745 170 L CB -1.014 41.063 42.059 0.031 0.000 0.898 170 L HN -0.048 nan 8.230 nan 0.000 0.433 171 T N -0.476 114.139 114.554 0.103 0.000 2.708 171 T HA -0.216 4.134 4.350 0.000 0.000 0.266 171 T C 1.651 176.441 174.700 0.150 0.000 1.037 171 T CA 1.759 63.927 62.100 0.113 0.000 1.146 171 T CB -0.589 68.337 68.868 0.097 0.000 0.865 171 T HN 0.342 nan 8.240 nan 0.000 0.435 172 F N 2.051 122.011 119.950 0.016 0.000 2.069 172 F HA -0.131 4.396 4.527 0.000 0.000 0.298 172 F C 2.307 178.109 175.800 0.003 0.000 1.113 172 F CA 0.729 58.736 58.000 0.011 0.000 1.214 172 F CB -0.912 38.090 39.000 0.004 0.000 0.978 172 F HN -0.084 nan 8.300 nan 0.000 0.474 173 V N -0.295 119.539 119.914 -0.133 0.000 2.295 173 V HA -0.312 3.808 4.120 0.000 0.000 0.246 173 V C 2.497 178.520 176.094 -0.118 0.000 1.049 173 V CA 2.215 64.371 62.300 -0.241 0.000 1.024 173 V CB -0.973 30.777 31.823 -0.121 0.000 0.648 173 V HN 0.395 nan 8.190 nan 0.000 0.447 174 S N -0.653 115.062 115.700 0.024 0.000 2.368 174 S HA -0.207 4.263 4.470 0.000 0.000 0.224 174 S C 2.054 176.698 174.600 0.072 0.000 1.029 174 S CA 1.620 59.902 58.200 0.137 0.000 0.988 174 S CB -0.384 62.930 63.200 0.189 0.000 0.838 174 S HN 0.557 nan 8.310 nan 0.000 0.462 175 R N 1.191 121.703 120.500 0.020 0.000 2.083 175 R HA -0.049 4.291 4.340 0.000 0.000 0.237 175 R C 2.147 178.426 176.300 -0.034 0.000 1.137 175 R CA 1.258 57.365 56.100 0.012 0.000 0.951 175 R CB -0.423 29.899 30.300 0.037 0.000 0.851 175 R HN 0.346 nan 8.270 nan 0.000 0.434 176 L N 0.560 121.683 121.223 -0.166 0.000 2.017 176 L HA -0.203 4.137 4.340 0.000 0.000 0.208 176 L C 2.504 179.322 176.870 -0.087 0.000 1.073 176 L CA 1.279 56.007 54.840 -0.186 0.000 0.745 176 L CB -0.509 41.304 42.059 -0.410 0.000 0.894 176 L HN 0.306 nan 8.230 nan 0.000 0.432 177 L N -0.300 120.887 121.223 -0.059 0.000 2.083 177 L HA -0.191 4.149 4.340 0.000 0.000 0.209 177 L C 2.899 179.821 176.870 0.086 0.000 1.083 177 L CA 1.584 56.439 54.840 0.026 0.000 0.752 177 L CB -0.628 41.521 42.059 0.151 0.000 0.899 177 L HN 0.394 nan 8.230 nan 0.000 0.433 178 S N -0.263 115.490 115.700 0.089 0.000 2.406 178 S HA -0.202 4.268 4.470 0.000 0.000 0.228 178 S C 1.818 176.460 174.600 0.070 0.000 1.020 178 S CA 0.933 59.183 58.200 0.083 0.000 0.965 178 S CB -0.396 62.845 63.200 0.067 0.000 0.798 178 S HN 0.638 nan 8.310 nan 0.000 0.488 179 E N 0.558 120.810 120.200 0.088 0.000 2.268 179 E HA -0.049 4.301 4.350 0.000 0.000 0.195 179 E C 1.508 178.240 176.600 0.220 0.000 0.995 179 E CA 1.142 57.632 56.400 0.151 0.000 0.836 179 E CB -0.151 29.648 29.700 0.164 0.000 0.763 179 E HN 0.475 nan 8.360 nan 0.000 0.491 180 V N 0.340 120.347 119.914 0.156 0.000 3.578 180 V HA 0.218 4.338 4.120 0.000 0.000 0.290 180 V C 1.143 177.314 176.094 0.128 0.000 1.376 180 V CA 0.777 63.179 62.300 0.170 0.000 1.083 180 V CB 0.471 32.407 31.823 0.188 0.000 0.911 180 V HN 0.568 nan 8.190 nan 0.000 0.433 181 G N 1.201 110.057 108.800 0.092 0.000 2.160 181 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 181 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 181 G C 0.059 175.097 174.900 0.229 0.000 1.022 181 G CA 0.339 45.501 45.100 0.103 0.000 0.741 181 G HN 0.481 nan 8.290 nan 0.000 0.508 182 I N 0.920 121.614 120.570 0.207 0.000 2.472 182 I HA 0.532 4.702 4.170 0.000 0.000 0.290 182 I C 1.022 177.375 176.117 0.394 0.000 1.016 182 I CA -0.790 60.647 61.300 0.227 0.000 1.348 182 I CB 0.625 38.668 38.000 0.071 0.000 1.417 182 I HN 0.377 nan 8.210 nan 0.000 0.521 183 W N 6.169 127.668 121.300 0.332 0.000 2.902 183 W HA 0.687 5.347 4.660 -0.000 0.000 0.346 183 W C -1.888 174.855 176.519 0.374 0.000 1.139 183 W CA -1.303 56.242 57.345 0.334 0.000 1.139 183 W CB 0.780 30.485 29.460 0.407 0.000 1.439 183 W HN 0.375 nan 8.180 nan 0.000 0.558 184 F N 0.665 120.841 119.950 0.377 0.000 2.603 184 F HA 0.845 5.372 4.527 0.000 0.000 0.317 184 F C -0.446 175.430 175.800 0.127 0.000 1.066 184 F CA -1.663 56.313 58.000 -0.040 0.000 0.941 184 F CB 1.591 40.216 39.000 -0.626 0.000 1.291 184 F HN 0.561 nan 8.300 nan 0.000 0.472 185 R N 0.606 121.196 120.500 0.150 0.000 2.855 185 R HA 0.706 5.046 4.340 0.000 0.000 0.266 185 R C -2.199 174.045 176.300 -0.092 0.000 1.034 185 R CA -0.785 55.398 56.100 0.138 0.000 0.944 185 R CB 1.711 32.194 30.300 0.305 0.000 1.219 185 R HN 0.641 nan 8.270 nan 0.000 0.474 186 F N 0.010 120.094 119.950 0.224 0.000 2.425 186 F HA 0.788 5.315 4.527 -0.000 0.000 0.331 186 F C 0.343 176.234 175.800 0.152 0.000 1.085 186 F CA -0.307 57.816 58.000 0.205 0.000 1.028 186 F CB 2.259 41.469 39.000 0.350 0.000 1.177 186 F HN 0.840 nan 8.300 nan 0.000 0.487 187 A N 0.868 123.855 122.820 0.279 0.000 2.569 187 A HA 0.823 5.143 4.320 0.000 0.000 0.290 187 A C -1.128 176.558 177.584 0.170 0.000 1.136 187 A CA -0.714 51.432 52.037 0.181 0.000 0.710 187 A CB 1.384 20.460 19.000 0.126 0.000 1.303 187 A HN 0.568 nan 8.150 nan 0.000 0.413 188 T N 1.230 115.859 114.554 0.125 0.000 2.797 188 T HA 0.415 4.765 4.350 0.000 0.000 0.279 188 T C -1.133 173.606 174.700 0.065 0.000 0.991 188 T CA -0.195 61.982 62.100 0.128 0.000 0.979 188 T CB 1.095 70.053 68.868 0.150 0.000 0.943 188 T HN 0.569 nan 8.240 nan 0.000 0.444 189 D N 2.368 122.780 120.400 0.020 0.000 2.380 189 D HA 0.362 5.002 4.640 0.000 0.000 0.230 189 D C 1.120 177.400 176.300 -0.032 0.000 1.154 189 D CA -0.471 53.519 54.000 -0.017 0.000 0.859 189 D CB 1.386 42.158 40.800 -0.046 0.000 1.045 189 D HN 0.569 nan 8.370 nan 0.000 0.495 190 A N 5.396 128.215 122.820 -0.003 0.000 1.892 190 A HA -0.243 4.077 4.320 0.000 0.000 0.218 190 A C 2.046 179.619 177.584 -0.018 0.000 1.188 190 A CA 1.291 53.330 52.037 0.003 0.000 0.631 190 A CB -0.137 18.867 19.000 0.006 0.000 0.822 190 A HN 0.675 nan 8.150 nan 0.000 0.447 191 R N -0.541 119.943 120.500 -0.027 0.000 2.062 191 R HA 0.095 4.435 4.340 0.000 0.000 0.229 191 R C 1.877 178.148 176.300 -0.049 0.000 1.128 191 R CA 1.397 57.478 56.100 -0.031 0.000 0.960 191 R CB -0.506 29.779 30.300 -0.026 0.000 0.855 191 R HN 0.463 nan 8.270 nan 0.000 0.432 192 L N 0.797 121.979 121.223 -0.068 0.000 2.418 192 L HA 0.086 4.426 4.340 0.000 0.000 0.218 192 L C 0.155 176.938 176.870 -0.145 0.000 1.125 192 L CA 0.272 55.061 54.840 -0.085 0.000 0.835 192 L CB -0.184 41.830 42.059 -0.076 0.000 0.953 192 L HN 0.143 nan 8.230 nan 0.000 0.454 193 K N 1.310 121.578 120.400 -0.220 0.000 3.372 193 K HA -0.169 4.151 4.320 0.000 0.000 0.272 193 K C -0.693 175.382 176.600 -0.875 0.000 1.037 193 K CA 0.499 56.489 56.287 -0.495 0.000 0.777 193 K CB -1.697 30.681 32.500 -0.202 0.000 1.347 193 K HN 0.485 nan 8.250 nan 0.000 0.460 194 I N -2.992 117.177 120.570 -0.669 0.000 3.006 194 I HA 0.450 4.620 4.170 0.000 0.000 0.306 194 I C -0.098 175.961 176.117 -0.096 0.000 1.250 194 I CA -1.270 59.826 61.300 -0.341 0.000 0.996 194 I CB 1.938 39.866 38.000 -0.119 0.000 1.261 194 I HN 0.017 nan 8.210 nan 0.000 0.442 195 E N 3.677 123.948 120.200 0.118 0.000 2.301 195 E HA 0.496 4.846 4.350 0.000 0.000 0.275 195 E C -1.432 175.293 176.600 0.207 0.000 1.030 195 E CA -0.552 55.997 56.400 0.250 0.000 0.852 195 E CB 2.170 32.106 29.700 0.394 0.000 1.060 