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 1by7_1_A DATA FIRST_RESID 2 DATA SEQUENCE EDLcVANTLF ALNLFKHLAK ASPTQNLFLS PWSISSTMAM VYMGSRGSTE DATA SEQUENCE DQMAKVLQFN EVGXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXAAD DATA SEQUENCE KIHSSFRSLS SAINXXXXXX LLESVNKLFG EKSASFREEY IRLCQKYYSS DATA SEQUENCE EPQAVDFLEC AEEARKKINS WVKTQTKGKI PNLLPEGSVD GDTRMVLVNA DATA SEQUENCE VYFKGKWKTP FEKKXXXLYP FRVNSAQRTP VQMMYLREKL NIGYIEDLKA DATA SEQUENCE QILELPYAGD VSMFLLLPDE IADVSTGLEL LESEITYDKL NKWTSKDKMA DATA SEQUENCE EDEVEVYIPQ FKLEEHYELR SILRSMGMED AFNKGRANFS GMSERNDLFL DATA SEQUENCE SEVFHQAMVD VNEEGTXXXX XXXXXXXXXX XXXGPQFVAD HPFLFLIMHK DATA SEQUENCE ITNcILFFGR FSSP 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.564 176.600 -0.061 0.000 1.382 2 E CA 0.000 56.366 56.400 -0.057 0.000 0.976 2 E CB 0.000 nan 29.700 nan 0.000 0.812 3 D N 1.429 121.782 120.400 -0.078 0.000 2.234 3 D HA 0.049 4.681 4.640 -0.013 0.000 0.164 3 D C 0.460 176.705 176.300 -0.093 0.000 1.026 3 D CA -0.444 53.508 54.000 -0.079 0.000 0.924 3 D CB 0.617 41.396 40.800 -0.036 0.000 3.628 3 D HN 0.349 nan 8.370 nan 0.000 0.486 4 L N 1.565 122.690 121.223 -0.163 0.000 2.191 4 L HA -0.083 4.249 4.340 -0.013 0.000 0.212 4 L C 2.153 179.001 176.870 -0.037 0.000 1.103 4 L CA 0.895 55.617 54.840 -0.196 0.000 0.769 4 L CB -0.278 41.495 42.059 -0.477 0.000 0.908 4 L HN 0.533 nan 8.230 nan 0.000 0.438 5 c N -1.330 117.263 118.600 -0.012 0.000 2.464 5 c HA -0.038 4.524 4.570 -0.013 0.000 0.278 5 c C 2.756 176.898 174.090 0.087 0.000 1.375 5 c CA 0.017 56.383 56.329 0.061 0.000 1.761 5 c CB -0.230 42.313 42.510 0.056 0.000 1.944 5 c HN 0.315 nan 8.230 nan 0.000 0.509 6 V N 1.346 121.290 119.914 0.049 0.000 2.323 6 V HA -0.147 3.965 4.120 -0.013 0.000 0.244 6 V C 2.720 178.797 176.094 -0.028 0.000 1.041 6 V CA 2.150 64.465 62.300 0.024 0.000 1.025 6 V CB -1.186 30.599 31.823 -0.063 0.000 0.656 6 V HN 0.553 nan 8.190 nan 0.000 0.451 7 A N 0.652 123.474 122.820 0.003 0.000 1.877 7 A HA -0.309 4.003 4.320 -0.013 0.000 0.216 7 A C 2.061 179.713 177.584 0.112 0.000 1.186 7 A CA 2.400 54.463 52.037 0.044 0.000 0.620 7 A CB -0.957 18.137 19.000 0.157 0.000 0.822 7 A HN 0.616 nan 8.150 nan 0.000 0.443 8 N N -0.670 118.128 118.700 0.164 0.000 2.137 8 N HA -0.136 4.596 4.740 -0.013 0.000 0.190 8 N C 1.621 177.255 175.510 0.206 0.000 1.017 8 N CA 2.352 55.545 53.050 0.237 0.000 0.859 8 N CB -0.378 38.269 38.487 0.265 0.000 1.002 8 N HN 0.409 nan 8.380 nan 0.000 0.428 9 T N 0.433 115.083 114.554 0.161 0.000 2.812 9 T HA 0.017 4.359 4.350 -0.013 0.000 0.264 9 T C 1.848 176.620 174.700 0.120 0.000 1.042 9 T CA 0.871 63.063 62.100 0.153 0.000 1.140 9 T CB -0.224 68.804 68.868 0.266 0.000 0.870 9 T HN 0.143 nan 8.240 nan 0.000 0.445 10 L N 0.202 121.476 121.223 0.086 0.000 1.971 10 L HA -0.117 4.215 4.340 -0.013 0.000 0.215 10 L C 2.286 179.177 176.870 0.035 0.000 1.072 10 L CA 1.693 56.545 54.840 0.020 0.000 0.758 10 L CB -0.693 41.315 42.059 -0.085 0.000 0.889 10 L HN 0.203 nan 8.230 nan 0.000 0.433 11 F N 0.847 120.746 119.950 -0.084 0.000 2.095 11 F HA -0.269 4.249 4.527 -0.014 0.000 0.298 11 F C 2.424 178.159 175.800 -0.107 0.000 1.104 11 F CA 1.263 59.197 58.000 -0.109 0.000 1.232 11 F CB -0.536 38.392 39.000 -0.119 0.000 0.987 11 F HN 0.019 nan 8.300 nan 0.000 0.475 12 A N 0.603 123.302 122.820 -0.202 0.000 1.940 12 A HA -0.162 4.151 4.320 -0.013 0.000 0.219 12 A C 2.335 179.646 177.584 -0.457 0.000 1.176 12 A CA 2.007 53.810 52.037 -0.391 0.000 0.631 12 A CB -1.205 17.654 19.000 -0.236 0.000 0.814 12 A HN 0.525 nan 8.150 nan 0.000 0.446 13 L N -0.771 120.256 121.223 -0.327 0.000 2.072 13 L HA -0.147 4.185 4.340 -0.013 0.000 0.205 13 L C 2.524 179.318 176.870 -0.127 0.000 1.079 13 L CA 1.499 56.177 54.840 -0.270 0.000 0.752 13 L CB -0.610 41.365 42.059 -0.141 0.000 0.906 13 L HN 0.586 nan 8.230 nan 0.000 0.436 14 N N 0.424 119.045 118.700 -0.133 0.000 2.166 14 N HA -0.223 4.509 4.740 -0.013 0.000 0.186 14 N C 2.002 177.454 175.510 -0.097 0.000 1.019 14 N CA 0.888 53.903 53.050 -0.060 0.000 0.856 14 N CB 0.137 38.591 38.487 -0.056 0.000 0.993 14 N HN 0.148 nan 8.380 nan 0.000 0.426 15 L N 0.441 121.443 121.223 -0.369 0.000 2.027 15 L HA -0.072 4.260 4.340 -0.013 0.000 0.206 15 L C 2.038 178.773 176.870 -0.225 0.000 1.074 15 L CA 1.492 56.070 54.840 -0.437 0.000 0.745 15 L CB -0.982 40.557 42.059 -0.867 0.000 0.898 15 L HN 0.171 nan 8.230 nan 0.000 0.433 16 F N 0.529 120.279 119.950 -0.334 0.000 2.102 16 F HA -0.242 4.277 4.527 -0.014 0.000 0.298 16 F C 2.555 178.294 175.800 -0.101 0.000 1.105 16 F CA 2.275 60.144 58.000 -0.219 0.000 1.239 16 F CB -0.310 38.505 39.000 -0.309 0.000 0.991 16 F HN 0.095 nan 8.300 nan 0.000 0.474 17 K N -0.942 119.428 120.400 -0.051 0.000 2.063 17 K HA -0.250 4.062 4.320 -0.013 0.000 0.208 17 K C 1.967 178.443 176.600 -0.206 0.000 1.048 17 K CA 2.095 58.314 56.287 -0.113 0.000 0.928 17 K CB -0.353 32.139 32.500 -0.013 0.000 0.713 17 K HN 0.390 nan 8.250 nan 0.000 0.442 18 H N -0.312 118.643 119.070 -0.191 0.000 2.395 18 H HA -0.072 4.476 4.556 -0.013 0.000 0.299 18 H C 1.628 176.839 175.328 -0.194 0.000 1.070 18 H CA 1.205 57.155 56.048 -0.164 0.000 1.356 18 H CB 0.026 29.700 29.762 -0.145 0.000 1.401 18 H HN 0.077 nan 8.280 nan 0.000 0.524 19 L N 0.524 121.668 121.223 -0.132 0.000 2.083 19 L HA -0.029 4.304 4.340 -0.013 0.000 0.209 19 L C 2.203 178.939 176.870 -0.224 0.000 1.083 19 L CA 1.725 56.451 54.840 -0.190 0.000 0.752 19 L CB -1.015 40.876 42.059 -0.280 0.000 0.899 19 L HN 0.251 nan 8.230 nan 0.000 0.433 20 A N -1.253 121.337 122.820 -0.384 0.000 2.121 20 A HA -0.125 4.187 4.320 -0.013 0.000 0.218 20 A C 2.151 179.618 177.584 -0.196 0.000 1.154 20 A CA 0.970 52.786 52.037 -0.368 0.000 0.679 20 A CB -0.418 18.235 19.000 -0.579 0.000 0.795 20 A HN 0.326 nan 8.150 nan 0.000 0.458 21 K N 0.034 120.333 120.400 -0.168 0.000 2.057 21 K HA -0.040 4.272 4.320 -0.013 0.000 0.206 21 K C 2.165 178.722 176.600 -0.072 0.000 1.050 21 K CA 1.376 57.594 56.287 -0.114 0.000 0.935 21 K CB -0.622 31.805 32.500 -0.121 0.000 0.715 21 K HN 0.458 nan 8.250 nan 0.000 0.439 22 A N 0.568 123.352 122.820 -0.060 0.000 1.970 22 A HA -0.032 4.280 4.320 -0.013 0.000 0.216 22 A C 1.351 178.933 177.584 -0.004 0.000 1.170 22 A CA 1.142 53.167 52.037 -0.020 0.000 0.645 22 A CB 0.061 19.064 19.000 0.004 0.000 0.816 22 A HN 0.207 nan 8.150 nan 0.000 0.447 23 S N -0.414 115.274 115.700 -0.020 0.000 2.279 23 S HA 0.439 4.901 4.470 -0.013 0.000 0.176 23 S C -2.332 172.249 174.600 -0.031 0.000 1.554 23 S CA -1.028 57.175 58.200 0.006 0.000 1.242 23 S CB 1.207 64.449 63.200 0.069 0.000 1.163 23 S HN 0.166 nan 8.310 nan 0.000 0.449 24 P HA 0.098 nan 4.420 nan 0.000 0.236 24 P C 1.057 178.361 177.300 0.005 0.000 1.177 24 P CA 0.759 63.842 63.100 -0.029 0.000 0.773 24 P CB 0.183 31.869 31.700 -0.022 0.000 0.878 25 T N -5.285 109.278 114.554 0.016 0.000 3.098 25 T HA 0.060 4.403 4.350 -0.013 0.000 0.256 25 T C 0.893 175.605 174.700 0.021 0.000 0.921 25 T CA -0.246 61.870 62.100 0.025 0.000 0.916 25 T CB -0.491 68.387 68.868 0.016 0.000 1.246 25 T HN 0.190 nan 8.240 nan 0.000 0.511 26 Q N 2.040 121.853 119.800 0.021 0.000 2.500 26 Q HA 0.365 4.697 4.340 -0.013 0.000 0.215 26 Q C -0.486 175.534 176.000 0.033 0.000 1.062 26 Q CA -0.739 55.070 55.803 0.009 0.000 0.996 26 Q CB 0.067 28.817 28.738 0.020 0.000 1.239 26 Q HN 0.078 nan 8.270 nan 0.000 0.578 27 N N 0.315 119.018 118.700 0.005 0.000 2.356 27 N HA 0.106 4.838 4.740 -0.013 0.000 0.252 27 N C -1.085 174.557 175.510 0.220 0.000 1.241 27 N CA 0.301 53.387 53.050 0.060 0.000 0.861 27 N CB 0.239 38.744 38.487 0.029 0.000 1.075 27 N HN 0.588 nan 8.380 nan 0.000 0.461 28 L N 2.489 123.909 121.223 0.329 0.000 2.431 28 L HA 0.663 4.996 4.340 -0.013 0.000 0.266 28 L C -1.763 175.460 176.870 0.589 0.000 0.978 28 L CA -0.827 54.288 54.840 0.459 0.000 0.822 28 L CB 1.293 43.580 42.059 0.380 0.000 1.310 28 L HN 0.418 nan 8.230 nan 0.000 0.409 29 F N 6.165 126.403 119.950 0.480 0.000 2.651 29 F HA 0.657 5.177 4.527 -0.012 0.000 0.329 29 F C -1.826 174.305 175.800 0.552 0.000 1.186 29 F CA -0.694 57.571 58.000 0.441 0.000 1.046 29 F CB 1.541 40.803 39.000 0.436 0.000 1.296 29 F HN 0.369 nan 8.300 nan 0.000 0.497 30 L N 2.162 123.307 121.223 -0.131 0.000 2.600 30 L HA 0.808 5.141 4.340 -0.013 0.000 0.257 30 L C -1.071 175.837 176.870 0.062 0.000 1.048 30 L CA -1.012 53.913 54.840 0.142 0.000 0.869 30 L CB 1.739 43.881 42.059 0.139 0.000 1.482 30 L HN 0.394 nan 8.230 nan 0.000 0.408 31 S N 0.146 116.050 115.700 0.341 0.000 2.532 31 S HA 0.600 5.063 4.470 -0.013 0.000 0.318 31 S C -1.956 172.644 174.600 0.000 0.000 1.083 31 S CA -1.324 56.871 58.200 -0.009 0.000 1.131 31 S CB 0.846 64.049 63.200 0.005 0.000 0.973 31 S HN 0.606 nan 8.310 nan 0.000 0.468 32 P HA -0.071 nan 4.420 nan 0.000 0.215 32 P C 1.240 178.656 177.300 0.193 0.000 1.157 32 P CA 0.845 63.996 63.100 0.084 0.000 0.868 32 P CB -0.139 31.606 31.700 0.075 0.000 0.788 33 W N 1.662 122.953 121.300 -0.015 0.000 2.321 33 W HA -0.224 4.427 4.660 -0.016 0.000 0.306 33 W C 2.327 178.883 176.519 0.063 0.000 1.217 33 W CA 2.691 60.062 57.345 0.044 0.000 1.257 33 W CB -1.273 28.163 29.460 -0.040 0.000 1.145 33 W HN 0.026 nan 8.180 nan 0.000 0.509 34 S N -0.159 115.332 115.700 -0.348 0.000 2.406 34 S HA -0.174 4.288 4.470 -0.013 0.000 0.228 34 S C 1.903 176.330 174.600 -0.288 0.000 1.020 34 S CA 1.428 59.262 58.200 -0.610 0.000 0.965 34 S CB -0.872 62.084 63.200 -0.407 0.000 0.798 34 S HN 0.411 nan 8.310 nan 0.000 0.488 35 I N 1.831 122.310 120.570 -0.152 0.000 2.252 35 I HA -0.130 4.032 4.170 -0.013 0.000 0.245 35 I C 2.735 178.769 176.117 -0.137 0.000 1.102 35 I CA 1.146 62.376 61.300 -0.116 0.000 1.385 35 I CB -0.610 37.351 38.000 -0.066 0.000 1.064 35 I HN 0.306 nan 8.210 nan 0.000 0.414 36 S N 0.185 115.838 115.700 -0.077 0.000 2.359 36 S HA -0.231 4.232 4.470 -0.013 0.000 0.224 36 S C 2.189 176.627 174.600 -0.271 0.000 1.035 36 S CA 2.000 60.114 58.200 -0.144 0.000 1.018 36 S CB -0.362 62.930 63.200 0.152 0.000 0.876 36 S HN 0.481 nan 8.310 nan 0.000 0.448 37 S N 1.013 116.480 115.700 -0.388 0.000 2.368 37 S HA -0.134 4.328 4.470 -0.013 0.000 0.224 37 S C 2.209 176.455 174.600 -0.590 0.000 1.029 37 S CA 1.999 59.762 58.200 -0.730 0.000 0.988 37 S CB -0.774 62.154 63.200 -0.454 0.000 0.838 37 S HN 0.777 nan 8.310 nan 0.000 0.462 38 T N -0.046 114.268 114.554 -0.399 0.000 2.812 38 T HA 0.015 4.357 4.350 -0.013 0.000 0.264 38 T C 1.924 176.430 174.700 -0.323 0.000 1.042 38 T CA 1.059 62.954 62.100 -0.341 0.000 1.140 38 T CB -0.378 68.380 68.868 -0.184 0.000 0.870 38 T HN 0.236 nan 8.240 nan 0.000 0.445 39 M N 1.755 121.201 119.600 -0.256 0.000 2.213 39 M HA 0.207 4.679 4.480 -0.013 0.000 0.263 39 M C 2.830 179.044 176.300 -0.142 0.000 1.062 39 M CA 1.363 56.551 55.300 -0.188 0.000 1.105 39 M CB -1.691 30.783 32.600 -0.210 0.000 1.385 39 M HN 0.516 nan 8.290 nan 0.000 0.417 40 A N -0.038 122.658 122.820 -0.206 0.000 1.933 40 A HA -0.180 4.132 4.320 -0.013 0.000 0.218 40 A C 2.299 179.857 177.584 -0.043 0.000 1.175 40 A CA 1.700 53.758 52.037 0.035 0.000 0.628 40 A CB -0.682 18.159 19.000 -0.265 0.000 0.814 40 A HN 0.522 nan 8.150 nan 0.000 0.444 41 M N -0.401 118.806 119.600 -0.655 0.000 2.159 41 M HA -0.110 4.363 4.480 -0.013 0.000 0.263 41 M C 1.796 177.995 176.300 -0.168 0.000 1.063 41 M CA 1.618 56.468 55.300 -0.749 0.000 1.110 41 M CB -0.133 31.784 32.600 -1.139 0.000 1.374 41 M HN 0.231 nan 8.290 nan 0.000 0.411 42 V N -0.227 119.633 119.914 -0.091 0.000 2.453 42 V HA -0.264 3.848 4.120 -0.013 0.000 0.247 42 V C 2.130 178.344 176.094 0.200 0.000 1.048 42 V CA 1.738 64.055 62.300 0.027 0.000 1.049 42 V CB -1.062 30.735 31.823 -0.042 0.000 0.672 42 V HN 0.620 nan 8.190 nan 0.000 0.457 43 Y N 0.352 120.709 120.300 0.095 0.000 2.224 43 Y HA -0.274 4.268 4.550 -0.013 0.000 0.289 43 Y C 2.433 178.438 175.900 0.175 0.000 1.146 43 Y CA 2.090 60.279 58.100 0.149 0.000 1.182 43 Y CB -0.273 38.297 38.460 0.182 0.000 0.983 43 Y HN 0.220 nan 8.280 nan 0.000 0.524 44 M N -0.128 119.475 119.600 0.005 0.000 2.144 44 M HA -0.156 4.316 4.480 -0.013 0.000 