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 1acb_1_E DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SGLXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.147 174.090 0.094 0.000 1.270 1 c CA 0.000 56.388 56.329 0.098 0.000 1.963 1 c CB 0.000 42.545 42.510 0.058 0.000 2.134 2 G N -0.042 108.815 108.800 0.094 0.000 2.168 2 G HA2 -0.040 3.926 3.960 0.009 0.000 0.257 2 G HA3 -0.040 3.926 3.960 0.009 0.000 0.257 2 G C -0.222 174.917 174.900 0.400 0.000 0.997 2 G CA 0.495 45.675 45.100 0.135 0.000 0.708 2 G HN 2.060 nan 8.290 nan 0.000 0.520 3 V N 1.593 121.720 119.914 0.355 0.000 2.443 3 V HA 0.364 4.490 4.120 0.009 0.000 0.272 3 V C -1.881 174.341 176.094 0.215 0.000 1.002 3 V CA -1.462 61.011 62.300 0.288 0.000 0.840 3 V CB 1.686 33.603 31.823 0.157 0.000 1.042 3 V HN 0.198 nan 8.190 nan 0.000 0.446 4 P HA 0.283 nan 4.420 nan 0.000 0.271 4 P C 0.959 178.234 177.300 -0.041 0.000 1.216 4 P CA -0.039 63.054 63.100 -0.011 0.000 0.771 4 P CB 1.399 32.974 31.700 -0.208 0.000 0.864 5 A N 3.915 126.696 122.820 -0.066 0.000 1.892 5 A HA -0.130 4.196 4.320 0.009 0.000 0.218 5 A C 1.039 178.567 177.584 -0.093 0.000 1.188 5 A CA 1.188 53.189 52.037 -0.061 0.000 0.631 5 A CB -1.044 17.919 19.000 -0.062 0.000 0.822 5 A HN 0.597 nan 8.150 nan 0.000 0.447 6 I N 0.731 121.208 120.570 -0.155 0.000 2.312 6 I HA 0.139 4.315 4.170 0.009 0.000 0.291 6 I C -0.254 175.716 176.117 -0.245 0.000 1.031 6 I CA -0.193 60.992 61.300 -0.193 0.000 1.293 6 I CB 1.307 39.175 38.000 -0.221 0.000 1.403 6 I HN 0.319 nan 8.210 nan 0.000 0.484 7 Q N 7.801 127.490 119.800 -0.184 0.000 2.304 7 Q HA 0.272 4.618 4.340 0.009 0.000 0.260 7 Q C -2.189 173.647 176.000 -0.273 0.000 0.965 7 Q CA -1.779 53.917 55.803 -0.178 0.000 0.898 7 Q CB 0.270 28.960 28.738 -0.081 0.000 1.196 7 Q HN 0.337 nan 8.270 nan 0.000 0.402 8 P HA 0.066 nan 4.420 nan 0.000 0.274 8 P C -0.926 176.274 177.300 -0.168 0.000 1.231 8 P CA -0.220 62.576 63.100 -0.506 0.000 0.790 8 P CB 0.702 31.831 31.700 -0.952 0.000 0.951 9 V N 4.201 124.058 119.914 -0.095 0.000 2.350 9 V HA 0.267 4.392 4.120 0.009 0.000 0.285 9 V C -0.312 175.823 176.094 0.068 0.000 1.014 9 V CA -0.499 61.798 62.300 -0.005 0.000 0.831 9 V CB 1.191 32.998 31.823 -0.028 0.000 1.000 9 V HN 0.360 nan 8.190 nan 0.000 0.433 10 L N 4.068 125.355 121.223 0.107 0.000 2.346 10 L HA 0.477 4.823 4.340 0.009 0.000 0.276 10 L C 1.428 178.353 176.870 0.092 0.000 1.006 10 L CA 0.373 55.294 54.840 0.135 0.000 0.817 10 L CB 2.012 44.196 42.059 0.208 0.000 1.272 10 L HN 0.718 nan 8.230 nan 0.000 0.421 11 S N 2.236 117.980 115.700 0.073 0.000 2.368 11 S HA -0.089 4.387 4.470 0.009 0.000 0.224 11 S C 1.649 176.284 174.600 0.058 0.000 1.029 11 S CA 1.222 59.454 58.200 0.053 0.000 0.988 11 S CB -0.275 62.950 63.200 0.041 0.000 0.838 11 S HN 0.801 nan 8.310 nan 0.000 0.462 12 G N 1.454 110.296 108.800 0.069 0.000 2.402 12 G HA2 0.266 4.232 3.960 0.009 0.000 0.216 12 G HA3 0.266 4.232 3.960 0.009 0.000 0.216 12 G C 0.511 175.463 174.900 0.086 0.000 1.162 12 G CA 1.116 46.258 45.100 0.070 0.000 0.777 12 G HN 0.564 nan 8.290 nan 0.000 0.539 17 V N 5.546 125.468 119.914 0.012 0.000 2.432 17 V HA 0.326 4.452 4.120 0.009 0.000 0.275 17 V C 0.635 176.735 176.094 0.011 0.000 1.043 17 V CA -0.052 62.261 62.300 0.022 0.000 0.925 17 V CB 0.998 32.846 31.823 0.042 0.000 0.985 17 V HN 0.985 nan 8.190 nan 0.000 0.466 18 N N 2.342 121.048 118.700 0.010 0.000 2.780 18 N HA -0.146 4.600 4.740 0.009 0.000 0.248 18 N C 0.449 175.958 175.510 -0.002 0.000 1.102 18 N CA 0.565 53.619 53.050 0.007 0.000 0.697 18 N CB -0.588 37.905 38.487 0.011 0.000 1.028 18 N HN 0.942 nan 8.380 nan 0.000 0.554 19 G N -0.064 108.728 108.800 -0.013 0.000 2.671 19 G HA2 0.595 4.561 3.960 0.009 0.000 0.275 19 G HA3 0.595 4.561 3.960 0.009 0.000 0.275 19 G C -0.405 174.489 174.900 -0.011 0.000 1.368 19 G CA -0.535 44.552 45.100 -0.022 0.000 1.044 19 G HN 0.332 nan 8.290 nan 0.000 0.543 20 E N -0.746 119.449 120.200 -0.008 0.000 2.263 20 E HA 0.406 4.761 4.350 0.009 0.000 0.264 20 E C -0.859 175.752 176.600 0.018 0.000 0.923 20 E CA -0.751 55.657 56.400 0.012 0.000 0.802 20 E CB 2.352 32.068 29.700 0.027 0.000 1.228 20 E HN 0.435 nan 8.360 nan 0.000 0.417 21 E N 0.816 121.040 120.200 0.040 0.000 2.344 21 E HA 0.266 4.622 4.350 0.009 0.000 0.270 21 E C -0.627 176.045 176.600 0.121 0.000 1.021 21 E CA -0.295 56.151 56.400 0.078 0.000 0.887 21 E CB 0.812 30.577 29.700 0.108 0.000 0.997 21 E HN 0.568 nan 8.360 nan 0.000 0.429 22 A N 3.465 126.395 122.820 0.183 0.000 2.296 22 A HA 0.269 4.595 4.320 0.009 0.000 0.264 22 A C -0.331 177.313 177.584 0.101 0.000 1.097 22 A CA -0.602 51.557 52.037 0.203 0.000 0.811 22 A CB 0.816 19.996 19.000 0.300 0.000 1.072 22 A HN 0.490 nan 8.150 nan 0.000 0.495 23 V N 2.649 122.520 119.914 -0.071 0.000 2.530 23 V HA 0.230 4.356 4.120 0.009 0.000 0.282 23 V C -2.017 173.862 176.094 -0.357 0.000 1.048 23 V CA -1.180 60.979 62.300 -0.235 0.000 0.997 23 V CB 0.868 32.546 31.823 -0.242 0.000 0.987 23 V HN 0.759 nan 8.190 nan 0.000 0.477 24 P HA 0.080 nan 4.420 nan 0.000 0.260 24 P C 0.952 178.047 177.300 -0.342 0.000 1.172 24 P CA 1.346 63.993 63.100 -0.755 0.000 0.760 24 P CB 0.247 31.367 31.700 -0.966 0.000 0.773 25 G N 2.944 111.637 108.800 -0.178 0.000 2.168 25 G HA2 -0.325 3.641 3.960 0.009 0.000 0.263 25 G HA3 -0.325 3.641 3.960 0.009 0.000 0.263 25 G C 0.980 175.681 174.900 -0.332 0.000 0.977 25 G CA 0.597 45.586 45.100 -0.186 0.000 0.659 25 G HN 0.603 nan 8.290 nan 0.000 0.533 26 S N -1.864 113.550 115.700 -0.476 0.000 2.562 26 S HA 0.208 4.683 4.470 0.009 0.000 0.221 26 S C 0.604 174.450 174.600 -1.257 0.000 0.975 26 S CA 0.509 58.236 58.200 -0.789 0.000 0.918 26 S CB -0.184 62.486 63.200 -0.884 0.000 0.772 26 S HN 0.630 nan 8.310 nan 0.000 0.531 27 W N 2.173 123.098 121.300 -0.625 0.000 2.148 27 W HA 0.438 5.102 4.660 0.006 0.000 0.288 27 W C -2.316 173.591 176.519 -1.020 0.000 0.920 27 W CA -2.181 54.512 57.345 -1.087 0.000 1.904 27 W CB 0.978 29.949 29.460 -0.815 0.000 2.083 27 W HN 0.076 nan 8.180 nan 0.000 0.398 28 P HA -0.178 nan 4.420 nan 0.000 0.222 28 P C 0.997 178.165 177.300 -0.220 0.000 1.147 28 P CA 1.494 64.344 63.100 -0.415 0.000 0.790 28 P CB -0.022 31.486 31.700 -0.319 0.000 0.780 29 W N -0.285 121.006 121.300 -0.015 0.000 2.905 29 W HA 0.262 4.925 4.660 0.004 0.000 0.251 29 W C 0.739 177.288 176.519 0.050 0.000 1.305 29 W CA -0.440 56.903 57.345 -0.003 0.000 1.465 29 W CB -1.619 27.849 29.460 0.012 0.000 1.122 29 W HN -0.117 nan 8.180 nan 0.000 0.659 30 Q N 2.845 122.660 119.800 0.024 0.000 2.289 30 Q HA 0.281 4.626 4.340 0.009 0.000 0.273 30 Q C -0.127 175.988 176.000 0.192 0.000 1.029 30 Q CA -0.049 55.820 55.803 0.111 0.000 0.896 30 Q CB 0.916 29.619 28.738 -0.058 0.000 1.182 30 Q HN 0.239 nan 8.270 nan 0.000 0.385 31 V N 0.854 120.904 119.914 0.227 0.000 3.019 31 V HA 0.829 4.954 4.120 0.009 0.000 0.317 31 V C -0.516 175.736 176.094 0.262 0.000 1.094 31 V CA -0.806 61.626 62.300 0.221 0.000 1.000 31 V CB 1.909 33.820 31.823 0.148 0.000 1.060 31 V HN 0.726 nan 8.190 nan 0.000 0.443 32 S N 1.585 117.377 115.700 0.153 0.000 2.454 32 S HA 0.748 5.224 4.470 0.009 0.000 0.306 32 S C -1.113 173.418 174.600 -0.114 0.000 1.100 32 S CA -0.515 57.722 58.200 0.062 0.000 1.087 32 S CB 0.966 64.057 63.200 -0.181 0.000 1.019 32 S HN 0.689 nan 8.310 nan 0.000 0.480 33 L N 4.760 125.774 121.223 -0.349 0.000 2.280 33 L HA 0.544 4.890 4.340 0.009 0.000 0.287 33 L C 0.111 176.617 176.870 -0.607 0.000 1.023 33 L CA 0.363 54.917 54.840 -0.476 0.000 0.819 33 L CB 1.250 42.879 42.059 -0.717 0.000 1.212 33 L HN 0.762 nan 8.230 nan 0.000 0.420 34 Q N 1.225 120.929 119.800 -0.160 0.000 2.387 34 Q HA 0.432 4.778 4.340 0.009 0.000 0.273 34 Q C -0.898 175.294 176.000 0.320 0.000 1.089 34 Q CA -1.042 54.809 55.803 0.079 0.000 0.824 34 Q CB 2.585 31.338 28.738 0.025 0.000 1.367 34 Q HN 0.652 nan 8.270 nan 0.000 0.443 35 D N 0.049 120.683 120.400 0.390 0.000 2.478 35 D HA 0.076 4.722 4.640 0.009 0.000 0.269 35 D C 0.380 176.762 176.300 0.137 0.000 1.232 35 D CA -0.420 53.724 54.000 0.240 0.000 1.059 35 D CB 0.682 41.567 40.800 0.142 0.000 1.104 35 D HN 0.318 nan 8.370 nan 0.000 0.566 