195 E HN 0.514 nan 8.360 nan 0.000 0.401 196 V N 4.714 124.747 119.914 0.198 0.000 2.487 196 V HA 0.302 4.422 4.120 0.000 0.000 0.298 196 V C 0.233 176.328 176.094 0.001 0.000 1.028 196 V CA -0.804 61.547 62.300 0.086 0.000 0.860 196 V CB 1.348 33.187 31.823 0.026 0.000 0.991 196 V HN 0.629 nan 8.190 nan 0.000 0.427 197 I N 4.508 124.982 120.570 -0.159 0.000 2.396 197 I HA 0.286 4.456 4.170 0.000 0.000 0.289 197 I C 0.348 176.090 176.117 -0.625 0.000 1.056 197 I CA 0.167 61.113 61.300 -0.591 0.000 1.365 197 I CB 0.403 37.925 38.000 -0.796 0.000 1.407 197 I HN 0.628 nan 8.210 nan 0.000 0.509 198 E N 6.529 126.360 120.200 -0.616 0.000 2.158 198 E HA 0.450 4.800 4.350 0.000 0.000 0.271 198 E C -1.258 174.830 176.600 -0.854 0.000 0.911 198 E CA -0.625 55.409 56.400 -0.610 0.000 0.767 198 E CB 1.756 31.271 29.700 -0.309 0.000 1.120 198 E HN 0.300 nan 8.360 nan 0.000 0.405 199 F N 2.116 121.585 119.950 -0.801 0.000 2.399 199 F HA 0.464 4.991 4.527 0.000 0.000 0.334 199 F C -0.256 174.944 175.800 -0.999 0.000 1.097 199 F CA -0.416 57.160 58.000 -0.707 0.000 1.076 199 F CB 0.751 39.367 39.000 -0.641 0.000 1.162 199 F HN 0.388 nan 8.300 nan 0.000 0.495 200 Y N -0.302 119.708 120.300 -0.483 0.000 2.625 200 Y HA 0.285 4.836 4.550 0.000 0.000 0.338 200 Y C -0.151 175.366 175.900 -0.638 0.000 1.123 200 Y CA -1.478 56.237 58.100 -0.642 0.000 1.046 200 Y CB 1.524 39.319 38.460 -1.109 0.000 1.299 200 Y HN 0.523 nan 8.280 nan 0.000 0.464 201 D N -2.384 118.004 120.400 -0.021 0.000 2.520 201 D HA 0.143 4.783 4.640 0.000 0.000 0.223 201 D C -0.469 176.023 176.300 0.320 0.000 1.186 201 D CA 0.131 54.246 54.000 0.192 0.000 0.821 201 D CB 0.584 41.566 40.800 0.302 0.000 1.072 201 D HN 0.489 nan 8.370 nan 0.000 0.518 202 D N -0.426 120.144 120.400 0.283 0.000 2.664 202 D HA 0.015 4.655 4.640 0.000 0.000 0.292 202 D C 1.067 177.359 176.300 -0.013 0.000 1.214 202 D CA -0.506 53.602 54.000 0.179 0.000 0.932 202 D CB 0.625 41.466 40.800 0.069 0.000 1.420 202 D HN -0.089 nan 8.370 nan 0.000 0.471 203 Q N -0.158 119.430 119.800 -0.352 0.000 2.368 203 Q HA -0.108 4.232 4.340 0.000 0.000 0.210 203 Q C 1.382 176.994 176.000 -0.646 0.000 0.982 203 Q CA 1.601 56.787 55.803 -1.028 0.000 0.884 203 Q CB -0.572 27.725 28.738 -0.734 0.000 0.933 203 Q HN 0.513 nan 8.270 nan 0.000 0.460 204 S N -0.016 115.533 115.700 -0.253 0.000 2.607 204 S HA 0.080 4.550 4.470 0.000 0.000 0.224 204 S C 1.656 176.172 174.600 -0.139 0.000 0.969 204 S CA 0.340 58.474 58.200 -0.112 0.000 0.927 204 S CB 0.030 63.217 63.200 -0.022 0.000 0.772 204 S HN 0.469 nan 8.310 nan 0.000 0.533 205 G N -0.235 108.406 108.800 -0.265 0.000 2.838 205 G HA2 0.194 4.154 3.960 0.000 0.000 0.210 205 G HA3 0.194 4.154 3.960 0.000 0.000 0.210 205 G C -0.030 174.690 174.900 -0.301 0.000 1.153 205 G CA -0.325 44.312 45.100 -0.772 0.000 0.778 205 G HN 0.441 nan 8.290 nan 0.000 0.539 206 Y N 0.871 121.147 120.300 -0.041 0.000 2.411 206 Y HA 0.316 4.866 4.550 -0.000 0.000 0.333 206 Y C 0.637 176.527 175.900 -0.017 0.000 1.186 206 Y CA -1.743 56.368 58.100 0.018 0.000 1.381 206 Y CB 0.497 39.007 38.460 0.083 0.000 1.273 206 Y HN 0.082 nan 8.280 nan 0.000 0.546 207 E N 3.216 123.502 120.200 0.143 0.000 2.146 207 E HA 0.369 4.719 4.350 0.000 0.000 0.282 207 E C -0.896 175.734 176.600 0.050 0.000 0.989 207 E CA -0.661 55.784 56.400 0.074 0.000 0.799 207 E CB 0.599 30.330 29.700 0.052 0.000 1.088 207 E HN 0.586 nan 8.360 nan 0.000 0.397 208 R N 1.962 122.486 120.500 0.040 0.000 2.589 208 R HA 0.672 5.012 4.340 0.000 0.000 0.293 208 R C -0.612 175.686 176.300 -0.002 0.000 0.963 208 R CA -0.623 55.482 56.100 0.008 0.000 0.905 208 R CB 2.141 32.442 30.300 0.002 0.000 1.144 208 R HN 0.547 nan 8.270 nan 0.000 0.459 209 G N 3.106 111.896 108.800 -0.016 0.000 2.029 209 G HA2 0.218 4.178 3.960 0.000 0.000 0.293 209 G HA3 0.218 4.178 3.960 0.000 0.000 0.293 209 G C -0.759 174.121 174.900 -0.033 0.000 1.362 209 G CA -0.679 44.401 45.100 -0.033 0.000 1.226 209 G HN 0.316 nan 8.290 nan 0.000 0.599 210 L N 1.195 122.396 121.223 -0.037 0.000 2.467 210 L HA 0.429 4.769 4.340 0.000 0.000 0.270 210 L C 0.304 177.156 176.870 -0.031 0.000 1.205 210 L CA 0.244 55.065 54.840 -0.032 0.000 0.828 210 L CB 0.931 42.966 42.059 -0.040 0.000 1.101 210 L HN 0.379 nan 8.230 nan 0.000 0.479 211 T N 2.389 116.933 114.554 -0.017 0.000 2.930 211 T HA 0.359 4.709 4.350 0.000 0.000 0.313 211 T C -0.025 174.678 174.700 0.004 0.000 1.019 211 T CA -0.447 61.649 62.100 -0.007 0.000 1.004 211 T CB 1.035 69.902 68.868 -0.003 0.000 0.987 211 T HN 0.149 nan 8.240 nan 0.000 0.456 212 L N 4.500 125.727 121.223 0.008 0.000 2.456 212 L HA 0.605 4.945 4.340 0.000 0.000 0.257 212 L C -1.683 175.207 176.870 0.034 0.000 1.162 212 L CA -1.065 53.791 54.840 0.026 0.000 0.808 212 L CB -0.044 42.032 42.059 0.030 0.000 1.136 212 L HN 0.642 nan 8.230 nan 0.000 0.466 213 P HA -0.230 nan 4.420 nan 0.000 0.299 213 P C -0.997 176.343 177.300 0.067 0.000 1.970 213 P CA -0.016 63.117 63.100 0.055 0.000 1.766 213 P CB -0.091 31.648 31.700 0.065 0.000 0.236 214 L N -4.880 116.398 121.223 0.092 0.000 4.145 214 L HA 0.299 4.639 4.340 0.000 0.000 0.475 214 L C 0.167 177.068 176.870 0.050 0.000 1.010 214 L CA 0.565 55.458 54.840 0.088 0.000 1.038 214 L CB -1.054 41.038 42.059 0.055 0.000 1.881 214 L HN 1.173 nan 8.230 nan 0.000 0.989 226 E N 1.462 121.706 120.200 0.074 0.000 2.174 226 E HA 0.660 5.010 4.350 0.000 0.000 0.282 226 E C -0.229 176.439 176.600 0.114 0.000 0.992 226 E CA -0.781 55.685 56.400 0.109 0.000 0.803 226 E CB 1.694 31.449 29.700 0.092 0.000 1.090 226 E HN 0.814 nan 8.360 nan 0.000 0.396 227 A N 2.580 125.502 122.820 0.171 0.000 2.568 227 A HA 0.678 4.998 4.320 0.000 0.000 0.291 227 A C -1.421 176.322 177.584 0.265 0.000 1.159 227 A CA -0.576 51.572 52.037 0.185 0.000 0.679 227 A CB 1.772 20.872 19.000 0.168 0.000 1.285 227 A HN 0.379 nan 8.150 nan 0.000 0.428 228 V N -0.032 120.030 119.914 0.247 0.000 2.769 228 V HA 0.874 4.994 4.120 0.000 0.000 0.312 228 V C -1.266 175.029 176.094 0.335 0.000 1.061 228 V CA 0.100 62.533 62.300 0.221 0.000 0.931 228 V CB 1.833 33.725 31.823 0.114 0.000 1.010 228 V HN 1.488 nan 8.190 nan 0.000 0.433 229 W N 2.691 123.989 121.300 -0.004 0.000 2.937 229 W HA 0.658 5.318 4.660 -0.000 0.000 0.360 229 W C 0.351 176.807 176.519 -0.104 0.000 1.215 229 W CA -0.384 56.924 57.345 -0.061 0.000 1.183 229 W CB 0.611 30.045 29.460 -0.044 0.000 1.458 229 W HN 1.410 nan 8.180 nan 0.000 0.574 230 G N 0.910 109.750 108.800 0.067 0.000 2.176 230 G HA2 -0.276 3.684 3.960 0.000 0.000 0.252 230 G HA3 -0.276 3.684 3.960 0.000 0.000 0.252 230 G C -0.172 174.593 174.900 -0.224 0.000 1.024 230 G CA 0.151 45.201 45.100 -0.084 0.000 0.755 230 G HN 0.765 nan 8.290 nan 0.000 0.507 231 L N 0.322 121.386 121.223 -0.265 0.000 2.453 231 L HA 0.372 4.712 4.340 0.000 0.000 0.272 231 L C 0.729 177.488 176.870 -0.184 0.000 1.182 231 L CA 0.535 55.121 54.840 -0.423 0.000 0.858 231 L CB 0.396 41.941 42.059 -0.856 0.000 1.120 231 L HN 0.706 nan 8.230 nan 0.000 0.474 232 N N 0.256 118.932 118.700 -0.040 0.000 2.591 232 N HA 0.672 5.412 4.740 0.000 0.000 0.263 232 N C -1.031 