0.260 44 M C 2.022 178.268 176.300 -0.089 0.000 1.067 44 M CA 2.220 57.401 55.300 -0.197 0.000 1.095 44 M CB -0.558 31.791 32.600 -0.419 0.000 1.365 44 M HN 0.432 nan 8.290 nan 0.000 0.406 45 G N -0.408 108.379 108.800 -0.022 0.000 2.848 45 G HA2 -0.010 3.943 3.960 -0.013 0.000 0.208 45 G HA3 -0.010 3.943 3.960 -0.013 0.000 0.208 45 G C 0.452 175.333 174.900 -0.031 0.000 1.152 45 G CA 0.470 45.439 45.100 -0.219 0.000 0.789 45 G HN 0.574 nan 8.290 nan 0.000 0.531 46 S N -0.459 115.212 115.700 -0.049 0.000 2.608 46 S HA 0.840 5.302 4.470 -0.013 0.000 0.291 46 S C -0.149 174.317 174.600 -0.223 0.000 1.146 46 S CA -0.837 57.232 58.200 -0.218 0.000 1.043 46 S CB 2.587 65.616 63.200 -0.285 0.000 1.037 46 S HN 0.073 nan 8.310 nan 0.000 0.520 47 R N -0.040 120.308 120.500 -0.253 0.000 2.885 47 R HA 0.771 5.104 4.340 -0.013 0.000 0.260 47 R C 0.980 177.191 176.300 -0.147 0.000 1.107 47 R CA 0.058 56.061 56.100 -0.161 0.000 0.978 47 R CB 0.379 30.604 30.300 -0.124 0.000 1.227 47 R HN 1.244 nan 8.270 nan 0.000 0.473 48 G N 0.578 109.323 108.800 -0.092 0.000 2.582 48 G HA2 -0.391 3.562 3.960 -0.013 0.000 0.288 48 G HA3 -0.391 3.562 3.960 -0.013 0.000 0.288 48 G C 0.789 175.651 174.900 -0.065 0.000 1.247 48 G CA 0.981 46.036 45.100 -0.074 0.000 0.972 48 G HN 0.736 nan 8.290 nan 0.000 0.557 49 S N -1.392 114.268 115.700 -0.067 0.000 2.453 49 S HA -0.001 4.462 4.470 -0.013 0.000 0.231 49 S C 2.187 176.747 174.600 -0.066 0.000 1.005 49 S CA 2.246 60.415 58.200 -0.052 0.000 0.949 49 S CB -0.421 62.752 63.200 -0.045 0.000 0.774 49 S HN 0.984 nan 8.310 nan 0.000 0.510 50 T N 2.337 116.816 114.554 -0.125 0.000 2.674 50 T HA -0.095 4.247 4.350 -0.013 0.000 0.265 50 T C 1.733 176.380 174.700 -0.088 0.000 1.039 50 T CA 1.635 63.629 62.100 -0.177 0.000 1.150 50 T CB -0.448 68.172 68.868 -0.412 0.000 0.864 50 T HN 0.727 nan 8.240 nan 0.000 0.427 51 E N 0.774 120.934 120.200 -0.066 0.000 2.077 51 E HA -0.214 4.129 4.350 -0.013 0.000 0.193 51 E C 1.688 178.395 176.600 0.177 0.000 0.989 51 E CA 1.426 57.887 56.400 0.101 0.000 0.800 51 E CB -0.079 29.627 29.700 0.011 0.000 0.746 51 E HN 0.310 nan 8.360 nan 0.000 0.452 52 D N 0.424 120.866 120.400 0.069 0.000 2.104 52 D HA -0.179 4.454 4.640 -0.013 0.000 0.194 52 D C 2.095 178.404 176.300 0.016 0.000 0.994 52 D CA 1.233 55.263 54.000 0.051 0.000 0.830 52 D CB -0.268 40.541 40.800 0.014 0.000 0.959 52 D HN 0.338 nan 8.370 nan 0.000 0.452 53 Q N -0.421 119.376 119.800 -0.004 0.000 2.046 53 Q HA -0.058 4.275 4.340 -0.013 0.000 0.200 53 Q C 2.394 178.359 176.000 -0.059 0.000 0.975 53 Q CA 0.969 56.757 55.803 -0.026 0.000 0.836 53 Q CB -0.097 28.633 28.738 -0.015 0.000 0.896 53 Q HN 0.324 nan 8.270 nan 0.000 0.428 54 M N 0.103 119.685 119.600 -0.030 0.000 2.108 54 M HA -0.191 4.281 4.480 -0.013 0.000 0.261 54 M C 2.394 178.474 176.300 -0.367 0.000 1.066 54 M CA 1.517 56.743 55.300 -0.123 0.000 1.107 54 M CB -0.421 32.196 32.600 0.028 0.000 1.356 54 M HN 0.252 nan 8.290 nan 0.000 0.406 55 A N 0.144 122.773 122.820 -0.317 0.000 1.933 55 A HA -0.179 4.133 4.320 -0.013 0.000 0.218 55 A C 2.114 179.509 177.584 -0.314 0.000 1.175 55 A CA 1.782 53.586 52.037 -0.389 0.000 0.628 55 A CB -0.419 18.556 19.000 -0.041 0.000 0.814 55 A HN 0.245 nan 8.150 nan 0.000 0.444 56 K N -0.567 119.722 120.400 -0.186 0.000 2.062 56 K HA 0.026 4.338 4.320 -0.013 0.000 0.205 56 K C 1.805 178.291 176.600 -0.189 0.000 1.051 56 K CA 1.299 57.499 56.287 -0.145 0.000 0.941 56 K CB -0.562 31.890 32.500 -0.080 0.000 0.719 56 K HN 0.252 nan 8.250 nan 0.000 0.440 57 V N 0.891 120.680 119.914 -0.208 0.000 2.453 57 V HA -0.129 3.983 4.120 -0.013 0.000 0.247 57 V C 1.935 177.869 176.094 -0.267 0.000 1.048 57 V CA 1.229 63.433 62.300 -0.160 0.000 1.049 57 V CB -0.381 31.383 31.823 -0.099 0.000 0.672 57 V HN 0.216 nan 8.190 nan 0.000 0.457 58 L N -0.127 120.709 121.223 -0.644 0.000 2.549 58 L HA -0.065 4.267 4.340 -0.013 0.000 0.229 58 L C 1.307 177.718 176.870 -0.764 0.000 1.158 58 L CA 0.596 54.795 54.840 -1.069 0.000 0.842 58 L CB -0.358 40.639 42.059 -1.771 0.000 0.952 58 L HN 0.406 nan 8.230 nan 0.000 0.452 59 Q N -2.769 116.763 119.800 -0.446 0.000 2.466 59 Q HA -0.239 4.094 4.340 -0.013 0.000 0.248 59 Q C 0.925 176.888 176.000 -0.062 0.000 0.791 59 Q CA 0.785 56.478 55.803 -0.184 0.000 1.225 59 Q CB -2.088 26.602 28.738 -0.081 0.000 1.418 59 Q HN 0.389 nan 8.270 nan 0.000 0.662 60 F N 0.539 120.393 119.950 -0.160 0.000 2.146 60 F HA -0.091 4.426 4.527 -0.018 0.000 0.298 60 F C 2.301 178.030 175.800 -0.119 0.000 1.096 60 F CA 1.540 59.445 58.000 -0.158 0.000 1.275 60 F CB -0.811 38.057 39.000 -0.221 0.000 1.008 60 F HN 0.387 nan 8.300 nan 0.000 0.480 61 N N -0.054 118.685 118.700 0.065 0.000 2.142 61 N HA -0.185 4.548 4.740 -0.013 0.000 0.186 61 N C 2.003 177.507 175.510 -0.010 0.000 1.023 61 N CA 0.788 53.849 53.050 0.018 0.000 0.852 61 N CB -0.070 38.413 38.487 -0.008 0.000 0.998 61 N HN 0.234 nan 8.380 nan 0.000 0.424 62 E N 0.422 120.603 120.200 -0.032 0.000 2.110 62 E HA -0.142 4.200 4.350 -0.013 0.000 0.193 62 E C 1.671 178.237 176.600 -0.057 0.000 0.988 62 E CA 1.227 57.596 56.400 -0.052 0.000 0.804 62 E CB 0.141 29.794 29.700 -0.079 0.000 0.745 62 E HN 0.410 nan 8.360 nan 0.000 0.458 63 V N -2.240 117.648 119.914 -0.043 0.000 3.633 63 V HA 0.336 4.449 4.120 -0.013 0.000 0.283 63 V C 0.692 176.762 176.094 -0.040 0.000 1.305 63 V CA 0.606 62.873 62.300 -0.056 0.000 1.153 63 V CB -0.492 31.292 31.823 -0.064 0.000 0.950 63 V HN 0.292 nan 8.190 nan 0.000 0.432 100 A N 1.593 124.399 122.820 -0.022 0.000 1.900 100 A HA -0.295 4.017 4.320 -0.013 0.000 0.225 100 A C 1.643 179.199 177.584 -0.047 0.000 1.414 100 A CA 2.785 54.827 52.037 0.009 0.000 0.702 100 A CB -0.699 18.329 19.000 0.046 0.000 0.845 100 A HN 1.389 nan 8.150 nan 0.000 0.478 101 D N -1.265 119.111 120.400 -0.039 0.000 2.352 101 D HA -0.003 4.629 4.640 -0.013 0.000 0.232 101 D C 1.185 177.433 176.300 -0.088 0.000 1.055 101 D CA 1.008 54.983 54.000 -0.041 0.000 0.891 101 D CB -0.131 40.660 40.800 -0.015 0.000 0.897 101 D HN 0.615 nan 8.370 nan 0.000 0.529 102 K N -0.547 119.771 120.400 -0.137 0.000 2.412 102 K HA 0.268 4.581 4.320 -0.013 0.000 0.202 102 K C 1.761 178.204 176.600 -0.262 0.000 1.102 102 K CA -0.225 55.963 56.287 -0.165 0.000 1.027 102 K CB 0.660 33.081 32.500 -0.132 0.000 0.931 102 K HN 0.089 nan 8.250 nan 0.000 0.557 103 I N 0.973 121.320 120.570 -0.373 0.000 2.127 103 I HA -0.327 3.836 4.170 -0.013 0.000 0.241 103 I C 1.909 177.794 176.117 -0.388 0.000 1.075 103 I CA 1.776 62.764 61.300 -0.521 0.000 1.334 103 I CB -0.266 37.313 38.000 -0.701 0.000 1.040 103 I HN 0.239 nan 8.210 nan 0.000 0.405 104 H N -0.320 118.662 119.070 -0.146 0.000 2.357 104 H HA -0.124 4.426 4.556 -0.009 0.000 0.301 104 H C 2.520 177.618 175.328 -0.384 0.000 1.082 104 H CA 1.568 57.466 56.048 -0.250 0.000 1.342 104 H CB -0.111 29.304 29.762 -0.577 0.000 1.389 104 H HN 0.371 nan 8.280 nan 0.000 0.511 105 S N -0.136 115.359 115.700 -0.341 0.000 2.383 105 S HA -0.153 4.309 4.470 -0.013 0.000 0.227 105 S C 2.200 176.780 174.600 -0.032 0.000 1.026 105 S CA 1.212 59.397 58.200 -0.025 0.000 0.981 105 S CB -0.340 62.888 63.200 0.046 0.000 0.818 105 S HN 0.237 nan 8.310 nan 0.000 0.472 106 S N 1.342 116.962 115.700 -0.134 0.000 2.382 106 S HA 0.053 4.515 4.470 -0.013 0.000 0.228 106 S C 1.376 175.872 174.600 -0.172 0.000 1.027 106 S CA 1.303 59.397 58.200 -0.177 0.000 0.991 106 S CB -0.615 62.403 63.200 -0.303 0.000 0.823 106 S HN 0.550 nan 8.310 nan 0.000 0.469 107 F N 1.622 121.514 119.950 -0.096 0.000 2.134 107 F HA -0.047 4.475 4.527 -0.008 0.000 0.299 107 F C 2.538 178.304 175.800 -0.057 0.000 1.097 107 F CA 1.278 59.255 58.000 -0.039 0.000 1.264 107 F CB -0.375 38.626 39.000 0.001 0.000 1.001 107 F HN 0.080 nan 8.300 nan 0.000 0.479 108 R N -0.061 120.485 120.500 0.078 0.000 2.096 108 R HA -0.132 4.201 4.340 -0.013 0.000 0.235 108 R C 2.244 178.583 176.300 0.063 0.000 1.127 108 R CA 1.704 57.837 56.100 0.054 0.000 0.968 108 R CB -0.335 30.014 30.300 0.080 0.000 0.861 108 R HN 0.161 nan 8.270 nan 0.000 0.440 109 S N 1.047 116.773 115.700 0.043 0.000 2.355 109 S HA -0.106 4.356 4.470 -0.013 0.000 0.222 109 S C 1.865 176.482 174.600 0.029 0.000 1.031 109 S CA 1.078 59.293 58.200 0.026 0.000 0.993 109 S CB -0.235 62.965 63.200 0.000 0.000 0.859 109 S HN 0.292 nan 8.310 nan 0.000 0.453 110 L N 1.197 122.435 121.223 0.025 0.000 2.081 110 L HA -0.163 4.169 4.340 -0.013 0.000 0.212 110 L C 2.692 179.616 176.870 0.089 0.000 1.080 110 L CA 1.364 56.226 54.840 0.035 0.000 0.754 110 L CB -0.371 41.710 42.059 0.037 0.000 0.893 110 L HN 0.359 nan 8.230 nan 0.000 0.433 111 S N -1.338 114.463 115.700 0.169 0.000 2.387 111 S HA -0.153 4.309 4.470 -0.013 0.000 0.226 111 S C 2.141 176.817 174.600 0.126 0.000 1.026 111 S CA 1.520 59.859 58.200 0.231 0.000 0.972 111 S CB -0.043 63.312 63.200 0.258 0.000 0.814 111 S HN 0.463 nan 8.310 nan 0.000 0.477 112 S N 1.657 117.405 115.700 0.080 0.000 2.368 112 S HA 0.008 4.470 4.470 -0.013 0.000 0.225 112 S C 2.236 176.854 174.600 0.031 0.000 1.030 112 S CA 1.178 59.410 58.200 0.053 0.000 0.999 112 S CB -0.734 62.490 63.200 0.039 0.000 0.844 112 S HN 0.728 nan 8.310 nan 0.000 0.459 113 A N 1.271 124.097 122.820 0.010 0.000 1.897 113 A HA 0.057 4.370 4.320 -0.013 0.000 0.215 113 A C 2.093 179.622 177.584 -0.091 0.000 1.181 113 A CA 0.923 52.959 52.037 -0.002 0.000 0.620 113 A CB -0.637 18.367 19.000 0.006 0.000 0.821 113 A HN 0.442 nan 8.150 nan 0.000 0.443 114 I N 0.148 120.559 120.570 -0.266 0.000 2.113 114 I HA -0.202 3.960 4.170 -0.013 0.000 0.238 114 I C 1.005 176.993 176.117 -0.214 0.000 1.070 114 I CA 0.569 61.516 61.300 -0.589 0.000 1.332 114 I CB -0.573 37.057 38.000 -0.617 0.000 1.044 114 I HN 0.324 nan 8.210 nan 0.000 0.402 123 L N 2.965 124.233 121.223 0.074 0.000 2.442 123 L HA 0.531 4.863 4.340 -0.013 0.000 0.261 123 L C -0.790 176.271 176.870 0.318 0.000 1.000 123 L CA 0.272 55.297 54.840 0.309 0.000 0.882 123 L CB 1.519 43.799 42.059 0.367 0.000 1.207 123 L HN 0.509 nan 8.230 nan 0.000 0.443 124 E N 2.315 122.732 120.200 0.361 0.000 2.171 124 E HA 0.616 4.959 4.350 -0.013 0.000 0.271 124 E C -1.028 175.783 176.600 0.351 0.000 0.916 124 E CA -0.614 55.971 56.400 0.310 0.000 0.774 124 E CB 2.015 31.865 29.700 0.250 0.000 1.128 124 E HN 0.396 nan 8.360 nan 0.000 0.403 125 S N 2.229 118.100 115.700 0.285 0.000 2.672 125 S HA 0.482 4.945 4.470 -0.013 0.000 0.291 125 S C -1.104 173.591 174.600 0.158 0.000 1.145 125 S CA -0.713 57.628 58.200 0.235 0.000 1.013 125 S CB 0.950 64.263 63.200 0.187 0.000 1.017 125 S HN 0.391 nan 8.310 nan 0.000 0.487 126 V N 3.096 123.100 119.914 0.150 0.000 2.735 126 V HA 0.942 5.054 4.120 -0.013 0.000 0.310 126 V C -0.939 175.316 176.094 0.269 0.000 1.061 126 V CA -0.981 61.422 62.300 0.171 0.000 0.913 126 V CB 1.494 33.342 31.823 0.041 0.000 1.005 126 V HN 0.967 nan 8.190 nan 0.000 0.428 127 N N 1.611 120.520 118.700 0.350 0.000 2.331 127 N HA 0.704 5.436 4.740 -0.013 0.000 0.280 127 N C -1.345 174.229 175.510 0.107 0.000 1.155 127 N CA -0.851 52.348 53.050 0.248 0.000 0.822 127 N CB 2.629 41.161 38.487 0.075 0.000 1.619 127 N HN 0.953 nan 8.380 nan 0.000 0.476 128 K N 1.251 121.590 120.400 -0.102 0.000 2.561 128 K HA 0.433 4.745 4.320 -0.013 0.000 0.254 128 K C -2.087 174.215 176.600 -0.498 0.000 0.942 128 K CA -0.821 55.114 56.287 -0.587 0.000 0.818 128 K CB 1.514 33.148 32.500 -1.442 0.000 1.306 128 K HN 0.596 nan 8.250 nan 0.000 0.435 129 L N 5.225 126.120 121.223 -0.547 0.000 2.257 129 L HA 0.503 4.835 4.340 -0.013 0.000 0.290 129 L C -1.603 175.008 176.870 -0.432 0.000 1.044 129 L CA 0.113 54.745 54.840 -0.347 0.000 0.810 129 L CB 0.158 42.049 42.059 -0.281 0.000 1.193 129 L HN 0.470 nan 8.230 nan 0.000 0.425 130 F N 3.389 123.358 119.950 0.032 0.000 2.404 130 F HA 0.761 5.280 4.527 -0.013 0.000 0.339 130 F C 0.995 176.959 175.800 0.275 0.000 1.105 130 F CA -0.269 57.791 58.000 0.100 0.000 1.087 130 F CB 1.879 40.926 39.000 0.078 0.000 1.143 130 F HN 0.565 nan 8.300 nan 0.000 0.491 131 G N 1.394 110.439 108.800 0.407 0.000 2.682 131 G HA2 0.444 4.396 3.960 -0.013 0.000 0.300 131 G HA3 