36 K N -1.490 118.958 120.400 0.080 0.000 2.211 36 K HA -0.103 4.223 4.320 0.009 0.000 0.204 36 K C 1.734 178.364 176.600 0.051 0.000 1.047 36 K CA 1.238 57.555 56.287 0.049 0.000 0.935 36 K CB -0.142 32.372 32.500 0.023 0.000 0.728 36 K HN 0.387 nan 8.250 nan 0.000 0.452 37 T N -1.323 113.271 114.554 0.067 0.000 3.023 37 T HA 0.017 4.373 4.350 0.009 0.000 0.266 37 T C 1.018 175.773 174.700 0.091 0.000 1.093 37 T CA 1.130 63.271 62.100 0.068 0.000 1.129 37 T CB 0.149 69.055 68.868 0.064 0.000 0.899 37 T HN 0.556 nan 8.240 nan 0.000 0.491 38 G N 0.795 109.664 108.800 0.116 0.000 2.179 38 G HA2 -0.195 3.771 3.960 0.009 0.000 0.220 38 G HA3 -0.195 3.771 3.960 0.009 0.000 0.220 38 G C 0.028 175.015 174.900 0.145 0.000 0.990 38 G CA -0.217 44.940 45.100 0.094 0.000 0.646 38 G HN 0.532 nan 8.290 nan 0.000 0.517 39 F N 2.679 122.666 119.950 0.063 0.000 2.427 39 F HA 0.644 5.172 4.527 0.001 0.000 0.352 39 F C 0.750 176.647 175.800 0.162 0.000 1.100 39 F CA -0.894 57.163 58.000 0.096 0.000 1.191 39 F CB 0.560 39.616 39.000 0.093 0.000 1.128 39 F HN 0.287 nan 8.300 nan 0.000 0.533 40 H N 6.894 125.607 119.070 -0.596 0.000 2.800 40 H HA 0.205 4.768 4.556 0.012 0.000 0.291 40 H C -0.045 174.942 175.328 -0.568 0.000 1.076 40 H CA -0.166 55.577 56.048 -0.508 0.000 1.452 40 H CB 0.362 29.813 29.762 -0.518 0.000 1.461 40 H HN 0.611 nan 8.280 nan 0.000 0.488 41 F N 1.252 120.870 119.950 -0.554 0.000 2.727 41 F HA 0.416 4.933 4.527 -0.015 0.000 0.302 41 F C -0.147 175.468 175.800 -0.307 0.000 1.107 41 F CA -0.918 56.965 58.000 -0.196 0.000 1.277 41 F CB -0.263 38.822 39.000 0.142 0.000 1.079 41 F HN 0.386 nan 8.300 nan 0.000 0.594 42 c N 0.278 118.145 118.600 -1.222 0.000 3.311 42 c HA 0.789 5.364 4.570 0.009 0.000 0.325 42 c C 0.595 174.301 174.090 -0.640 0.000 1.352 42 c CA -0.603 55.308 56.329 -0.696 0.000 1.308 42 c CB 1.237 43.445 42.510 -0.504 0.000 1.619 42 c HN 0.678 nan 8.230 nan 0.000 0.469 43 G N -0.196 108.502 108.800 -0.171 0.000 2.601 43 G HA2 0.846 4.811 3.960 0.009 0.000 0.317 43 G HA3 0.846 4.811 3.960 0.009 0.000 0.317 43 G C -0.334 174.559 174.900 -0.012 0.000 1.246 43 G CA 0.160 45.283 45.100 0.039 0.000 1.012 43 G HN 1.452 nan 8.290 nan 0.000 0.494 44 G N -1.772 107.068 108.800 0.068 0.000 2.495 44 G HA2 0.572 4.538 3.960 0.009 0.000 0.294 44 G HA3 0.572 4.538 3.960 0.009 0.000 0.294 44 G C -1.323 173.662 174.900 0.141 0.000 1.397 44 G CA -0.201 44.945 45.100 0.076 0.000 0.790 44 G HN 1.147 nan 8.290 nan 0.000 0.486 45 S N -0.661 115.134 115.700 0.158 0.000 2.548 45 S HA 0.584 5.059 4.470 0.009 0.000 0.276 45 S C -0.615 174.114 174.600 0.214 0.000 1.129 45 S CA -0.619 57.712 58.200 0.217 0.000 0.931 45 S CB 1.779 65.116 63.200 0.229 0.000 1.068 45 S HN 0.633 nan 8.310 nan 0.000 0.480 46 L N 3.022 124.404 121.223 0.264 0.000 2.410 46 L HA 0.353 4.698 4.340 0.009 0.000 0.273 46 L C 1.228 178.244 176.870 0.244 0.000 1.152 46 L CA -0.094 54.913 54.840 0.278 0.000 0.855 46 L CB 0.408 42.656 42.059 0.316 0.000 1.129 46 L HN 0.824 nan 8.230 nan 0.000 0.463 47 I N -0.871 119.846 120.570 0.245 0.000 4.070 47 I HA 0.332 4.507 4.170 0.009 0.000 0.328 47 I C 0.250 176.512 176.117 0.240 0.000 1.298 47 I CA -0.132 61.275 61.300 0.178 0.000 1.173 47 I CB 0.148 38.206 38.000 0.096 0.000 1.051 47 I HN 0.682 nan 8.210 nan 0.000 0.409 48 N N 0.544 119.458 118.700 0.357 0.000 3.496 48 N HA 0.163 4.909 4.740 0.009 0.000 0.331 48 N C -0.566 175.147 175.510 0.339 0.000 1.532 48 N CA -0.623 52.636 53.050 0.349 0.000 0.863 48 N CB 0.704 39.346 38.487 0.260 0.000 1.927 48 N HN -0.001 nan 8.380 nan 0.000 0.529 49 E N 0.036 120.203 120.200 -0.054 0.000 2.400 49 E HA 0.150 4.506 4.350 0.009 0.000 0.195 49 E C 0.006 176.568 176.600 -0.062 0.000 1.012 49 E CA 0.521 56.748 56.400 -0.288 0.000 0.875 49 E CB 0.132 29.486 29.700 -0.576 0.000 0.859 49 E HN 0.326 nan 8.360 nan 0.000 0.498 50 N N -0.397 118.318 118.700 0.025 0.000 2.184 50 N HA 0.081 4.826 4.740 0.009 0.000 0.206 50 N C -0.803 174.606 175.510 -0.169 0.000 1.151 50 N CA 0.191 53.185 53.050 -0.093 0.000 0.878 50 N CB 0.658 39.045 38.487 -0.166 0.000 1.014 50 N HN 0.061 nan 8.380 nan 0.000 0.512 51 W N 0.325 121.665 121.300 0.067 0.000 3.127 51 W HA 0.549 5.229 4.660 0.033 0.000 0.330 51 W C -0.750 175.833 176.519 0.108 0.000 1.187 51 W CA -0.585 56.807 57.345 0.079 0.000 1.198 51 W CB 1.260 30.745 29.460 0.042 0.000 1.408 51 W HN -0.445 nan 8.180 nan 0.000 0.529 52 V N 3.052 123.193 119.914 0.379 0.000 2.656 52 V HA 0.589 4.715 4.120 0.009 0.000 0.307 52 V C -0.887 175.363 176.094 0.261 0.000 1.051 52 V CA -1.131 61.329 62.300 0.266 0.000 0.893 52 V CB 1.775 33.714 31.823 0.193 0.000 0.999 52 V HN 0.373 nan 8.190 nan 0.000 0.426 53 V N 4.362 124.396 119.914 0.201 0.000 2.630 53 V HA 0.906 5.032 4.120 0.009 0.000 0.305 53 V C -0.104 176.067 176.094 0.128 0.000 1.046 53 V CA 0.558 62.966 62.300 0.180 0.000 0.934 53 V CB 2.064 33.976 31.823 0.148 0.000 1.003 53 V HN 1.105 nan 8.190 nan 0.000 0.451 54 T N 3.796 118.413 114.554 0.105 0.000 2.626 54 T HA 0.739 5.094 4.350 0.009 0.000 0.299 54 T C -0.713 173.980 174.700 -0.011 0.000 1.181 54 T CA 0.074 62.194 62.100 0.033 0.000 1.053 54 T CB 1.326 70.197 68.868 0.006 0.000 1.566 54 T HN 1.429 nan 8.240 nan 0.000 0.486 55 A N 0.391 123.144 122.820 -0.111 0.000 2.304 55 A HA 0.748 5.073 4.320 0.009 0.000 0.301 55 A C 1.454 178.868 177.584 -0.284 0.000 1.132 55 A CA 0.273 52.187 52.037 -0.204 0.000 0.819 55 A CB 0.372 19.129 19.000 -0.404 0.000 1.094 55 A HN 1.200 nan 8.150 nan 0.000 0.492 56 A N 0.914 123.534 122.820 -0.333 0.000 1.930 56 A HA -0.148 4.178 4.320 0.009 0.000 0.217 56 A C 1.778 179.046 177.584 -0.526 0.000 1.175 56 A CA 1.742 53.463 52.037 -0.526 0.000 0.627 56 A CB -1.045 17.362 19.000 -0.988 0.000 0.815 56 A HN 1.102 nan 8.150 nan 0.000 0.443 57 H N -1.874 116.939 119.070 -0.427 0.000 2.561 57 H HA -0.052 4.512 4.556 0.013 0.000 0.278 57 H C 1.564 176.881 175.328 -0.018 0.000 1.014 57 H CA 1.136 57.093 56.048 -0.153 0.000 1.211 57 H CB -0.585 29.191 29.762 0.023 0.000 1.365 57 H HN 0.409 nan 8.280 nan 0.000 0.594 58 c N 1.075 119.485 118.600 -0.316 0.000 2.437 58 c HA 0.103 4.679 4.570 0.009 0.000 0.283 58 c C 2.012 176.177 174.090 0.125 0.000 1.424 58 c CA 0.957 57.279 56.329 -0.012 0.000 1.782 58 c CB -1.192 41.303 42.510 -0.026 0.000 1.833 58 c HN 0.935 nan 8.230 nan 0.000 0.532 59 G N 0.903 109.719 108.800 0.027 0.000 2.273 59 G HA2 -0.219 3.747 3.960 0.009 0.000 0.280 59 G HA3 -0.219 3.747 3.960 0.009 0.000 0.280 59 G C 0.086 174.993 174.900 0.012 0.000 1.047 59 G CA 0.330 45.435 45.100 0.007 0.000 0.869 59 G HN 0.430 nan 8.290 nan 0.000 0.502 60 V N 0.483 120.451 119.914 0.089 0.000 2.999 60 V HA 0.550 4.676 4.120 0.009 0.000 0.307 60 V C 1.162 177.286 176.094 0.050 0.000 1.084 60 V CA 0.926 63.305 62.300 0.132 0.000 1.155 60 V CB 1.203 33.123 31.823 0.163 0.000 0.975 60 V HN 1.135 nan 8.190 nan 0.000 0.490 61 T N -1.041 113.538 114.554 0.042 0.000 2.865 61 T HA 0.321 4.676 4.350 0.009 0.000 0.294 61 T C 0.963 175.670 174.700 0.012 0.000 1.119 61 T CA 0.070 62.172 62.100 0.004 0.000 1.007 61 T CB 1.627 70.481 68.868 -0.024 0.000 1.225 61 T HN 0.812 nan 8.240 nan 0.000 0.515 62 T N -1.222 113.325 114.554 -0.012 0.000 2.929 62 T HA -0.067 4.289 4.350 0.009 0.000 0.271 62 T C 1.978 176.676 174.700 -0.002 0.000 1.085 62 T CA 1.535 63.626 62.100 -0.015 0.000 1.125 62 T CB -0.627 68.220 68.868 -0.035 0.000 0.874 62 T HN 0.575 nan 8.240 nan 0.000 0.494 63 S N 0.788 116.488 115.700 -0.001 0.000 2.481 63 S HA 0.026 4.501 4.470 0.009 0.000 0.231 63 S C 0.456 175.073 174.600 0.029 0.000 0.996 63 S CA -0.060 58.142 58.200 0.004 0.000 0.942 63 S CB -0.491 62.703 63.200 -0.010 0.000 0.768 63 S HN 0.528 nan 8.310 nan 0.000 0.520 64 D N 0.520 120.954 120.400 0.056 0.000 2.348 64 D HA 0.339 4.984 4.640 0.009 0.000 0.249 64 D C -0.578 175.775 176.300 0.088 0.000 1.110 64 D CA -0.127 53.943 54.000 0.118 0.000 0.967 64 D CB 1.538 42.475 40.800 0.229 0.000 1.139 64 D HN 0.019 nan 8.370 nan 0.000 0.466 65 V N 0.866 120.835 119.914 0.092 0.000 2.769 65 V HA 0.283 4.409 4.120 0.009 0.000 0.312 65 V C -0.647 175.463 176.094 0.027 0.000 1.061 65 V CA -0.654 61.675 62.300 0.049 