174.580 175.510 0.169 0.000 1.308 232 N CA -0.886 52.207 53.050 0.072 0.000 0.837 232 N CB 2.025 40.503 38.487 -0.015 0.000 1.548 232 N HN 0.501 nan 8.380 nan 0.000 0.493 233 T N -2.558 112.076 114.554 0.133 0.000 2.916 233 T HA 0.902 5.252 4.350 0.000 0.000 0.292 233 T C -1.041 173.669 174.700 0.018 0.000 1.064 233 T CA -0.899 61.243 62.100 0.071 0.000 1.011 233 T CB 1.578 70.572 68.868 0.211 0.000 1.152 233 T HN 1.038 nan 8.240 nan 0.000 0.510 234 A N 1.143 123.877 122.820 -0.143 0.000 2.459 234 A HA 0.724 5.044 4.320 0.000 0.000 0.296 234 A C -2.012 175.414 177.584 -0.263 0.000 1.039 234 A CA -0.865 51.121 52.037 -0.086 0.000 0.698 234 A CB 1.027 19.979 19.000 -0.080 0.000 1.261 234 A HN 0.802 nan 8.150 nan 0.000 0.405 235 Y N 0.441 120.735 120.300 -0.009 0.000 2.457 235 Y HA 0.727 5.277 4.550 -0.000 0.000 0.343 235 Y C 0.560 176.450 175.900 -0.017 0.000 0.994 235 Y CA -0.256 57.835 58.100 -0.014 0.000 1.031 235 Y CB 2.739 41.191 38.460 -0.013 0.000 1.246 235 Y HN 0.732 nan 8.280 nan 0.000 0.449 236 S N 0.920 116.690 115.700 0.117 0.000 2.740 236 S HA 0.935 5.405 4.470 0.000 0.000 0.300 236 S C -1.452 173.167 174.600 0.033 0.000 1.147 236 S CA -0.453 57.779 58.200 0.053 0.000 0.871 236 S CB 1.681 64.890 63.200 0.015 0.000 1.173 236 S HN 0.429 nan 8.310 nan 0.000 0.510 293 G N 0.895 109.952 108.800 0.429 0.000 2.356 293 G HA2 0.645 4.605 3.960 0.000 0.000 0.266 293 G HA3 0.645 4.605 3.960 0.000 0.000 0.266 293 G C -0.090 175.023 174.900 0.355 0.000 1.312 293 G CA 0.782 46.083 45.100 0.336 0.000 0.922 293 G HN 1.541 nan 8.290 nan 0.000 0.480 294 A N -3.185 119.795 122.820 0.267 0.000 3.570 294 A HA 0.451 4.771 4.320 0.000 0.000 0.219 294 A C 1.517 179.197 177.584 0.161 0.000 1.297 294 A CA 1.158 53.316 52.037 0.201 0.000 1.171 294 A CB -1.524 17.584 19.000 0.180 0.000 0.809 294 A HN 2.591 nan 8.150 nan 0.000 0.390 295 F N -1.588 118.369 119.950 0.012 0.000 2.120 295 F HA -0.456 4.071 4.527 0.000 0.000 0.325 295 F C 1.538 177.317 175.800 -0.035 0.000 1.304 295 F CA 3.631 61.607 58.000 -0.040 0.000 1.952 295 F CB -1.515 37.419 39.000 -0.111 0.000 0.712 295 F HN 0.674 nan 8.300 nan 0.000 0.214 296 Y N 0.065 120.424 120.300 0.098 0.000 2.274 296 Y HA -0.004 4.546 4.550 0.000 0.000 0.290 296 Y C 2.358 178.220 175.900 -0.064 0.000 1.145 296 Y CA 1.661 59.751 58.100 -0.016 0.000 1.203 296 Y CB -1.041 37.492 38.460 0.121 0.000 0.984 296 Y HN 0.412 nan 8.280 nan 0.000 0.533 297 A N -0.357 122.545 122.820 0.137 0.000 1.968 297 A HA -0.121 4.199 4.320 0.000 0.000 0.217 297 A C 2.360 179.960 177.584 0.027 0.000 1.169 297 A CA 1.099 53.181 52.037 0.075 0.000 0.638 297 A CB -0.400 18.645 19.000 0.074 0.000 0.812 297 A HN 0.266 nan 8.150 nan 0.000 0.446 298 R N -0.111 120.371 120.500 -0.030 0.000 2.062 298 R HA -0.052 4.288 4.340 0.000 0.000 0.229 298 R C 1.832 178.079 176.300 -0.089 0.000 1.128 298 R CA 1.286 57.362 56.100 -0.039 0.000 0.960 298 R CB -0.352 29.912 30.300 -0.061 0.000 0.855 298 R HN 0.430 nan 8.270 nan 0.000 0.432 299 I N 1.833 122.247 120.570 -0.259 0.000 2.179 299 I HA -0.297 3.873 4.170 0.000 0.000 0.242 299 I C 2.516 178.541 176.117 -0.154 0.000 1.088 299 I CA 1.587 62.734 61.300 -0.255 0.000 1.357 299 I CB -1.138 36.621 38.000 -0.402 0.000 1.051 299 I HN 0.280 nan 8.210 nan 0.000 0.409 300 R N -0.164 120.264 120.500 -0.119 0.000 2.189 300 R HA -0.154 4.186 4.340 0.000 0.000 0.223 300 R C 2.315 178.486 176.300 -0.215 0.000 1.092 300 R CA 1.296 57.279 56.100 -0.194 0.000 0.989 300 R CB -0.845 29.371 30.300 -0.141 0.000 0.876 300 R HN 0.455 nan 8.270 nan 0.000 0.457 301 H N 0.980 119.978 119.070 -0.121 0.000 2.372 301 H HA 0.023 4.579 4.556 0.000 0.000 0.301 301 H C 1.273 176.561 175.328 -0.067 0.000 1.065 301 H CA 1.448 57.485 56.048 -0.018 0.000 1.364 301 H CB 0.256 30.024 29.762 0.010 0.000 1.406 301 H HN 0.393 nan 8.280 nan 0.000 0.521 302 E N 0.529 120.649 120.200 -0.134 0.000 2.160 302 E HA -0.190 4.160 4.350 0.000 0.000 0.195 302 E C 2.394 178.888 176.600 -0.177 0.000 0.991 302 E CA 0.463 56.771 56.400 -0.154 0.000 0.810 302 E CB -0.013 29.691 29.700 0.007 0.000 0.742 302 E HN 0.378 nan 8.360 nan 0.000 0.466 303 R N -0.136 120.240 120.500 -0.206 0.000 2.115 303 R HA -0.143 4.197 4.340 0.000 0.000 0.230 303 R C 1.877 178.065 176.300 -0.187 0.000 1.111 303 R CA 1.036 56.998 56.100 -0.230 0.000 0.976 303 R CB -0.015 30.113 30.300 -0.288 0.000 0.870 303 R HN 0.174 nan 8.270 nan 0.000 0.445 304 Y N 0.262 120.456 120.300 -0.177 0.000 2.200 304 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 304 Y C 1.992 177.736 175.900 -0.259 0.000 1.137 304 Y CA 0.703 58.696 58.100 -0.179 0.000 1.163 304 Y CB -0.411 37.964 38.460 -0.141 0.000 0.988 304 Y HN 0.033 nan 8.280 nan 0.000 0.518 305 L N 0.355 121.407 121.223 -0.285 0.000 2.083 305 L HA -0.211 4.129 4.340 0.000 0.000 0.209 305 L C 2.048 178.729 176.870 -0.315 0.000 1.083 305 L CA 1.388 55.913 54.840 -0.525 0.000 0.752 305 L CB -1.266 40.075 42.059 -1.196 0.000 0.899 305 L HN 0.299 nan 8.230 nan 0.000 0.433 306 N N 0.168 118.782 118.700 -0.144 0.000 2.069 306 N HA -0.213 4.527 4.740 0.000 0.000 0.191 306 N C 1.287 176.788 175.510 -0.015 0.000 1.031 306 N CA 1.703 54.762 53.050 0.015 0.000 0.852 306 N CB 0.070 38.529 38.487 -0.047 0.000 1.018 306 N HN 0.626 nan 8.380 nan 0.000 0.423 307 E N 0.357 120.540 120.200 -0.028 0.000 2.479 307 E HA -0.021 4.329 4.350 0.000 0.000 0.193 307 E C 1.442 178.025 176.600 -0.029 0.000 1.049 307 E CA 0.034 56.423 56.400 -0.017 0.000 0.870 307 E CB 0.070 29.778 29.700 0.012 0.000 0.944 307 E HN 0.332 nan 8.360 nan 0.000 0.492 308 Q N 0.914 120.688 119.800 -0.044 0.000 2.331 308 Q HA 0.119 4.459 4.340 0.000 0.000 0.203 308 Q C -0.019 175.943 176.000 -0.063 0.000 0.944 308 Q CA 0.665 56.449 55.803 -0.031 0.000 0.892 308 Q CB 0.474 29.189 28.738 -0.039 0.000 0.983 308 Q HN 0.298 nan 8.270 nan 0.000 0.482 309 A N 1.120 123.848 122.820 -0.153 0.000 2.651 309 A HA 0.460 4.780 4.320 0.000 0.000 0.290 309 A C -1.013 176.365 177.584 -0.343 0.000 1.185 309 A CA -0.570 51.213 52.037 -0.423 0.000 0.746 309 A CB 0.396 19.226 19.000 -0.283 0.000 1.213 309 A HN 0.237 nan 8.150 nan 0.000 0.429 310 I N 3.162 123.519 120.570 -0.355 0.000 2.315 310 I HA 0.321 4.491 4.170 0.000 0.000 0.291 310 I C -0.452 175.524 176.117 -0.234 0.000 1.006 310 I CA -0.320 60.848 61.300 -0.220 0.000 1.265 310 I CB 1.346 39.265 38.000 -0.136 0.000 1.387 310 I HN 0.460 nan 8.210 nan 0.000 0.475 311 L N 7.280 128.402 121.223 -0.167 0.000 2.295 311 L HA 0.551 4.891 4.340 0.000 0.000 0.285 311 L C -0.055 176.802 176.870 -0.021 0.000 1.035 311 L CA -0.656 54.118 54.840 -0.109 0.000 0.806 311 L CB 1.157 43.073 42.059 -0.238 0.000 1.214 311 L HN 0.586 nan 8.230 nan 0.000 0.426 312 K N 1.411 121.796 120.400 -0.024 0.000 2.395 312 K HA 0.910 5.230 4.320 0.000 0.000 0.245 312 K C -0.398 175.835 176.600 -0.611 0.000 1.017 312 K CA -0.874 55.218 56.287 -0.325 0.000 0.852 312 K CB 2.748 35.092 32.500 -0.260 0.000 1.311 312 K HN 0.767 nan 8.250 nan 0.000 0.452 313 G N 0.344 108.449 108.800 -1.158 0.000 2.349 313 G HA2 0.257 4.217 3.960 0.000 0.000 0.294 313 G HA3 0.257 4.217 3.960 0.000 0.000 