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 3f5j_1_A DATA FIRST_RESID 5 DATA SEQUENCE NWLGGLSRAA FPKRFVFGTV TSAYQVEGMA ASGGRGPSIW DAFAHTPGNV DATA SEQUENCE AGNQNGDVAT DQYHRYKEDV NLMKSLNFDA YRFSISWSRI FPDGEGRVNQ DATA SEQUENCE EGVAYYNNLI NYLLQKGITP YVNLYHYDLP LALEKKYGGW LNAKMADLFT DATA SEQUENCE EYADFCFKTF GNRVKHWFTF NQPRIVALLG YDQGTNPPKR CTKCAAGGNS DATA SEQUENCE ATEPYIVAHN FLLSHAAAVA RYRTKYQAAQ QGKVGIVLDF NWYEALSNST DATA SEQUENCE EDQAAAQRAR DFHIGWYLDP LINGHYPQIM QDLVKDRLPK FTPEQARLVK DATA SEQUENCE GSADYIGINQ YTASYMKGQQ LMQQTPTSYS ADWQVTYVFA KNGKPIGPQA DATA SEQUENCE NSNWLYIVPW GMYGCVNYIK QKYGNPTVVI TENGMDQPAN LSRDQYLRDT DATA SEQUENCE TRVHFYRSYL TQLKKAIDEG ANVAGYFAWS LLDNFEWLSG YTSKFGIVYV DATA SEQUENCE DFNTLERHPK ASAYWFRDML KH 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.678 175.510 0.279 0.000 1.280 5 N CA 0.000 53.151 53.050 0.168 0.000 0.885 5 N CB 0.000 38.569 38.487 0.136 0.000 1.341 6 W N 3.955 125.308 121.300 0.089 0.000 2.519 6 W HA 0.147 4.788 4.660 -0.032 0.000 0.266 6 W C 0.575 177.309 176.519 0.359 0.000 1.253 6 W CA 0.460 57.917 57.345 0.186 0.000 1.274 6 W CB -0.999 28.576 29.460 0.193 0.000 1.114 6 W HN 0.486 nan 8.180 nan 0.000 0.596 7 L N 1.873 123.203 121.223 0.178 0.000 2.376 7 L HA 0.135 4.456 4.340 -0.031 0.000 0.219 7 L C 1.970 178.923 176.870 0.138 0.000 1.133 7 L CA 1.091 55.914 54.840 -0.028 0.000 0.816 7 L CB -1.438 40.481 42.059 -0.233 0.000 0.933 7 L HN 0.209 nan 8.230 nan 0.000 0.449 8 G N 0.429 109.323 108.800 0.155 0.000 2.305 8 G HA2 -0.216 3.726 3.960 -0.031 0.000 0.287 8 G HA3 -0.216 3.726 3.960 -0.031 0.000 0.287 8 G C 0.994 175.936 174.900 0.069 0.000 1.036 8 G CA 0.512 45.683 45.100 0.119 0.000 0.887 8 G HN 0.715 nan 8.290 nan 0.000 0.505 9 G N -2.105 106.718 108.800 0.038 0.000 2.179 9 G HA2 -0.237 3.705 3.960 -0.031 0.000 0.260 9 G HA3 -0.237 3.705 3.960 -0.031 0.000 0.260 9 G C 0.463 175.350 174.900 -0.021 0.000 0.977 9 G CA 0.577 45.677 45.100 0.001 0.000 0.641 9 G HN 1.339 nan 8.290 nan 0.000 0.533 10 L N 1.177 122.391 121.223 -0.014 0.000 2.350 10 L HA 0.690 5.011 4.340 -0.031 0.000 0.275 10 L C 0.851 177.651 176.870 -0.117 0.000 1.099 10 L CA 0.253 55.083 54.840 -0.017 0.000 0.808 10 L CB 1.602 43.707 42.059 0.077 0.000 1.149 10 L HN 0.613 nan 8.230 nan 0.000 0.442 11 S N 1.245 116.912 115.700 -0.056 0.000 2.655 11 S HA 0.351 4.803 4.470 -0.031 0.000 0.266 11 S C 0.285 174.889 174.600 0.006 0.000 1.149 11 S CA -1.039 57.084 58.200 -0.128 0.000 0.818 11 S CB 1.415 64.552 63.200 -0.105 0.000 1.130 11 S HN 0.562 nan 8.310 nan 0.000 0.476 12 R N 0.155 120.615 120.500 -0.066 0.000 2.120 12 R HA -0.022 4.300 4.340 -0.031 0.000 0.234 12 R C 2.410 178.800 176.300 0.151 0.000 1.123 12 R CA 1.489 57.632 56.100 0.072 0.000 0.975 12 R CB -0.870 29.420 30.300 -0.016 0.000 0.866 12 R