0.444 4.396 3.960 -0.013 0.000 0.300 131 G C -1.675 173.230 174.900 0.008 0.000 1.391 131 G CA -0.816 44.407 45.100 0.204 0.000 0.990 131 G HN 0.511 nan 8.290 nan 0.000 0.501 132 E N 0.995 121.260 120.200 0.108 0.000 2.480 132 E HA 0.021 4.363 4.350 -0.013 0.000 0.258 132 E C 1.654 178.188 176.600 -0.109 0.000 0.984 132 E CA 0.012 56.454 56.400 0.069 0.000 0.930 132 E CB 0.816 30.625 29.700 0.182 0.000 0.936 132 E HN 0.591 nan 8.360 nan 0.000 0.466 133 K N 2.420 122.751 120.400 -0.115 0.000 2.152 133 K HA -0.198 4.115 4.320 -0.013 0.000 0.206 133 K C 1.446 177.989 176.600 -0.096 0.000 1.048 133 K CA 1.608 57.829 56.287 -0.110 0.000 0.933 133 K CB -0.278 32.175 32.500 -0.078 0.000 0.721 133 K HN 0.466 nan 8.250 nan 0.000 0.447 134 S N 0.692 116.351 115.700 -0.068 0.000 2.515 134 S HA 0.083 4.545 4.470 -0.013 0.000 0.231 134 S C 1.366 175.917 174.600 -0.081 0.000 0.987 134 S CA 0.241 58.407 58.200 -0.055 0.000 0.936 134 S CB -0.019 63.166 63.200 -0.026 0.000 0.766 134 S HN 0.384 nan 8.310 nan 0.000 0.528 135 A N 1.993 124.734 122.820 -0.132 0.000 3.175 135 A HA 0.623 4.935 4.320 -0.013 0.000 0.289 135 A C 0.382 177.787 177.584 -0.298 0.000 1.429 135 A CA -0.649 51.284 52.037 -0.173 0.000 1.155 135 A CB -0.472 18.425 19.000 -0.172 0.000 1.169 135 A HN 0.275 nan 8.150 nan 0.000 0.574 136 S N 0.991 116.567 115.700 -0.206 0.000 2.593 136 S HA 0.145 4.607 4.470 -0.013 0.000 0.300 136 S C -0.033 174.464 174.600 -0.172 0.000 1.267 136 S CA 0.371 58.464 58.200 -0.179 0.000 1.065 136 S CB -0.237 62.929 63.200 -0.057 0.000 0.807 136 S HN 0.405 nan 8.310 nan 0.000 0.499 137 F N 2.315 122.272 119.950 0.011 0.000 2.471 137 F HA 0.203 4.722 4.527 -0.013 0.000 0.353 137 F C 1.528 177.360 175.800 0.053 0.000 1.113 137 F CA -0.406 57.621 58.000 0.046 0.000 1.262 137 F CB 0.388 39.443 39.000 0.092 0.000 1.146 137 F HN 0.394 nan 8.300 nan 0.000 0.578 138 R N 2.186 122.849 120.500 0.272 0.000 2.570 138 R HA -0.031 4.301 4.340 -0.013 0.000 0.277 138 R C 1.439 177.843 176.300 0.172 0.000 1.039 138 R CA -0.062 56.143 56.100 0.175 0.000 1.065 138 R CB 0.290 30.678 30.300 0.147 0.000 0.964 138 R HN 0.783 nan 8.270 nan 0.000 0.428 139 E N 2.184 122.445 120.200 0.101 0.000 2.108 139 E HA -0.349 3.993 4.350 -0.013 0.000 0.203 139 E C 1.449 178.079 176.600 0.050 0.000 1.022 139 E CA 2.088 58.524 56.400 0.060 0.000 0.823 139 E CB 0.155 29.877 29.700 0.037 0.000 0.744 139 E HN 0.586 nan 8.360 nan 0.000 0.456 140 E N -0.673 119.569 120.200 0.069 0.000 2.150 140 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 140 E C 1.767 178.426 176.600 0.098 0.000 0.985 140 E CA 1.245 57.684 56.400 0.065 0.000 0.814 140 E CB -0.436 29.307 29.700 0.072 0.000 0.752 140 E HN 0.477 nan 8.360 nan 0.000 0.466 141 Y N 0.403 120.705 120.300 0.003 0.000 2.220 141 Y HA -0.039 4.503 4.550 -0.014 0.000 0.291 141 Y C 1.809 177.666 175.900 -0.071 0.000 1.129 141 Y CA 1.582 59.667 58.100 -0.024 0.000 1.161 141 Y CB -0.283 38.179 38.460 0.004 0.000 0.997 141 Y HN 0.055 nan 8.280 nan 0.000 0.522 142 I N 0.094 120.564 120.570 -0.167 0.000 2.208 142 I HA -0.349 3.813 4.170 -0.013 0.000 0.245 142 I C 2.784 178.765 176.117 -0.227 0.000 1.097 142 I CA 1.709 62.843 61.300 -0.277 0.000 1.363 142 I CB -0.483 37.440 38.000 -0.130 0.000 1.051 142 I HN 0.128 nan 8.210 nan 0.000 0.413 143 R N 1.045 121.467 120.500 -0.129 0.000 2.081 143 R HA -0.163 4.170 4.340 -0.013 0.000 0.235 143 R C 2.291 178.512 176.300 -0.131 0.000 1.131 143 R CA 1.504 57.539 56.100 -0.109 0.000 0.960 143 R CB -0.203 30.061 30.300 -0.061 0.000 0.856 143 R HN 0.359 nan 8.270 nan 0.000 0.436 144 L N -0.471 120.685 121.223 -0.111 0.000 2.156 144 L HA -0.169 4.163 4.340 -0.013 0.000 0.208 144 L C 2.658 179.498 176.870 -0.050 0.000 1.095 144 L CA 0.617 55.440 54.840 -0.029 0.000 0.770 144 L CB -0.289 41.813 42.059 0.071 0.000 0.914 144 L HN 0.304 nan 8.230 nan 0.000 0.439 145 C N -0.467 118.676 119.300 -0.261 0.000 2.432 145 C HA -0.188 4.265 4.460 -0.013 0.000 0.277 145 C C 2.865 177.792 174.990 -0.106 0.000 1.249 145 C CA 0.692 59.573 59.018 -0.228 0.000 1.725 145 C CB -0.660 26.766 27.740 -0.523 0.000 2.028 145 C HN 0.514 nan 8.230 nan 0.000 0.477 146 Q N 0.733 120.436 119.800 -0.162 0.000 2.002 146 Q HA -0.217 4.115 4.340 -0.013 0.000 0.204 146 Q C 2.413 178.330 176.000 -0.139 0.000 0.988 146 Q CA 1.860 57.586 55.803 -0.129 0.000 0.843 146 Q CB -0.197 28.463 28.738 -0.130 0.000 0.908 146 Q HN 0.587 nan 8.270 nan 0.000 0.420 147 K N -0.740 119.531 120.400 -0.215 0.000 2.009 147 K HA -0.196 4.116 4.320 -0.013 0.000 0.210 147 K C 1.681 178.025 176.600 -0.426 0.000 1.049 147 K CA 1.602 57.664 56.287 -0.375 0.000 0.929 147 K CB -0.052 32.095 32.500 -0.588 0.000 0.714 147 K HN 0.246 nan 8.250 nan 0.000 0.440 148 Y N -1.778 118.431 120.300 -0.152 0.000 2.476 148 Y HA -0.004 4.540 4.550 -0.010 0.000 0.283 148 Y C 1.011 176.555 175.900 -0.593 0.000 1.109 148 Y CA 0.583 58.476 58.100 -0.346 0.000 1.246 148 Y CB 0.347 38.600 38.460 -0.345 0.000 1.068 148 Y HN 0.100 nan 8.280 nan 0.000 0.552 149 Y N -1.396 118.938 120.300 0.056 0.000 2.527 149 Y HA 0.212 4.753 4.550 -0.014 0.000 0.247 149 Y C 0.923 176.805 175.900 -0.031 0.000 1.138 149 Y CA -0.489 57.613 58.100 0.003 0.000 1.228 149 Y CB 0.205 38.622 38.460 -0.071 0.000 1.252 149 Y HN -0.169 nan 8.280 nan 0.000 0.531 150 S N 0.654 116.371 115.700 0.028 0.000 3.559 150 S HA -0.206 4.257 4.470 -0.013 0.000 0.369 150 S C 0.113 174.715 174.600 0.003 0.000 0.987 150 S CA 0.978 59.179 58.200 0.001 0.000 1.187 150 S CB -1.543 61.666 63.200 0.016 0.000 0.914 150 S HN 0.358 nan 8.310 nan 0.000 0.480 151 S N 0.199 115.880 115.700 -0.031 0.000 2.571 151 S HA 0.539 5.001 4.470 -0.013 0.000 0.284 151 S C -1.013 173.470 174.600 -0.194 0.000 1.128 151 S CA -0.686 57.461 58.200 -0.090 0.000 0.970 151 S CB 1.823 64.977 63.200 -0.077 0.000 1.039 151 S HN 0.444 nan 8.310 nan 0.000 0.485 152 E N 4.471 124.534 120.200 -0.229 0.000 2.114 152 E HA 0.466 4.809 4.350 -0.013 0.000 0.266 152 E C -2.531 173.817 176.600 -0.420 0.000 0.896 152 E CA -2.492 53.732 56.400 -0.292 0.000 0.750 152 E CB 0.930 30.508 29.700 -0.203 0.000 1.121 152 E HN 0.324 nan 8.360 nan 0.000 0.413 153 P HA -0.057 nan 4.420 nan 0.000 0.266 153 P C -1.297 175.744 177.300 -0.432 0.000 1.195 153 P CA 0.213 62.911 63.100 -0.669 0.000 0.768 153 P CB 0.463 31.434 31.700 -1.216 0.000 0.838 154 Q N 1.842 121.426 119.800 -0.359 0.000 2.337 154 Q HA 0.644 4.977 4.340 -0.013 0.000 0.270 154 Q C -1.331 174.724 176.000 0.092 0.000 1.043 154 Q CA -1.028 54.676 55.803 -0.166 0.000 0.794 154 Q CB 1.585 30.137 28.738 -0.311 0.000 1.281 154 Q HN 0.489 nan 8.270 nan 0.000 0.446 155 A N 2.950 125.834 122.820 0.106 0.000 2.363 155 A HA 0.607 4.920 4.320 -0.013 0.000 0.270 155 A C -0.178 177.382 177.584 -0.039 0.000 1.121 155 A CA -0.152 51.916 52.037 0.052 0.000 0.800 155 A CB 0.393 19.397 19.000 0.006 0.000 1.052 155 A HN 0.756 nan 8.150 nan 0.000 0.493 156 V N -0.819 118.986 119.914 -0.181 0.000 3.158 156 V HA 0.704 4.816 4.120 -0.013 0.000 0.311 156 V C -0.864 175.013 176.094 -0.363 0.000 1.181 156 V CA -0.904 61.198 62.300 -0.329 0.000 1.054 156 V CB 2.103 33.575 31.823 -0.584 0.000 1.085 156 V HN 0.688 nan 8.190 nan 0.000 0.446 157 D N 0.078 120.294 120.400 -0.306 0.000 2.479 157 D HA 0.427 5.059 4.640 -0.013 0.000 0.247 157 D C 0.173 176.404 176.300 -0.116 0.000 1.119 157 D CA -0.421 53.479 54.000 -0.166 0.000 0.922 157 D CB 0.503 41.253 40.800 -0.083 0.000 1.014 157 D HN 0.421 nan 8.370 nan 0.000 0.510 158 F N 1.611 121.548 119.950 -0.021 0.000 2.187 158 F HA -0.025 4.494 4.527 -0.013 0.000 0.295 158 F C 2.016 177.810 175.800 -0.011 0.000 1.091 158 F CA 0.124 58.112 58.000 -0.020 0.000 1.308 158 F CB -0.378 38.604 39.000 -0.030 0.000 1.030 158 F HN 0.327 nan 8.300 nan 0.000 0.487 159 L N 0.080 121.408 121.223 0.176 0.000 2.042 159 L HA -0.174 4.159 4.340 -0.013 0.000 0.210 159 L C 2.097 179.010 176.870 0.071 0.000 1.076 159 L CA 1.988 56.890 54.840 0.103 0.000 0.749 159 L CB -0.571 41.530 42.059 0.069 0.000 0.893 159 L HN 0.067 nan 8.230 nan 0.000 0.432 160 E N -2.415 117.816 120.200 0.051 0.000 2.330 160 E HA 0.152 4.494 4.350 -0.013 0.000 0.200 160 E C 0.627 177.246 176.600 0.032 0.000 0.922 160 E CA 0.610 57.030 56.400 0.033 0.000 0.935 160 E CB 0.164 29.874 29.700 0.016 0.000 0.917 160 E HN 0.396 nan 8.360 nan 0.000 0.491 161 C N 1.590 120.907 119.300 0.029 0.000 3.290 161 C HA 0.620 5.072 4.460 -0.013 0.000 0.206 161 C C 1.544 176.556 174.990 0.037 0.000 1.639 161 C CA -0.625 58.405 59.018 0.020 0.000 1.408 161 C CB -0.362 27.374 27.740 -0.006 0.000 2.197 161 C HN 0.351 nan 8.230 nan 0.000 0.508 162 A N 1.026 123.900 122.820 0.091 0.000 1.940 162 A HA -0.212 4.101 4.320 -0.013 0.000 0.219 162 A C 2.161 179.809 177.584 0.107 0.000 1.176 162 A CA 2.372 54.511 52.037 0.170 0.000 0.631 162 A CB -0.262 18.851 19.000 0.187 0.000 0.814 162 A HN 0.650 nan 8.150 nan 0.000 0.446 163 E N 0.339 120.573 120.200 0.057 0.000 2.077 163 E HA -0.186 4.156 4.350 -0.013 0.000 0.193 163 E C 1.843 178.447 176.600 0.007 0.000 0.989 163 E CA 1.854 58.273 56.400 0.031 0.000 0.800 163 E CB -0.365 29.348 29.700 0.021 0.000 0.746 163 E HN 0.698 nan 8.360 nan 0.000 0.452 164 E N -0.404 119.795 120.200 -0.002 0.000 2.118 164 E HA -0.196 4.146 4.350 -0.013 0.000 0.195 164 E C 1.960 178.528 176.600 -0.053 0.000 0.992 164 E CA 1.022 57.408 56.400 -0.024 0.000 0.804 164 E CB -0.214 29.471 29.700 -0.027 0.000 0.741 164 E HN 0.402 nan 8.360 nan 0.000 0.458 165 A N 1.295 124.074 122.820 -0.067 0.000 1.902 165 A HA -0.211 4.102 4.320 -0.013 0.000 0.217 165 A C 2.071 179.574 177.584 -0.135 0.000 1.181 165 A CA 1.496 53.437 52.037 -0.160 0.000 0.623 165 A CB -0.458 18.406 19.000 -0.227 0.000 0.818 165 A HN 0.100 nan 8.150 nan 0.000 0.443 166 R N -0.032 120.453 120.500 -0.025 0.000 2.096 166 R HA -0.166 4.167 4.340 -0.013 0.000 0.240 166 R C 1.982 178.225 176.300 -0.095 0.000 1.139 166 R CA 1.928 57.997 56.100 -0.052 0.000 0.952 166 R CB -0.223 30.068 30.300 -0.015 0.000 0.854 166 R HN 0.455 nan 8.270 nan 0.000 0.436 167 K N 0.166 120.529 120.400 -0.062 0.000 2.217 167 K HA -0.094 4.218 4.320 -0.013 0.000 0.202 167 K C 2.017 178.583 176.600 -0.058 0.000 1.051 167 K CA 1.051 57.307 56.287 -0.052 0.000 0.952 167 K CB 0.055 32.538 32.500 -0.029 0.000 0.736 167 K HN 0.252 nan 8.250 nan 0.000 0.453 168 K N 0.743 121.093 120.400 -0.082 0.000 2.155 168 K HA -0.005 4.307 4.320 -0.013 0.000 0.203 168 K C 2.106 178.651 176.600 -0.092 0.000 1.052 168 K CA 0.789 57.041 56.287 -0.059 0.000 0.948 168 K CB -0.040 32.416 32.500 -0.074 0.000 0.728 168 K HN 0.088 nan 8.250 nan 0.000 0.448 169 I N 1.861 122.254 120.570 -0.295 0.000 2.179 169 I HA -0.290 3.872 4.170 -0.013 0.000 0.242 169 I C 1.617 177.693 176.117 -0.069 0.000 1.088 169 I CA 1.062 62.095 61.300 -0.445 0.000 1.357 169 I CB -0.361 37.193 38.000 -0.743 0.000 1.051 169 I HN 0.165 nan 8.210 nan 0.000 0.409 170 N N 0.528 119.182 118.700 -0.077 0.000 2.309 170 N HA -0.108 4.624 4.740 -0.013 0.000 0.182 170 N C 1.952 177.482 175.510 0.033 0.000 1.018 170 N CA 1.210 54.249 53.050 -0.018 0.000 0.876 170 N CB -0.310 38.151 38.487 -0.043 0.000 0.972 170 N HN 0.240 nan 8.380 nan 0.000 0.434 171 S N -0.100 115.631 115.700 0.050 0.000 2.387 171 S HA -0.091 4.371 4.470 -0.013 0.000 0.226 171 S C 1.565 176.235 174.600 0.116 0.000 1.026 171 S CA 0.356 58.593 58.200 0.062 0.000 0.972 171 S CB -0.239 62.996 63.200 0.059 0.000 0.814 171 S HN 0.565 nan 8.310 nan 0.000 0.477 172 W N 2.381 123.694 121.300 0.022 0.000 2.358 172 W HA -0.138 4.514 4.660 -0.013 0.000 0.303 172 W C 1.872 178.429 176.519 0.062 0.000 1.208 172 W CA 1.001 58.390 57.345 0.073 0.000 1.274 172 W CB -0.480 29.086 29.460 0.176 0.000 1.138 172 W HN -0.022 nan 8.180 nan 0.000 0.515 173 V N 1.367 121.396 119.914 0.192 0.000 2.237 173 V HA -0.345 3.768 4.120 -0.013 0.000 0.245 173 V C 2.494 178.503 176.094 -0.142 0.000 1.046 173 V CA 2.470 64.765 62.300 -0.007 0.000 1.007 173 V CB -1.175 30.728 31.823 0.133 0.000 0.638 173 V HN 0.178 nan 8.190 nan 0.000 0.445 174 K N -0.504 119.856 120.400 -0.066 0.000 2.059 174 K HA -0.248 4.064 4.320 -0.013 0.000 