0.000 0.931 65 V CB 2.249 34.095 31.823 0.039 0.000 1.010 65 V HN 0.232 nan 8.190 nan 0.000 0.433 66 V N 6.453 126.381 119.914 0.023 0.000 2.350 66 V HA 0.395 4.521 4.120 0.009 0.000 0.276 66 V C -0.215 175.892 176.094 0.023 0.000 1.028 66 V CA -0.432 61.882 62.300 0.022 0.000 0.860 66 V CB 1.615 33.465 31.823 0.046 0.000 0.990 66 V HN 0.596 nan 8.190 nan 0.000 0.453 67 V N 5.078 124.994 119.914 0.005 0.000 2.370 67 V HA 0.792 4.918 4.120 0.009 0.000 0.279 67 V C 0.466 176.587 176.094 0.045 0.000 1.029 67 V CA -0.268 62.033 62.300 0.003 0.000 0.870 67 V CB 1.227 33.017 31.823 -0.054 0.000 0.984 67 V HN 0.950 nan 8.190 nan 0.000 0.451 68 A N 3.340 126.199 122.820 0.066 0.000 2.354 68 A HA 0.849 5.175 4.320 0.009 0.000 0.321 68 A C 1.026 178.666 177.584 0.094 0.000 1.125 68 A CA -0.051 52.047 52.037 0.102 0.000 0.799 68 A CB 1.399 20.472 19.000 0.121 0.000 1.293 68 A HN 1.946 nan 8.150 nan 0.000 0.452 69 G N -0.414 108.450 108.800 0.106 0.000 2.159 69 G HA2 -0.210 3.755 3.960 0.009 0.000 0.256 69 G HA3 -0.210 3.755 3.960 0.009 0.000 0.256 69 G C 0.171 175.147 174.900 0.126 0.000 0.977 69 G CA 0.663 45.818 45.100 0.091 0.000 0.652 69 G HN 1.028 nan 8.290 nan 0.000 0.531 70 E N -1.005 119.299 120.200 0.173 0.000 2.313 70 E HA 0.646 5.002 4.350 0.009 0.000 0.272 70 E C 0.669 177.525 176.600 0.426 0.000 1.038 70 E CA -0.721 55.806 56.400 0.211 0.000 0.863 70 E CB 0.479 30.208 29.700 0.048 0.000 1.060 70 E HN 0.280 nan 8.360 nan 0.000 0.402 71 F N 2.354 122.452 119.950 0.246 0.000 2.421 71 F HA 0.272 4.805 4.527 0.009 0.000 0.270 71 F C -0.342 175.673 175.800 0.358 0.000 0.894 71 F CA -0.110 58.050 58.000 0.268 0.000 1.128 71 F CB 0.756 39.812 39.000 0.094 0.000 1.011 71 F HN 0.401 nan 8.300 nan 0.000 0.788 72 D N 0.758 121.136 120.400 -0.037 0.000 2.481 72 D HA 0.210 4.855 4.640 0.009 0.000 0.246 72 D C 0.478 176.722 176.300 -0.093 0.000 1.109 72 D CA -0.132 53.779 54.000 -0.147 0.000 0.845 72 D CB 1.874 42.686 40.800 0.020 0.000 1.160 72 D HN 0.318 nan 8.370 nan 0.000 0.534 73 Q N 2.017 121.687 119.800 -0.217 0.000 2.181 73 Q HA -0.069 4.276 4.340 0.009 0.000 0.205 73 Q C 1.532 177.433 176.000 -0.165 0.000 0.980 73 Q CA 1.345 56.971 55.803 -0.296 0.000 0.862 73 Q CB 0.214 28.680 28.738 -0.453 0.000 0.905 73 Q HN 0.641 nan 8.270 nan 0.000 0.429 74 G N 0.003 108.738 108.800 -0.110 0.000 2.623 74 G HA2 -0.053 3.913 3.960 0.009 0.000 0.214 74 G HA3 -0.053 3.913 3.960 0.009 0.000 0.214 74 G C 0.602 175.487 174.900 -0.025 0.000 1.138 74 G CA -0.116 44.949 45.100 -0.059 0.000 0.794 74 G HN 0.116 nan 8.290 nan 0.000 0.535 75 S N -0.163 115.532 115.700 -0.008 0.000 2.592 75 S HA 0.368 4.843 4.470 0.009 0.000 0.271 75 S C 1.411 176.013 174.600 0.004 0.000 1.326 75 S CA 0.197 58.408 58.200 0.017 0.000 1.024 75 S CB 1.076 64.309 63.200 0.055 0.000 0.921 75 S HN 0.342 nan 8.310 nan 0.000 0.527 76 S N 1.369 117.074 115.700 0.010 0.000 2.629 76 S HA 0.250 4.726 4.470 0.009 0.000 0.236 76 S C 0.455 175.063 174.600 0.012 0.000 1.010 76 S CA -0.398 57.806 58.200 0.005 0.000 0.981 76 S CB 0.493 63.695 63.200 0.003 0.000 0.919 76 S HN 0.385 nan 8.310 nan 0.000 0.514 77 S N 1.876 117.589 115.700 0.021 0.000 2.592 77 S HA 0.333 4.809 4.470 0.009 0.000 0.243 77 S C -0.720 173.900 174.600 0.033 0.000 1.160 77 S CA -0.480 57.734 58.200 0.024 0.000 1.145 77 S CB -0.013 63.201 63.200 0.024 0.000 0.909 77 S HN 0.463 nan 8.310 nan 0.000 0.487 78 E N 1.049 121.270 120.200 0.035 0.000 2.222 78 E HA 0.284 4.640 4.350 0.009 0.000 0.267 78 E C -0.852 175.769 176.600 0.034 0.000 0.884 78 E CA -0.862 55.566 56.400 0.047 0.000 0.764 78 E CB 1.328 31.067 29.700 0.067 0.000 1.169 78 E HN -0.136 nan 8.360 nan 0.000 0.413 79 K N 2.989 123.409 120.400 0.033 0.000 2.480 79 K HA 0.196 4.521 4.320 0.009 0.000 0.241 79 K C 0.040 176.662 176.600 0.037 0.000 1.261 79 K CA -0.148 56.157 56.287 0.029 0.000 1.193 79 K CB -1.030 31.485 32.500 0.026 0.000 1.598 79 K HN 0.458 nan 8.250 nan 0.000 0.278 80 I N -1.698 118.893 120.570 0.035 0.000 2.713 80 I HA 0.302 4.477 4.170 0.009 0.000 0.300 80 I C -0.580 175.558 176.117 0.035 0.000 1.009 80 I CA -0.769 60.553 61.300 0.037 0.000 1.305 80 I CB 1.161 39.175 38.000 0.023 0.000 1.430 80 I HN 0.180 nan 8.210 nan 0.000 0.546 81 Q N 4.227 124.053 119.800 0.043 0.000 2.333 81 Q HA 0.469 4.815 4.340 0.009 0.000 0.268 81 Q C -1.360 174.661 176.000 0.035 0.000 1.007 81 Q CA -0.771 55.058 55.803 0.043 0.000 0.810 81 Q CB 2.341 31.116 28.738 0.061 0.000 1.264 81 Q HN 0.491 nan 8.270 nan 0.000 0.452 82 K N 3.529 123.943 120.400 0.024 0.000 2.281 82 K HA 0.418 4.743 4.320 0.009 0.000 0.272 82 K C -0.936 175.676 176.600 0.020 0.000 1.048 82 K CA -0.323 55.974 56.287 0.018 0.000 0.898 82 K CB 0.822 33.328 32.500 0.010 0.000 1.128 82 K HN 0.461 nan 8.250 nan 0.000 0.460 83 L N 2.819 124.057 121.223 0.025 0.000 2.325 83 L HA 0.443 4.788 4.340 0.009 0.000 0.278 83 L C 0.346 177.224 176.870 0.013 0.000 1.023 83 L CA -1.021 53.831 54.840 0.020 0.000 0.811 83 L CB 1.069 43.146 42.059 0.029 0.000 1.249 83 L HN 0.249 nan 8.230 nan 0.000 0.431 84 K N 2.614 123.014 120.400 0.001 0.000 2.098 84 K HA 0.566 4.892 4.320 0.009 0.000 0.257 84 K C -0.595 175.995 176.600 -0.016 0.000 0.999 84 K CA -0.499 55.785 56.287 -0.004 0.000 0.924 84 K CB 1.891 34.385 32.500 -0.011 0.000 1.028 84 K HN 0.488 nan 8.250 nan 0.000 0.466 85 I N 1.664 122.225 120.570 -0.016 0.000 2.354 85 I HA 0.123 4.299 4.170 0.009 0.000 0.292 85 I C 1.033 177.119 176.117 -0.052 0.000 0.989 85 I CA -0.320 60.962 61.300 -0.030 0.000 1.188 85 I CB 1.775 39.771 38.000 -0.006 0.000 1.342 85 I HN 0.689 nan 8.210 nan 0.000 0.457 86 A N 5.948 128.718 122.820 -0.083 0.000 1.887 86 A HA 0.150 4.476 4.320 0.009 0.000 0.212 86 A C 0.886 178.404 177.584 -0.110 0.000 1.198 86 A CA 1.054 53.036 52.037 -0.091 0.000 0.628 86 A CB 0.267 19.200 19.000 -0.111 0.000 0.847 86 A HN 0.714 nan 8.150 nan 0.000 0.449 87 K N -1.205 119.107 120.400 -0.147 0.000 2.546 87 K HA 0.552 4.878 4.320 0.009 0.000 0.264 87 K C -1.997 174.420 176.600 -0.304 0.000 0.937 87 K CA -0.501 55.624 56.287 -0.269 0.000 0.833 87 K CB 2.606 34.884 32.500 -0.370 0.000 1.378 87 K HN -0.009 nan 8.250 nan 0.000 0.432 88 V N 3.805 123.503 119.914 -0.360 0.000 2.398 88 V HA 0.494 4.620 4.120 0.009 0.000 0.286 88 V C -1.098 174.811 176.094 -0.309 0.000 1.026 88 V CA -0.600 61.591 62.300 -0.183 0.000 0.868 88 V CB 0.921 32.709 31.823 -0.058 0.000 0.982 88 V HN 0.543 nan 8.190 nan 0.000 0.443 89 F N 3.841 123.933 119.950 0.236 0.000 2.366 89 F HA 0.466 5.000 4.527 0.012 0.000 0.366 89 F C 0.368 176.408 175.800 0.400 0.000 1.096 89 F CA -0.615 57.576 58.000 0.318 0.000 1.060 89 F CB 1.121 40.329 39.000 0.347 0.000 1.282 89 F HN 0.282 nan 8.300 nan 0.000 0.450 90 K N 2.718 123.339 120.400 0.369 0.000 2.234 90 K HA 0.147 4.473 4.320 0.009 0.000 0.282 90 K C -0.037 176.646 176.600 0.137 0.000 1.039 90 K CA -0.562 55.839 56.287 0.191 0.000 0.928 90 K CB 0.736 33.286 32.500 0.083 0.000 1.039 90 K HN 0.493 nan 8.250 nan 0.000 0.470 91 N N 2.027 120.573 118.700 -0.257 0.000 2.452 91 N HA -0.077 4.669 4.740 0.009 0.000 0.266 91 N C 0.799 176.206 175.510 -0.173 0.000 1.209 91 N CA 0.425 53.099 53.050 -0.627 0.000 0.929 91 N CB 0.926 38.659 38.487 -1.257 0.000 1.063 91 N HN 0.629 nan 8.380 nan 0.000 0.472 92 S N 3.561 119.232 115.700 -0.049 0.000 2.440 92 S HA -0.125 4.351 4.470 0.009 0.000 0.240 92 S C 1.070 175.676 174.600 0.011 0.000 1.014 92 S CA 1.058 59.285 58.200 0.044 0.000 0.980 92 S CB -0.011 63.247 63.200 0.097 0.000 0.775 92 S HN 0.653 nan 8.310 nan 0.000 0.499 93 K N 0.112 120.482 120.400 -0.051 0.000 2.372 93 K HA 0.179 4.504 4.320 0.009 0.000 0.200 93 K C -0.235 176.349 176.600 -0.027 0.000 1.022 93 K CA -0.436 55.824 56.287 -0.045 0.000 1.125 93 K CB 0.140 32.606 32.500 -0.057 0.000 0.855 93 K HN 0.548 nan 8.250 nan 0.000 0.524 94 Y N 2.514 122.741 120.300 -0.122 0.000 2.632 94 Y HA -0.010 4.548 4.550 0.015 0.000 0.329 94 Y C -0.158 175.709 175.900 -0.055 0.000 1.174 94 Y CA -0.474 57.571 58.100 -0.092 0.000 1.469 94 Y CB 0.219 38.627 38.460 -0.087 0.000 1.242 94 Y HN -0.053 nan 8.280 nan 0.000 0.540 95 N N 4.070 122.406 118.700 -0.606 0.000 2.469 95 N HA 0.050 4.796 4.740 