HN 0.768 nan 8.270 nan 0.000 0.446 13 A N 0.893 123.750 122.820 0.061 0.000 2.070 13 A HA -0.085 4.216 4.320 -0.031 0.000 0.220 13 A C 2.147 179.740 177.584 0.014 0.000 1.159 13 A CA 1.597 53.658 52.037 0.040 0.000 0.656 13 A CB -0.330 18.672 19.000 0.004 0.000 0.800 13 A HN 0.387 nan 8.150 nan 0.000 0.453 14 A N -1.880 120.942 122.820 0.004 0.000 2.208 14 A HA 0.466 4.768 4.320 -0.031 0.000 0.209 14 A C 0.375 177.692 177.584 -0.445 0.000 1.161 14 A CA 0.127 52.051 52.037 -0.188 0.000 0.782 14 A CB -0.237 18.623 19.000 -0.234 0.000 0.816 14 A HN 0.339 nan 8.150 nan 0.000 0.477 15 F N -0.917 118.986 119.950 -0.078 0.000 2.575 15 F HA 0.523 5.032 4.527 -0.030 0.000 0.330 15 F C -2.267 173.486 175.800 -0.078 0.000 1.056 15 F CA -2.700 55.187 58.000 -0.190 0.000 0.964 15 F CB 0.817 39.614 39.000 -0.337 0.000 1.258 15 F HN -0.194 nan 8.300 nan 0.000 0.484 16 P HA 0.034 nan 4.420 nan 0.000 0.267 16 P C -1.137 176.296 177.300 0.223 0.000 1.200 16 P CA -0.329 62.868 63.100 0.162 0.000 0.772 16 P CB 0.352 32.181 31.700 0.216 0.000 0.855 17 K N 3.298 123.797 120.400 0.165 0.000 2.524 17 K HA 0.016 4.317 4.320 -0.031 0.000 0.279 17 K C 0.879 177.591 176.600 0.187 0.000 0.993 17 K CA 0.456 56.838 56.287 0.158 0.000 1.030 17 K CB -0.116 32.453 32.500 0.114 0.000 0.891 17 K HN 0.321 nan 8.250 nan 0.000 0.488 18 R N 0.134 120.746 120.500 0.186 0.000 3.994 18 R HA -0.224 4.097 4.340 -0.031 0.000 0.403 18 R C -0.113 176.296 176.300 0.181 0.000 1.126 18 R CA 0.517 56.718 56.100 0.168 0.000 1.143 18 R CB -2.893 27.486 30.300 0.131 0.000 1.695 18 R HN 0.638 nan 8.270 nan 0.000 0.555 19 F N 1.242 121.232 119.950 0.068 0.000 2.607 19 F HA 0.112 4.621 4.527 -0.031 0.000 0.374 19 F C 0.850 176.577 175.800 -0.120 0.000 1.104 19 F CA 0.167 58.149 58.000 -0.030 0.000 1.296 19 F CB 0.676 39.663 39.000 -0.022 0.000 1.085 19 F HN -0.166 nan 8.300 nan 0.000 0.584 20 V N 7.471 126.992 119.914 -0.655 0.000 2.407 20 V HA 0.216 4.318 4.120 -0.031 0.000 0.278 20 V C -0.380 175.225 176.094 -0.815 0.000 1.037 20 V CA -0.466 61.515 62.300 -0.530 0.000 0.900 20 V CB 0.751 32.290 31.823 -0.474 0.000 0.983 20 V HN 0.510 nan 8.190 nan 0.000 0.459 21 F N 2.893 122.642 119.950 -0.334 0.000 2.458 21 F HA 0.823 5.331 4.527 -0.031 0.000 0.336 21 F C 0.756 176.326 175.800 -0.383 0.000 1.114 21 F CA -0.119 57.707 58.000 -0.290 0.000 0.987 21 F CB 2.143 41.103 39.000 -0.067 0.000 1.130 21 F HN 0.642 nan 8.300 nan 0.000 0.458 22 G N 0.508 108.960 108.800 -0.580 0.000 2.788 22 G HA2 0.653 4.594 3.960 -0.031 0.000 0.293 22 G HA3 0.653 4.594 3.960 -0.031 0.000 0.293 22 G C -1.261 173.284 174.900 -0.592 0.000 1.392 22 G CA -0.725 44.009 45.100 -0.610 0.000 0.810 22 G HN 0.624 nan 8.290 nan 0.000 0.508 23 T N -3.019 111.272 114.554 -0.439 0.000 2.907 23 T HA 0.777 5.108 4.350 -0.031 