0.212 174 K C 2.158 178.682 176.600 -0.127 0.000 1.050 174 K CA 2.296 58.536 56.287 -0.079 0.000 0.927 174 K CB -0.384 32.092 32.500 -0.041 0.000 0.714 174 K HN 0.547 nan 8.250 nan 0.000 0.447 175 T N 1.402 115.865 114.554 -0.151 0.000 2.588 175 T HA -0.146 4.197 4.350 -0.013 0.000 0.261 175 T C 1.688 176.229 174.700 -0.265 0.000 1.069 175 T CA 1.323 63.315 62.100 -0.179 0.000 1.172 175 T CB -0.291 68.487 68.868 -0.150 0.000 0.863 175 T HN 0.309 nan 8.240 nan 0.000 0.408 176 Q N 1.097 120.616 119.800 -0.469 0.000 2.376 176 Q HA -0.090 4.242 4.340 -0.013 0.000 0.211 176 Q C 2.094 177.923 176.000 -0.286 0.000 0.986 176 Q CA 1.512 57.029 55.803 -0.477 0.000 0.886 176 Q CB -0.827 27.383 28.738 -0.881 0.000 0.927 176 Q HN 0.765 nan 8.270 nan 0.000 0.457 177 T N -3.679 110.740 114.554 -0.225 0.000 3.129 177 T HA 0.254 4.596 4.350 -0.013 0.000 0.267 177 T C 0.026 174.642 174.700 -0.140 0.000 1.018 177 T CA -0.515 61.493 62.100 -0.152 0.000 0.903 177 T CB 0.098 68.893 68.868 -0.122 0.000 1.067 177 T HN 0.132 nan 8.240 nan 0.000 0.549 178 K N 1.464 121.783 120.400 -0.136 0.000 3.730 178 K HA -0.175 4.137 4.320 -0.013 0.000 0.276 178 K C 1.281 177.820 176.600 -0.102 0.000 0.904 178 K CA 0.424 56.644 56.287 -0.111 0.000 0.741 178 K CB -1.900 30.536 32.500 -0.107 0.000 1.542 178 K HN 0.829 nan 8.250 nan 0.000 0.446 179 G N 0.079 108.825 108.800 -0.090 0.000 2.257 179 G HA2 -0.424 3.528 3.960 -0.013 0.000 0.267 179 G HA3 -0.424 3.528 3.960 -0.013 0.000 0.267 179 G C 0.999 175.859 174.900 -0.068 0.000 0.984 179 G CA 0.842 45.900 45.100 -0.070 0.000 0.626 179 G HN 0.473 nan 8.290 nan 0.000 0.540 180 K N -0.212 120.133 120.400 -0.091 0.000 2.097 180 K HA 0.018 4.330 4.320 -0.013 0.000 0.206 180 K C 0.941 177.515 176.600 -0.043 0.000 1.049 180 K CA 1.259 57.497 56.287 -0.081 0.000 0.933 180 K CB 0.081 32.502 32.500 -0.130 0.000 0.717 180 K HN 0.498 nan 8.250 nan 0.000 0.442 181 I N 2.480 123.021 120.570 -0.049 0.000 2.555 181 I HA 0.129 4.291 4.170 -0.013 0.000 0.275 181 I C -2.040 174.066 176.117 -0.019 0.000 1.082 181 I CA -2.541 58.743 61.300 -0.027 0.000 1.167 181 I CB 0.631 38.599 38.000 -0.053 0.000 1.312 181 I HN -0.170 nan 8.210 nan 0.000 0.493 182 P HA -0.073 nan 4.420 nan 0.000 0.219 182 P C 0.147 177.447 177.300 -0.000 0.000 1.150 182 P CA 1.172 64.268 63.100 -0.006 0.000 0.814 182 P CB 0.436 32.136 31.700 -0.001 0.000 0.787 183 N N -0.904 117.804 118.700 0.014 0.000 2.672 183 N HA 0.146 4.878 4.740 -0.013 0.000 0.295 183 N C 0.688 176.208 175.510 0.016 0.000 1.924 183 N CA -0.262 52.792 53.050 0.006 0.000 0.851 183 N CB 0.282 38.775 38.487 0.011 0.000 1.281 183 N HN -0.165 nan 8.380 nan 0.000 0.494 184 L N 0.340 121.560 121.223 -0.005 0.000 1.997 184 L HA -0.074 4.258 4.340 -0.013 0.000 0.216 184 L C -0.038 176.773 176.870 -0.097 0.000 1.074 184 L CA 1.914 56.744 54.840 -0.016 0.000 0.763 184 L CB -0.091 41.947 42.059 -0.036 0.000 0.890 184 L HN 0.303 nan 8.230 nan 0.000 0.434 185 L N 0.126 121.204 121.223 -0.241 0.000 2.325 185 L HA 0.463 4.795 4.340 -0.013 0.000 0.279 185 L C -2.319 174.467 176.870 -0.140 0.000 1.054 185 L CA -1.957 52.655 54.840 -0.380 0.000 0.804 185 L CB 0.563 42.255 42.059 -0.611 0.000 1.200 185 L HN 0.020 nan 8.230 nan 0.000 0.436 186 P HA 0.174 nan 4.420 nan 0.000 0.289 186 P C 0.302 177.607 177.300 0.009 0.000 1.302 186 P CA -0.614 62.485 63.100 -0.002 0.000 0.923 186 P CB 1.754 33.476 31.700 0.036 0.000 1.238 187 E N 1.687 121.894 120.200 0.011 0.000 2.535 187 E HA -0.289 4.053 4.350 -0.013 0.000 0.249 187 E C 0.768 177.383 176.600 0.024 0.000 1.106 187 E CA 2.820 59.229 56.400 0.015 0.000 1.212 187 E CB -1.059 28.652 29.700 0.017 0.000 1.058 187 E HN 0.761 nan 8.360 nan 0.000 0.469 188 G N -0.563 108.260 108.800 0.037 0.000 4.299 188 G HA2 0.158 4.111 3.960 -0.013 0.000 0.290 188 G HA3 0.158 4.111 3.960 -0.013 0.000 0.290 188 G C 0.921 175.859 174.900 0.063 0.000 1.019 188 G CA 0.572 45.698 45.100 0.043 0.000 0.790 188 G HN 0.298 nan 8.290 nan 0.000 0.452 189 S N -0.740 115.011 115.700 0.085 0.000 2.507 189 S HA 0.186 4.648 4.470 -0.013 0.000 0.235 189 S C 0.636 175.318 174.600 0.137 0.000 0.988 189 S CA 0.237 58.533 58.200 0.159 0.000 0.944 189 S CB 0.340 63.705 63.200 0.274 0.000 0.762 189 S HN 0.095 nan 8.310 nan 0.000 0.526 190 V N 2.085 122.040 119.914 0.068 0.000 2.925 190 V HA 0.605 4.717 4.120 -0.013 0.000 0.311 190 V C -1.282 174.823 176.094 0.019 0.000 1.104 190 V CA -0.518 61.785 62.300 0.005 0.000 0.954 190 V CB 2.503 34.350 31.823 0.040 0.000 1.022 190 V HN 0.628 nan 8.190 nan 0.000 0.427 191 D N 1.852 122.247 120.400 -0.008 0.000 3.057 191 D HA 0.359 4.992 4.640 -0.013 0.000 0.328 191 D C 1.095 177.417 176.300 0.035 0.000 1.317 191 D CA 0.222 54.241 54.000 0.032 0.000 0.973 191 D CB 0.825 41.642 40.800 0.030 0.000 1.424 191 D HN 0.577 nan 8.370 nan 0.000 0.569 192 G N -0.996 107.836 108.800 0.052 0.000 2.470 192 G HA2 -0.180 3.773 3.960 -0.013 0.000 0.220 192 G HA3 -0.180 3.773 3.960 -0.013 0.000 0.220 192 G C 0.621 175.552 174.900 0.052 0.000 1.121 192 G CA 0.810 45.948 45.100 0.063 0.000 0.766 192 G HN 0.487 nan 8.290 nan 0.000 0.553 193 D N 0.128 120.550 120.400 0.038 0.000 2.333 193 D HA 0.010 4.642 4.640 -0.013 0.000 0.208 193 D C 0.960 177.260 176.300 0.001 0.000 0.984 193 D CA 0.357 54.397 54.000 0.067 0.000 0.873 193 D CB -0.007 40.851 40.800 0.096 0.000 0.935 193 D HN 0.106 nan 8.370 nan 0.000 0.521 194 T N 1.225 115.685 114.554 -0.157 0.000 2.940 194 T HA 0.067 4.410 4.350 -0.013 0.000 0.309 194 T C 1.416 175.794 174.700 -0.537 0.000 1.056 194 T CA 0.130 61.948 62.100 -0.471 0.000 1.137 194 T CB 1.649 69.985 68.868 -0.888 0.000 0.976 194 T HN -0.045 nan 8.240 nan 0.000 0.547 195 R N 1.243 121.356 120.500 -0.645 0.000 2.276 195 R HA 0.375 4.707 4.340 -0.013 0.000 0.195 195 R C 0.241 176.395 176.300 -0.244 0.000 0.908 195 R CA 0.283 56.132 56.100 -0.419 0.000 1.083 195 R CB 0.320 30.262 30.300 -0.596 0.000 1.182 195 R HN 0.650 nan 8.270 nan 0.000 0.608 196 M N 0.945 120.315 119.600 -0.384 0.000 2.333 196 M HA 0.279 4.751 4.480 -0.013 0.000 0.286 196 M C -1.852 174.401 176.300 -0.080 0.000 1.113 196 M CA -0.656 54.583 55.300 -0.101 0.000 0.959 196 M CB 2.236 34.691 32.600 -0.241 0.000 1.776 196 M HN -0.133 nan 8.290 nan 0.000 0.492 197 V N 2.275 122.283 119.914 0.157 0.000 2.876 197 V HA 0.860 4.972 4.120 -0.013 0.000 0.312 197 V C -1.942 174.315 176.094 0.272 0.000 1.085 197 V CA -0.876 61.548 62.300 0.208 0.000 0.945 197 V CB 1.959 34.006 31.823 0.373 0.000 1.017 197 V HN 0.893 nan 8.190 nan 0.000 0.428 198 L N 4.976 126.334 121.223 0.225 0.000 2.322 198 L HA 0.893 5.225 4.340 -0.013 0.000 0.281 198 L C -0.293 176.776 176.870 0.332 0.000 1.014 198 L CA -0.307 54.649 54.840 0.193 0.000 0.815 198 L CB 1.796 43.900 42.059 0.075 0.000 1.247 198 L HN 1.034 nan 8.230 nan 0.000 0.421 199 V N 2.217 122.333 119.914 0.337 0.000 2.628 199 V HA 0.796 4.908 4.120 -0.013 0.000 0.306 199 V C -0.983 175.300 176.094 0.314 0.000 1.045 199 V CA -0.484 62.056 62.300 0.400 0.000 0.905 199 V CB 1.782 33.871 31.823 0.444 0.000 0.997 199 V HN 0.950 nan 8.190 nan 0.000 0.436 200 N N 2.413 121.306 118.700 0.321 0.000 2.542 200 N HA 0.762 5.494 4.740 -0.013 0.000 0.288 200 N C -1.091 174.549 175.510 0.218 0.000 1.115 200 N CA 0.440 53.656 53.050 0.276 0.000 0.924 200 N CB 2.071 40.737 38.487 0.299 0.000 1.526 200 N HN 1.359 nan 8.380 nan 0.000 0.515 201 A N 2.150 125.070 122.820 0.168 0.000 2.374 201 A HA 0.821 5.134 4.320 -0.013 0.000 0.305 201 A C -1.278 176.399 177.584 0.156 0.000 1.053 201 A CA -0.485 51.607 52.037 0.092 0.000 0.726 201 A CB 1.295 20.340 19.000 0.074 0.000 1.229 201 A HN 0.391 nan 8.150 nan 0.000 0.431 202 V N 1.772 121.811 119.914 0.208 0.000 2.841 202 V HA 0.585 4.698 4.120 -0.013 0.000 0.310 202 V C -1.302 175.091 176.094 0.499 0.000 1.090 202 V CA -0.553 61.978 62.300 0.386 0.000 0.930 202 V CB 1.909 34.032 31.823 0.500 0.000 1.014 202 V HN 0.930 nan 8.190 nan 0.000 0.425 203 Y N 4.064 124.579 120.300 0.360 0.000 2.457 203 Y HA 0.785 5.327 4.550 -0.013 0.000 0.343 203 Y C -1.838 174.235 175.900 0.287 0.000 0.994 203 Y CA -1.188 57.069 58.100 0.262 0.000 1.031 203 Y CB 2.067 40.604 38.460 0.129 0.000 1.246 203 Y HN 0.610 nan 8.280 nan 0.000 0.449 204 F N 6.351 125.846 119.950 -0.759 0.000 2.578 204 F HA 0.635 5.155 4.527 -0.012 0.000 0.311 204 F C -1.622 173.563 175.800 -1.025 0.000 1.094 204 F CA -0.731 56.846 58.000 -0.705 0.000 0.923 204 F CB 1.608 40.182 39.000 -0.710 0.000 1.230 204 F HN 0.496 nan 8.300 nan 0.000 0.450 205 K N 4.333 123.878 120.400 -1.425 0.000 2.695 205 K HA 0.501 4.813 4.320 -0.013 0.000 0.255 205 K C -0.996 174.838 176.600 -1.277 0.000 1.016 205 K CA -0.438 55.210 56.287 -1.064 0.000 0.928 205 K CB 1.262 33.429 32.500 -0.555 0.000 1.235 205 K HN 0.918 nan 8.250 nan 0.000 0.467 206 G N 2.332 110.310 108.800 -1.371 0.000 2.552 206 G HA2 0.387 4.339 3.960 -0.013 0.000 0.318 206 G HA3 0.387 4.339 3.960 -0.013 0.000 0.318 206 G C -1.084 173.525 174.900 -0.485 0.000 1.240 206 G CA -0.574 43.853 45.100 -1.121 0.000 1.002 206 G HN 0.430 nan 8.290 nan 0.000 0.493 207 K N 0.247 120.521 120.400 -0.211 0.000 2.367 207 K HA 0.186 4.499 4.320 -0.013 0.000 0.263 207 K C -0.825 175.867 176.600 0.154 0.000 1.000 207 K CA -0.448 55.814 56.287 -0.041 0.000 0.891 207 K CB 1.085 33.571 32.500 -0.023 0.000 1.117 207 K HN 0.521 nan 8.250 nan 0.000 0.443 208 W N 2.717 124.128 121.300 0.184 0.000 2.209 208 W HA -0.041 4.611 4.660 -0.014 0.000 0.344 208 W C 1.612 178.121 176.519 -0.015 0.000 1.285 208 W CA -0.107 57.258 57.345 0.033 0.000 1.267 208 W CB 0.488 29.939 29.460 -0.014 0.000 1.167 208 W HN 0.594 nan 8.180 nan 0.000 0.574 209 K N 0.248 120.781 120.400 0.222 0.000 2.148 209 K HA -0.058 4.254 4.320 -0.013 0.000 0.204 209 K C 0.174 176.775 176.600 0.003 0.000 1.050 209 K CA 1.112 57.445 56.287 0.076 0.000 0.942 209 K CB 0.048 32.564 32.500 0.026 0.000 0.724 209 K HN 0.336 nan 8.250 nan 0.000 0.446 210 T N 2.702 117.217 114.554 -0.065 0.000 2.840 210 T HA 0.337 4.679 4.350 -0.013 0.000 0.287 210 T C -2.721 171.865 174.700 -0.191 0.000 0.991 210 T CA -1.699 60.304 62.100 -0.161 0.000 0.964 210 T CB 1.889 70.587 68.868 -0.282 0.000 0.954 210 T HN -0.085 nan 8.240 nan 0.000 0.438 211 P HA 0.137 nan 4.420 nan 0.000 0.265 211 P C -0.517 176.683 177.300 -0.167 0.000 1.187 211 P CA -0.068 63.026 63.100 -0.010 0.000 0.766 211 P CB 0.283 31.988 31.700 0.009 0.000 0.820 212 F N 0.729 120.601 119.950 -0.129 0.000 2.368 212 F HA 0.241 4.760 4.527 -0.013 0.000 0.308 212 F C 1.439 177.185 175.800 -0.091 0.000 1.198 212 F CA 0.058 57.940 58.000 -0.197 0.000 1.130 212 F CB 0.506 39.372 39.000 -0.222 0.000 1.300 212 F HN 0.237 nan 8.300 nan 0.000 0.537 213 E N 0.853 121.140 120.200 0.146 0.000 2.175 213 E HA 0.151 4.493 4.350 -0.013 0.000 0.278 213 E C -0.739 175.954 176.600 0.155 0.000 0.969 213 E CA -0.785 55.697 56.400 0.138 0.000 0.796 213 E CB 1.156 30.951 29.700 0.159 0.000 1.104 213 E HN 0.288 nan 8.360 nan 0.000 0.395 214 K N 3.740 124.210 120.400 0.116 0.000 2.338 214 K HA 0.062 4.375 4.320 -0.013 0.000 0.290 214 K C 0.097 176.767 176.600 0.116 0.000 1.069 214 K CA -0.324 56.023 56.287 0.100 0.000 0.941 214 K CB 0.455 33.001 32.500 0.076 0.000 1.023 214 K HN 0.178 nan 8.250 nan 0.000 0.477 220 Y N 2.750 123.109 120.300 0.097 0.000 2.335 220 Y HA 0.448 4.991 4.550 -0.012 0.000 0.323 220 Y C -1.929 174.046 175.900 0.124 0.000 1.224 220 Y CA -2.533 55.624 58.100 0.095 0.000 1.241 220 Y CB 0.678 39.199 38.460 0.101 0.000 1.235 220 Y HN 0.264 nan 8.280 nan 0.000 0.492 221 P HA 0.056 nan 4.420 nan 0.000 0.276 221 P C -0.922 176.530 177.300 0.252 0.000 1.264 221 P CA 0.108 63.330 63.100 0.202 0.000 0.769 221 P CB 0.022 31.789 31.700 0.112 0.000 0.840 222 F N 4.130 124.157 119.950 0.130 0.000 2.415 222 F HA 0.403 4.922 4.527 -0.013 0.000 0.348 222 F C 0.766 176.624 175.800 0.096 0.000 1.119 222 F CA -1.197 56.882 58.000 0.133 0.000 1.069 222 F CB 1.190 40.283 39.000 0.156 0.000 1.124 222 F HN 0.146 nan 8.300 nan 0.000 0.472 223 R N 5.527 125.902 120.500 -0.209 0.000 2.242 223 R HA 0.297 4.629 4.340 -0.013 0.000 0.334 223 R C -0.020 176.281 176.300 