0.009 0.000 0.253 95 N C 0.463 175.448 175.510 -0.875 0.000 0.970 95 N CA 0.347 53.040 53.050 -0.595 0.000 0.940 95 N CB 1.313 39.627 38.487 -0.287 0.000 1.128 95 N HN 0.850 nan 8.380 nan 0.000 0.503 96 S N 3.225 118.409 115.700 -0.860 0.000 2.419 96 S HA -0.155 4.321 4.470 0.009 0.000 0.233 96 S C 1.664 176.080 174.600 -0.307 0.000 1.016 96 S CA 0.510 58.374 58.200 -0.560 0.000 0.974 96 S CB -0.024 63.023 63.200 -0.255 0.000 0.786 96 S HN 0.521 nan 8.310 nan 0.000 0.492 97 L N 2.178 123.230 121.223 -0.285 0.000 2.168 97 L HA 0.124 4.469 4.340 0.009 0.000 0.203 97 L C 2.629 179.347 176.870 -0.253 0.000 1.078 97 L CA 1.913 56.621 54.840 -0.220 0.000 0.780 97 L CB -0.681 41.273 42.059 -0.175 0.000 0.939 97 L HN 0.579 nan 8.230 nan 0.000 0.451 98 T N -3.500 110.901 114.554 -0.254 0.000 3.081 98 T HA 0.124 4.480 4.350 0.009 0.000 0.250 98 T C 0.914 175.438 174.700 -0.292 0.000 1.100 98 T CA 0.216 62.161 62.100 -0.258 0.000 1.038 98 T CB -0.065 68.704 68.868 -0.165 0.000 0.962 98 T HN 0.150 nan 8.240 nan 0.000 0.516 99 I N 0.726 121.140 120.570 -0.260 0.000 6.100 99 I HA -0.171 4.005 4.170 0.009 0.000 0.126 99 I C -0.115 176.047 176.117 0.076 0.000 1.820 99 I CA 0.046 61.294 61.300 -0.088 0.000 2.045 99 I CB -3.260 34.592 38.000 -0.248 0.000 3.435 99 I HN 0.447 nan 8.210 nan 0.000 0.171 100 N N 2.626 121.327 118.700 0.002 0.000 2.466 100 N HA 0.419 5.165 4.740 0.009 0.000 0.294 100 N C 0.572 176.156 175.510 0.123 0.000 1.129 100 N CA -0.071 53.028 53.050 0.082 0.000 0.931 100 N CB 0.820 39.321 38.487 0.023 0.000 1.193 100 N HN 0.211 nan 8.380 nan 0.000 0.500 101 N N 0.797 119.565 118.700 0.114 0.000 2.738 101 N HA -0.221 4.524 4.740 0.009 0.000 0.249 101 N C -1.313 174.264 175.510 0.111 0.000 1.047 101 N CA 0.527 53.616 53.050 0.066 0.000 0.707 101 N CB -1.083 37.400 38.487 -0.008 0.000 0.937 101 N HN 0.630 nan 8.380 nan 0.000 0.545 102 D N 1.130 121.630 120.400 0.167 0.000 2.551 102 D HA 0.434 5.080 4.640 0.009 0.000 0.223 102 D C -0.148 176.141 176.300 -0.019 0.000 1.144 102 D CA 0.032 54.105 54.000 0.121 0.000 1.025 102 D CB -0.181 40.767 40.800 0.247 0.000 1.085 102 D HN 0.463 nan 8.370 nan 0.000 0.506 103 I N 1.138 121.635 120.570 -0.122 0.000 2.656 103 I HA 0.341 4.517 4.170 0.009 0.000 0.292 103 I C -1.024 175.036 176.117 -0.095 0.000 1.144 103 I CA -0.269 60.983 61.300 -0.081 0.000 1.038 103 I CB 2.143 40.129 38.000 -0.025 0.000 1.244 103 I HN -0.047 nan 8.210 nan 0.000 0.420 104 T N 7.093 121.680 114.554 0.054 0.000 2.893 104 T HA 0.575 4.930 4.350 0.009 0.000 0.291 104 T C -1.209 173.698 174.700 0.346 0.000 1.028 104 T CA -0.525 61.690 62.100 0.191 0.000 0.995 104 T CB 1.641 70.555 68.868 0.075 0.000 1.051 104 T HN 0.214 nan 8.240 nan 0.000 0.470 105 L N 3.419 124.951 121.223 0.515 0.000 2.365 105 L HA 0.625 4.971 4.340 0.009 0.000 0.273 105 L C -1.349 175.870 176.870 0.582 0.000 1.000 105 L CA -0.839 54.308 54.840 0.510 0.000 0.819 105 L CB 1.745 44.062 42.059 0.431 0.000 1.284 105 L HN 0.442 nan 8.230 nan 0.000 0.418 106 L N 3.449 124.968 121.223 0.494 0.000 2.362 106 L HA 0.481 4.827 4.340 0.009 0.000 0.275 106 L C 0.105 177.080 176.870 0.175 0.000 0.998 106 L CA -0.558 54.473 54.840 0.317 0.000 0.820 106 L CB 1.503 43.663 42.059 0.168 0.000 1.270 106 L HN 0.427 nan 8.230 nan 0.000 0.415 107 K N 3.193 123.542 120.400 -0.086 0.000 2.211 107 K HA 0.533 4.858 4.320 0.009 0.000 0.275 107 K C -0.912 175.526 176.600 -0.269 0.000 1.024 107 K CA -0.556 55.414 56.287 -0.527 0.000 0.887 107 K CB 0.806 32.950 32.500 -0.592 0.000 1.084 107 K HN 0.540 nan 8.250 nan 0.000 0.463 108 L N 2.758 123.815 121.223 -0.277 0.000 2.331 108 L HA 0.080 4.425 4.340 0.009 0.000 0.278 108 L C 1.633 178.420 176.870 -0.137 0.000 1.106 108 L CA -0.173 54.583 54.840 -0.140 0.000 0.824 108 L CB 1.494 43.499 42.059 -0.090 0.000 1.142 108 L HN 0.755 nan 8.230 nan 0.000 0.443 109 S N 0.787 116.434 115.700 -0.088 0.000 2.382 109 S HA -0.069 4.407 4.470 0.009 0.000 0.228 109 S C 0.678 175.237 174.600 -0.068 0.000 1.027 109 S CA 1.126 59.281 58.200 -0.075 0.000 0.991 109 S CB 0.078 63.249 63.200 -0.049 0.000 0.823 109 S HN 0.760 nan 8.310 nan 0.000 0.469 110 T N 1.192 115.711 114.554 -0.058 0.000 2.881 110 T HA 0.642 4.998 4.350 0.009 0.000 0.290 110 T C -0.572 174.099 174.700 -0.048 0.000 1.000 110 T CA -0.493 61.578 62.100 -0.048 0.000 0.978 110 T CB 1.668 70.519 68.868 -0.028 0.000 0.997 110 T HN 0.268 nan 8.240 nan 0.000 0.443 111 A N 2.322 125.107 122.820 -0.058 0.000 2.520 111 A HA 0.596 4.922 4.320 0.009 0.000 0.235 111 A C 0.762 178.321 177.584 -0.042 0.000 1.065 111 A CA -0.209 51.788 52.037 -0.068 0.000 0.764 111 A CB -0.187 18.761 19.000 -0.088 0.000 1.002 111 A HN 1.093 nan 8.150 nan 0.000 0.502 112 A N 2.127 124.925 122.820 -0.037 0.000 2.340 112 A HA 0.560 4.886 4.320 0.009 0.000 0.268 112 A C 0.673 178.257 177.584 0.001 0.000 1.100 112 A CA 0.157 52.220 52.037 0.044 0.000 0.803 112 A CB 0.034 19.146 19.000 0.187 0.000 1.043 112 A HN 1.686 nan 8.150 nan 0.000 0.488 113 S N 2.012 117.764 115.700 0.087 0.000 2.410 113 S HA 0.583 5.059 4.470 0.009 0.000 0.304 113 S C -0.476 174.274 174.600 0.250 0.000 1.095 113 S CA -0.583 57.667 58.200 0.082 0.000 1.089 113 S CB 0.019 63.260 63.200 0.068 0.000 0.968 113 S HN 0.341 nan 8.310 nan 0.000 0.480 114 F N 3.067 123.044 119.950 0.046 0.000 2.471 114 F HA 0.476 5.006 4.527 0.004 0.000 0.353 114 F C 1.392 177.215 175.800 0.039 0.000 1.113 114 F CA -0.892 57.139 58.000 0.052 0.000 1.262 114 F CB 0.504 39.542 39.000 0.064 0.000 1.146 114 F HN 0.842 nan 8.300 nan 0.000 0.578 115 S N 1.630 117.441 115.700 0.186 0.000 2.880 115 S HA 0.260 4.735 4.470 0.009 0.000 0.308 115 S C 0.576 175.191 174.600 0.026 0.000 1.195 115 S CA -0.632 57.622 58.200 0.091 0.000 0.866 115 S CB 1.567 64.807 63.200 0.066 0.000 1.254 115 S HN 0.566 nan 8.310 nan 0.000 0.571 116 Q N 0.423 120.225 119.800 0.003 0.000 2.226 116 Q HA -0.092 4.254 4.340 0.009 0.000 0.204 116 Q C 1.134 177.090 176.000 -0.072 0.000 0.975 116 Q CA 1.985 57.767 55.803 -0.035 0.000 0.866 116 Q CB -0.925 27.790 28.738 -0.039 0.000 0.915 116 Q HN 0.831 nan 8.270 nan 0.000 0.440 117 T N -2.620 111.900 114.554 -0.056 0.000 3.054 117 T HA 0.390 4.746 4.350 0.009 0.000 0.255 117 T C 0.117 174.771 174.700 -0.077 0.000 1.035 117 T CA -0.396 61.657 62.100 -0.078 0.000 0.941 117 T CB 0.703 69.547 68.868 -0.039 0.000 1.026 117 T HN 0.046 nan 8.240 nan 0.000 0.533 118 V N 2.508 122.377 119.914 -0.075 0.000 2.447 118 V HA 0.767 4.893 4.120 0.009 0.000 0.292 118 V C -0.483 175.362 176.094 -0.416 0.000 1.021 118 V CA -0.443 61.798 62.300 -0.098 0.000 0.850 118 V CB 1.265 33.138 31.823 0.083 0.000 1.005 118 V HN 0.692 nan 8.190 nan 0.000 0.426 119 S N 3.595 118.938 115.700 -0.595 0.000 2.636 119 S HA 0.904 5.380 4.470 0.009 0.000 0.268 119 S C -0.672 173.595 174.600 -0.554 0.000 1.159 119 S CA -0.266 57.249 58.200 -1.142 0.000 0.815 119 S CB 1.799 64.679 63.200 -0.532 0.000 1.130 119 S HN 1.473 nan 8.310 nan 0.000 0.471 120 A N 0.575 123.164 122.820 -0.385 0.000 2.310 120 A HA 0.777 5.103 4.320 0.009 0.000 0.299 120 A C 0.079 177.735 177.584 0.120 0.000 1.147 120 A CA -0.636 51.455 52.037 0.089 0.000 0.818 120 A CB 0.919 20.079 19.000 0.267 0.000 1.096 120 A HN 1.532 nan 8.150 nan 0.000 0.495 121 V N 1.991 121.863 119.914 -0.069 0.000 2.863 121 V HA 0.380 4.505 4.120 0.009 0.000 0.307 121 V C 0.240 176.179 176.094 -0.258 0.000 1.061 121 V CA -0.606 61.348 62.300 -0.577 0.000 1.024 121 V CB 1.049 32.180 31.823 -1.154 0.000 1.049 121 V HN 1.026 nan 8.190 nan 0.000 0.471 122 c N 5.741 124.199 118.600 -0.237 0.000 2.459 122 c HA 0.485 5.061 4.570 0.009 0.000 0.374 122 c C 0.225 174.261 174.090 -0.090 0.000 1.241 122 c CA -0.850 55.422 56.329 -0.095 0.000 2.352 122 c CB 0.072 42.557 42.510 -0.041 0.000 2.490 122 c HN 0.728 nan 8.230 nan 0.000 0.583 123 L N 3.467 124.667 121.223 -0.038 0.000 2.334 123 L HA 0.448 4.793 4.340 0.009 0.000 0.275 123 L C -1.904 174.980 176.870 0.023 0.000 1.036 123 L CA -1.294 53.536 54.840 -0.018 0.000 0.807 123 L CB 1.210 43.260 42.059 -0.015 0.000 1.231 123 L HN 0.409 nan 8.230 nan 0.000 0.438 124 P HA 0.146 nan 4.420 nan 0.000 0.277 124 P C -0.872 176.470 177.300 0.070 