0.294 313 G C -1.970 172.336 174.900 -0.991 0.000 1.380 313 G CA -0.614 43.803 45.100 -1.139 0.000 0.811 313 G HN 0.403 nan 8.290 nan 0.000 0.519 314 Q N -0.982 118.366 119.800 -0.754 0.000 2.423 314 Q HA 0.792 5.132 4.340 0.000 0.000 0.278 314 Q C -0.752 174.728 176.000 -0.868 0.000 1.097 314 Q CA -0.774 54.489 55.803 -0.898 0.000 0.809 314 Q CB 2.527 30.397 28.738 -1.447 0.000 1.391 314 Q HN 0.708 nan 8.270 nan 0.000 0.428 315 S N -1.212 114.059 115.700 -0.715 0.000 2.588 315 S HA 0.446 4.916 4.470 0.000 0.000 0.269 315 S C -0.486 174.096 174.600 -0.029 0.000 1.157 315 S CA -0.050 57.991 58.200 -0.265 0.000 0.824 315 S CB 1.368 64.567 63.200 -0.002 0.000 1.126 315 S HN 0.737 nan 8.310 nan 0.000 0.464 316 T N -1.121 113.583 114.554 0.249 0.000 3.040 316 T HA 0.313 4.663 4.350 0.000 0.000 0.266 316 T C 0.725 175.648 174.700 0.372 0.000 1.005 316 T CA 0.324 62.615 62.100 0.318 0.000 0.906 316 T CB 0.141 69.226 68.868 0.361 0.000 1.082 316 T HN 0.543 nan 8.240 nan 0.000 0.531 317 S N 2.432 118.289 115.700 0.262 0.000 2.525 317 S HA 0.174 4.645 4.470 0.000 0.000 0.285 317 S C 1.484 176.277 174.600 0.321 0.000 1.283 317 S CA 0.083 58.413 58.200 0.217 0.000 1.072 317 S CB 0.379 63.644 63.200 0.109 0.000 0.867 317 S HN 0.578 nan 8.310 nan 0.000 0.492 318 S N 4.965 120.775 115.700 0.182 0.000 2.558 318 S HA 0.137 4.607 4.470 0.000 0.000 0.217 318 S C 1.476 176.095 174.600 0.032 0.000 0.975 318 S CA -0.121 58.099 58.200 0.034 0.000 0.912 318 S CB -0.256 62.840 63.200 -0.173 0.000 0.776 318 S HN 0.734 nan 8.310 nan 0.000 0.526 319 L N 0.212 121.461 121.223 0.043 0.000 2.341 319 L HA 0.324 4.664 4.340 0.000 0.000 0.214 319 L C 0.585 177.467 176.870 0.019 0.000 1.115 319 L CA 0.019 54.868 54.840 0.016 0.000 0.820 319 L CB -0.181 41.880 42.059 0.004 0.000 0.944 319 L HN 0.295 nan 8.230 nan 0.000 0.452 320 L N 0.883 122.128 121.223 0.037 0.000 2.462 320 L HA 0.146 4.486 4.340 0.000 0.000 0.272 320 L C -0.183 176.694 176.870 0.012 0.000 1.166 320 L CA 1.341 56.171 54.840 -0.017 0.000 0.880 320 L CB 0.560 42.585 42.059 -0.056 0.000 1.142 320 L HN 0.049 nan 8.230 nan 0.000 0.473 321 M N 5.599 125.181 119.600 -0.030 0.000 2.520 321 M HA 0.423 4.903 4.480 0.000 0.000 0.280 321 M C -2.598 173.681 176.300 -0.036 0.000 1.232 321 M CA -1.699 53.603 55.300 0.005 0.000 0.892 321 M CB 2.791 35.404 32.600 0.021 0.000 1.728 321 M HN 0.243 nan 8.290 nan 0.000 0.475 322 P HA 0.196 nan 4.420 nan 0.000 0.264 322 P C 0.319 177.587 177.300 -0.054 0.000 1.193 322 P CA 1.222 64.281 63.100 -0.068 0.000 0.763 322 P CB 0.543 32.231 31.700 -0.020 0.000 0.810 323 G N 1.811 110.517 108.800 -0.157 0.000 2.284 323 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 323 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 323 G C -0.252 174.591 174.900 -0.096 0.000 1.009 323 G CA -0.554 44.499 45.100 -0.078 0.000 0.625 323 G HN 0.466 nan 8.290 nan 0.000 0.501 324 L N 1.946 123.103 121.223 -0.110 0.000 2.410 324 L HA 0.453 4.793 4.340 0.000 0.000 0.273 324 L C 0.705 177.475 176.870 -0.165 0.000 1.152 324 L CA -0.002 54.777 54.840 -0.101 0.000 0.855 324 L CB 1.285 43.288 42.059 -0.094 0.000 1.129 324 L HN 0.275 nan 8.230 nan 0.000 0.463 325 E N 5.434 125.569 120.200 -0.107 0.000 2.130 325 E HA 0.330 4.680 4.350 0.000 0.000 0.284 325 E C -0.914 175.628 176.600 -0.097 0.000 1.018 325 E CA -0.428 55.909 56.400 -0.105 0.000 0.817 325 E CB 0.783 30.482 29.700 -0.002 0.000 1.078 325 E HN 0.544 nan 8.360 nan 0.000 0.396 326 I N 1.508 122.010 120.570 -0.115 0.000 2.957 326 I HA 0.580 4.750 4.170 0.000 0.000 0.310 326 I C -0.690 175.395 176.117 -0.053 0.000 1.063 326 I CA -0.925 60.319 61.300 -0.093 0.000 1.033 326 I CB 1.996 39.917 38.000 -0.133 0.000 1.230 326 I HN 0.235 nan 8.210 nan 0.000 0.447 327 K N 2.728 123.112 120.400 -0.027 0.000 2.400 327 K HA 0.783 5.103 4.320 0.000 0.000 0.246 327 K C -1.526 175.100 176.600 0.043 0.000 0.995 327 K CA -0.971 55.327 56.287 0.017 0.000 0.840 327 K CB 2.502 35.001 32.500 -0.002 0.000 1.293 327 K HN 0.468 nan 8.250 nan 0.000 0.445 328 V N 1.765 121.731 119.914 0.086 0.000 2.495 328 V HA 0.073 4.193 4.120 0.000 0.000 0.298 328 V C 1.063 177.195 176.094 0.062 0.000 1.031 328 V CA -0.576 61.772 62.300 0.081 0.000 0.871 328 V CB 1.400 33.292 31.823 0.115 0.000 0.988 328 V HN 0.841 nan 8.190 nan 0.000 0.432 329 Q N 3.186 123.012 119.800 0.044 0.000 1.993 329 Q HA 0.154 4.494 4.340 0.000 0.000 0.202 329 Q C 1.354 177.378 176.000 0.039 0.000 0.984 329 Q CA 2.300 58.125 55.803 0.036 0.000 0.837 329 Q CB -0.449 28.306 28.738 0.029 0.000 0.902 329 Q HN 1.264 nan 8.270 nan 0.000 0.423 330 G N -0.116 108.706 108.800 0.037 0.000 2.545 330 G HA2 -0.334 3.626 3.960 0.000 0.000 0.240 330 G HA3 -0.334 3.626 3.960 0.000 0.000 0.240 330 G C -0.507 174.410 174.900 0.027 0.000 1.172 330 G CA 0.173 45.293 45.100 0.034 0.000 0.949 330 G HN 0.547 nan 8.290 nan 0.000 0.574 331 D N -0.309 120.108 120.400 0.028 0.000 2.525 331 D HA 0.429 5.069 4.640 0.000 0.000 0.229 331 D C 0.757 177.079 176.300 0.036 0.000 1.202 331 D CA 0.458 54.480 54.000 0.036 0.000 0.828 331 D CB 0.942 41.763 40.800 0.035 0.000 1.008 331 D HN 0.247 nan 8.370 nan 0.000 0.493 332 D N 0.638 121.054 120.400 0.028 0.000 2.340 332 D HA 0.147 4.787 4.640 0.000 0.000 0.220 332 D C 0.235 176.551 176.300 0.027 0.000 1.039 332 D CA -0.075 53.941 54.000 0.026 0.000 0.866 332 D CB 0.079 40.890 40.800 0.017 0.000 0.913 332 D HN 0.344 nan 8.370 nan 0.000 0.523 333 A N 1.047 123.886 122.820 0.030 0.000 2.363 333 A HA 0.492 4.813 4.320 0.000 0.000 0.270 333 A C -2.150 175.506 177.584 0.120 0.000 1.121 333 A CA -1.058 50.995 52.037 0.027 0.000 0.800 333 A CB 0.155 19.157 19.000 0.003 0.000 1.052 333 A HN 0.032 nan 8.150 nan 0.000 0.493 334 P HA 0.086 nan 4.420 nan 0.000 0.269 334 P C 0.984 178.451 177.300 0.278 0.000 1.211 334 P CA 0.728 63.987 63.100 0.265 0.000 0.781 334 P CB 0.557 32.486 31.700 0.382 0.000 0.877 335 A N 2.312 125.236 122.820 0.174 0.000 1.940 335 A HA -0.189 4.131 4.320 0.000 0.000 0.219 335 A C 1.929 179.579 177.584 0.111 0.000 1.176 335 A CA 2.405 54.516 52.037 0.123 0.000 0.631 335 A CB -1.820 17.228 19.000 0.081 0.000 0.814 335 A HN 0.491 nan 8.150 nan 0.000 0.446 336 V N -3.530 116.429 119.914 0.075 0.000 2.407 336 V HA -0.230 3.890 4.120 0.000 0.000 0.248 336 V C 2.221 178.270 176.094 -0.074 0.000 1.055 336 V CA 1.964 64.238 62.300 -0.042 0.000 1.049 336 V CB -1.491 30.228 31.823 -0.172 0.000 0.662 336 V HN 0.392 nan 8.190 nan 0.000 0.455 337 F N 0.725 120.720 119.950 0.075 0.000 2.407 337 F HA 0.094 4.621 4.527 -0.000 0.000 0.299 337 F C 2.671 178.498 175.800 0.045 0.000 1.097 337 F CA 1.197 59.237 58.000 0.067 0.000 1.422 337 F CB -0.420 38.628 39.000 0.080 0.000 1.067 337 F HN 0.009 nan 8.300 nan 0.000 0.539 338 R N 0.085 120.710 120.500 0.208 0.000 2.127 338 R HA -0.022 4.318 4.340 0.000 0.000 0.217 338 R C 2.054 178.396 176.300 0.070 0.000 1.074 338 R CA 0.547 56.720 56.100 0.122 0.000 0.991 338 R CB -0.129 30.233 30.300 0.102 0.000 0.895 338 R HN 0.135 nan 8.270 nan 0.000 0.450 339 K N 0.213 120.649 120.400 0.061 0.000 2.097 339 K HA 0.003 4.323 4.320 0.000 0.000 0.206 339 K