0.002 0.000 1.071 223 R CA -0.167 55.886 56.100 -0.077 0.000 0.922 223 R CB 0.689 30.917 30.300 -0.119 0.000 1.023 223 R HN 0.795 nan 8.270 nan 0.000 0.458 224 V N 3.980 123.981 119.914 0.146 0.000 2.407 224 V HA -0.088 4.024 4.120 -0.013 0.000 0.245 224 V C 0.389 176.523 176.094 0.066 0.000 1.041 224 V CA 1.646 64.036 62.300 0.150 0.000 1.040 224 V CB -0.804 31.088 31.823 0.114 0.000 0.671 224 V HN 0.964 nan 8.190 nan 0.000 0.455 225 N N -2.594 116.128 118.700 0.036 0.000 3.308 225 N HA 0.053 4.786 4.740 -0.013 0.000 0.276 225 N C 0.515 176.026 175.510 0.001 0.000 1.533 225 N CA 0.078 53.137 53.050 0.016 0.000 0.878 225 N CB 0.700 39.198 38.487 0.018 0.000 1.566 225 N HN -0.108 nan 8.380 nan 0.000 0.546 226 S N -2.245 113.452 115.700 -0.005 0.000 2.507 226 S HA 0.088 4.550 4.470 -0.013 0.000 0.235 226 S C 1.154 175.750 174.600 -0.007 0.000 0.988 226 S CA 0.728 58.920 58.200 -0.013 0.000 0.944 226 S CB -0.612 62.580 63.200 -0.014 0.000 0.762 226 S HN 0.872 nan 8.310 nan 0.000 0.526 227 A N -0.085 122.736 122.820 0.001 0.000 2.469 227 A HA 0.437 4.749 4.320 -0.013 0.000 0.245 227 A C 0.424 178.015 177.584 0.011 0.000 1.221 227 A CA -0.449 51.591 52.037 0.004 0.000 0.946 227 A CB 0.363 19.366 19.000 0.005 0.000 1.049 227 A HN 0.541 nan 8.150 nan 0.000 0.529 228 Q N 0.012 119.823 119.800 0.019 0.000 2.289 228 Q HA 0.551 4.884 4.340 -0.013 0.000 0.270 228 Q C -1.322 174.709 176.000 0.051 0.000 1.038 228 Q CA -0.532 55.290 55.803 0.032 0.000 0.812 228 Q CB 2.525 31.283 28.738 0.033 0.000 1.300 228 Q HN 0.375 nan 8.270 nan 0.000 0.427 229 R N 0.835 121.372 120.500 0.062 0.000 2.744 229 R HA 0.707 5.039 4.340 -0.013 0.000 0.279 229 R C -1.066 175.301 176.300 0.113 0.000 0.977 229 R CA -0.723 55.435 56.100 0.097 0.000 0.906 229 R CB 2.460 32.806 30.300 0.076 0.000 1.197 229 R HN 0.469 nan 8.270 nan 0.000 0.463 230 T N 2.812 117.466 114.554 0.167 0.000 2.881 230 T HA 0.359 4.701 4.350 -0.013 0.000 0.290 230 T C -2.724 172.083 174.700 0.179 0.000 1.000 230 T CA -1.648 60.535 62.100 0.139 0.000 0.978 230 T CB 2.253 71.184 68.868 0.104 0.000 0.997 230 T HN 0.242 nan 8.240 nan 0.000 0.443 231 P HA 0.334 nan 4.420 nan 0.000 0.271 231 P C -0.757 176.640 177.300 0.162 0.000 1.220 231 P CA -0.434 62.758 63.100 0.153 0.000 0.768 231 P CB 0.525 32.289 31.700 0.106 0.000 0.848 232 V N 0.545 120.586 119.914 0.212 0.000 2.962 232 V HA 0.602 4.714 4.120 -0.013 0.000 0.313 232 V C -0.524 175.688 176.094 0.197 0.000 1.099 232 V CA -1.370 61.039 62.300 0.181 0.000 0.971 232 V CB 2.017 33.951 31.823 0.184 0.000 1.028 232 V HN 0.244 nan 8.190 nan 0.000 0.430 233 Q N 3.230 123.116 119.800 0.144 0.000 2.293 233 Q HA 0.445 4.777 4.340 -0.013 0.000 0.263 233 Q C -0.564 175.503 176.000 0.111 0.000 1.002 233 Q CA 0.142 56.029 55.803 0.140 0.000 0.910 233 Q CB 0.888 29.680 28.738 0.090 0.000 1.185 233 Q HN 0.783 nan 8.270 nan 0.000 0.401 234 M N 4.099 123.770 119.600 0.118 0.000 2.409 234 M HA 0.455 4.927 4.480 -0.013 0.000 0.329 234 M C -0.510 175.799 176.300 0.014 0.000 1.180 234 M CA -0.220 55.075 55.300 -0.008 0.000 1.053 234 M CB 1.488 33.911 32.600 -0.295 0.000 1.586 234 M HN 0.734 nan 8.290 nan 0.000 0.461 235 M N 1.907 121.469 119.600 -0.064 0.000 2.465 235 M HA 0.448 4.920 4.480 -0.013 0.000 0.316 235 M C -1.276 175.053 176.300 0.048 0.000 1.121 235 M CA -0.775 54.491 55.300 -0.057 0.000 0.934 235 M CB 2.358 34.767 32.600 -0.317 0.000 1.692 235 M HN 0.543 nan 8.290 nan 0.000 0.444 236 Y N 2.515 122.828 120.300 0.023 0.000 2.499 236 Y HA 0.848 5.390 4.550 -0.012 0.000 0.347 236 Y C -2.135 173.718 175.900 -0.077 0.000 0.987 236 Y CA -1.330 56.661 58.100 -0.180 0.000 1.044 236 Y CB 1.722 39.962 38.460 -0.367 0.000 1.245 236 Y HN 0.732 nan 8.280 nan 0.000 0.461 237 L N 5.561 126.088 121.223 -1.160 0.000 2.549 237 L HA 0.577 4.909 4.340 -0.013 0.000 0.259 237 L C -1.955 174.266 176.870 -1.083 0.000 0.934 237 L CA -0.558 53.638 54.840 -1.073 0.000 0.865 237 L CB 2.069 43.406 42.059 -1.203 0.000 1.352 237 L HN 0.795 nan 8.230 nan 0.000 0.410 238 R N 3.461 123.488 120.500 -0.788 0.000 2.393 238 R HA 0.729 5.061 4.340 -0.013 0.000 0.315 238 R C -1.364 174.730 176.300 -0.345 0.000 0.952 238 R CA -0.311 55.511 56.100 -0.463 0.000 0.842 238 R CB 1.367 31.525 30.300 -0.237 0.000 1.163 238 R HN 0.797 nan 8.270 nan 0.000 0.450 239 E N 3.002 123.023 120.200 -0.297 0.000 2.401 239 E HA 0.207 4.549 4.350 -0.013 0.000 0.280 239 E C -1.755 174.724 176.600 -0.202 0.000 1.039 239 E CA -0.722 55.523 56.400 -0.259 0.000 0.814 239 E CB 1.238 30.732 29.700 -0.343 0.000 1.275 239 E HN 0.370 nan 8.360 nan 0.000 0.448 240 K N 1.992 122.295 120.400 -0.161 0.000 2.339 240 K HA 0.514 4.826 4.320 -0.013 0.000 0.286 240 K C -0.513 175.996 176.600 -0.152 0.000 1.050 240 K CA -0.116 56.094 56.287 -0.129 0.000 0.956 240 K CB 0.425 32.868 32.500 -0.095 0.000 0.990 240 K HN 0.372 nan 8.250 nan 0.000 0.475 241 L N 2.342 123.475 121.223 -0.148 0.000 2.465 241 L HA 0.280 4.613 4.340 -0.013 0.000 0.257 241 L C -0.688 176.100 176.870 -0.137 0.000 0.988 241 L CA -1.038 53.695 54.840 -0.178 0.000 0.827 241 L CB 2.467 44.376 42.059 -0.249 0.000 1.397 241 L HN 0.619 nan 8.230 nan 0.000 0.410 242 N N 1.831 120.450 118.700 -0.134 0.000 2.497 242 N HA 0.605 5.338 4.740 -0.013 0.000 0.271 242 N C -1.026 174.434 175.510 -0.084 0.000 1.142 242 N CA -0.140 52.864 53.050 -0.077 0.000 0.965 242 N CB 1.599 40.059 38.487 -0.044 0.000 1.077 242 N HN 0.375 nan 8.380 nan 0.000 0.462 243 I N 0.260 120.809 120.570 -0.034 0.000 2.913 243 I HA 0.697 4.859 4.170 -0.013 0.000 0.302 243 I C -0.795 175.350 176.117 0.045 0.000 1.246 243 I CA -0.487 60.797 61.300 -0.027 0.000 1.010 243 I CB 1.861 39.838 38.000 -0.038 0.000 1.259 243 I HN 0.579 nan 8.210 nan 0.000 0.434 244 G N 3.759 112.608 108.800 0.081 0.000 2.694 244 G HA2 0.554 4.506 3.960 -0.013 0.000 0.290 244 G HA3 0.554 4.506 3.960 -0.013 0.000 0.290 244 G C -2.580 172.413 174.900 0.155 0.000 1.386 244 G CA -0.470 44.698 45.100 0.114 0.000 0.872 244 G HN 0.547 nan 8.290 nan 0.000 0.475 245 Y N 0.183 120.487 120.300 0.007 0.000 2.373 245 Y HA 0.618 5.160 4.550 -0.013 0.000 0.336 245 Y C -0.492 175.373 175.900 -0.059 0.000 0.979 245 Y CA -0.987 57.102 58.100 -0.018 0.000 1.080 245 Y CB 1.725 40.185 38.460 0.001 0.000 1.190 245 Y HN 0.398 nan 8.280 nan 0.000 0.446 246 I N 6.396 126.661 120.570 -0.509 0.000 2.282 246 I HA 0.179 4.341 4.170 -0.013 0.000 0.290 246 I C 1.042 176.938 176.117 -0.369 0.000 1.090 246 I CA 0.075 61.113 61.300 -0.437 0.000 1.231 246 I CB 1.164 38.694 38.000 -0.783 0.000 1.434 246 I HN 0.784 nan 8.210 nan 0.000 0.487 247 E N 3.272 123.462 120.200 -0.016 0.000 2.049 247 E HA -0.285 4.057 4.350 -0.013 0.000 0.198 247 E C 1.507 178.143 176.600 0.061 0.000 1.007 247 E CA 2.185 58.670 56.400 0.142 0.000 0.809 247 E CB 0.192 29.986 29.700 0.156 0.000 0.749 247 E HN 0.810 nan 8.360 nan 0.000 0.450 248 D N 0.103 120.525 120.400 0.037 0.000 2.178 248 D HA -0.182 4.451 4.640 -0.013 0.000 0.201 248 D C 1.683 177.986 176.300 0.004 0.000 0.980 248 D CA 1.057 55.083 54.000 0.043 0.000 0.842 248 D CB -0.393 40.455 40.800 0.079 0.000 0.948 248 D HN 0.302 nan 8.370 nan 0.000 0.472 249 L N -0.814 120.366 121.223 -0.072 0.000 2.640 249 L HA 0.217 4.549 4.340 -0.013 0.000 0.230 249 L C 0.061 176.838 176.870 -0.155 0.000 1.123 249 L CA -0.426 54.356 54.840 -0.098 0.000 0.900 249 L CB -0.310 41.669 42.059 -0.132 0.000 1.146 249 L HN -0.173 nan 8.230 nan 0.000 0.484 250 K N 0.821 121.098 120.400 -0.204 0.000 3.653 250 K HA -0.161 4.151 4.320 -0.013 0.000 0.275 250 K C -0.186 176.219 176.600 -0.325 0.000 0.962 250 K CA 0.673 56.842 56.287 -0.198 0.000 0.773 250 K CB -1.554 30.958 32.500 0.020 0.000 1.463 250 K HN 0.408 nan 8.250 nan 0.000 0.450 251 A N 1.252 123.654 122.820 -0.697 0.000 2.572 251 A HA 0.545 4.858 4.320 -0.013 0.000 0.295 251 A C -0.773 176.489 177.584 -0.537 0.000 1.072 251 A CA -0.831 50.932 52.037 -0.456 0.000 0.691 251 A CB 1.418 20.215 19.000 -0.339 0.000 1.291 251 A HN 0.286 nan 8.150 nan 0.000 0.404 252 Q N 0.123 119.842 119.800 -0.135 0.000 2.222 252 Q HA 0.649 4.981 4.340 -0.013 0.000 0.252 252 Q C -1.038 175.056 176.000 0.156 0.000 0.926 252 Q CA -0.368 55.497 55.803 0.103 0.000 0.899 252 Q CB 2.537 31.480 28.738 0.342 0.000 1.250 252 Q HN 0.679 nan 8.270 nan 0.000 0.441 253 I N 2.378 123.025 120.570 0.128 0.000 2.498 253 I HA 0.486 4.648 4.170 -0.013 0.000 0.290 253 I C -1.935 174.191 176.117 0.014 0.000 1.032 253 I CA -1.038 60.334 61.300 0.120 0.000 1.073 253 I CB 1.327 39.384 38.000 0.096 0.000 1.251 253 I HN 0.508 nan 8.210 nan 0.000 0.426 254 L N 7.137 128.252 121.223 -0.180 0.000 2.422 254 L HA 0.549 4.881 4.340 -0.013 0.000 0.264 254 L C -1.141 175.510 176.870 -0.364 0.000 0.984 254 L CA -0.139 54.447 54.840 -0.422 0.000 0.819 254 L CB 1.998 43.368 42.059 -1.149 0.000 1.330 254 L HN 0.686 nan 8.230 nan 0.000 0.410 255 E N 4.445 124.393 120.200 -0.421 0.000 2.133 255 E HA 0.460 4.802 4.350 -0.013 0.000 0.274 255 E C -1.663 174.650 176.600 -0.480 0.000 0.930 255 E CA -0.573 55.429 56.400 -0.663 0.000 0.770 255 E CB 1.051 30.287 29.700 -0.774 0.000 1.104 255 E HN 0.713 nan 8.360 nan 0.000 0.403 256 L N 7.367 128.337 121.223 -0.422 0.000 2.277 256 L HA 0.423 4.755 4.340 -0.013 0.000 0.284 256 L C -2.225 174.563 176.870 -0.137 0.000 1.028 256 L CA -2.195 52.440 54.840 -0.341 0.000 0.835 256 L CB 1.185 42.938 42.059 -0.510 0.000 1.215 256 L HN 0.408 nan 8.230 nan 0.000 0.425 257 P HA 0.230 nan 4.420 nan 0.000 0.279 257 P C -1.259 176.114 177.300 0.123 0.000 1.239 257 P CA -0.135 62.961 63.100 -0.007 0.000 0.789 257 P CB 0.624 32.300 31.700 -0.040 0.000 0.933 258 Y N 0.393 120.806 120.300 0.187 0.000 2.519 258 Y HA 0.501 5.043 4.550 -0.014 0.000 0.324 258 Y C 1.985 177.925 175.900 0.066 0.000 1.214 258 Y CA -0.630 57.541 58.100 0.119 0.000 1.260 258 Y CB 0.231 38.706 38.460 0.025 0.000 1.311 258 Y HN 0.425 nan 8.280 nan 0.000 0.505 259 A N 1.297 124.240 122.820 0.205 0.000 1.953 259 A HA -0.196 4.116 4.320 -0.013 0.000 0.212 259 A C 2.067 179.699 177.584 0.080 0.000 1.250 259 A CA 1.926 54.027 52.037 0.107 0.000 0.726 259 A CB -1.653 17.390 19.000 0.073 0.000 0.837 259 A HN 1.105 nan 8.150 nan 0.000 0.481 260 G N -0.892 107.948 108.800 0.066 0.000 3.318 260 G HA2 0.238 4.190 3.960 -0.013 0.000 0.212 260 G HA3 0.238 4.190 3.960 -0.013 0.000 0.212 260 G C -0.041 174.866 174.900 0.013 0.000 1.227 260 G CA 0.938 46.063 45.100 0.042 0.000 1.438 260 G HN 0.628 nan 8.290 nan 0.000 0.525 261 D N -2.007 118.403 120.400 0.016 0.000 2.873 261 D HA -0.155 4.478 4.640 -0.013 0.000 0.228 261 D C -0.102 176.162 176.300 -0.060 0.000 1.122 261 D CA 0.663 54.641 54.000 -0.037 0.000 0.758 261 D CB -1.375 39.360 40.800 -0.110 0.000 1.094 261 D HN 0.272 nan 8.370 nan 0.000 0.434 262 V N 0.823 120.782 119.914 0.075 0.000 2.444 262 V HA 0.460 4.572 4.120 -0.013 0.000 0.294 262 V C 0.229 176.513 176.094 0.318 0.000 1.022 262 V CA -0.208 62.186 62.300 0.156 0.000 0.850 262 V CB 2.169 34.107 31.823 0.191 0.000 0.992 262 V HN 0.073 nan 8.190 nan 0.000 0.426 263 S N 4.721 120.591 115.700 0.283 0.000 2.568 263 S HA 0.650 5.113 4.470 -0.013 0.000 0.293 263 S C -0.526 174.251 174.600 0.295 0.000 1.089 263 S CA -0.597 57.738 58.200 0.226 0.000 0.945 263 S CB 1.894 65.060 63.200 -0.057 0.000 1.077 263 S HN 0.779 nan 8.310 nan 0.000 0.485 264 M N 3.181 122.911 119.600 0.216 0.000 2.113 264 M HA 0.501 4.973 4.480 -0.013 0.000 0.352 264 M C -1.944 174.409 176.300 0.090 0.000 1.170 264 M CA -0.351 55.145 55.300 0.326 0.000 1.053 264 M CB 0.022 32.890 32.600 0.446 0.000 1.601 264 M HN 0.504 nan 8.290 nan 0.000 0.459 265 F N 5.474 125.549 119.950 0.208 0.000 2.420 265 F HA 0.525 5.046 4.527 -0.010 0.000 0.342 265 F C -0.874 175.032 175.800 0.177 0.000 1.113 265 F CA -0.509 57.568 58.000 0.130 0.000 1.059 265 F CB 1.226 40.299 39.000 0.121 0.000 1.128 265 F HN 0.393 nan 8.300 nan 0.000 0.475 266 L N 4.704 126.074 121.223 0.244 0.000 2.356 266 L HA 0.529 4.862 4.340 -0.013 0.000 0.277 266 L C -1.104 175.963 176.870 0.329 0.000 0.996 266 L CA -0.396 54.617 54.840 0.288 0.000 0.822 266 L CB 1.533 43.651 42.059 0.097 0.000 1.256 266 L HN 