0.000 1.271 124 P CA -0.495 62.681 63.100 0.127 0.000 0.795 124 P CB 0.965 32.802 31.700 0.229 0.000 1.101 125 S N -0.852 114.882 115.700 0.057 0.000 2.525 125 S HA 0.498 4.974 4.470 0.009 0.000 0.290 125 S C 1.376 175.991 174.600 0.024 0.000 1.152 125 S CA -0.078 58.134 58.200 0.021 0.000 1.072 125 S CB 0.632 63.831 63.200 -0.002 0.000 1.027 125 S HN 0.452 nan 8.310 nan 0.000 0.500 126 A N 3.336 126.168 122.820 0.020 0.000 1.971 126 A HA -0.117 4.208 4.320 0.009 0.000 0.222 126 A C 2.067 179.661 177.584 0.016 0.000 1.182 126 A CA 2.473 54.526 52.037 0.026 0.000 0.649 126 A CB -1.144 17.868 19.000 0.021 0.000 0.818 126 A HN 1.506 nan 8.150 nan 0.000 0.458 127 S N -1.135 114.563 115.700 -0.004 0.000 2.582 127 S HA 0.216 4.691 4.470 0.009 0.000 0.234 127 S C -0.077 174.491 174.600 -0.054 0.000 0.961 127 S CA -0.333 57.855 58.200 -0.020 0.000 0.953 127 S CB -0.193 62.993 63.200 -0.024 0.000 0.800 127 S HN 0.368 nan 8.310 nan 0.000 0.471 128 D N 2.065 122.423 120.400 -0.070 0.000 2.393 128 D HA 0.467 5.113 4.640 0.009 0.000 0.246 128 D C -0.627 175.535 176.300 -0.229 0.000 1.275 128 D CA 0.206 54.097 54.000 -0.182 0.000 0.979 128 D CB 0.821 41.497 40.800 -0.205 0.000 1.101 128 D HN 0.428 nan 8.370 nan 0.000 0.505 129 D N -1.198 118.943 120.400 -0.432 0.000 2.934 129 D HA 0.337 4.983 4.640 0.009 0.000 0.230 129 D C -1.631 174.315 176.300 -0.589 0.000 1.204 129 D CA -0.474 53.321 54.000 -0.342 0.000 0.873 129 D CB 0.658 41.342 40.800 -0.195 0.000 1.645 129 D HN 0.035 nan 8.370 nan 0.000 0.502 130 F N 2.196 122.136 119.950 -0.017 0.000 2.532 130 F HA 0.586 5.119 4.527 0.010 0.000 0.365 130 F C 0.601 176.389 175.800 -0.019 0.000 1.112 130 F CA -0.932 57.055 58.000 -0.022 0.000 1.082 130 F CB 1.457 40.441 39.000 -0.028 0.000 1.319 130 F HN 0.397 nan 8.300 nan 0.000 0.457 131 A N 1.995 124.876 122.820 0.101 0.000 2.520 131 A HA 0.578 4.904 4.320 0.009 0.000 0.235 131 A C 0.522 178.145 177.584 0.064 0.000 1.065 131 A CA 0.013 52.086 52.037 0.060 0.000 0.764 131 A CB 0.023 19.041 19.000 0.029 0.000 1.002 131 A HN 0.889 nan 8.150 nan 0.000 0.502 132 A N 0.812 123.659 122.820 0.045 0.000 2.462 132 A HA 0.515 4.841 4.320 0.009 0.000 0.243 132 A C 1.616 179.218 177.584 0.030 0.000 1.076 132 A CA 0.744 52.803 52.037 0.037 0.000 0.773 132 A CB -0.495 18.526 19.000 0.035 0.000 1.010 132 A HN 2.750 nan 8.150 nan 0.000 0.493 133 G N 1.350 110.164 108.800 0.024 0.000 2.258 133 G HA2 -0.223 3.742 3.960 0.009 0.000 0.233 133 G HA3 -0.223 3.742 3.960 0.009 0.000 0.233 133 G C 0.594 175.506 174.900 0.020 0.000 1.006 133 G CA 0.376 45.488 45.100 0.020 0.000 0.620 133 G HN 1.268 nan 8.290 nan 0.000 0.511 134 T N 2.955 117.526 114.554 0.029 0.000 2.866 134 T HA 0.391 4.747 4.350 0.009 0.000 0.293 134 T C 0.712 175.423 174.700 0.018 0.000 1.005 134 T CA 1.260 63.382 62.100 0.036 0.000 1.162 134 T CB 0.637 69.548 68.868 0.071 0.000 0.968 134 T HN 0.370 nan 8.240 nan 0.000 0.530 135 T N 4.514 119.082 114.554 0.023 0.000 2.794 135 T HA 0.382 4.738 4.350 0.009 0.000 0.296 135 T C 0.382 175.102 174.700 0.032 0.000 0.949 135 T CA -0.644 61.469 62.100 0.022 0.000 1.101 135 T CB 0.145 69.035 68.868 0.037 0.000 0.905 135 T HN 0.688 nan 8.240 nan 0.000 0.516 136 c N 2.563 121.165 118.600 0.004 0.000 3.157 136 c HA 0.880 5.455 4.570 0.009 0.000 0.368 136 c C -0.036 174.063 174.090 0.014 0.000 1.623 136 c CA -0.582 55.760 56.329 0.022 0.000 1.530 136 c CB 1.704 44.160 42.510 -0.089 0.000 2.152 136 c HN 0.649 nan 8.230 nan 0.000 0.456 137 V N 0.103 120.004 119.914 -0.023 0.000 3.040 137 V HA 0.797 4.923 4.120 0.009 0.000 0.312 137 V C -0.357 175.566 176.094 -0.285 0.000 1.115 137 V CA -0.238 61.962 62.300 -0.166 0.000 0.998 137 V CB 2.045 33.712 31.823 -0.260 0.000 1.042 137 V HN 0.948 nan 8.190 nan 0.000 0.433 138 T N 1.502 115.870 114.554 -0.310 0.000 2.903 138 T HA 0.789 5.145 4.350 0.009 0.000 0.299 138 T C -0.672 173.798 174.700 -0.382 0.000 1.093 138 T CA 0.025 61.955 62.100 -0.283 0.000 1.002 138 T CB 1.778 70.581 68.868 -0.108 0.000 1.127 138 T HN 1.096 nan 8.240 nan 0.000 0.488 139 T N -0.011 114.312 114.554 -0.385 0.000 2.901 139 T HA 0.948 5.304 4.350 0.009 0.000 0.293 139 T C 0.035 174.537 174.700 -0.331 0.000 1.084 139 T CA -0.390 61.430 62.100 -0.468 0.000 1.008 139 T CB 1.639 70.071 68.868 -0.726 0.000 1.170 139 T HN 1.288 nan 8.240 nan 0.000 0.509 140 G N -0.759 107.790 108.800 -0.418 0.000 2.328 140 G HA2 0.349 4.315 3.960 0.009 0.000 0.299 140 G HA3 0.349 4.315 3.960 0.009 0.000 0.299 140 G C -1.495 173.176 174.900 -0.381 0.000 1.435 140 G CA -0.903 44.000 45.100 -0.329 0.000 0.865 140 G HN 0.701 nan 8.290 nan 0.000 0.601 141 W N 1.492 122.675 121.300 -0.194 0.000 2.937 141 W HA 0.430 5.099 4.660 0.015 0.000 0.435 141 W C 1.003 177.375 176.519 -0.245 0.000 0.912 141 W CA -0.223 56.943 57.345 -0.298 0.000 2.209 141 W CB 0.944 30.082 29.460 -0.537 0.000 1.144 141 W HN 0.827 nan 8.180 nan 0.000 0.762 142 G N 0.657 109.484 108.800 0.045 0.000 2.634 142 G HA2 0.353 4.318 3.960 0.009 0.000 0.255 142 G HA3 0.353 4.318 3.960 0.009 0.000 0.255 142 G C 0.061 174.986 174.900 0.041 0.000 1.205 142 G CA -0.702 44.437 45.100 0.065 0.000 0.884 142 G HN 0.011 nan 8.290 nan 0.000 0.549 143 L N -0.175 121.086 121.223 0.062 0.000 2.529 143 L HA 0.010 4.356 4.340 0.009 0.000 0.287 143 L C 2.072 178.969 176.870 0.045 0.000 1.241 143 L CA 0.408 55.283 54.840 0.058 0.000 0.857 143 L CB 0.551 42.665 42.059 0.092 0.000 1.113 143 L HN 0.806 nan 8.230 nan 0.000 0.504 144 T N -0.746 113.828 114.554 0.033 0.000 3.057 144 T HA 0.099 4.455 4.350 0.009 0.000 0.254 144 T C 0.607 175.332 174.700 0.042 0.000 1.094 144 T CA -0.026 62.089 62.100 0.026 0.000 1.088 144 T CB 0.158 69.033 68.868 0.011 0.000 0.934 144 T HN 0.599 nan 8.240 nan 0.000 0.497 145 R N -0.145 120.387 120.500 0.055 0.000 2.561 145 R HA 0.448 4.793 4.340 0.009 0.000 0.266 145 R C -1.536 174.822 176.300 0.096 0.000 1.091 145 R CA -1.000 55.144 56.100 0.073 0.000 0.927 145 R CB 1.153 31.474 30.300 0.035 0.000 1.240 145 R HN 0.243 nan 8.270 nan 0.000 0.449 150 N N 1.192 119.889 118.700 -0.005 0.000 2.295 150 N HA 0.659 5.405 4.740 0.009 0.000 0.293 150 N C -1.027 174.491 175.510 0.014 0.000 1.040 150 N CA 0.262 53.315 53.050 0.004 0.000 0.840 150 N CB 2.175 40.663 38.487 0.002 0.000 1.468 150 N HN 0.880 nan 8.380 nan 0.000 0.478 151 T N 0.517 115.075 114.554 0.006 0.000 3.060 151 T HA 0.407 4.763 4.350 0.009 0.000 0.367 151 T C -2.437 172.251 174.700 -0.020 0.000 1.229 151 T CA -1.465 60.631 62.100 -0.006 0.000 1.104 151 T CB 0.835 69.692 68.868 -0.018 0.000 1.083 151 T HN 0.304 nan 8.240 nan 0.000 0.524 152 P HA 0.105 nan 4.420 nan 0.000 0.264 152 P C -0.013 177.293 177.300 0.011 0.000 1.173 152 P CA 0.124 63.224 63.100 0.000 0.000 0.761 152 P CB 0.842 32.544 31.700 0.003 0.000 0.794 153 D N 1.454 121.842 120.400 -0.019 0.000 2.162 153 D HA 0.005 4.651 4.640 0.009 0.000 0.205 153 D C 0.657 176.940 176.300 -0.029 0.000 0.964 153 D CA 1.030 54.995 54.000 -0.059 0.000 0.847 153 D CB 0.196 40.956 40.800 -0.067 0.000 0.988 153 D HN 0.399 nan 8.370 nan 0.000 0.480 154 R N 0.896 121.331 120.500 -0.108 0.000 2.265 154 R HA 0.295 4.641 4.340 0.009 0.000 0.319 154 R C -0.251 175.808 176.300 -0.402 0.000 1.006 154 R CA -0.919 54.934 56.100 -0.412 0.000 0.880 154 R CB 1.524 31.567 30.300 -0.429 0.000 1.077 154 R HN -0.003 nan 8.270 nan 0.000 0.454 155 L N 3.281 124.087 121.223 -0.694 0.000 2.615 155 L HA -0.144 4.202 4.340 0.009 0.000 0.284 155 L C -0.253 176.358 176.870 -0.432 0.000 1.237 155 L CA 1.250 55.523 54.840 -0.944 0.000 0.905 155 L CB 0.295 41.807 42.059 -0.911 0.000 1.149 155 L HN 0.492 nan 8.230 nan 0.000 0.499 156 Q N 4.824 124.370 119.800 -0.424 0.000 2.297 156 Q HA 0.507 4.853 4.340 0.009 0.000 0.269 156 Q C -1.125 174.725 176.000 -0.250 0.000 1.051 156 Q CA -0.703 54.969 55.803 -0.218 0.000 0.869 156 Q CB 2.019 30.660 28.738 -0.162 0.000 1.346 156 Q HN 0.763 nan 8.270 nan 0.000 0.457 157 Q N -1.045 118.657 119.800 -0.164 0.000 2.553 157 Q HA 0.909 5.255 4.340 0.009 0.000 0.293 157 Q C -1.680 174.242 176.000 -0.131 0.000 1.038 157 Q CA -1.242 54.426 55.803 -0.225 0.000 0.777 157 Q CB 2.336 30.970 28.738 -0.172 0.000 1.487 157 Q HN 0.582 