C 0.956 177.559 176.600 0.005 0.000 1.049 339 K CA 1.115 57.423 56.287 0.036 0.000 0.933 339 K CB -0.086 32.445 32.500 0.051 0.000 0.717 339 K HN 0.333 nan 8.250 nan 0.000 0.442 340 G N 0.635 109.444 108.800 0.014 0.000 2.801 340 G HA2 0.075 4.035 3.960 0.000 0.000 0.648 340 G HA3 0.075 4.035 3.960 0.000 0.000 0.648 340 G C -0.973 173.934 174.900 0.011 0.000 1.415 340 G CA -0.435 44.655 45.100 -0.017 0.000 0.887 340 G HN 0.230 nan 8.290 nan 0.000 0.627 341 V N 1.278 121.181 119.914 -0.018 0.000 2.823 341 V HA 0.902 5.022 4.120 0.000 0.000 0.312 341 V C -0.106 175.919 176.094 -0.115 0.000 1.072 341 V CA -1.423 60.842 62.300 -0.058 0.000 0.937 341 V CB 2.077 33.859 31.823 -0.068 0.000 1.013 341 V HN 1.396 nan 8.190 nan 0.000 0.430 342 L N 5.272 126.378 121.223 -0.195 0.000 2.272 342 L HA 0.519 4.859 4.340 0.000 0.000 0.289 342 L C -0.535 176.145 176.870 -0.317 0.000 1.032 342 L CA -0.489 54.126 54.840 -0.375 0.000 0.810 342 L CB 1.407 43.047 42.059 -0.697 0.000 1.205 342 L HN 0.668 nan 8.230 nan 0.000 0.422 343 I N 5.459 125.846 120.570 -0.305 0.000 2.452 343 I HA 0.033 4.203 4.170 0.000 0.000 0.287 343 I C 1.609 177.552 176.117 -0.289 0.000 1.079 343 I CA 0.196 61.357 61.300 -0.231 0.000 1.387 343 I CB 0.922 38.783 38.000 -0.231 0.000 1.404 343 I HN 0.658 nan 8.210 nan 0.000 0.522 344 T N 1.820 116.236 114.554 -0.230 0.000 3.037 344 T HA 0.314 4.664 4.350 0.000 0.000 0.252 344 T C 0.743 175.338 174.700 -0.174 0.000 1.073 344 T CA 0.192 62.100 62.100 -0.321 0.000 1.091 344 T CB 0.545 69.272 68.868 -0.235 0.000 0.935 344 T HN 0.717 nan 8.240 nan 0.000 0.488 345 G N 0.713 109.478 108.800 -0.059 0.000 2.732 345 G HA2 0.541 4.502 3.960 0.000 0.000 0.296 345 G HA3 0.541 4.502 3.960 0.000 0.000 0.296 345 G C -1.555 173.377 174.900 0.053 0.000 1.448 345 G CA -0.278 44.820 45.100 -0.002 0.000 0.911 345 G HN 0.904 nan 8.290 nan 0.000 0.528 346 V N -1.539 118.410 119.914 0.057 0.000 2.841 346 V HA 0.930 5.050 4.120 0.000 0.000 0.310 346 V C -0.316 175.794 176.094 0.026 0.000 1.090 346 V CA -0.783 61.558 62.300 0.069 0.000 0.930 346 V CB 1.537 33.417 31.823 0.095 0.000 1.014 346 V HN 0.802 nan 8.190 nan 0.000 0.425 347 T N 2.617 117.162 114.554 -0.015 0.000 2.895 347 T HA 0.749 5.099 4.350 0.000 0.000 0.283 347 T C -0.294 174.358 174.700 -0.079 0.000 1.014 347 T CA -0.311 61.752 62.100 -0.061 0.000 1.037 347 T CB 1.683 70.503 68.868 -0.080 0.000 1.006 347 T HN 0.990 nan 8.240 nan 0.000 0.468 348 T N 1.631 116.125 114.554 -0.100 0.000 2.993 348 T HA 0.671 5.021 4.350 0.000 0.000 0.312 348 T C -1.164 173.451 174.700 -0.142 0.000 1.115 348 T CA -0.453 61.621 62.100 -0.042 0.000 1.027 348 T CB 1.706 70.682 68.868 0.181 0.000 1.116 348 T HN 0.559 nan 8.240 nan 0.000 0.464 349 S N 0.764 116.277 115.700 -0.312 0.000 2.565 349 S HA 0.927 5.398 4.470 0.000 0.000 0.269 349 S C -1.608 172.561 174.600 -0.717 0.000 1.153 349 S CA -0.102 57.688 58.200 -0.684 0.000 0.835 349 S CB 1.531 64.493 63.200 -0.397 0.000 1.122 349 S HN 1.179 nan 8.310 nan 0.000 0.462 350 A N 1.006 123.254 122.820 -0.952 0.000 2.540 350 A HA 0.999 5.319 4.320 0.000 0.000 0.291 350 A C -1.331 176.123 177.584 -0.216 0.000 1.083 350 A CA -0.050 51.779 52.037 -0.346 0.000 0.650 350 A CB 0.676 19.655 19.000 -0.036 0.000 1.292 350 A HN 1.840 nan 8.150 nan 0.000 0.435 351 A N -0.707 122.117 122.820 0.006 0.000 2.599 351 A HA 0.717 5.037 4.320 0.000 0.000 0.290 351 A C 0.363 178.024 177.584 0.128 0.000 1.101 351 A CA -0.290 51.785 52.037 0.064 0.000 0.674 351 A CB 0.538 19.549 19.000 0.018 0.000 1.277 351 A HN 0.813 nan 8.150 nan 0.000 0.419 352 R N 0.191 120.768 120.500 0.129 0.000 2.127 352 R HA -0.122 4.218 4.340 0.000 0.000 0.238 352 R C 0.225 176.578 176.300 0.088 0.000 1.134 352 R CA 1.749 57.922 56.100 0.122 0.000 0.975 352 R CB -0.013 30.351 30.300 0.107 0.000 0.865 352 R HN 0.806 nan 8.270 nan 0.000 0.447 353 D N -1.221 119.219 120.400 0.066 0.000 2.427 353 D HA 0.017 4.657 4.640 0.000 0.000 0.224 353 D C 1.035 177.361 176.300 0.042 0.000 1.157 353 D CA -0.021 54.007 54.000 0.047 0.000 0.828 353 D CB 0.366 41.185 40.800 0.032 0.000 0.974 353 D HN 0.095 nan 8.370 nan 0.000 0.498 354 R N -0.847 119.687 120.500 0.058 0.000 3.246 354 R HA 0.076 4.416 4.340 0.000 0.000 0.144 354 R C -0.126 176.223 176.300 0.081 0.000 0.772 354 R CA 0.485 56.614 56.100 0.047 0.000 1.364 354 R CB 0.360 30.670 30.300 0.016 0.000 1.665 354 R HN 0.039 nan 8.270 nan 0.000 0.520 355 S N -1.023 114.753 115.700 0.126 0.000 3.538 355 S HA -0.306 4.164 4.470 0.000 0.000 0.640 355 S C -0.759 173.982 174.600 0.235 0.000 2.388 355 S CA 0.508 58.846 58.200 0.229 0.000 2.560 355 S CB -0.753 62.585 63.200 0.231 0.000 0.328 355 S HN 0.361 nan 8.310 nan 0.000 1.791 356 Y N 2.147 122.569 120.300 0.203 0.000 2.436 356 Y HA 0.492 5.042 4.550 -0.000 0.000 0.336 356 Y C 0.310 176.313 175.900 0.172 0.000 1.049 356 Y CA 0.807 59.033 58.100 0.210 0.000 1.294 356 Y CB 0.492 39.149 38.460 0.328 0.000 1.179 356 Y HN 0.581 nan 8.280 nan 0.000 0.520 357 E N 6.686 126.644 120.200 -0.403 0.000 2.331 357 E HA 0.457 4.807 4.350 0.000 0.000 0.275 357 E C -2.003 174.287 176.600 -0.518 0.000 0.895 357 E CA -0.981 55.229 56.400 -0.316 0.000 0.753 357 E CB 1.296 30.968 29.700 -0.047 0.000 1.216 357 E HN 0.618 nan 8.360 nan 0.000 0.434 358 L N 1.085 122.060 121.223 -0.412 0.000 2.401 358 L HA 0.680 5.020 4.340 0.000 0.000 0.266 358 L C -0.520 176.221 176.870 -0.214 0.000 0.991 358 L CA -0.655 54.017 54.840 -0.280 0.000 0.818 358 L CB 0.727 42.671 42.059 -0.191 0.000 1.321 358 L HN 0.658 nan 8.230 nan 0.000 0.413 359 T N 0.394 114.845 114.554 -0.172 0.000 2.837 359 T HA 0.723 5.073 4.350 0.000 0.000 0.285 359 T C -0.310 174.352 174.700 -0.063 0.000 0.984 359 T CA -0.430 61.549 62.100 -0.201 0.000 1.049 359 T CB 1.000 69.741 68.868 -0.211 0.000 0.947 359 T HN 0.598 nan 8.240 nan 0.000 0.472 360 F N 0.276 120.138 119.950 -0.147 0.000 2.546 360 F HA 0.790 5.317 4.527 0.000 0.000 0.320 360 F C 0.044 175.799 175.800 -0.075 0.000 1.076 360 F CA -1.098 56.844 58.000 -0.098 0.000 0.928 360 F CB 1.308 40.258 39.000 -0.084 0.000 1.189 360 F HN 0.794 nan 8.300 nan 0.000 0.465 361 T N 0.253 114.878 114.554 0.119 0.000 2.943 361 T HA 0.932 5.282 4.350 0.000 0.000 0.284 361 T C -0.531 174.272 174.700 0.171 0.000 1.015 361 T CA -0.254 61.877 62.100 0.052 0.000 1.042 361 T CB 1.538 70.402 68.868 -0.008 0.000 1.055 361 T HN 1.582 nan 8.240 nan 0.000 0.500 362 A N 1.134 124.010 122.820 0.094 0.000 2.586 362 A HA 0.776 5.096 4.320 0.000 0.000 0.290 362 A C -1.196 176.362 177.584 -0.043 0.000 1.086 362 A CA -1.097 50.971 52.037 0.052 0.000 0.665 362 A CB 0.976 20.095 19.000 0.199 0.000 1.279 362 A HN 1.543 nan 8.150 nan 0.000 0.423 363 I N -2.179 118.336 120.570 -0.091 0.000 2.828 363 I HA 0.775 4.945 4.170 0.000 0.000 0.302 363 I C -3.022 173.024 176.117 -0.118 0.000 1.101 363 I CA -2.909 58.338 61.300 -0.088 0.000 1.031 363 I CB 2.400 40.385 38.000 -0.025 0.000 1.231 363 I HN 0.270 nan 8.210 nan 0.000 0.427 364 P HA 0.061 nan 4.420 nan 0.000 0.269 364 P C -1.274 175.979 177.300 -0.079 0.000 1.209 364 P CA 0.267 63.326 63.100 -0.068 0.000 0.776 364 P CB 0.196 