0.365 nan 8.230 nan 0.000 0.413 267 L N 4.820 126.251 121.223 0.347 0.000 2.298 267 L HA 0.591 4.923 4.340 -0.013 0.000 0.284 267 L C -0.798 176.206 176.870 0.223 0.000 1.013 267 L CA -0.181 54.798 54.840 0.233 0.000 0.824 267 L CB 1.547 43.689 42.059 0.138 0.000 1.221 267 L HN 0.406 nan 8.230 nan 0.000 0.418 268 L N 6.622 127.923 121.223 0.130 0.000 2.377 268 L HA 0.689 5.021 4.340 -0.013 0.000 0.270 268 L C -2.464 174.388 176.870 -0.030 0.000 0.991 268 L CA -1.618 53.199 54.840 -0.037 0.000 0.851 268 L CB 1.541 43.325 42.059 -0.460 0.000 1.218 268 L HN 0.272 nan 8.230 nan 0.000 0.420 269 P HA 0.042 nan 4.420 nan 0.000 0.265 269 P C -0.660 176.724 177.300 0.140 0.000 1.187 269 P CA 0.337 63.477 63.100 0.066 0.000 0.766 269 P CB 0.846 32.614 31.700 0.113 0.000 0.820 270 D N 1.663 122.095 120.400 0.052 0.000 2.735 270 D HA -0.036 4.597 4.640 -0.013 0.000 0.267 270 D C 0.155 176.472 176.300 0.027 0.000 1.081 270 D CA 0.500 54.549 54.000 0.082 0.000 0.980 270 D CB -0.134 40.782 40.800 0.193 0.000 1.129 270 D HN 0.526 nan 8.370 nan 0.000 0.459 271 E N 0.556 120.773 120.200 0.029 0.000 2.331 271 E HA 0.267 4.609 4.350 -0.013 0.000 0.272 271 E C -0.447 176.141 176.600 -0.021 0.000 1.036 271 E CA -0.534 55.866 56.400 -0.001 0.000 0.864 271 E CB 1.029 30.740 29.700 0.019 0.000 1.035 271 E HN 0.083 nan 8.360 nan 0.000 0.408 272 I N 3.360 123.901 120.570 -0.048 0.000 2.306 272 I HA 0.232 4.395 4.170 -0.013 0.000 0.288 272 I C 0.202 176.303 176.117 -0.026 0.000 1.036 272 I CA -0.525 60.744 61.300 -0.052 0.000 1.221 272 I CB 0.449 38.384 38.000 -0.109 0.000 1.385 272 I HN 0.819 nan 8.210 nan 0.000 0.472 273 A N 5.123 127.939 122.820 -0.006 0.000 2.503 273 A HA 0.322 4.634 4.320 -0.013 0.000 0.263 273 A C 0.075 177.662 177.584 0.005 0.000 1.258 273 A CA -0.125 51.912 52.037 0.001 0.000 0.936 273 A CB -0.271 18.734 19.000 0.009 0.000 1.070 273 A HN 0.758 nan 8.150 nan 0.000 0.522 274 D N -2.444 117.958 120.400 0.004 0.000 2.753 274 D HA 0.321 4.953 4.640 -0.013 0.000 0.224 274 D C 0.214 176.514 176.300 0.001 0.000 1.213 274 D CA -0.118 53.886 54.000 0.008 0.000 0.833 274 D CB 1.294 42.105 40.800 0.019 0.000 1.607 274 D HN 0.235 nan 8.370 nan 0.000 0.463 275 V N -0.301 119.613 119.914 0.000 0.000 3.620 275 V HA 0.177 4.290 4.120 -0.013 0.000 0.286 275 V C 0.794 176.889 176.094 0.002 0.000 1.288 275 V CA 1.101 63.398 62.300 -0.004 0.000 1.178 275 V CB -0.656 31.164 31.823 -0.004 0.000 0.986 275 V HN 0.547 nan 8.190 nan 0.000 0.431 276 S N 1.859 117.565 115.700 0.009 0.000 3.976 276 S HA 0.122 4.584 4.470 -0.013 0.000 0.189 276 S C 1.838 176.453 174.600 0.024 0.000 0.917 276 S CA 0.844 59.054 58.200 0.016 0.000 1.552 276 S CB 0.620 63.831 63.200 0.019 0.000 0.676 276 S HN 0.716 nan 8.310 nan 0.000 0.738 277 T N -1.525 113.052 114.554 0.038 0.000 2.995 277 T HA 0.283 4.625 4.350 -0.013 0.000 0.269 277 T C 1.536 176.278 174.700 0.070 0.000 1.091 277 T CA 1.278 63.411 62.100 0.055 0.000 1.128 277 T CB -0.721 68.186 68.868 0.066 0.000 0.891 277 T HN 1.655 nan 8.240 nan 0.000 0.492 278 G N 1.084 109.918 108.800 0.058 0.000 2.143 278 G HA2 -0.221 3.731 3.960 -0.013 0.000 0.249 278 G HA3 -0.221 3.731 3.960 -0.013 0.000 0.249 278 G C 0.543 175.493 174.900 0.084 0.000 0.981 278 G CA 0.373 45.509 45.100 0.060 0.000 0.665 278 G HN 0.574 nan 8.290 nan 0.000 0.528 279 L N -0.338 120.942 121.223 0.095 0.000 2.640 279 L HA 0.283 4.615 4.340 -0.013 0.000 0.230 279 L C 2.298 179.238 176.870 0.117 0.000 1.123 279 L CA 0.282 55.193 54.840 0.118 0.000 0.900 279 L CB -0.024 42.124 42.059 0.149 0.000 1.146 279 L HN 0.293 nan 8.230 nan 0.000 0.484 280 E N 0.627 120.879 120.200 0.088 0.000 2.049 280 E HA -0.288 4.054 4.350 -0.013 0.000 0.198 280 E C 2.034 178.686 176.600 0.088 0.000 1.007 280 E CA 1.513 57.961 56.400 0.081 0.000 0.809 280 E CB -0.015 29.717 29.700 0.053 0.000 0.749 280 E HN 0.273 nan 8.360 nan 0.000 0.450 281 L N 0.808 122.076 121.223 0.075 0.000 2.027 281 L HA -0.145 4.188 4.340 -0.013 0.000 0.206 281 L C 2.115 179.048 176.870 0.106 0.000 1.074 281 L CA 1.405 56.291 54.840 0.076 0.000 0.745 281 L CB -0.283 41.807 42.059 0.051 0.000 0.898 281 L HN 0.133 nan 8.230 nan 0.000 0.433 282 L N -0.567 120.719 121.223 0.105 0.000 2.042 282 L HA -0.254 4.079 4.340 -0.013 0.000 0.210 282 L C 2.539 179.542 176.870 0.221 0.000 1.076 282 L CA 1.717 56.643 54.840 0.143 0.000 0.749 282 L CB -0.503 41.617 42.059 0.102 0.000 0.893 282 L HN 0.389 nan 8.230 nan 0.000 0.432 283 E N -0.596 119.738 120.200 0.223 0.000 2.150 283 E HA -0.167 4.175 4.350 -0.013 0.000 0.193 283 E C 2.184 178.909 176.600 0.208 0.000 0.985 283 E CA 1.437 58.009 56.400 0.287 0.000 0.814 283 E CB -0.026 29.871 29.700 0.329 0.000 0.752 283 E HN 0.558 nan 8.360 nan 0.000 0.466 284 S N 0.676 116.464 115.700 0.147 0.000 2.470 284 S HA -0.005 4.457 4.470 -0.013 0.000 0.225 284 S C 1.637 176.309 174.600 0.120 0.000 1.006 284 S CA 0.413 58.678 58.200 0.108 0.000 0.934 284 S CB 0.145 63.390 63.200 0.074 0.000 0.778 284 S HN 0.113 nan 8.310 nan 0.000 0.517 285 E N 0.737 121.032 120.200 0.159 0.000 2.415 285 E HA 0.313 4.656 4.350 -0.013 0.000 0.197 285 E C 0.568 177.286 176.600 0.196 0.000 1.007 285 E CA -0.247 56.257 56.400 0.174 0.000 0.890 285 E CB 0.143 29.974 29.700 0.217 0.000 0.891 285 E HN 0.572 nan 8.360 nan 0.000 0.496 286 I N 2.692 123.407 120.570 0.241 0.000 2.648 286 I HA -0.040 4.123 4.170 -0.013 0.000 0.284 286 I C 0.105 176.224 176.117 0.005 0.000 1.153 286 I CA 0.580 61.980 61.300 0.167 0.000 1.426 286 I CB 0.483 38.647 38.000 0.272 0.000 1.381 286 I HN -0.026 nan 8.210 nan 0.000 0.571 287 T N 2.918 117.377 114.554 -0.158 0.000 2.841 287 T HA 0.197 4.539 4.350 -0.013 0.000 0.296 287 T C 0.453 175.048 174.700 -0.174 0.000 1.166 287 T CA -0.602 61.437 62.100 -0.103 0.000 1.007 287 T CB 0.898 69.727 68.868 -0.064 0.000 1.253 287 T HN 0.610 nan 8.240 nan 0.000 0.511 288 Y N 1.258 121.465 120.300 -0.155 0.000 2.081 288 Y HA -0.175 4.370 4.550 -0.008 0.000 0.280 288 Y C 1.970 177.749 175.900 -0.201 0.000 1.163 288 Y CA 2.448 60.456 58.100 -0.152 0.000 1.135 288 Y CB -0.510 37.891 38.460 -0.098 0.000 0.970 288 Y HN 0.734 nan 8.280 nan 0.000 0.498 289 D N -0.079 120.230 120.400 -0.151 0.000 2.144 289 D HA -0.154 4.479 4.640 -0.013 0.000 0.199 289 D C 2.072 178.136 176.300 -0.393 0.000 0.984 289 D CA 1.469 55.346 54.000 -0.206 0.000 0.834 289 D CB -0.164 40.608 40.800 -0.048 0.000 0.955 289 D HN 0.429 nan 8.370 nan 0.000 0.465 290 K N -0.069 120.016 120.400 -0.525 0.000 2.025 290 K HA -0.095 4.217 4.320 -0.013 0.000 0.207 290 K C 2.059 177.754 176.600 -1.508 0.000 1.049 290 K CA 0.357 56.071 56.287 -0.955 0.000 0.933 290 K CB -0.225 31.704 32.500 -0.951 0.000 0.714 290 K HN 0.029 nan 8.250 nan 0.000 0.438 291 L N 2.268 122.816 121.223 -1.125 0.000 2.046 291 L HA -0.188 4.144 4.340 -0.013 0.000 0.208 291 L C 1.861 178.439 176.870 -0.487 0.000 1.077 291 L CA 1.691 56.108 54.840 -0.705 0.000 0.747 291 L CB -0.721 41.104 42.059 -0.390 0.000 0.896 291 L HN 0.243 nan 8.230 nan 0.000 0.432 292 N N -0.278 118.083 118.700 -0.564 0.000 2.061 292 N HA -0.293 4.439 4.740 -0.013 0.000 0.193 292 N C 1.969 177.330 175.510 -0.249 0.000 1.030 292 N CA 1.875 54.673 53.050 -0.420 0.000 0.856 292 N CB -0.048 38.151 38.487 -0.479 0.000 1.023 292 N HN 0.448 nan 8.380 nan 0.000 0.424 293 K N -0.132 120.109 120.400 -0.264 0.000 2.057 293 K HA -0.122 4.190 4.320 -0.013 0.000 0.206 293 K C 1.802 178.432 176.600 0.051 0.000 1.050 293 K CA 0.944 57.165 56.287 -0.110 0.000 0.935 293 K CB -0.184 32.237 32.500 -0.131 0.000 0.715 293 K HN 0.189 nan 8.250 nan 0.000 0.439 294 W N 1.601 122.867 121.300 -0.057 0.000 2.374 294 W HA -0.073 4.583 4.660 -0.006 0.000 0.288 294 W C 2.073 178.577 176.519 -0.025 0.000 1.218 294 W CA 1.700 59.027 57.345 -0.030 0.000 1.245 294 W CB -1.169 28.272 29.460 -0.031 0.000 1.126 294 W HN 0.307 nan 8.180 nan 0.000 0.545 295 T N -2.343 112.286 114.554 0.125 0.000 3.107 295 T HA 0.098 4.440 4.350 -0.013 0.000 0.249 295 T C 0.994 175.721 174.700 0.045 0.000 1.096 295 T CA 0.309 62.423 62.100 0.024 0.000 1.012 295 T CB -0.442 68.261 68.868 -0.276 0.000 0.977 295 T HN -0.027 nan 8.240 nan 0.000 0.527 296 S N 1.347 117.073 115.700 0.044 0.000 2.572 296 S HA 0.208 4.670 4.470 -0.013 0.000 0.279 296 S C 1.240 175.883 174.600 0.070 0.000 1.341 296 S CA -0.518 57.706 58.200 0.040 0.000 1.043 296 S CB 1.481 64.695 63.200 0.023 0.000 0.887 296 S HN 0.486 nan 8.310 nan 0.000 0.516 297 K N 1.121 121.557 120.400 0.060 0.000 2.209 297 K HA -0.135 4.178 4.320 -0.013 0.000 0.204 297 K C 0.737 177.370 176.600 0.054 0.000 1.048 297 K CA 1.831 58.154 56.287 0.061 0.000 0.940 297 K CB -0.309 32.220 32.500 0.049 0.000 0.729 297 K HN 0.633 nan 8.250 nan 0.000 0.451 298 D N 0.591 121.021 120.400 0.051 0.000 2.224 298 D HA -0.089 4.543 4.640 -0.013 0.000 0.205 298 D C 1.161 177.499 176.300 0.064 0.000 0.965 298 D CA 0.877 54.907 54.000 0.050 0.000 0.852 298 D CB 0.153 40.981 40.800 0.046 0.000 0.947 298 D HN 0.232 nan 8.370 nan 0.000 0.494 299 K N -0.510 119.939 120.400 0.081 0.000 2.354 299 K HA 0.241 4.553 4.320 -0.013 0.000 0.194 299 K C 0.572 177.236 176.600 0.107 0.000 1.038 299 K CA 0.035 56.384 56.287 0.104 0.000 1.052 299 K CB 0.968 33.551 32.500 0.137 0.000 0.861 299 K HN 0.191 nan 8.250 nan 0.000 0.535 300 M N 1.343 121.002 119.600 0.099 0.000 2.018 300 M HA 0.352 4.824 4.480 -0.013 0.000 0.311 300 M C -0.995 175.343 176.300 0.063 0.000 0.928 300 M CA -0.439 54.918 55.300 0.096 0.000 0.911 300 M CB 1.916 34.599 32.600 0.139 0.000 1.447 300 M HN -0.111 nan 8.290 nan 0.000 0.407 301 A N 2.497 125.344 122.820 0.044 0.000 2.320 301 A HA 0.554 4.866 4.320 -0.013 0.000 0.334 301 A C -0.387 177.198 177.584 0.002 0.000 1.147 301 A CA -0.653 51.398 52.037 0.024 0.000 0.820 301 A CB 0.936 19.950 19.000 0.024 0.000 1.218 301 A HN 0.780 nan 8.150 nan 0.000 0.482 302 E N 0.825 121.020 120.200 -0.009 0.000 2.384 302 E HA 0.307 4.649 4.350 -0.013 0.000 0.266 302 E C -1.118 175.464 176.600 -0.031 0.000 1.012 302 E CA -0.007 56.375 56.400 -0.031 0.000 0.901 302 E CB 0.527 30.206 29.700 -0.036 0.000 0.967 302 E HN 0.538 nan 8.360 nan 0.000 0.435 303 D N 2.626 122.998 120.400 -0.047 0.000 2.663 303 D HA 0.073 4.706 4.640 -0.013 0.000 0.233 303 D C -1.577 174.686 176.300 -0.062 0.000 1.240 303 D CA -0.543 53.432 54.000 -0.042 0.000 0.774 303 D CB 1.576 42.361 40.800 -0.025 0.000 1.443 303 D HN 0.536 nan 8.370 nan 0.000 0.441 304 E N 1.567 121.735 120.200 -0.053 0.000 2.104 304 E HA 0.377 4.719 4.350 -0.013 0.000 0.278 304 E C -0.707 175.856 176.600 -0.061 0.000 1.127 304 E CA -0.228 56.132 56.400 -0.067 0.000 0.897 304 E CB 0.536 30.207 29.700 -0.049 0.000 1.043 304 E HN 0.151 nan 8.360 nan 0.000 0.410 305 V N 3.888 123.745 119.914 -0.095 0.000 2.815 305 V HA 0.317 4.429 4.120 -0.013 0.000 0.314 305 V C -0.200 175.839 176.094 -0.092 0.000 1.064 305 V CA -0.930 61.331 62.300 -0.065 0.000 0.952 305 V CB 1.985 33.752 31.823 -0.093 0.000 1.020 305 V HN 0.605 nan 8.190 nan 0.000 0.439 306 E N 1.570 121.769 120.200 -0.003 0.000 2.151 306 E HA 0.573 4.915 4.350 -0.013 0.000 0.275 306 E C -1.430 175.184 176.600 0.024 0.000 0.936 306 E CA -0.492 55.895 56.400 -0.022 0.000 0.777 306 E CB 2.270 32.109 29.700 0.231 0.000 1.108 306 E HN 0.430 nan 8.360 nan 0.000 0.401 307 V N 4.087 123.875 119.914 -0.210 0.000 2.417 307 V HA 0.295 4.408 4.120 -0.013 0.000 0.291 307 V C -1.151 174.923 176.094 -0.033 0.000 1.024 307 V CA -0.763 61.520 62.300 -0.028 0.000 0.861 307 V CB 0.581 32.328 31.823 -0.127 0.000 0.985 307 V HN 0.576 nan 8.190 nan 0.000 0.436 308 Y N 5.639 126.012 120.300 0.122 0.000 2.326 308 Y HA 0.760 5.302 4.550 -0.013 0.000 0.331 308 Y C 0.056 175.927 175.900 -0.048 0.000 0.962 308 Y CA -0.863 57.261 58.100 0.040 0.000 1.167 308 Y CB 1.714 40.150 38.460 -0.040 0.000 1.148 308 Y HN 0.655 nan 8.280 nan 0.000 0.463 309 I N 1.597 122.152 120.570 -0.026 0.000 2.769 309 I HA 0.789 4.951 4.170 -0.013 0.000 0.298 309 I C -3.058 172.987 176.117 -0.120 0.000 1.128 309 I CA -2.961 58.272 61.300 -0.112 0.000 1.031 309 I CB 2.707 40.557 38.000 -0.250 0.000 1.235 309 I HN 0.163 nan 8.210 nan 0.000 0.423 310 