nan 8.270 nan 0.000 0.426 158 A N 0.747 123.476 122.820 -0.151 0.000 2.589 158 A HA 0.642 4.968 4.320 0.009 0.000 0.296 158 A C -1.232 176.304 177.584 -0.079 0.000 1.062 158 A CA -0.699 51.290 52.037 -0.079 0.000 0.686 158 A CB 2.096 21.060 19.000 -0.061 0.000 1.282 158 A HN 0.589 nan 8.150 nan 0.000 0.404 159 S N 0.616 116.301 115.700 -0.026 0.000 2.554 159 S HA 0.739 5.215 4.470 0.009 0.000 0.278 159 S C -0.647 173.941 174.600 -0.020 0.000 1.242 159 S CA -0.382 57.814 58.200 -0.006 0.000 1.051 159 S CB 0.625 63.845 63.200 0.034 0.000 0.986 159 S HN 0.972 nan 8.310 nan 0.000 0.502 160 L N 0.709 121.913 121.223 -0.033 0.000 2.518 160 L HA 0.716 5.062 4.340 0.009 0.000 0.257 160 L C -3.056 173.787 176.870 -0.045 0.000 0.980 160 L CA -2.449 52.367 54.840 -0.040 0.000 0.837 160 L CB 0.315 42.342 42.059 -0.054 0.000 1.410 160 L HN 0.273 nan 8.230 nan 0.000 0.410 161 P HA 0.426 nan 4.420 nan 0.000 0.286 161 P C -0.724 176.546 177.300 -0.049 0.000 1.261 161 P CA -0.443 62.639 63.100 -0.029 0.000 0.821 161 P CB 1.310 33.004 31.700 -0.010 0.000 1.013 162 L N 2.397 123.593 121.223 -0.045 0.000 2.436 162 L HA 0.274 4.620 4.340 0.009 0.000 0.265 162 L C 0.489 177.352 176.870 -0.011 0.000 1.168 162 L CA -0.318 54.492 54.840 -0.050 0.000 0.815 162 L CB 0.039 42.083 42.059 -0.025 0.000 1.109 162 L HN 0.260 nan 8.230 nan 0.000 0.462 163 L N 0.673 121.896 121.223 -0.001 0.000 2.279 163 L HA 0.480 4.826 4.340 0.009 0.000 0.262 163 L C 0.135 177.031 176.870 0.044 0.000 1.019 163 L CA -0.385 54.472 54.840 0.029 0.000 0.823 163 L CB 1.825 43.910 42.059 0.042 0.000 1.358 163 L HN 0.615 nan 8.230 nan 0.000 0.432 164 S N -1.167 114.567 115.700 0.055 0.000 2.616 164 S HA 0.322 4.798 4.470 0.009 0.000 0.277 164 S C 0.560 175.204 174.600 0.074 0.000 1.234 164 S CA -0.624 57.610 58.200 0.058 0.000 1.028 164 S CB 0.957 64.188 63.200 0.051 0.000 0.988 164 S HN 0.554 nan 8.310 nan 0.000 0.522 165 N N 1.421 120.166 118.700 0.074 0.000 2.094 165 N HA -0.119 4.627 4.740 0.009 0.000 0.191 165 N C 1.788 177.356 175.510 0.097 0.000 1.023 165 N CA 1.891 54.994 53.050 0.090 0.000 0.857 165 N CB -0.932 37.605 38.487 0.084 0.000 1.013 165 N HN 0.819 nan 8.380 nan 0.000 0.426 166 T N -0.059 114.540 114.554 0.075 0.000 2.788 166 T HA -0.043 4.312 4.350 0.009 0.000 0.268 166 T C 1.491 176.236 174.700 0.074 0.000 1.044 166 T CA 1.455 63.596 62.100 0.068 0.000 1.139 166 T CB -0.305 68.592 68.868 0.048 0.000 0.867 166 T HN 0.348 nan 8.240 nan 0.000 0.454 167 N N -0.678 118.073 118.700 0.085 0.000 2.300 167 N HA -0.025 4.721 4.740 0.009 0.000 0.179 167 N C 2.120 177.738 175.510 0.180 0.000 1.016 167 N CA 0.849 53.961 53.050 0.103 0.000 0.876 167 N CB -0.199 38.356 38.487 0.113 0.000 0.979 167 N HN 0.366 nan 8.380 nan 0.000 0.432 168 c N 1.706 120.420 118.600 0.189 0.000 2.425 168 c HA -0.043 4.533 4.570 0.009 0.000 0.277 168 c C 2.510 176.782 174.090 0.304 0.000 1.280 168 c CA 0.874 57.368 56.329 0.274 0.000 1.744 168 c CB -0.841 41.794 42.510 0.207 0.000 1.989 168 c HN 0.363 nan 8.230 nan 0.000 0.491 169 K N 0.698 121.219 120.400 0.201 0.000 2.211 169 K HA -0.169 4.157 4.320 0.009 0.000 0.204 169 K C 1.860 178.515 176.600 0.090 0.000 1.047 169 K CA 1.409 57.797 56.287 0.169 0.000 0.935 169 K CB -0.108 32.464 32.500 0.120 0.000 0.728 169 K HN 0.584 nan 8.250 nan 0.000 0.452 170 K N -0.717 119.691 120.400 0.013 0.000 2.442 170 K HA -0.161 4.164 4.320 0.009 0.000 0.198 170 K C 1.091 177.472 176.600 -0.366 0.000 1.044 170 K CA 1.098 57.273 56.287 -0.187 0.000 0.948 170 K CB -0.033 32.279 32.500 -0.314 0.000 0.762 170 K HN 0.301 nan 8.250 nan 0.000 0.472 171 Y N -1.705 118.507 120.300 -0.146 0.000 2.506 171 Y HA 0.046 4.602 4.550 0.010 0.000 0.287 171 Y C 1.289 176.951 175.900 -0.397 0.000 1.147 171 Y CA 0.230 58.075 58.100 -0.424 0.000 1.241 171 Y CB 0.205 38.206 38.460 -0.764 0.000 1.279 171 Y HN 0.030 nan 8.280 nan 0.000 0.527 172 W N 0.007 121.465 121.300 0.264 0.000 3.008 172 W HA 0.453 5.120 4.660 0.012 0.000 0.355 172 W C 1.362 177.995 176.519 0.189 0.000 1.095 172 W CA 0.307 57.804 57.345 0.253 0.000 1.738 172 W CB 0.292 29.960 29.460 0.347 0.000 1.091 172 W HN 0.241 nan 8.180 nan 0.000 0.574 173 G N 1.693 110.669 108.800 0.292 0.000 2.611 173 G HA2 -0.466 3.500 3.960 0.009 0.000 0.301 173 G HA3 -0.466 3.500 3.960 0.009 0.000 0.301 173 G C 0.985 176.002 174.900 0.195 0.000 1.233 173 G CA 1.576 46.789 45.100 0.189 0.000 0.993 173 G HN 0.276 nan 8.290 nan 0.000 0.553 174 T N -0.719 113.923 114.554 0.147 0.000 3.215 174 T HA 0.272 4.628 4.350 0.009 0.000 0.254 174 T C 1.734 176.516 174.700 0.135 0.000 1.149 174 T CA 1.470 63.642 62.100 0.119 0.000 1.042 174 T CB 0.118 69.030 68.868 0.073 0.000 0.966 174 T HN 0.604 nan 8.240 nan 0.000 0.534 175 K N 0.468 120.989 120.400 0.201 0.000 2.288 175 K HA 0.105 4.431 4.320 0.009 0.000 0.201 175 K C 0.323 177.104 176.600 0.302 0.000 1.048 175 K CA 0.349 56.748 56.287 0.188 0.000 0.956 175 K CB 0.011 32.655 32.500 0.240 0.000 0.746 175 K HN 0.375 nan 8.250 nan 0.000 0.461 176 I N 2.933 123.698 120.570 0.326 0.000 2.396 176 I HA 0.037 4.212 4.170 0.009 0.000 0.289 176 I C 0.468 176.698 176.117 0.188 0.000 1.056 176 I CA 0.157 61.631 61.300 0.290 0.000 1.365 176 I CB 0.523 38.678 38.000 0.260 0.000 1.407 176 I HN -0.056 nan 8.210 nan 0.000 0.509 177 K N 4.786 125.287 120.400 0.170 0.000 2.303 177 K HA 0.346 4.671 4.320 0.009 0.000 0.233 177 K C 0.493 177.153 176.600 0.101 0.000 1.046 177 K CA -0.797 55.559 56.287 0.115 0.000 0.895 177 K CB 0.850 33.406 32.500 0.094 0.000 1.220 177 K HN 0.248 nan 8.250 nan 0.000 0.470 178 D N 0.882 121.329 120.400 0.078 0.000 2.144 178 D HA -0.109 4.537 4.640 0.009 0.000 0.199 178 D C 1.015 177.360 176.300 0.075 0.000 0.984 178 D CA 1.311 55.353 54.000 0.070 0.000 0.834 178 D CB -0.034 40.799 40.800 0.055 0.000 0.955 178 D HN 0.579 nan 8.370 nan 0.000 0.465 179 A N -0.219 122.648 122.820 0.078 0.000 2.359 179 A HA 0.250 4.576 4.320 0.009 0.000 0.240 179 A C 0.573 178.217 177.584 0.100 0.000 1.306 179 A CA -0.022 52.063 52.037 0.081 0.000 0.898 179 A CB -0.412 18.629 19.000 0.068 0.000 0.956 179 A HN 0.086 nan 8.150 nan 0.000 0.497 180 M N -0.420 119.243 119.600 0.105 0.000 2.602 180 M HA 0.621 5.107 4.480 0.009 0.000 0.312 180 M C -0.921 175.430 176.300 0.084 0.000 1.181 180 M CA -0.394 54.970 55.300 0.108 0.000 0.910 180 M CB 2.527 35.207 32.600 0.132 0.000 1.723 180 M HN 0.232 nan 8.290 nan 0.000 0.459 181 I N 0.924 121.541 120.570 0.078 0.000 2.656 181 I HA 0.493 4.668 4.170 0.009 0.000 0.292 181 I C -1.453 174.713 176.117 0.080 0.000 1.144 181 I CA -0.475 60.864 61.300 0.064 0.000 1.038 181 I CB 1.445 39.468 38.000 0.039 0.000 1.244 181 I HN 0.766 nan 8.210 nan 0.000 0.420 182 c N 5.868 124.498 118.600 0.051 0.000 2.365 182 c HA 0.990 5.566 4.570 0.009 0.000 0.349 182 c C 0.295 174.392 174.090 0.012 0.000 1.191 182 c CA -0.243 56.123 56.329 0.063 0.000 2.114 182 c CB 0.742 43.283 42.510 0.051 0.000 2.367 182 c HN 0.841 nan 8.230 nan 0.000 0.530 183 A N 1.290 124.139 122.820 0.049 0.000 2.574 183 A HA 0.929 5.255 4.320 0.009 0.000 0.297 183 A C -0.143 177.442 177.584 0.002 0.000 1.062 183 A CA 0.436 52.442 52.037 -0.051 0.000 0.686 183 A CB 0.985 19.815 19.000 -0.282 0.000 1.285 183 A HN 2.482 nan 8.150 nan 0.000 0.403 184 G N 0.020 108.798 108.800 -0.037 0.000 2.408 184 G HA2 0.525 4.491 3.960 0.009 0.000 0.204 184 G HA3 0.525 4.491 3.960 0.009 0.000 0.204 184 G C 0.781 175.641 174.900 -0.066 0.000 1.186 184 G CA 1.413 46.496 45.100 -0.028 0.000 1.139 184 G HN 2.627 nan 8.290 nan 0.000 0.563 185 A N -2.015 120.751 122.820 -0.089 0.000 2.847 185 A HA 0.117 4.443 4.320 0.009 0.000 0.263 185 A C 1.363 178.919 177.584 -0.046 0.000 1.391 185 A CA 2.536 54.500 52.037 -0.122 0.000 0.866 185 A CB -2.201 16.640 19.000 -0.264 0.000 1.057 185 A HN 2.595 nan 8.150 nan 0.000 0.673 186 S N -2.361 113.324 115.700 -0.025 0.000 2.711 186 S HA 0.533 5.009 4.470 0.009 0.000 0.247 186 S C 1.536 176.136 174.600 0.000 0.000 1.079 186 S CA 0.894 59.090 58.200 -0.006 0.000 1.050 186 S CB 0.202 63.399 63.200 -0.006 0.000 0.885 186 S HN 2.418 nan 8.310 nan 0.000 0.498 187 G N 0.335 109.136 108.800 0.002 0.000 2.179 187 G HA2 -0.213 3.753 3.960 