31.898 31.700 0.003 0.000 0.876 365 Y N 1.850 122.076 120.300 -0.125 0.000 2.497 365 Y HA 0.306 4.856 4.550 0.001 0.000 0.334 365 Y C 0.702 176.544 175.900 -0.097 0.000 1.199 365 Y CA 1.451 59.498 58.100 -0.089 0.000 1.425 365 Y CB 0.504 38.947 38.460 -0.028 0.000 1.291 365 Y HN 0.313 nan 8.280 nan 0.000 0.562 366 S N 2.968 118.391 115.700 -0.462 0.000 2.570 366 S HA 0.309 4.779 4.470 0.000 0.000 0.270 366 S C -0.278 174.117 174.600 -0.341 0.000 1.149 366 S CA -0.708 57.337 58.200 -0.259 0.000 0.837 366 S CB 1.479 64.504 63.200 -0.292 0.000 1.124 366 S HN 0.818 nan 8.310 nan 0.000 0.465 367 E N 0.341 120.486 120.200 -0.091 0.000 2.476 367 E HA 0.077 4.427 4.350 0.000 0.000 0.199 367 E C 0.859 177.448 176.600 -0.017 0.000 1.021 367 E CA 0.050 56.416 56.400 -0.058 0.000 0.907 367 E CB 0.320 30.046 29.700 0.045 0.000 0.974 367 E HN 0.511 nan 8.360 nan 0.000 0.489 368 R N -0.417 120.105 120.500 0.036 0.000 2.472 368 R HA 0.157 4.497 4.340 0.000 0.000 0.279 368 R C -0.175 176.252 176.300 0.212 0.000 0.953 368 R CA -0.156 56.011 56.100 0.111 0.000 1.088 368 R CB -0.539 29.838 30.300 0.128 0.000 1.197 368 R HN 0.055 nan 8.270 nan 0.000 0.536 369 Y N -3.093 117.186 120.300 -0.034 0.000 2.670 369 Y HA 0.854 5.404 4.550 0.000 0.000 0.334 369 Y C -0.556 175.312 175.900 -0.052 0.000 1.185 369 Y CA -1.710 56.366 58.100 -0.039 0.000 1.053 369 Y CB 0.633 39.061 38.460 -0.054 0.000 1.298 369 Y HN 0.042 nan 8.280 nan 0.000 0.459 370 G N -0.113 108.681 108.800 -0.011 0.000 3.015 370 G HA2 0.400 4.361 3.960 0.000 0.000 0.281 370 G HA3 0.400 4.361 3.960 0.000 0.000 0.281 370 G C -2.284 172.652 174.900 0.061 0.000 1.386 370 G CA -1.157 43.920 45.100 -0.039 0.000 0.959 370 G HN 0.891 nan 8.290 nan 0.000 0.522 371 Y N 1.146 121.421 120.300 -0.042 0.000 2.411 371 Y HA 0.587 5.137 4.550 0.000 0.000 0.333 371 Y C 0.133 175.956 175.900 -0.129 0.000 1.186 371 Y CA -0.100 57.869 58.100 -0.219 0.000 1.381 371 Y CB 0.594 38.684 38.460 -0.616 0.000 1.273 371 Y HN 0.227 nan 8.280 nan 0.000 0.546 372 R N 6.390 126.281 120.500 -1.014 0.000 2.564 372 R HA 0.364 4.704 4.340 0.000 0.000 0.284 372 R C -2.959 172.775 176.300 -0.943 0.000 1.031 372 R CA -2.202 53.487 56.100 -0.684 0.000 0.904 372 R CB 1.587 31.714 30.300 -0.288 0.000 1.199 372 R HN 0.507 nan 8.270 nan 0.000 0.443 373 P HA 0.223 nan 4.420 nan 0.000 0.276 373 P C -0.526 176.685 177.300 -0.147 0.000 1.252 373 P CA -0.572 62.372 63.100 -0.261 0.000 0.802 373 P CB 0.547 32.251 31.700 0.007 0.000 1.035 374 A N 1.976 124.757 122.820 -0.065 0.000 2.498 374 A HA 0.140 4.460 4.320 0.000 0.000 0.239 374 A C 0.222 177.797 177.584 -0.014 0.000 1.068 374 A CA -0.180 51.834 52.037 -0.038 0.000 0.766 374 A CB -0.583 18.414 19.000 -0.005 0.000 1.003 374 A HN 0.631 nan 8.150 nan 0.000 0.497 375 L N 3.663 124.873 121.223 -0.021 0.000 2.433 375 L HA 0.196 4.536 4.340 0.000 0.000 0.275 375 L C -0.569 176.313 176.870 0.020 0.000 1.128 375 L CA 0.051 54.890 54.840 -0.001 0.000 0.875 375 L CB -0.185 41.863 42.059 -0.019 0.000 1.171 375 L HN 0.587 nan 8.230 nan 0.000 0.463 376 I N 8.637 129.229 120.570 0.037 0.000 2.396 376 I HA 0.180 4.350 4.170 0.000 0.000 0.289 376 I C -1.622 174.523 176.117 0.047 0.000 1.056 376 I CA -1.457 59.871 61.300 0.046 0.000 1.365 376 I CB 0.725 38.761 38.000 0.060 0.000 1.407 376 I HN 0.494 nan 8.210 nan 0.000 0.509 377 P HA 0.071 nan 4.420 nan 0.000 0.267 377 P C -0.376 176.955 177.300 0.053 0.000 1.200 377 P CA -0.270 62.856 63.100 0.043 0.000 0.772 377 P CB 0.562 32.284 31.700 0.037 0.000 0.855 378 R N 2.834 123.366 120.500 0.052 0.000 2.594 378 R HA 0.238 4.578 4.340 0.000 0.000 0.272 378 R C -1.605 174.727 176.300 0.053 0.000 1.074 378 R CA -1.222 54.915 56.100 0.062 0.000 1.105 378 R CB -0.268 30.065 30.300 0.056 0.000 1.008 378 R HN 0.460 nan 8.270 nan 0.000 0.472 379 P HA 0.021 nan 4.420 nan 0.000 0.271 379 P C -0.854 176.456 177.300 0.016 0.000 1.218 379 P CA -0.131 62.996 63.100 0.044 0.000 0.780 379 P CB 0.744 32.482 31.700 0.064 0.000 0.901 380 V N 4.640 124.563 119.914 0.016 0.000 2.364 380 V HA 0.182 4.302 4.120 0.000 0.000 0.272 380 V C 0.673 176.754 176.094 -0.021 0.000 1.036 380 V CA -0.289 62.013 62.300 0.004 0.000 0.880 380 V CB 0.768 32.604 31.823 0.021 0.000 0.991 380 V HN 0.468 nan 8.190 nan 0.000 0.460 381 M N 5.195 124.749 119.600 -0.078 0.000 2.261 381 M HA 0.463 4.943 4.480 0.000 0.000 0.349 381 M C 0.223 176.517 176.300 -0.011 0.000 1.305 381 M CA -0.009 55.198 55.300 -0.155 0.000 1.240 381 M CB 0.568 32.858 32.600 -0.517 0.000 1.394 381 M HN 0.660 nan 8.290 nan 0.000 0.438 382 A N 2.249 125.077 122.820 0.014 0.000 2.295 382 A HA 0.879 5.200 4.320 0.000 0.000 0.318 382 A C 0.824 178.440 177.584 0.052 0.000 1.134 382 A CA 0.296 52.359 52.037 0.044 0.000 0.827 382 A CB 0.468 19.491 19.000 0.038 0.000 1.136 382 A HN 1.031 nan 8.150 nan 0.000 0.493 383 G N -0.417 108.416 108.800 0.055 0.000 2.697 383 G HA2 0.091 4.051 3.960 0.000 0.000 0.240 383 G HA3 0.091 4.051 3.960 0.000 0.000 0.240 383 G C 0.127 175.065 174.900 0.063 0.000 1.346 383 G CA 0.155 45.282 45.100 0.046 0.000 0.887 383 G HN 1.642 nan 8.290 nan 0.000 0.569 384 T N -0.372 114.204 114.554 0.037 0.000 2.907 384 T HA 0.644 4.994 4.350 0.000 0.000 0.292 384 T C -0.072 174.649 174.700 0.034 0.000 1.043 384 T CA -0.579 61.529 62.100 0.014 0.000 1.003 384 T CB 0.873 69.714 68.868 -0.045 0.000 1.084 384 T HN 0.688 nan 8.240 nan 0.000 0.483 385 L N 5.475 126.722 121.223 0.040 0.000 2.307 385 L HA 0.499 4.839 4.340 0.000 0.000 0.284 385 L C -2.045 174.839 176.870 0.024 0.000 1.023 385 L CA -2.295 52.586 54.840 0.067 0.000 0.810 385 L CB 1.952 44.100 42.059 0.148 0.000 1.231 385 L HN 0.464 nan 8.230 nan 0.000 0.423 386 P HA 0.292 nan 4.420 nan 0.000 0.275 386 P C -1.111 176.332 177.300 0.238 0.000 1.227 386 P CA -0.180 62.952 63.100 0.053 0.000 0.781 386 P CB 1.720 33.329 31.700 -0.152 0.000 0.906 387 A N 3.482 126.398 122.820 0.160 0.000 2.566 387 A HA 0.702 5.023 4.320 0.000 0.000 0.292 387 A C -0.697 176.884 177.584 -0.006 0.000 1.112 387 A CA -0.868 51.204 52.037 0.058 0.000 0.707 387 A CB 1.680 20.631 19.000 -0.082 0.000 1.302 387 A HN 0.442 nan 8.150 nan 0.000 0.409 388 R N 0.612 121.018 120.500 -0.157 0.000 2.387 388 R HA 0.503 4.843 4.340 0.000 0.000 0.314 388 R C -1.078 175.112 176.300 -0.183 0.000 0.958 388 R CA -0.646 55.356 56.100 -0.165 0.000 0.846 388 R CB 1.833 31.995 30.300 -0.230 0.000 1.147 388 R HN 0.525 nan 8.270 nan 0.000 0.447 389 V N 3.497 123.315 119.914 -0.161 0.000 2.529 389 V HA 0.043 4.163 4.120 0.000 0.000 0.292 389 V C 1.010 177.034 176.094 -0.117 0.000 1.028 389 V CA 0.060 62.269 62.300 -0.152 0.000 1.074 389 V CB 0.744 32.460 31.823 -0.177 0.000 0.958 389 V HN 0.878 nan 8.190 nan 0.000 0.481 390 T N 2.014 116.503 114.554 -0.109 0.000 2.922 390 T HA 0.802 5.152 4.350 0.000 0.000 0.281 390 T C 0.030 174.740 174.700 0.016 0.000 1.005 390 T CA -0.302 61.752 62.100 -0.077 0.000 0.982 390 T CB 1.827 70.621 68.868 -0.124 0.000 1.158 390 T HN 0.836 nan 8.240 nan 0.000 0.566 397 I N 0.308 120.882 120.570 0.007 0.000 2.944 397 I HA 0.387 4.557 4.170 0.000 0.000 0.334 397 I C -0.409 175.610 176.117 -0.164 0.000 1.420 397 I CA -0.533 60.721 61.300 -0.077 0.000 0.856 397 I CB 0.140 38.060 38.000 -0.134 0.000 2.091 397 I HN 0.181 nan 8.210 nan 0.000 0.571 398 Y N 2.478 122.781 120.300 0.006 0.000 2.396 398 Y HA 0.699 5.249 4.550 0.000 0.000 0.292 398 Y C 1.207 177.141 175.900 0.057 0.000 1.128 398 Y CA 0.643 58.757 58.100 0.023 0.000 1.194 398 Y CB 0.750 39.220 38.460 0.016 0.000 1.124 398 Y HN 0.562 nan 8.280 nan 0.000 0.543 399 A N -0.742 122.199 122.820 0.201 0.000 2.259 399 A HA 0.111 4.431 4.320 0.000 0.000 0.276 399 A C -1.709 175.986 177.584 0.185 0.000 0.938 399 A CA -0.760 51.403 52.037 0.211 0.000 0.750 399 A CB -1.035 18.156 19.000 0.318 0.000 0.919 399 A HN 0.357 nan 8.150 nan 0.000 0.346 400 H N 1.577 120.698 119.070 0.086 0.000 2.864 400 H HA 0.651 5.207 4.556 0.000 0.000 0.281 400 H C -0.262 175.132 175.328 0.110 0.000 1.093 400 H CA 0.442 56.533 56.048 0.073 0.000 1.453 400 H CB 0.414 30.166 29.762 -0.016 0.000 1.462 400 H HN 0.741 nan 8.280 nan 0.000 0.480 401 I N 6.375 127.156 120.570 0.351 0.000 2.571 401 I HA 0.168 4.338 4.170 0.000 0.000 0.286 401 I C -1.270 174.984 176.117 0.229 0.000 1.134 401 I CA -0.826 60.609 61.300 0.225 0.000 1.052 401 I CB 0.991 38.946 38.000 -0.075 0.000 1.237 401 I HN 0.683 nan 8.210 nan 0.000 0.435 402 D N 7.191 127.758 120.400 0.279 0.000 2.506 402 D HA 0.191 4.831 4.640 0.000 0.000 0.272 402 D C -0.270 176.023 176.300 -0.011 0.000 1.214 402 D CA -0.568 53.477 54.000 0.075 0.000 1.067 402 D CB 0.737 41.452 40.800 -0.142 0.000 1.117 402 D HN 0.440 nan 8.370 nan 0.000 0.578 403 K N 0.081 120.449 120.400 -0.052 0.000 3.277 403 K HA 0.049 4.369 4.320 0.000 0.000 0.291 403 K C -0.463 176.106 176.600 -0.052 0.000 0.994 403 K CA 0.161 56.419 56.287 -0.049 0.000 1.147 403 K CB -0.116 32.353 32.500 -0.051 0.000 1.185 403 K HN 0.341 nan 8.250 nan 0.000 0.422 404 D N -0.387 119.985 120.400 -0.047 0.000 2.153 404 D HA 0.006 4.646 4.640 0.000 0.000 0.388 404 D C 0.386 176.666 176.300 -0.033 0.000 1.014 404 D CA 0.348 54.326 54.000 -0.037 0.000 0.906 404 D CB 0.684 41.462 40.800 -0.037 0.000 1.552 404 D HN 0.370 nan 8.370 nan 0.000 0.522 405 G N 3.418 112.185 108.800 -0.054 0.000 2.247 405 G HA2 -0.318 3.643 3.960 0.000 0.000 0.260 405 G HA3 -0.318 3.643 3.960 0.000 0.000 0.260 405 G C 0.165 175.011 174.900 -0.089 0.000 0.852 405 G CA 0.788 45.803 45.100 -0.141 0.000 1.281 405 G HN 0.203 nan 8.290 nan 0.000 0.378 406 R N -1.482 119.030 120.500 0.021 0.000 3.157 406 R HA -0.158 4.182 4.340 0.000 0.000 0.259 406 R C 0.020 176.424 176.300 0.174 0.000 1.018 406 R CA 0.811 56.993 56.100 0.137 0.000 0.678 406 R CB -2.153 28.229 30.300 0.137 0.000 1.225 406 R HN 0.707 nan 8.270 nan 0.000 0.408 407 Y N 0.530 120.930 120.300 0.167 0.000 2.336 407 Y HA 0.201 4.751 4.550 0.000 0.000 0.331 407 Y C 1.616 177.428 175.900 -0.147 0.000 1.211 407 Y CA -0.077 58.057 58.100 0.058 0.000 1.346 407 Y CB 0.562 39.017 38.460 -0.009 0.000 1.271 407 Y HN 0.093 nan 8.280 nan 0.000 0.538 408 R N 2.112 122.392 120.500 -0.367 0.000 2.221 408 R HA 0.574 4.915 4.340 0.000 0.000 0.327 408 R C -1.648 174.358 176.300 -0.491 0.000 1.033 408 R CA -0.348 55.163 56.100 -0.982 0.000 0.887 408 R CB 0.627 29.863 30.300 -1.774 0.000 1.057 408 R HN 0.621 nan 8.270 nan 0.000 0.455 409 V N 4.284 123.944 119.914 -0.424 0.000 2.815 409 V HA 0.422 4.542 4.120 0.000 0.000 0.314 409 V C -0.950 174.945 176.094 -0.332 0.000 1.064 409 V CA -0.889 61.235 62.300 -0.293 0.000 0.952 409 V CB 2.211 33.913 31.823 -0.203 0.000 1.020 409 V HN 0.855 nan 8.190 nan 0.000 0.439 410 N N 4.389 122.898 118.700 -0.318 0.000 2.354 410 N HA 0.420 5.160 4.740 0.000 0.000 0.287 410 N C -0.357 174.890 175.510 -0.437 0.000 1.016 410 N CA -0.461 52.362 53.050 -0.379 0.000 0.871 410 N CB 1.926 40.203 38.487 -0.349 0.000 1.299 410 N HN 0.709 nan 8.380 nan 0.000 0.482 411 L N 0.269 121.153 121.223 -0.565 0.000 3.168 411 L HA 0.529 4.869 4.340 0.000 0.000 0.277 411 L C -0.138 176.347 176.870 -0.642 0.000 1.245 411 L CA -0.462 54.062 54.840 -0.527 0.000 1.035 411 L CB -0.173 41.672 42.059 -0.356 0.000 1.399 411 L HN 0.232 nan 8.230 nan 0.000 0.580 412 D N 0.976 120.969 120.400 -0.678 0.000 2.255 412 D HA 0.578 5.218 4.640 0.000 0.000 0.249 412 D C -0.866 175.205 176.300 -0.381 0.000 1.078 412 D CA 0.272 54.069 54.000 -0.338 0.000 0.896 412 D CB 1.164 41.835 40.800 -0.215 0.000 1.194 412 D HN 0.095 nan 8.370 nan 0.000 0.429 416 D N 1.562 122.026 120.400 0.107 0.000 2.885 416 D HA -0.028 4.612 4.640 0.000 0.000 0.234 416 D C 0.988 177.325 176.300 0.062 0.000 1.129 416 D CA 0.596 54.659 54.000 0.106 0.000 0.991 416 D CB 0.266 41.106 40.800 0.066 0.000 1.137 416 D HN 0.583 nan 8.370 nan 0.000 0.459 417 T N -4.313 110.274 114.554 0.054 0.000 3.129 417 T HA 0.076 4.426 4.350 0.000 0.000 0.251 417 T C 0.132 174.621 174.700 -0.352 0.000 1.117 417 T CA -0.423 61.575 62.100 -0.171 0.000 1.034 417 T CB -0.372 68.341 68.868 -0.258 0.000 0.968 417 T HN 0.182 nan 8.240 nan 0.000 0.526 418 W N 2.296 123.600 121.300 0.007 0.000 2.478 418 W HA 0.540 5.201 4.660 0.000 0.000 0.318 418 W C 0.050 176.571 176.519 0.004 0.000 1.062 418 W CA -1.353 55.994 57.345 0.003 0.000 1.210 418 W CB 1.071 30.543 29.460 0.020 0.000 1.325 418 W HN -0.205 nan 8.180 nan 0.000 0.496 419 K N 3.899 124.409 120.400 0.183 0.000 2.448 419 K HA 0.060 4.380 4.320 0.000 0.000 0.278 419 K C -2.136 174.630 176.600 0.278 0.000 1.009 419 K CA -1.311 55.076 56.287 0.167 0.000 0.995 419 K CB -0.011 32.510 32.500 0.035 0.000 0.917 419 K HN -0.012 nan 8.250 nan 0.000 0.481 420 P HA -0.085 nan 4.420 nan 0.000 0.260 420 P C 0.458 177.781 177.300 0.037 0.000 1.185 420 P CA 0.913 64.082 63.100 0.113 0.000 0.763 420 P CB 0.419 32.167 31.700 0.079 0.000 0.776 421 G N 2.311 111.077 108.800 -0.058 0.000 2.155 421 G HA2 -0.308 3.652 3.960 0.000 0.000 0.257 421 G HA3 -0.308 3.652 3.960 0.000 0.000 0.257 421 G C 0.244 174.933 174.900 -0.352 0.000 0.983 421 G CA -0.104 44.864 45.100 -0.219 0.000 0.676 421 G HN 0.554 nan 8.290 nan 0.000 0.528 422 Y N -0.183 120.090 120.300 -0.046 0.000 2.706 422 Y HA 0.404 4.954 4.550 0.000 0.000 0.255 422 Y C 1.541 177.429 175.900 -0.020 0.000 1.163 422 Y CA 0.207 58.264 58.100 -0.072 0.000 1.174 422 Y CB 0.789 39.158 38.460 -0.152 0.000 1.200 422 Y HN 0.335 nan 8.280 nan 0.000 0.544 423 E N -0.417 119.780 120.200 -0.005 0.000 2.474 423 E HA 0.060 4.410 4.350 0.000 0.000 0.195 423 E C 0.600 176.983 176.600 -0.363 0.000 1.039 423 E CA -0.047 56.203 56.400 -0.252 0.000 0.881 423 E CB 0.499 30.022 29.700 -0.295 0.000 0.970 423 E HN 0.134 nan 8.360 nan 0.000 0.486 424 S N 0.721 116.283 115.700 -0.231 0.000 2.537 424 S HA 0.571 5.041 4.470 0.000 0.000 0.301 424 S C -0.551 173.911 174.600 -0.230 0.000 1.092 424 S CA -0.878 57.152 58.200 -0.284 0.000 1.048 424 S CB 1.217 64.236 63.200 -0.301 0.000 1.053 424 S HN 0.127 nan 8.310 nan 0.000 0.501 425 L N 3.270 124.310 121.223 -0.305 0.000 2.464 425 L HA 0.512 4.852 4.340 0.000 0.000 0.266 425 L C -2.016 174.708 176.870 -0.245 0.000 0.965 425 L CA -0.488 54.252 54.840 -0.167 0.000 0.833 425 L CB 1.774 43.765 42.059 -0.114 0.000 1.296 425 L HN 1.009 nan 8.230 nan 