0.000 0.290 23 T C -0.973 173.782 174.700 0.092 0.000 1.066 23 T CA -0.767 61.111 62.100 -0.370 0.000 1.012 23 T CB 1.801 70.261 68.868 -0.680 0.000 1.184 23 T HN 0.894 nan 8.240 nan 0.000 0.522 24 V N 1.444 121.345 119.914 -0.021 0.000 2.789 24 V HA 0.821 4.922 4.120 -0.031 0.000 0.311 24 V C 0.272 176.221 176.094 -0.242 0.000 1.073 24 V CA -0.670 61.619 62.300 -0.018 0.000 0.921 24 V CB 1.692 33.621 31.823 0.177 0.000 1.009 24 V HN 1.411 nan 8.190 nan 0.000 0.426 25 T N -0.240 114.221 114.554 -0.156 0.000 2.742 25 T HA 0.873 5.204 4.350 -0.031 0.000 0.282 25 T C -0.307 174.426 174.700 0.055 0.000 1.025 25 T CA -0.322 61.660 62.100 -0.198 0.000 1.020 25 T CB 1.999 70.842 68.868 -0.041 0.000 1.317 25 T HN 1.146 nan 8.240 nan 0.000 0.538 26 S N -0.873 114.847 115.700 0.035 0.000 2.595 26 S HA 0.742 5.193 4.470 -0.031 0.000 0.281 26 S C 1.325 175.939 174.600 0.023 0.000 1.117 26 S CA -0.351 57.780 58.200 -0.115 0.000 0.873 26 S CB 1.309 63.994 63.200 -0.859 0.000 1.108 26 S HN 1.329 nan 8.310 nan 0.000 0.477 27 A N 1.329 124.229 122.820 0.134 0.000 1.851 27 A HA -0.040 4.261 4.320 -0.031 0.000 0.216 27 A C 1.878 179.567 177.584 0.174 0.000 1.195 27 A CA 1.920 54.101 52.037 0.240 0.000 0.622 27 A CB -1.681 17.534 19.000 0.358 0.000 0.831 27 A HN 1.117 nan 8.150 nan 0.000 0.444 28 Y N 0.772 121.124 120.300 0.087 0.000 2.274 28 Y HA -0.206 4.326 4.550 -0.029 0.000 0.290 28 Y C 2.517 178.363 175.900 -0.090 0.000 1.145 28 Y CA 2.146 60.268 58.100 0.037 0.000 1.203 28 Y CB -0.301 38.243 38.460 0.139 0.000 0.984 28 Y HN 0.480 nan 8.280 nan 0.000 0.533 29 Q N -1.175 118.535 119.800 -0.149 0.000 2.230 29 Q HA -0.075 4.247 4.340 -0.031 0.000 0.202 29 Q C 1.945 177.894 176.000 -0.086 0.000 0.963 29 Q CA 1.803 57.479 55.803 -0.211 0.000 0.866 29 Q CB 0.096 28.683 28.738 -0.252 0.000 0.931 29 Q HN 0.556 nan 8.270 nan 0.000 0.452 30 V N -4.692 115.195 119.914 -0.046 0.000 3.431 30 V HA 0.128 4.229 4.120 -0.031 0.000 0.255 30 V C 1.482 177.584 176.094 0.012 0.000 1.403 30 V CA 0.056 62.365 62.300 0.015 0.000 1.101 30 V CB 0.162 32.008 31.823 0.038 0.000 0.891 30 V HN 0.022 nan 8.190 nan 0.000 0.446 31 E N 1.832 122.033 120.200 0.001 0.000 2.047 31 E HA 0.287 4.618 4.350 -0.031 0.000 0.191 31 E C 1.541 178.098 176.600 -0.071 0.000 0.987 31 E CA 1.264 57.666 56.400 0.003 0.000 0.799 31 E CB -0.324 29.389 29.700 0.021 0.000 0.752 31 E HN 0.909 nan 8.360 nan 0.000 0.449 32 G N 0.953 109.670 108.800 -0.137 0.000 2.598 32 G HA2 -0.320 3.621 3.960 -0.031 0.000 0.244 32 G HA3 -0.320 3.621 3.960 -0.031 0.000 0.244 32 G C 0.182 174.935 174.900 -0.244 0.000 1.302 32 G CA -0.144 44.853 45.100 -0.171 0.000 0.903 32 G HN 0.170 nan 8.290 nan 0.000 0.575 33 M N -1.646 117.779 119.600 -0.291 0.000 2.210 33 M HA -0.271 4.191 4.480 -0.031 0.000 0.198 33 M C 1.850 