0.009 0.000 0.220 187 G HA3 -0.213 3.753 3.960 0.009 0.000 0.220 187 G C 0.036 174.941 174.900 0.008 0.000 0.990 187 G CA 0.048 45.153 45.100 0.008 0.000 0.646 187 G HN 1.647 nan 8.290 nan 0.000 0.517 188 V N -2.800 117.117 119.914 0.005 0.000 3.130 188 V HA 0.983 5.109 4.120 0.009 0.000 0.310 188 V C -0.221 175.879 176.094 0.010 0.000 1.158 188 V CA -0.140 62.163 62.300 0.006 0.000 1.029 188 V CB 1.775 33.596 31.823 -0.003 0.000 1.057 188 V HN 1.440 nan 8.190 nan 0.000 0.436 189 S N 0.494 116.202 115.700 0.014 0.000 2.550 189 S HA 0.698 5.173 4.470 0.009 0.000 0.270 189 S C -0.505 174.106 174.600 0.019 0.000 1.145 189 S CA -0.111 58.101 58.200 0.021 0.000 0.852 189 S CB 1.990 65.206 63.200 0.027 0.000 1.119 189 S HN 1.506 nan 8.310 nan 0.000 0.465 190 S N 1.807 117.518 115.700 0.018 0.000 2.601 190 S HA 0.720 5.196 4.470 0.009 0.000 0.271 190 S C -0.061 174.541 174.600 0.003 0.000 1.305 190 S CA -0.635 57.566 58.200 0.003 0.000 1.022 190 S CB 0.993 64.181 63.200 -0.021 0.000 0.940 190 S HN 0.879 nan 8.310 nan 0.000 0.525 191 c N 1.696 120.311 118.600 0.024 0.000 3.340 191 c HA 0.598 5.174 4.570 0.009 0.000 0.333 191 c C -0.720 173.419 174.090 0.081 0.000 1.464 191 c CA -1.040 55.322 56.329 0.055 0.000 1.337 191 c CB 0.885 43.440 42.510 0.075 0.000 1.740 191 c HN 0.935 nan 8.230 nan 0.000 0.450 192 M N 2.536 122.204 119.600 0.113 0.000 2.409 192 M HA 0.322 4.807 4.480 0.009 0.000 0.376 192 M C 1.228 177.619 176.300 0.151 0.000 1.631 192 M CA 2.162 57.545 55.300 0.139 0.000 0.987 192 M CB -0.344 32.355 32.600 0.165 0.000 2.090 192 M HN 1.112 nan 8.290 nan 0.000 0.474 193 G N 1.811 110.717 108.800 0.177 0.000 2.231 193 G HA2 -0.185 3.781 3.960 0.009 0.000 0.206 193 G HA3 -0.185 3.781 3.960 0.009 0.000 0.206 193 G C 0.632 175.693 174.900 0.269 0.000 0.996 193 G CA -0.011 45.236 45.100 0.246 0.000 0.645 193 G HN 0.622 nan 8.290 nan 0.000 0.498 194 D N 0.990 121.481 120.400 0.151 0.000 2.348 194 D HA 0.210 4.856 4.640 0.009 0.000 0.211 194 D C 1.446 177.791 176.300 0.075 0.000 0.998 194 D CA 0.637 54.698 54.000 0.101 0.000 0.873 194 D CB 0.190 41.015 40.800 0.043 0.000 0.925 194 D HN 0.334 nan 8.370 nan 0.000 0.524 195 S N -0.739 115.014 115.700 0.089 0.000 2.558 195 S HA 0.270 4.746 4.470 0.009 0.000 0.287 195 S C 1.587 176.178 174.600 -0.015 0.000 1.321 195 S CA 0.894 59.137 58.200 0.072 0.000 1.048 195 S CB 0.891 64.209 63.200 0.197 0.000 0.844 195 S HN 0.470 nan 8.310 nan 0.000 0.512 196 G N 1.727 110.501 108.800 -0.043 0.000 2.267 196 G HA2 -0.225 3.740 3.960 0.009 0.000 0.257 196 G HA3 -0.225 3.740 3.960 0.009 0.000 0.257 196 G C 0.490 175.398 174.900 0.015 0.000 0.998 196 G CA 0.242 45.311 45.100 -0.052 0.000 0.620 196 G HN 1.127 nan 8.290 nan 0.000 0.529 197 G N 0.720 109.542 108.800 0.035 0.000 2.621 197 G HA2 0.616 4.581 3.960 0.009 0.000 0.271 197 G HA3 0.616 4.581 3.960 0.009 0.000 0.271 197 G C -2.091 172.848 174.900 0.064 0.000 1.236 197 G CA -0.240 44.893 45.100 0.055 0.000 0.958 197 G HN 0.378 nan 8.290 nan 0.000 0.512 198 P HA 0.348 nan 4.420 nan 0.000 0.286 198 P C -0.981 176.301 177.300 -0.031 0.000 1.261 198 P CA -0.523 62.593 63.100 0.027 0.000 0.821 198 P CB 1.811 33.566 31.700 0.093 0.000 1.013 199 L N 4.070 125.249 121.223 -0.074 0.000 2.388 199 L HA 0.479 4.824 4.340 0.009 0.000 0.267 199 L C -0.822 175.928 176.870 -0.201 0.000 0.995 199 L CA -0.757 53.966 54.840 -0.195 0.000 0.864 199 L CB 1.178 42.991 42.059 -0.410 0.000 1.216 199 L HN 0.227 nan 8.230 nan 0.000 0.430 200 V N 1.098 120.921 119.914 -0.151 0.000 2.815 200 V HA 0.820 4.946 4.120 0.009 0.000 0.314 200 V C -0.317 175.809 176.094 0.053 0.000 1.064 200 V CA -0.637 61.623 62.300 -0.067 0.000 0.952 200 V CB 1.473 33.336 31.823 0.065 0.000 1.020 200 V HN 0.819 nan 8.190 nan 0.000 0.439 201 c N 1.871 120.473 118.600 0.003 0.000 2.889 201 c HA 0.581 5.157 4.570 0.009 0.000 0.307 201 c C -0.090 173.999 174.090 -0.001 0.000 1.251 201 c CA -0.937 55.399 56.329 0.012 0.000 1.593 201 c CB 1.870 44.219 42.510 -0.269 0.000 2.104 201 c HN 0.983 nan 8.230 nan 0.000 0.476 202 K N 1.681 121.963 120.400 -0.197 0.000 2.284 202 K HA 0.248 4.574 4.320 0.009 0.000 0.287 202 K C -0.421 176.120 176.600 -0.098 0.000 1.081 202 K CA 0.059 56.116 56.287 -0.383 0.000 0.910 202 K CB 0.535 32.627 32.500 -0.680 0.000 1.088 202 K HN 0.503 nan 8.250 nan 0.000 0.478 203 K N 3.757 124.157 120.400 -0.000 0.000 2.334 203 K HA 0.105 4.430 4.320 0.009 0.000 0.265 203 K C -0.727 175.864 176.600 -0.016 0.000 1.039 203 K CA -0.324 56.009 56.287 0.076 0.000 0.920 203 K CB 0.371 33.001 32.500 0.216 0.000 1.160 203 K HN 0.483 nan 8.250 nan 0.000 0.451 204 N N 3.616 122.292 118.700 -0.040 0.000 2.727 204 N HA -0.181 4.564 4.740 0.009 0.000 0.251 204 N C 0.428 175.900 175.510 -0.063 0.000 1.040 204 N CA 1.376 54.398 53.050 -0.047 0.000 0.712 204 N CB -1.336 37.133 38.487 -0.030 0.000 0.912 204 N HN 1.070 nan 8.380 nan 0.000 0.545 205 G N -2.150 106.588 108.800 -0.104 0.000 2.189 205 G HA2 -0.118 3.848 3.960 0.009 0.000 0.267 205 G HA3 -0.118 3.848 3.960 0.009 0.000 0.267 205 G C 0.177 174.982 174.900 -0.158 0.000 0.975 205 G CA 1.004 46.027 45.100 -0.129 0.000 0.644 205 G HN 1.335 nan 8.290 nan 0.000 0.537 206 A N -0.812 121.917 122.820 -0.151 0.000 2.355 206 A HA 0.675 5.001 4.320 0.009 0.000 0.317 206 A C -0.384 177.132 177.584 -0.113 0.000 1.094 206 A CA -0.744 51.238 52.037 -0.091 0.000 0.764 206 A CB 0.839 19.834 19.000 -0.008 0.000 1.230 206 A HN 0.611 nan 8.150 nan 0.000 0.448 207 W N 1.795 123.105 121.300 0.017 0.000 2.304 207 W HA 0.458 5.125 4.660 0.012 0.000 0.313 207 W C 0.108 176.494 176.519 -0.221 0.000 1.323 207 W CA 0.451 57.770 57.345 -0.044 0.000 1.223 207 W CB 1.164 30.673 29.460 0.081 0.000 1.237 207 W HN 0.571 nan 8.180 nan 0.000 0.535 208 T N 4.413 118.990 114.554 0.037 0.000 2.829 208 T HA 0.332 4.688 4.350 0.009 0.000 0.280 208 T C -0.901 173.691 174.700 -0.180 0.000 0.999 208 T CA -0.841 61.215 62.100 -0.075 0.000 0.983 208 T CB 1.346 70.239 68.868 0.042 0.000 0.968 208 T HN 0.172 nan 8.240 nan 0.000 0.446 209 L N 4.517 125.624 121.223 -0.193 0.000 2.369 209 L HA 0.289 4.635 4.340 0.009 0.000 0.279 209 L C 0.734 177.491 176.870 -0.189 0.000 1.108 209 L CA 0.483 55.207 54.840 -0.193 0.000 0.852 209 L CB 0.300 42.269 42.059 -0.151 0.000 1.169 209 L HN 0.594 nan 8.230 nan 0.000 0.452 210 V N 4.316 124.062 119.914 -0.280 0.000 2.922 210 V HA 0.444 4.569 4.120 0.009 0.000 0.242 210 V C 1.005 177.012 176.094 -0.145 0.000 1.094 210 V CA 0.853 62.964 62.300 -0.316 0.000 1.106 210 V CB 0.157 31.613 31.823 -0.612 0.000 0.799 210 V HN 0.868 nan 8.190 nan 0.000 0.474 211 G N -0.747 107.973 108.800 -0.133 0.000 2.695 211 G HA2 0.701 4.667 3.960 0.009 0.000 0.290 211 G HA3 0.701 4.667 3.960 0.009 0.000 0.290 211 G C -1.682 173.259 174.900 0.068 0.000 1.410 211 G CA -0.562 44.526 45.100 -0.019 0.000 0.844 211 G HN 0.032 nan 8.290 nan 0.000 0.478 212 I N 0.806 121.474 120.570 0.163 0.000 2.436 212 I HA 0.247 4.423 4.170 0.009 0.000 0.289 212 I C 0.152 176.386 176.117 0.195 0.000 1.010 212 I CA -1.035 60.354 61.300 0.148 0.000 1.098 212 I CB 2.251 40.304 38.000 0.088 0.000 1.266 212 I HN 0.134 nan 8.210 nan 0.000 0.434 213 V N 5.467 125.477 119.914 0.160 0.000 2.539 213 V HA -0.081 4.044 4.120 0.009 0.000 0.300 213 V C 0.840 176.890 176.094 -0.073 0.000 1.019 213 V CA 0.922 63.171 62.300 -0.085 0.000 1.160 213 V CB 0.626 32.432 31.823 -0.028 0.000 0.901 213 V HN 0.976 nan 8.190 nan 0.000 0.481 214 S N 5.047 120.625 115.700 -0.205 0.000 3.393 214 S HA 0.371 4.847 4.470 0.009 0.000 0.209 214 S C -0.149 174.528 174.600 0.128 0.000 0.897 214 S CA -0.118 58.137 58.200 0.091 0.000 0.825 214 S CB 0.574 63.851 63.200 0.129 0.000 0.898 214 S HN 0.856 nan 8.310 nan 0.000 0.615 215 W N 0.264 121.400 121.300 -0.274 0.000 3.062 215 W HA 0.706 5.370 4.660 0.007 0.000 0.336 215 W C -0.260 176.028 176.519 -0.385 0.000 1.224 215 W CA -0.597 56.558 57.345 -0.316 0.000 1.159 215 W CB 0.410 29.666 29.460 -0.340 0.000 1.454 215 W HN 0.523 nan 8.180 nan 0.000 0.569 216 G N 0.378 109.139 108.800 -0.065 0.000 2.664 216 G HA2 0.386 4.351 3.960 0.009 0.000 0.303 216 G HA3 0.386 4.351 3.960 0.009 0.000 0.303 216 G C -1.200 173.677 