P HA 0.101 nan 4.420 nan 0.000 0.274 310 P C -1.270 176.023 177.300 -0.012 0.000 1.231 310 P CA -0.150 62.955 63.100 0.009 0.000 0.790 310 P CB 0.600 32.311 31.700 0.018 0.000 0.951 311 Q N 1.758 121.539 119.800 -0.032 0.000 2.296 311 Q HA 0.455 4.787 4.340 -0.013 0.000 0.262 311 Q C -1.051 174.965 176.000 0.027 0.000 0.981 311 Q CA -0.150 55.612 55.803 -0.068 0.000 0.905 311 Q CB -0.119 28.592 28.738 -0.044 0.000 1.186 311 Q HN 0.445 nan 8.270 nan 0.000 0.399 312 F N 0.457 120.271 119.950 -0.226 0.000 2.713 312 F HA 0.621 5.140 4.527 -0.013 0.000 0.311 312 F C -1.866 173.845 175.800 -0.149 0.000 1.141 312 F CA -1.232 56.634 58.000 -0.223 0.000 0.939 312 F CB 1.356 40.049 39.000 -0.511 0.000 1.325 312 F HN 0.241 nan 8.300 nan 0.000 0.453 313 K N 2.311 122.774 120.400 0.105 0.000 2.471 313 K HA 0.721 5.033 4.320 -0.013 0.000 0.252 313 K C -1.819 174.894 176.600 0.187 0.000 0.938 313 K CA -0.641 55.667 56.287 0.035 0.000 0.796 313 K CB 2.528 35.062 32.500 0.056 0.000 1.161 313 K HN 0.718 nan 8.250 nan 0.000 0.425 314 L N 1.947 123.239 121.223 0.115 0.000 2.362 314 L HA 0.503 4.835 4.340 -0.013 0.000 0.271 314 L C -0.618 176.357 176.870 0.174 0.000 1.002 314 L CA -0.693 54.252 54.840 0.175 0.000 0.818 314 L CB 2.149 44.312 42.059 0.174 0.000 1.298 314 L HN 0.624 nan 8.230 nan 0.000 0.420 315 E N 2.365 122.710 120.200 0.242 0.000 2.316 315 E HA 0.305 4.648 4.350 -0.013 0.000 0.254 315 E C -1.472 175.323 176.600 0.325 0.000 0.902 315 E CA -0.481 56.093 56.400 0.290 0.000 0.801 315 E CB 1.395 31.245 29.700 0.251 0.000 1.270 315 E HN 0.401 nan 8.360 nan 0.000 0.414 316 E N 2.358 122.784 120.200 0.376 0.000 2.238 316 E HA 0.369 4.711 4.350 -0.013 0.000 0.267 316 E C -1.192 175.498 176.600 0.151 0.000 0.887 316 E CA -0.848 55.685 56.400 0.221 0.000 0.769 316 E CB 1.409 31.261 29.700 0.252 0.000 1.187 316 E HN 0.490 nan 8.360 nan 0.000 0.416 317 H N 1.250 120.120 119.070 -0.334 0.000 2.538 317 H HA 0.502 5.051 4.556 -0.013 0.000 0.353 317 H C -0.791 174.235 175.328 -0.504 0.000 1.109 317 H CA -0.510 55.403 56.048 -0.224 0.000 1.192 317 H CB 0.565 30.312 29.762 -0.025 0.000 1.555 317 H HN 0.367 nan 8.280 nan 0.000 0.518 318 Y N -0.228 120.272 120.300 0.333 0.000 2.570 318 Y HA 0.421 4.964 4.550 -0.011 0.000 0.345 318 Y C 0.036 176.056 175.900 0.201 0.000 1.014 318 Y CA -0.952 57.290 58.100 0.236 0.000 1.063 318 Y CB 1.944 40.531 38.460 0.212 0.000 1.272 318 Y HN 0.501 nan 8.280 nan 0.000 0.477 319 E N 2.108 122.451 120.200 0.239 0.000 2.207 319 E HA 0.318 4.661 4.350 -0.013 0.000 0.250 319 E C -0.430 176.164 176.600 -0.010 0.000 0.890 319 E CA -0.039 56.356 56.400 -0.008 0.000 0.749 319 E CB 0.847 30.521 29.700 -0.043 0.000 1.193 319 E HN 0.607 nan 8.360 nan 0.000 0.423 320 L N 2.213 123.419 121.223 -0.029 0.000 2.592 320 L HA 0.132 4.465 4.340 -0.013 0.000 0.227 320 L C 2.342 179.102 176.870 -0.183 0.000 1.127 320 L CA 0.031 54.843 54.840 -0.046 0.000 0.884 320 L CB -0.199 41.865 42.059 0.008 0.000 1.065 320 L HN 0.455 nan 8.230 nan 0.000 0.457 321 R N 0.937 121.263 120.500 -0.289 0.000 2.083 321 R HA -0.214 4.118 4.340 -0.013 0.000 0.237 321 R C 2.431 178.362 176.300 -0.614 0.000 1.137 321 R CA 2.196 57.863 56.100 -0.722 0.000 0.951 321 R CB -0.232 29.738 30.300 -0.549 0.000 0.851 321 R HN 0.430 nan 8.270 nan 0.000 0.434 322 S N 0.193 115.704 115.700 -0.316 0.000 2.428 322 S HA -0.046 4.416 4.470 -0.013 0.000 0.230 322 S C 2.131 176.630 174.600 -0.169 0.000 1.014 322 S CA 0.728 58.797 58.200 -0.218 0.000 0.957 322 S CB -0.199 62.928 63.200 -0.121 0.000 0.784 322 S HN 0.285 nan 8.310 nan 0.000 0.499 323 I N 1.724 122.205 120.570 -0.150 0.000 2.202 323 I HA -0.043 4.120 4.170 -0.013 0.000 0.242 323 I C 2.483 178.508 176.117 -0.154 0.000 1.091 323 I CA 1.028 62.262 61.300 -0.110 0.000 1.368 323 I CB -1.370 36.569 38.000 -0.100 0.000 1.058 323 I HN 0.343 nan 8.210 nan 0.000 0.410 324 L N 0.163 121.281 121.223 -0.175 0.000 2.083 324 L HA -0.165 4.167 4.340 -0.013 0.000 0.209 324 L C 2.804 179.621 176.870 -0.089 0.000 1.083 324 L CA 1.175 55.963 54.840 -0.087 0.000 0.752 324 L CB -0.511 41.593 42.059 0.076 0.000 0.899 324 L HN 0.168 nan 8.230 nan 0.000 0.433 325 R N -0.188 120.190 120.500 -0.202 0.000 2.081 325 R HA -0.139 4.193 4.340 -0.013 0.000 0.235 325 R C 2.623 178.883 176.300 -0.067 0.000 1.131 325 R CA 1.652 57.691 56.100 -0.102 0.000 0.960 325 R CB -0.356 29.851 30.300 -0.155 0.000 0.856 325 R HN 0.460 nan 8.270 nan 0.000 0.436 326 S N 0.398 116.052 115.700 -0.076 0.000 2.423 326 S HA -0.125 4.337 4.470 -0.013 0.000 0.231 326 S C 1.907 176.468 174.600 -0.066 0.000 1.014 326 S CA 0.980 59.178 58.200 -0.003 0.000 0.965 326 S CB -0.159 63.096 63.200 0.092 0.000 0.785 326 S HN 0.222 nan 8.310 nan 0.000 0.495 327 M N 0.895 120.315 119.600 -0.299 0.000 2.557 327 M HA 0.179 4.651 4.480 -0.013 0.000 0.259 327 M C 1.715 177.927 176.300 -0.147 0.000 1.086 327 M CA 0.957 56.002 55.300 -0.425 0.000 1.096 327 M CB -0.179 32.152 32.600 -0.447 0.000 1.424 327 M HN 0.676 nan 8.290 nan 0.000 0.488 328 G N 0.513 109.273 108.800 -0.066 0.000 2.205 328 G HA2 -0.185 3.767 3.960 -0.013 0.000 0.180 328 G HA3 -0.185 3.767 3.960 -0.013 0.000 0.180 328 G C 0.180 175.086 174.900 0.010 0.000 1.004 328 G CA -0.348 44.739 45.100 -0.022 0.000 0.670 328 G HN 0.423 nan 8.290 nan 0.000 0.496 329 M N 1.762 121.391 119.600 0.048 0.000 3.117 329 M HA 0.461 4.934 4.480 -0.013 0.000 0.292 329 M C 0.977 177.411 176.300 0.223 0.000 1.357 329 M CA -0.118 55.257 55.300 0.126 0.000 1.463 329 M CB -0.052 32.648 32.600 0.167 0.000 1.105 329 M HN 0.301 nan 8.290 nan 0.000 0.553 330 E N 0.687 120.967 120.200 0.134 0.000 2.079 330 E HA -0.101 4.241 4.350 -0.013 0.000 0.191 330 E C 0.798 177.493 176.600 0.159 0.000 0.961 330 E CA 0.788 57.277 56.400 0.147 0.000 0.823 330 E CB 0.310 30.047 29.700 0.061 0.000 0.789 330 E HN 0.681 nan 8.360 nan 0.000 0.459 331 D N 1.227 121.670 120.400 0.072 0.000 2.182 331 D HA -0.144 4.488 4.640 -0.013 0.000 0.201 331 D C 1.818 178.135 176.300 0.027 0.000 0.986 331 D CA 1.208 55.220 54.000 0.020 0.000 0.847 331 D CB -0.277 40.499 40.800 -0.041 0.000 0.942 331 D HN 0.156 nan 8.370 nan 0.000 0.467 332 A N -0.131 122.698 122.820 0.015 0.000 1.972 332 A HA -0.141 4.171 4.320 -0.013 0.000 0.219 332 A C 1.554 179.154 177.584 0.027 0.000 1.169 332 A CA 0.941 52.970 52.037 -0.014 0.000 0.635 332 A CB -0.695 18.204 19.000 -0.167 0.000 0.810 332 A HN 0.213 nan 8.150 nan 0.000 0.446 333 F N -0.553 119.529 119.950 0.220 0.000 2.727 333 F HA 0.228 4.747 4.527 -0.014 0.000 0.302 333 F C 0.711 176.593 175.800 0.137 0.000 1.097 333 F CA -0.294 57.851 58.000 0.242 0.000 1.330 333 F CB 0.163 39.240 39.000 0.129 0.000 1.084 333 F HN 0.139 nan 8.300 nan 0.000 0.578 334 N N 1.275 120.067 118.700 0.154 0.000 2.476 334 N HA 0.074 4.807 4.740 -0.013 0.000 0.257 334 N C 1.003 176.337 175.510 -0.292 0.000 0.970 334 N CA -0.047 52.953 53.050 -0.084 0.000 0.938 334 N CB 1.051 39.524 38.487 -0.023 0.000 1.144 334 N HN 0.101 nan 8.380 nan 0.000 0.500 335 K N 2.435 122.355 120.400 -0.800 0.000 2.127 335 K HA -0.153 4.160 4.320 -0.013 0.000 0.208 335 K C 1.315 177.723 176.600 -0.319 0.000 1.047 335 K CA 1.971 57.698 56.287 -0.932 0.000 0.927 335 K CB -0.197 31.713 32.500 -0.983 0.000 0.716 335 K HN 0.643 nan 8.250 nan 0.000 0.450 336 G N -0.393 108.275 108.800 -0.219 0.000 2.712 336 G HA2 -0.093 3.860 3.960 -0.013 0.000 0.212 336 G HA3 -0.093 3.860 3.960 -0.013 0.000 0.212 336 G C 1.299 176.152 174.900 -0.078 0.000 1.142 336 G CA -0.036 44.995 45.100 -0.115 0.000 0.789 336 G HN 0.196 nan 8.290 nan 0.000 0.535 337 R N -0.661 119.793 120.500 -0.077 0.000 2.507 337 R HA 0.299 4.631 4.340 -0.013 0.000 0.230 337 R C 1.040 177.300 176.300 -0.065 0.000 0.897 337 R CA 0.283 56.347 56.100 -0.059 0.000 1.006 337 R CB 0.315 30.583 30.300 -0.052 0.000 1.341 337 R HN 0.223 nan 8.270 nan 0.000 0.604 338 A N 2.533 125.328 122.820 -0.041 0.000 2.555 338 A HA 0.014 4.326 4.320 -0.013 0.000 0.233 338 A C 0.097 177.590 177.584 -0.152 0.000 1.060 338 A CA 0.344 52.332 52.037 -0.082 0.000 0.759 338 A CB 0.003 19.098 19.000 0.158 0.000 0.995 338 A HN 0.185 nan 8.150 nan 0.000 0.506 339 N N 1.400 119.867 118.700 -0.389 0.000 2.573 339 N HA 0.407 5.140 4.740 -0.013 0.000 0.262 339 N C -1.608 173.547 175.510 -0.592 0.000 1.029 339 N CA -0.372 52.480 53.050 -0.330 0.000 0.882 339 N CB 0.429 38.779 38.487 -0.229 0.000 1.204 339 N HN 0.377 nan 8.380 nan 0.000 0.519 340 F N 1.390 121.300 119.950 -0.065 0.000 2.923 340 F HA 0.297 4.816 4.527 -0.013 0.000 0.314 340 F C 1.793 177.518 175.800 -0.124 0.000 1.196 340 F CA -0.334 57.598 58.000 -0.114 0.000 1.320 340 F CB 0.352 39.283 39.000 -0.113 0.000 0.953 340 F HN 0.349 nan 8.300 nan 0.000 0.505 341 S N 0.214 115.903 115.700 -0.018 0.000 2.400 341 S HA -0.171 4.291 4.470 -0.013 0.000 0.232 341 S C 2.525 177.104 174.600 -0.036 0.000 1.025 341 S CA 1.432 59.618 58.200 -0.024 0.000 0.993 341 S CB -0.457 62.720 63.200 -0.038 0.000 0.808 341 S HN 0.645 nan 8.310 nan 0.000 0.478 342 G N 1.264 110.026 108.800 -0.063 0.000 2.450 342 G HA2 -0.192 3.761 3.960 -0.013 0.000 0.220 342 G HA3 -0.192 3.761 3.960 -0.013 0.000 0.220 342 G C 1.312 176.111 174.900 -0.169 0.000 1.130 342 G CA 0.788 45.837 45.100 -0.085 0.000 0.760 342 G HN 0.460 nan 8.290 nan 0.000 0.557 343 M N -0.614 118.835 119.600 -0.250 0.000 2.394 343 M HA 0.194 4.667 4.480 -0.013 0.000 0.266 343 M C 0.805 177.098 176.300 -0.012 0.000 1.098 343 M CA 0.473 55.547 55.300 -0.377 0.000 1.149 343 M CB 0.512 32.918 32.600 -0.323 0.000 1.369 343 M HN 0.168 nan 8.290 nan 0.000 0.450 344 S N -0.293 115.396 115.700 -0.018 0.000 2.543 344 S HA 0.153 4.616 4.470 -0.013 0.000 0.273 344 S C 0.157 174.751 174.600 -0.010 0.000 1.152 344 S CA -0.750 57.441 58.200 -0.015 0.000 0.910 344 S CB 1.261 64.410 63.200 -0.085 0.000 1.105 344 S HN 0.470 nan 8.310 nan 0.000 0.465 345 E N 2.531 122.727 120.200 -0.007 0.000 2.418 345 E HA -0.006 4.337 4.350 -0.013 0.000 0.197 345 E C 0.802 177.396 176.600 -0.009 0.000 1.026 345 E CA 0.214 56.611 56.400 -0.005 0.000 0.862 345 E CB 0.161 29.860 29.700 -0.001 0.000 0.799 345 E HN 0.422 nan 8.360 nan 0.000 0.518 346 R N 1.228 121.717 120.500 -0.018 0.000 2.389 346 R HA 0.051 4.383 4.340 -0.013 0.000 0.295 346 R C 0.398 176.701 176.300 0.004 0.000 1.075 346 R CA 0.100 56.192 56.100 -0.014 0.000 1.005 346 R CB 0.568 30.849 30.300 -0.032 0.000 0.987 346 R HN 0.105 nan 8.270 nan 0.000 0.452 347 N N 1.994 120.702 118.700 0.013 0.000 2.270 347 N HA -0.171 4.561 4.740 -0.013 0.000 0.181 347 N C -0.125 175.417 175.510 0.053 0.000 1.016 347 N CA 1.012 54.076 53.050 0.024 0.000 0.870 347 N CB 0.155 38.650 38.487 0.015 0.000 0.979 347 N HN 0.530 nan 8.380 nan 0.000 0.431 348 D N 0.037 120.472 120.400 0.058 0.000 2.619 348 D HA 0.188 4.820 4.640 -0.013 0.000 0.224 348 D C -1.483 174.892 176.300 0.126 0.000 1.133 348 D CA -0.073 53.988 54.000 0.102 0.000 1.017 348 D CB -0.288 40.560 40.800 0.080 0.000 1.077 348 D HN 0.163 nan 8.370 nan 0.000 0.503 349 L N 3.947 125.280 121.223 0.183 0.000 2.516 349 L HA 0.583 4.915 4.340 -0.013 0.000 0.267 349 L C -1.764 175.301 176.870 0.325 0.000 0.957 349 L CA -0.800 54.115 54.840 0.125 0.000 0.860 349 L CB 0.999 43.077 42.059 0.031 0.000 1.265 349 L HN 0.059 nan 8.230 nan 0.000 0.403 350 F N 3.468 123.458 119.950 0.066 0.000 2.692 350 F HA 0.745 5.264 4.527 -0.014 0.000 0.320 350 F C -1.705 174.059 175.800 -0.060 0.000 1.123 350 F CA -1.474 56.610 58.000 0.140 0.000 0.961 350 F CB 0.999 40.072 39.000 0.122 0.000 1.383 350 F HN 0.372 nan 8.300 nan 0.000 0.483 351 L N 1.935 123.144 121.223 -0.023 0.000 2.278 351 L HA 0.466 4.799 4.340 -0.013 0.000 0.287 351 L C 0.629 177.471 176.870 -0.048 0.000 1.072 351 L CA 0.580 55.245 54.840 -0.290 0.000 0.819 351 L CB 0.948 42.695 42.059 -0.521 0.000 1.176 351 L HN 0.826 nan 8.230 nan 0.000 0.435 352 S N 2.500 118.087 115.700 -0.188 0.000 2.406 352 S HA 0.114 4.576 4.470 -0.013 0.000 0.224 352 S C 0.220 174.905 174.600 0.142 0.000 1.030 352 S CA 0.548 58.739 58.200 -0.016 0.000 0.958 352 S CB 0.021 63.077 63.200 -0.240 0.000 0.811 352 S HN 0.720 nan 8.310 nan 0.000 0.489 353 E N -0.866 