0.000 0.405 426 W N 5.355 126.648 121.300 -0.012 0.000 2.342 426 W HA 0.558 5.218 4.660 0.000 0.000 0.310 426 W C -0.096 176.439 176.519 0.026 0.000 1.128 426 W CA -0.296 57.048 57.345 -0.001 0.000 1.322 426 W CB 1.465 30.922 29.460 -0.005 0.000 1.251 426 W HN 0.187 nan 8.180 nan 0.000 0.439 427 V N 5.352 125.406 119.914 0.234 0.000 2.841 427 V HA 0.531 4.651 4.120 0.000 0.000 0.310 427 V C -0.180 176.042 176.094 0.213 0.000 1.090 427 V CA -1.129 61.272 62.300 0.169 0.000 0.930 427 V CB 1.899 33.754 31.823 0.053 0.000 1.014 427 V HN 0.552 nan 8.190 nan 0.000 0.425 445 L N -0.120 121.107 121.223 0.006 0.000 3.337 445 L HA 0.610 4.950 4.340 0.000 0.000 0.313 445 L C -0.069 176.770 176.870 -0.052 0.000 1.071 445 L CA 0.955 55.793 54.840 -0.003 0.000 1.192 445 L CB 1.266 43.301 42.059 -0.039 0.000 1.895 445 L HN 0.102 nan 8.230 nan 0.000 0.596 446 A N -0.526 122.248 122.820 -0.077 0.000 2.876 446 A HA 0.730 5.050 4.320 0.000 0.000 0.309 446 A C 0.265 177.804 177.584 -0.075 0.000 1.168 446 A CA 0.236 52.240 52.037 -0.054 0.000 0.762 446 A CB 0.004 19.019 19.000 0.026 0.000 1.262 446 A HN 0.234 nan 8.150 nan 0.000 0.435 447 G N 0.313 109.060 108.800 -0.087 0.000 4.299 447 G HA2 0.375 4.335 3.960 0.000 0.000 0.290 447 G HA3 0.375 4.335 3.960 0.000 0.000 0.290 447 G C 0.402 175.252 174.900 -0.084 0.000 1.019 447 G CA 0.673 45.722 45.100 -0.086 0.000 0.790 447 G HN 0.794 nan 8.290 nan 0.000 0.452 448 T N 0.190 114.689 114.554 -0.092 0.000 2.899 448 T HA 0.374 4.724 4.350 0.000 0.000 0.295 448 T C -0.181 174.470 174.700 -0.082 0.000 1.033 448 T CA -0.093 61.957 62.100 -0.084 0.000 1.084 448 T CB 1.105 69.915 68.868 -0.096 0.000 0.979 448 T HN 0.197 nan 8.240 nan 0.000 0.532 449 E N 2.044 122.215 120.200 -0.049 0.000 2.167 449 E HA 0.478 4.828 4.350 0.000 0.000 0.284 449 E C -0.112 176.461 176.600 -0.044 0.000 1.016 449 E CA -0.791 55.599 56.400 -0.018 0.000 0.817 449 E CB 1.365 31.086 29.700 0.035 0.000 1.080 449 E HN 0.583 nan 8.360 nan 0.000 0.397 450 V N -0.118 119.763 119.914 -0.056 0.000 3.103 450 V HA 0.631 4.751 4.120 0.000 0.000 0.318 450 V C -0.067 175.988 176.094 -0.066 0.000 1.114 450 V CA -0.895 61.356 62.300 -0.082 0.000 1.020 450 V CB 2.089 33.833 31.823 -0.133 0.000 1.085 450 V HN 0.432 nan 8.190 nan 0.000 0.446 451 S N 2.296 117.943 115.700 -0.087 0.000 2.449 451 S HA 0.695 5.165 4.470 0.000 0.000 0.310 451 S C -0.500 173.992 174.600 -0.181 0.000 1.096 451 S CA -0.449 57.688 58.200 -0.103 0.000 1.095 451 S CB 0.817 63.964 63.200 -0.087 0.000 1.007 451 S HN 0.580 nan 8.310 nan 0.000 0.474 452 I N 3.216 123.654 120.570 -0.220 0.000 2.321 452 I HA 0.550 4.720 4.170 0.000 0.000 0.291 452 I C 0.481 176.230 176.117 -0.613 0.000 0.998 452 I CA -0.477 60.571 61.300 -0.421 0.000 1.227 452 I CB 0.629 38.402 38.000 -0.379 0.000 1.368 452 I HN 0.619 nan 8.210 nan 0.000 0.466 453 A N 6.556 128.816 122.820 -0.933 0.000 2.346 453 A HA 0.922 5.242 4.320 0.000 0.000 0.313 453 A C -1.338 175.529 177.584 -1.195 0.000 1.140 453 A CA -0.426 51.068 52.037 -0.904 0.000 0.826 453 A CB 1.280 19.774 19.000 -0.843 0.000 1.332 453 A HN 0.464 nan 8.150 nan 0.000 0.457 454 F N 0.041 119.833 119.950 -0.263 0.000 2.562 454 F HA 0.359 4.886 4.527 0.000 0.000 0.319 454 F C 0.221 176.088 175.800 0.111 0.000 1.154 454 F CA -0.318 57.654 58.000 -0.046 0.000 0.931 454 F CB 2.055 41.031 39.000 -0.040 0.000 1.198 454 F HN 0.721 nan 8.300 nan 0.000 0.444 455 E N 4.064 124.485 120.200 0.368 0.000 2.366 455 E HA 0.052 4.402 4.350 0.000 0.000 0.266 455 E C 0.302 177.024 176.600 0.203 0.000 1.015 455 E CA 0.209 56.789 56.400 0.300 0.000 0.906 455 E CB 0.382 30.224 29.700 0.237 0.000 0.979 455 E HN 0.772 nan 8.360 nan 0.000 0.443 456 E N 2.767 123.062 120.200 0.158 0.000 2.365 456 E HA -0.338 4.012 4.350 0.000 0.000 0.237 456 E C 0.650 177.315 176.600 0.108 0.000 1.238 456 E CA 0.433 56.901 56.400 0.114 0.000 0.718 456 E CB -2.364 27.385 29.700 0.081 0.000 1.218 456 E HN 1.014 nan 8.360 nan 0.000 0.387 457 G N 0.096 108.977 108.800 0.136 0.000 2.184 457 G HA2 -0.405 3.555 3.960 0.000 0.000 0.264 457 G HA3 -0.405 3.555 3.960 0.000 0.000 0.264 457 G C 0.109 175.039 174.900 0.050 0.000 0.975 457 G CA 0.230 45.384 45.100 0.090 0.000 0.642 457 G HN 0.557 nan 8.290 nan 0.000 0.536 458 N N 1.317 120.081 118.700 0.108 0.000 2.442 458 N HA 0.270 5.010 4.740 0.000 0.000 0.265 458 N C -0.466 175.102 175.510 0.097 0.000 1.138 458 N CA -1.417 51.687 53.050 0.090 0.000 0.956 458 N CB 1.536 40.094 38.487 0.118 0.000 1.067 458 N HN 0.127 nan 8.380 nan 0.000 0.474 459 P HA -0.038 nan 4.420 nan 0.000 0.225 459 P C -0.264 177.144 177.300 0.180 0.000 1.148 459 P CA 1.001 64.014 63.100 -0.144 0.000 0.779 459 P CB 0.483 32.121 31.700 -0.103 0.000 0.780 460 D N -0.229 120.290 120.400 0.198 0.000 2.427 460 D HA 0.109 4.749 4.640 0.000 0.000 0.224 460 D C 0.535 176.969 176.300 0.223 0.000 1.157 460 D CA 0.139 54.269 54.000 0.218 0.000 0.828 460 D CB 0.155 41.060 40.800 0.175 0.000 0.974 460 D HN 0.214 nan 8.370 nan 0.000 0.498 461 R N 1.328 122.002 120.500 0.288 0.000 2.738 461 R HA 0.222 4.562 4.340 0.000 0.000 0.280 461 R C -2.623 173.831 176.300 0.257 0.000 1.456 461 R CA -1.186 55.065 56.100 0.251 0.000 1.612 461 R CB 1.704 32.136 30.300 0.221 0.000 1.286 461 R HN 0.032 nan 8.270 nan 0.000 0.660 462 P HA 0.191 nan 4.420 nan 0.000 0.284 462 P C -1.289 175.988 177.300 -0.039 0.000 1.258 462 P CA -0.290 62.699 63.100 -0.185 0.000 0.824 462 P CB 0.826 32.409 31.700 -0.194 0.000 1.038 463 Y N -0.976 119.170 120.300 -0.256 0.000 2.625 463 Y HA 0.612 5.163 4.550 0.000 0.000 0.338 463 Y C -0.885 174.920 175.900 -0.157 0.000 1.123 463 Y CA -1.585 56.436 58.100 -0.131 0.000 1.046 463 Y CB 0.640 39.060 38.460 -0.068 0.000 1.299 463 Y HN 0.106 nan 8.280 nan 0.000 0.464 464 I N 2.694 123.316 120.570 0.086 0.000 2.416 464 I HA 0.357 4.527 4.170 0.000 0.000 0.288 464 I C 0.732 176.904 176.117 0.092 0.000 1.051 464 I CA 0.015 61.309 61.300 -0.009 0.000 1.375 464 I CB 1.538 39.547 38.000 0.014 0.000 1.407 464 I HN 0.998 nan 8.210 nan 0.000 0.516 465 A N 5.178 127.967 122.820 -0.052 0.000 1.861 465 A HA 0.391 4.711 4.320 0.000 0.000 0.212 465 A C 1.263 178.882 177.584 0.059 0.000 1.199 465 A CA 0.961 53.022 52.037 0.039 0.000 0.613 465 A CB -0.164 18.794 19.000 -0.070 0.000 0.846 465 A HN 1.029 nan 8.150 nan 0.000 0.446 466 G N -1.247 107.559 108.800 0.009 0.000 2.329 466 G HA2 0.343 4.303 3.960 0.000 0.000 0.234 466 G HA3 0.343 4.303 3.960 0.000 0.000 0.234 466 G C -0.943 173.928 174.900 -0.048 0.000 2.693 466 G CA -0.237 44.843 45.100 -0.033 0.000 1.036 466 G HN 0.807 nan 8.290 nan 0.000 0.602 467 V N 2.090 121.980 119.914 -0.039 0.000 2.487 467 V HA 0.552 4.672 4.120 0.000 0.000 0.298 467 V C 0.503 176.574 176.094 -0.038 0.000 1.028 467 V CA -0.889 61.381 62.300 -0.051 0.000 0.860 467 V CB 1.767 33.559 31.823 -0.052 0.000 0.991 467 V HN 0.503 nan 8.190 nan 0.000 0.427 468 K N 0.000 120.376 120.400 -0.039 0.000 2.780 468 K HA 0.000 4.320 4.320 0.000 0.000 0.191 468 K CA 0.000 56.269 56.287 -0.029 0.000 0.838 468 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 468 K HN 0.000 nan 8.250 nan 0.000 0.543