174.900 -0.037 0.000 1.243 216 G CA -0.358 44.615 45.100 -0.211 0.000 0.826 216 G HN 0.761 nan 8.290 nan 0.000 0.498 217 S N -0.206 115.599 115.700 0.175 0.000 2.549 217 S HA 0.314 4.789 4.470 0.009 0.000 0.279 217 S C 1.549 176.194 174.600 0.076 0.000 1.321 217 S CA 0.807 59.191 58.200 0.306 0.000 1.054 217 S CB 1.199 64.577 63.200 0.297 0.000 0.899 217 S HN 0.706 nan 8.310 nan 0.000 0.497 218 S N 2.832 118.552 115.700 0.034 0.000 2.419 218 S HA -0.062 4.414 4.470 0.009 0.000 0.235 218 S C 1.442 175.800 174.600 -0.403 0.000 1.019 218 S CA 1.726 59.861 58.200 -0.109 0.000 0.982 218 S CB -0.347 62.817 63.200 -0.061 0.000 0.789 218 S HN 0.887 nan 8.310 nan 0.000 0.490 219 T N -0.421 113.911 114.554 -0.371 0.000 3.054 219 T HA 0.139 4.494 4.350 0.009 0.000 0.255 219 T C 0.626 175.203 174.700 -0.204 0.000 1.035 219 T CA 0.293 62.038 62.100 -0.591 0.000 0.941 219 T CB -0.157 68.565 68.868 -0.243 0.000 1.026 219 T HN 0.419 nan 8.240 nan 0.000 0.533 220 c N 2.855 121.410 118.600 -0.074 0.000 4.432 220 c HA -0.141 4.435 4.570 0.009 0.000 0.294 220 c C 1.060 175.173 174.090 0.038 0.000 1.398 220 c CA -0.073 56.270 56.329 0.023 0.000 1.988 220 c CB -3.157 39.398 42.510 0.076 0.000 1.251 220 c HN 0.706 nan 8.230 nan 0.000 0.791 221 S N 1.034 116.754 115.700 0.032 0.000 2.546 221 S HA 0.292 4.768 4.470 0.009 0.000 0.290 221 S C 1.422 176.039 174.600 0.029 0.000 1.290 221 S CA 0.813 59.034 58.200 0.034 0.000 1.069 221 S CB 0.812 64.031 63.200 0.031 0.000 0.846 221 S HN 0.943 nan 8.310 nan 0.000 0.495 222 T N 1.227 115.796 114.554 0.025 0.000 3.113 222 T HA 0.024 4.380 4.350 0.009 0.000 0.256 222 T C 1.403 176.102 174.700 -0.001 0.000 1.131 222 T CA 0.586 62.694 62.100 0.013 0.000 1.074 222 T CB -0.360 68.519 68.868 0.019 0.000 0.944 222 T HN 0.711 nan 8.240 nan 0.000 0.516 223 S N -0.185 115.516 115.700 0.001 0.000 2.557 223 S HA 0.270 4.746 4.470 0.009 0.000 0.223 223 S C 0.373 174.945 174.600 -0.045 0.000 0.969 223 S CA -0.593 57.607 58.200 0.001 0.000 0.927 223 S CB -0.066 63.152 63.200 0.030 0.000 0.806 223 S HN 0.319 nan 8.310 nan 0.000 0.489 224 T N 4.427 118.922 114.554 -0.098 0.000 2.887 224 T HA 0.584 4.939 4.350 0.009 0.000 0.288 224 T C -3.064 171.479 174.700 -0.262 0.000 1.021 224 T CA -1.661 60.278 62.100 -0.269 0.000 1.000 224 T CB 2.061 70.862 68.868 -0.110 0.000 1.034 224 T HN 0.078 nan 8.240 nan 0.000 0.467 225 P HA 0.351 nan 4.420 nan 0.000 0.279 225 P C -0.111 177.243 177.300 0.089 0.000 1.239 225 P CA -0.273 62.720 63.100 -0.179 0.000 0.789 225 P CB 0.659 32.186 31.700 -0.288 0.000 0.933 226 G N 1.120 109.935 108.800 0.027 0.000 2.477 226 G HA2 0.515 4.481 3.960 0.009 0.000 0.304 226 G HA3 0.515 4.481 3.960 0.009 0.000 0.304 226 G C -0.935 173.792 174.900 -0.288 0.000 1.175 226 G CA -0.540 44.465 45.100 -0.158 0.000 0.907 226 G HN 0.344 nan 8.290 nan 0.000 0.509 227 V N 0.497 119.927 119.914 -0.807 0.000 2.495 227 V HA 0.502 4.627 4.120 0.009 0.000 0.298 227 V C -1.197 174.439 176.094 -0.763 0.000 1.031 227 V CA -0.750 61.036 62.300 -0.856 0.000 0.871 227 V CB 0.906 31.704 31.823 -1.709 0.000 0.988 227 V HN 0.622 nan 8.190 nan 0.000 0.432 228 Y N 1.432 121.566 120.300 -0.276 0.000 2.536 228 Y HA 0.738 5.293 4.550 0.008 0.000 0.347 228 Y C 0.505 176.377 175.900 -0.046 0.000 1.000 228 Y CA -0.964 57.060 58.100 -0.126 0.000 1.051 228 Y CB 1.882 40.281 38.460 -0.102 0.000 1.259 228 Y HN 0.747 nan 8.280 nan 0.000 0.468 229 A N 2.788 125.706 122.820 0.163 0.000 2.491 229 A HA 0.253 4.579 4.320 0.009 0.000 0.261 229 A C 0.358 178.011 177.584 0.114 0.000 1.101 229 A CA -0.489 51.627 52.037 0.131 0.000 0.772 229 A CB -0.099 18.969 19.000 0.113 0.000 1.043 229 A HN 0.784 nan 8.150 nan 0.000 0.501 230 R N 3.875 124.433 120.500 0.098 0.000 2.309 230 R HA 0.226 4.572 4.340 0.009 0.000 0.331 230 R C 0.246 176.593 176.300 0.079 0.000 1.116 230 R CA -0.292 55.856 56.100 0.080 0.000 0.970 230 R CB 0.068 30.417 30.300 0.082 0.000 1.024 230 R HN 0.534 nan 8.270 nan 0.000 0.472 231 V N 3.517 123.471 119.914 0.067 0.000 2.469 231 V HA -0.247 3.879 4.120 0.009 0.000 0.251 231 V C 2.310 178.458 176.094 0.089 0.000 1.064 231 V CA 2.216 64.560 62.300 0.074 0.000 1.066 231 V CB -0.500 31.353 31.823 0.049 0.000 0.667 231 V HN 0.830 nan 8.190 nan 0.000 0.461 232 T N -0.052 114.562 114.554 0.101 0.000 2.778 232 T HA -0.214 4.142 4.350 0.009 0.000 0.269 232 T C 1.654 176.404 174.700 0.084 0.000 1.050 232 T CA 1.738 63.901 62.100 0.105 0.000 1.137 232 T CB -0.220 68.728 68.868 0.133 0.000 0.860 232 T HN 0.594 nan 8.240 nan 0.000 0.468 233 A N -0.519 122.351 122.820 0.082 0.000 2.251 233 A HA 0.417 4.743 4.320 0.009 0.000 0.209 233 A C 1.634 179.270 177.584 0.085 0.000 1.187 233 A CA 0.338 52.420 52.037 0.075 0.000 0.823 233 A CB -0.043 18.998 19.000 0.068 0.000 0.846 233 A HN 0.550 nan 8.150 nan 0.000 0.486 234 L N -2.041 119.244 121.223 0.103 0.000 3.086 234 L HA 0.167 4.513 4.340 0.009 0.000 0.274 234 L C 1.757 178.751 176.870 0.206 0.000 1.184 234 L CA 0.014 54.942 54.840 0.147 0.000 1.002 234 L CB 0.684 42.815 42.059 0.120 0.000 1.383 234 L HN 0.140 nan 8.230 nan 0.000 0.582 235 V N 0.666 120.658 119.914 0.130 0.000 2.490 235 V HA -0.257 3.868 4.120 0.009 0.000 0.250 235 V C 1.834 177.965 176.094 0.061 0.000 1.061 235 V CA 2.298 64.649 62.300 0.085 0.000 1.064 235 V CB -0.235 31.621 31.823 0.055 0.000 0.670 235 V HN 0.568 nan 8.190 nan 0.000 0.461 236 N N -1.527 117.224 118.700 0.085 0.000 2.188 236 N HA -0.211 4.534 4.740 0.009 0.000 0.184 236 N C 1.575 177.119 175.510 0.056 0.000 1.018 236 N CA 1.443 54.524 53.050 0.052 0.000 0.858 236 N CB -0.250 38.275 38.487 0.064 0.000 0.989 236 N HN 0.733 nan 8.380 nan 0.000 0.426 237 W N 1.591 122.870 121.300 -0.035 0.000 2.388 237 W HA -0.063 4.600 4.660 0.004 0.000 0.294 237 W C 1.680 178.146 176.519 -0.089 0.000 1.212 237 W CA 0.645 57.965 57.345 -0.041 0.000 1.271 237 W CB -0.337 29.119 29.460 -0.007 0.000 1.126 237 W HN -0.252 nan 8.180 nan 0.000 0.535 238 V N 1.127 120.991 119.914 -0.084 0.000 2.295 238 V HA -0.366 3.760 4.120 0.009 0.000 0.246 238 V C 2.310 178.103 176.094 -0.501 0.000 1.049 238 V CA 2.498 64.564 62.300 -0.390 0.000 1.024 238 V CB -1.175 30.571 31.823 -0.129 0.000 0.648 238 V HN 0.227 nan 8.190 nan 0.000 0.447 239 Q N -0.505 119.115 119.800 -0.300 0.000 2.096 239 Q HA -0.293 4.052 4.340 0.009 0.000 0.204 239 Q C 2.338 178.150 176.000 -0.312 0.000 0.982 239 Q CA 2.004 57.644 55.803 -0.271 0.000 0.850 239 Q CB -0.214 28.433 28.738 -0.153 0.000 0.901 239 Q HN 0.689 nan 8.270 nan 0.000 0.422 240 Q N -0.809 118.798 119.800 -0.322 0.000 2.172 240 Q HA -0.082 4.264 4.340 0.009 0.000 0.200 240 Q C 1.990 177.734 176.000 -0.427 0.000 0.964 240 Q CA 1.485 57.109 55.803 -0.297 0.000 0.855 240 Q CB 0.216 28.822 28.738 -0.221 0.000 0.918 240 Q HN 0.347 nan 8.270 nan 0.000 0.444 241 T N 1.020 115.155 114.554 -0.698 0.000 2.777 241 T HA -0.090 4.265 4.350 0.009 0.000 0.266 241 T C 1.564 175.788 174.700 -0.794 0.000 1.040 241 T CA 0.822 62.410 62.100 -0.853 0.000 1.141 241 T CB -0.023 68.074 68.868 -1.285 0.000 0.868 241 T HN 0.051 nan 8.240 nan 0.000 0.444 242 L N 1.354 122.078 121.223 -0.832 0.000 2.109 242 L HA 0.190 4.536 4.340 0.009 0.000 0.207 242 L C 2.860 179.518 176.870 -0.353 0.000 1.086 242 L CA 1.166 55.537 54.840 -0.780 0.000 0.760 242 L CB -1.729 39.788 42.059 -0.903 0.000 0.910 242 L HN 0.211 nan 8.230 nan 0.000 0.437 243 A N -0.037 122.605 122.820 -0.296 0.000 1.865 243 A HA -0.180 4.146 4.320 0.009 0.000 0.217 243 A C 2.396 179.908 177.584 -0.120 0.000 1.191 243 A CA 2.105 54.040 52.037 -0.170 0.000 0.623 243 A CB -0.931 17.978 19.000 -0.152 0.000 0.826 243 A HN 0.377 nan 8.150 nan 0.000 0.444 244 A N -1.054 121.680 122.820 -0.144 0.000 2.167 244 A HA 0.116 4.441 4.320 0.009 0.000 0.214 244 A C 0.912 178.479 177.584 -0.029 0.000 1.151 244 A CA 0.499 52.489 52.037 -0.079 0.000 0.735 244 A CB -0.265 18.683 19.000 -0.087 0.000 0.802 244 A HN 0.669 nan 8.150 nan 0.000 0.467 245 N N 0.000 118.688 118.700 -0.020 0.000 1.763 245 N HA 0.000 4.746 4.740 0.009 0.000 0.220 245 N CA 0.000 53.117 53.050 0.113 0.000 0.885 245 N CB 0.000 38.594 38.487 0.179 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667