119.390 120.200 0.094 0.000 2.403 353 E HA 0.445 4.787 4.350 -0.013 0.000 0.280 353 E C -2.154 174.414 176.600 -0.054 0.000 1.101 353 E CA -0.456 55.931 56.400 -0.022 0.000 0.856 353 E CB 1.190 30.693 29.700 -0.328 0.000 1.303 353 E HN -0.149 nan 8.360 nan 0.000 0.441 354 V N 3.244 123.067 119.914 -0.151 0.000 2.409 354 V HA 0.510 4.623 4.120 -0.013 0.000 0.290 354 V C -0.887 175.113 176.094 -0.157 0.000 1.017 354 V CA -0.581 61.701 62.300 -0.029 0.000 0.841 354 V CB 0.724 32.617 31.823 0.117 0.000 1.003 354 V HN 0.536 nan 8.190 nan 0.000 0.426 355 F N 3.650 123.726 119.950 0.210 0.000 2.411 355 F HA 0.543 5.062 4.527 -0.012 0.000 0.355 355 F C 0.251 176.224 175.800 0.288 0.000 1.117 355 F CA -0.279 57.858 58.000 0.228 0.000 1.139 355 F CB 0.819 39.930 39.000 0.185 0.000 1.120 355 F HN 0.552 nan 8.300 nan 0.000 0.493 356 H N 2.933 122.212 119.070 0.348 0.000 2.658 356 H HA 0.379 4.928 4.556 -0.012 0.000 0.337 356 H C -1.159 174.363 175.328 0.324 0.000 1.009 356 H CA -0.599 55.635 56.048 0.310 0.000 1.231 356 H CB 1.312 31.251 29.762 0.296 0.000 1.508 356 H HN 0.681 nan 8.280 nan 0.000 0.517 357 Q N 4.093 123.787 119.800 -0.176 0.000 2.340 357 Q HA 0.744 5.077 4.340 -0.013 0.000 0.268 357 Q C -1.719 174.150 176.000 -0.218 0.000 1.031 357 Q CA -1.129 54.569 55.803 -0.176 0.000 0.804 357 Q CB 1.552 30.142 28.738 -0.248 0.000 1.286 357 Q HN 0.780 nan 8.270 nan 0.000 0.448 358 A N 4.882 127.736 122.820 0.056 0.000 2.386 358 A HA 0.852 5.164 4.320 -0.013 0.000 0.311 358 A C -0.961 176.963 177.584 0.567 0.000 1.068 358 A CA -0.825 51.391 52.037 0.299 0.000 0.743 358 A CB 1.293 20.478 19.000 0.308 0.000 1.258 358 A HN 0.794 nan 8.150 nan 0.000 0.429 359 M N 2.098 122.046 119.600 0.581 0.000 2.378 359 M HA 0.744 5.216 4.480 -0.013 0.000 0.289 359 M C -1.365 175.073 176.300 0.230 0.000 1.136 359 M CA -0.899 54.670 55.300 0.448 0.000 0.917 359 M CB 1.677 34.527 32.600 0.416 0.000 1.669 359 M HN 0.497 nan 8.290 nan 0.000 0.461 360 V N 1.350 121.205 119.914 -0.097 0.000 2.925 360 V HA 0.588 4.701 4.120 -0.013 0.000 0.311 360 V C -1.845 174.080 176.094 -0.282 0.000 1.104 360 V CA -0.275 61.815 62.300 -0.350 0.000 0.954 360 V CB 2.638 34.130 31.823 -0.551 0.000 1.022 360 V HN 0.918 nan 8.190 nan 0.000 0.427 361 D N 4.072 124.268 120.400 -0.339 0.000 2.425 361 D HA 0.481 5.113 4.640 -0.013 0.000 0.240 361 D C -0.827 175.236 176.300 -0.396 0.000 1.080 361 D CA 0.076 53.918 54.000 -0.264 0.000 0.836 361 D CB 2.023 42.758 40.800 -0.108 0.000 1.125 361 D HN 0.310 nan 8.370 nan 0.000 0.525 362 V N 4.255 123.823 119.914 -0.575 0.000 2.334 362 V HA 0.396 4.508 4.120 -0.013 0.000 0.281 362 V C 0.132 176.022 176.094 -0.340 0.000 1.016 362 V CA -0.627 61.326 62.300 -0.578 0.000 0.832 362 V CB 1.157 32.275 31.823 -1.174 0.000 0.999 362 V HN 0.573 nan 8.190 nan 0.000 0.439 363 N N 3.591 122.214 118.700 -0.127 0.000 3.229 363 N HA 0.329 5.061 4.740 -0.013 0.000 0.315 363 N C 0.693 176.285 175.510 0.137 0.000 1.520 363 N CA -0.593 52.434 53.050 -0.038 0.000 0.769 363 N CB 0.848 39.312 38.487 -0.040 0.000 1.766 363 N HN 0.352 nan 8.380 nan 0.000 0.618 364 E N -0.513 119.766 120.200 0.131 0.000 2.442 364 E HA -0.018 4.324 4.350 -0.013 0.000 0.195 364 E C -0.859 175.946 176.600 0.342 0.000 1.030 364 E CA 0.383 56.941 56.400 0.262 0.000 0.869 364 E CB -0.392 29.404 29.700 0.160 0.000 0.857 364 E HN 0.725 nan 8.360 nan 0.000 0.505 365 E N 1.333 121.665 120.200 0.219 0.000 2.493 365 E HA 0.302 4.645 4.350 -0.013 0.000 0.255 365 E C 0.169 176.897 176.600 0.213 0.000 0.999 365 E CA 0.373 56.866 56.400 0.156 0.000 0.934 365 E CB 0.779 30.515 29.700 0.060 0.000 0.940 365 E HN 0.327 nan 8.360 nan 0.000 0.473 366 G N 2.169 111.078 108.800 0.182 0.000 3.140 366 G HA2 0.479 4.432 3.960 -0.013 0.000 0.271 366 G HA3 0.479 4.432 3.960 -0.013 0.000 0.271 366 G C -0.251 174.702 174.900 0.088 0.000 1.370 366 G CA -0.552 44.658 45.100 0.183 0.000 1.014 366 G HN 0.475 nan 8.290 nan 0.000 0.541 386 P HA 0.219 nan 4.420 nan 0.000 0.268 386 P C -1.061 176.294 177.300 0.092 0.000 1.205 386 P CA 0.135 63.268 63.100 0.055 0.000 0.771 386 P CB 0.877 32.605 31.700 0.048 0.000 0.858 387 Q N 2.102 121.976 119.800 0.123 0.000 2.316 387 Q HA 0.422 4.754 4.340 -0.013 0.000 0.264 387 Q C -1.177 174.961 176.000 0.230 0.000 0.987 387 Q CA -0.414 55.493 55.803 0.173 0.000 0.852 387 Q CB 1.924 30.741 28.738 0.133 0.000 1.287 387 Q HN 0.501 nan 8.270 nan 0.000 0.448 388 F N 2.672 122.672 119.950 0.083 0.000 2.434 388 F HA 0.357 4.876 4.527 -0.013 0.000 0.367 388 F C -1.016 174.826 175.800 0.071 0.000 1.093 388 F CA -0.978 57.046 58.000 0.039 0.000 1.085 388 F CB 1.028 40.014 39.000 -0.024 0.000 1.322 388 F HN 0.286 nan 8.300 nan 0.000 0.452 389 V N 6.781 126.624 119.914 -0.119 0.000 2.311 389 V HA 0.739 4.852 4.120 -0.013 0.000 0.275 389 V C -0.250 175.690 176.094 -0.257 0.000 1.022 389 V CA -0.186 62.070 62.300 -0.074 0.000 0.830 389 V CB 0.854 32.623 31.823 -0.090 0.000 1.012 389 V HN 0.863 nan 8.190 nan 0.000 0.452 390 A N 4.873 127.561 122.820 -0.219 0.000 3.126 390 A HA 0.485 4.798 4.320 -0.013 0.000 0.268 390 A C 0.475 178.055 177.584 -0.007 0.000 1.605 390 A CA -0.014 51.847 52.037 -0.292 0.000 1.305 390 A CB -0.421 18.347 19.000 -0.387 0.000 1.160 390 A HN 0.999 nan 8.150 nan 0.000 0.609 391 D N 0.003 120.331 120.400 -0.120 0.000 2.463 391 D HA 0.093 4.726 4.640 -0.013 0.000 0.224 391 D C 0.287 176.194 176.300 -0.655 0.000 1.174 391 D CA -0.007 53.899 54.000 -0.157 0.000 0.829 391 D CB -0.228 40.563 40.800 -0.015 0.000 0.993 391 D HN 0.632 nan 8.370 nan 0.000 0.497 392 H N -3.464 115.109 119.070 -0.830 0.000 2.981 392 H HA 0.502 5.051 4.556 -0.013 0.000 0.327 392 H C -3.384 171.798 175.328 -0.244 0.000 1.342 392 H CA -1.976 53.572 56.048 -0.835 0.000 1.123 392 H CB 0.029 29.562 29.762 -0.383 0.000 1.851 392 H HN -0.321 nan 8.280 nan 0.000 0.531 393 P HA 0.104 nan 4.420 nan 0.000 0.268 393 P C -0.818 176.574 177.300 0.153 0.000 1.208 393 P CA 0.453 63.642 63.100 0.148 0.000 0.777 393 P CB 0.169 31.931 31.700 0.104 0.000 0.875 394 F N -0.876 119.181 119.950 0.178 0.000 2.645 394 F HA 0.605 5.124 4.527 -0.014 0.000 0.310 394 F C -1.443 174.501 175.800 0.240 0.000 1.102 394 F CA -1.514 56.572 58.000 0.142 0.000 0.952 394 F CB 0.540 39.609 39.000 0.115 0.000 1.326 394 F HN -0.051 nan 8.300 nan 0.000 0.456 395 L N 2.288 123.705 121.223 0.325 0.000 2.379 395 L HA 0.666 4.998 4.340 -0.013 0.000 0.269 395 L C -0.757 176.350 176.870 0.394 0.000 1.084 395 L CA -0.772 54.178 54.840 0.184 0.000 0.802 395 L CB 1.339 43.382 42.059 -0.027 0.000 1.175 395 L HN 0.767 nan 8.230 nan 0.000 0.448 396 F N 1.355 121.295 119.950 -0.018 0.000 2.645 396 F HA 0.832 5.352 4.527 -0.012 0.000 0.310 396 F C -1.355 174.370 175.800 -0.125 0.000 1.102 396 F CA -1.556 56.519 58.000 0.125 0.000 0.952 396 F CB 1.147 40.400 39.000 0.421 0.000 1.326 396 F HN 0.191 nan 8.300 nan 0.000 0.456 397 L N 0.267 121.591 121.223 0.168 0.000 2.424 397 L HA 0.789 5.121 4.340 -0.013 0.000 0.258 397 L C -1.496 175.621 176.870 0.412 0.000 0.995 397 L CA -1.284 53.624 54.840 0.115 0.000 0.821 397 L CB 2.021 44.115 42.059 0.059 0.000 1.383 397 L HN 0.716 nan 8.230 nan 0.000 0.410 398 I N 2.331 123.132 120.570 0.385 0.000 2.362 398 I HA 0.559 4.721 4.170 -0.013 0.000 0.289 398 I C -0.656 175.615 176.117 0.257 0.000 0.994 398 I CA -0.374 61.132 61.300 0.343 0.000 1.158 398 I CB 1.842 39.982 38.000 0.234 0.000 1.315 398 I HN 0.732 nan 8.210 nan 0.000 0.451 399 M N 6.562 126.335 119.600 0.287 0.000 2.311 399 M HA 0.308 4.780 4.480 -0.013 0.000 0.325 399 M C -0.569 175.845 176.300 0.190 0.000 1.061 399 M CA -0.295 55.151 55.300 0.242 0.000 0.957 399 M CB 1.197 34.010 32.600 0.354 0.000 1.646 399 M HN 0.406 nan 8.290 nan 0.000 0.434 400 H N 5.456 124.544 119.070 0.030 0.000 3.067 400 H HA 0.211 4.758 4.556 -0.014 0.000 0.265 400 H C 0.121 175.475 175.328 0.044 0.000 1.234 400 H CA 0.277 56.324 56.048 -0.002 0.000 1.452 400 H CB 0.796 30.496 29.762 -0.104 0.000 1.527 400 H HN 0.762 nan 8.280 nan 0.000 0.486 401 K N 4.152 124.464 120.400 -0.146 0.000 2.147 401 K HA -0.088 4.225 4.320 -0.013 0.000 0.205 401 K C 1.862 178.443 176.600 -0.032 0.000 1.049 401 K CA 0.588 56.861 56.287 -0.023 0.000 0.936 401 K CB 0.512 33.016 32.500 0.007 0.000 0.722 401 K HN 0.563 nan 8.250 nan 0.000 0.446 402 I N 1.514 122.004 120.570 -0.133 0.000 2.252 402 I HA -0.187 3.975 4.170 -0.013 0.000 0.245 402 I C 2.464 178.648 176.117 0.112 0.000 1.102 402 I CA 1.744 63.048 61.300 0.007 0.000 1.385 402 I CB -1.614 36.404 38.000 0.030 0.000 1.064 402 I HN 0.250 nan 8.210 nan 0.000 0.414 403 T N -2.235 112.469 114.554 0.250 0.000 3.054 403 T HA 0.015 4.357 4.350 -0.013 0.000 0.259 403 T C 1.064 175.830 174.700 0.111 0.000 1.092 403 T CA 0.480 62.680 62.100 0.165 0.000 1.121 403 T CB -0.268 68.688 68.868 0.148 0.000 0.912 403 T HN 0.226 nan 8.240 nan 0.000 0.489 404 N N -0.256 118.518 118.700 0.122 0.000 2.783 404 N HA -0.143 4.589 4.740 -0.013 0.000 0.247 404 N C -1.036 174.528 175.510 0.089 0.000 1.089 404 N CA 0.257 53.359 53.050 0.088 0.000 0.690 404 N CB -2.128 36.396 38.487 0.062 0.000 0.991 404 N HN 0.618 nan 8.380 nan 0.000 0.552 405 c N 0.884 119.541 118.600 0.096 0.000 2.307 405 c HA 0.539 5.101 4.570 -0.013 0.000 0.340 405 c C 1.061 175.186 174.090 0.057 0.000 1.275 405 c CA -0.926 55.438 56.329 0.059 0.000 1.811 405 c CB -0.172 42.324 42.510 -0.023 0.000 2.372 405 c HN 0.350 nan 8.230 nan 0.000 0.531 406 I N 6.317 126.941 120.570 0.090 0.000 2.436 406 I HA 0.035 4.198 4.170 -0.013 0.000 0.289 406 I C 1.066 177.208 176.117 0.042 0.000 1.083 406 I CA 0.276 61.638 61.300 0.104 0.000 1.372 406 I CB 0.720 38.810 38.000 0.151 0.000 1.408 406 I HN 0.702 nan 8.210 nan 0.000 0.516 407 L N 6.437 127.625 121.223 -0.059 0.000 2.127 407 L HA 0.121 4.453 4.340 -0.013 0.000 0.203 407 L C -0.007 176.499 176.870 -0.607 0.000 1.080 407 L CA 1.069 55.714 54.840 -0.325 0.000 0.768 407 L CB -0.077 41.726 42.059 -0.426 0.000 0.924 407 L HN 0.388 nan 8.230 nan 0.000 0.444 408 F N -2.269 117.721 119.950 0.067 0.000 2.613 408 F HA 0.504 5.024 4.527 -0.011 0.000 0.314 408 F C -0.680 175.154 175.800 0.057 0.000 1.075 408 F CA -0.856 57.140 58.000 -0.006 0.000 0.945 408 F CB 2.123 41.096 39.000 -0.044 0.000 1.310 408 F HN -0.363 nan 8.300 nan 0.000 0.467 409 F N 0.279 120.200 119.950 -0.049 0.000 2.608 409 F HA 0.795 5.314 4.527 -0.012 0.000 0.309 409 F C -0.515 175.169 175.800 -0.194 0.000 1.103 409 F CA -0.503 57.415 58.000 -0.136 0.000 0.954 409 F CB 2.173 41.100 39.000 -0.122 0.000 1.267 409 F HN 0.605 nan 8.300 nan 0.000 0.444 410 G N 3.742 112.176 108.800 -0.610 0.000 2.623 410 G HA2 0.514 4.466 3.960 -0.013 0.000 0.290 410 G HA3 0.514 4.466 3.960 -0.013 0.000 0.290 410 G C -2.334 172.447 174.900 -0.198 0.000 1.437 410 G CA -1.068 43.900 45.100 -0.219 0.000 0.798 410 G HN 0.727 nan 8.290 nan 0.000 0.488 411 R N 0.184 120.829 120.500 0.241 0.000 2.439 411 R HA 0.535 4.868 4.340 -0.013 0.000 0.310 411 R C -1.767 174.663 176.300 0.215 0.000 0.955 411 R CA -0.802 55.444 56.100 0.245 0.000 0.853 411 R CB 1.253 31.744 30.300 0.318 0.000 1.171 411 R HN 0.361 nan 8.270 nan 0.000 0.449 412 F N 4.413 124.268 119.950 -0.159 0.000 2.332 412 F HA 0.219 4.738 4.527 -0.013 0.000 0.368 412 F C 0.342 175.902 175.800 -0.400 0.000 1.110 412 F CA -0.163 57.540 58.000 -0.495 0.000 1.087 412 F CB 1.385 39.660 39.000 -1.208 0.000 1.235 412 F HN 0.623 nan 8.300 nan 0.000 0.470 413 S N 1.205 116.453 115.700 -0.753 0.000 2.619 413 S HA 0.282 4.745 4.470 -0.013 0.000 0.238 413 S C 0.024 174.347 174.600 -0.461 0.000 1.068 413 S CA -0.094 57.877 58.200 -0.383 0.000 0.926 413 S CB 0.189 63.306 63.200 -0.139 0.000 0.864 413 S HN 0.335 nan 8.310 nan 0.000 0.493 414 S N 3.503 118.723 115.700 -0.800 0.000 2.652 414 S HA 0.568 5.031 4.470 -0.013 0.000 0.252 414 S C -2.802 171.459 174.600 -0.565 0.000 1.219 414 S CA -0.843 57.053 58.200 -0.507 0.000 1.151 414 S CB 1.510 64.563 63.200 -0.245 0.000 1.080 414 S HN 0.237 nan 8.310 nan 0.000 0.481 415 P HA 0.000 nan 4.420 nan 0.000 0.216 415 P CA 0.000 62.966 63.100 -0.223 0.000 0.800 415 P CB 0.000 31.610 31.700 -0.149 0.000 0.726