177.985 176.300 -0.275 0.000 0.319 33 M CA 1.498 56.555 55.300 -0.406 0.000 0.399 33 M CB -2.523 29.522 32.600 -0.925 0.000 1.227 33 M HN 2.037 nan 8.290 nan 0.000 0.931 34 A N -0.468 122.276 122.820 -0.127 0.000 2.015 34 A HA 0.267 4.568 4.320 -0.031 0.000 0.219 34 A C 1.715 179.302 177.584 0.005 0.000 1.163 34 A CA 1.827 53.864 52.037 0.001 0.000 0.646 34 A CB 0.010 19.082 19.000 0.121 0.000 0.806 34 A HN 0.979 nan 8.150 nan 0.000 0.448 35 A N -0.932 121.865 122.820 -0.038 0.000 2.616 35 A HA 0.634 4.935 4.320 -0.031 0.000 0.294 35 A C 0.281 177.825 177.584 -0.067 0.000 1.091 35 A CA 0.168 52.184 52.037 -0.035 0.000 0.971 35 A CB 0.169 19.154 19.000 -0.025 0.000 1.222 35 A HN 0.225 nan 8.150 nan 0.000 0.521 36 S N -2.059 113.565 115.700 -0.127 0.000 2.732 36 S HA 0.668 5.119 4.470 -0.031 0.000 0.293 36 S C 0.926 175.402 174.600 -0.207 0.000 1.159 36 S CA 0.016 58.127 58.200 -0.147 0.000 0.847 36 S CB 1.368 64.465 63.200 -0.172 0.000 1.169 36 S HN 1.602 nan 8.310 nan 0.000 0.501 37 G N -0.043 108.662 108.800 -0.159 0.000 2.187 37 G HA2 0.021 3.963 3.960 -0.031 0.000 0.261 37 G HA3 0.021 3.963 3.960 -0.031 0.000 0.261 37 G C 1.112 175.994 174.900 -0.029 0.000 1.000 37 G CA 0.853 45.886 45.100 -0.113 0.000 0.718 37 G HN 2.111 nan 8.290 nan 0.000 0.519 38 G N -1.177 107.610 108.800 -0.023 0.000 2.179 38 G HA2 -0.291 3.651 3.960 -0.031 0.000 0.260 38 G HA3 -0.291 3.651 3.960 -0.031 0.000 0.260 38 G C 0.457 175.369 174.900 0.020 0.000 0.977 38 G CA 1.211 46.317 45.100 0.010 0.000 0.641 38 G HN 1.390 nan 8.290 nan 0.000 0.533 39 R N 0.984 121.485 120.500 0.002 0.000 2.489 39 R HA 0.455 4.776 4.340 -0.031 0.000 0.287 39 R C 1.100 177.423 176.300 0.039 0.000 1.053 39 R CA 0.555 56.679 56.100 0.040 0.000 1.036 39 R CB 0.001 30.314 30.300 0.023 0.000 0.966 39 R HN 0.341 nan 8.270 nan 0.000 0.432 40 G N 4.530 113.366 108.800 0.060 0.000 2.504 40 G HA2 0.342 4.283 3.960 -0.031 0.000 0.288 40 G HA3 0.342 4.283 3.960 -0.031 0.000 0.288 40 G C -2.382 172.548 174.900 0.049 0.000 1.182 40 G CA -1.310 43.815 45.100 0.041 0.000 0.894 40 G HN 0.553 nan 8.290 nan 0.000 0.521 41 P HA 0.150 nan 4.420 nan 0.000 0.271 41 P C 0.083 177.405 177.300 0.036 0.000 1.218 41 P CA -0.111 63.011 63.100 0.037 0.000 0.780 41 P CB 1.430 33.132 31.700 0.004 0.000 0.901 42 S N 1.804 117.541 115.700 0.061 0.000 2.745 42 S HA 0.315 4.766 4.470 -0.031 0.000 0.292 42 S C 1.655 176.278 174.600 0.039 0.000 1.133 42 S CA -0.785 57.450 58.200 0.057 0.000 0.998 42 S CB 0.363 63.627 63.200 0.107 0.000 1.087 42 S HN 0.505 nan 8.310 nan 0.000 0.551 43 I N -2.752 117.840 120.570 0.038 0.000 2.423 43 I HA -0.026 4.125 4.170 -0.031 0.000 0.254 43 I C 1.711 177.780 176.117 -0.080 0.000 1.151 43 I CA 1.084 62.369 61.300 -0.024 0.000 1.421 43 I CB -0.439 37.533 38.000 -0.047 0.000 1.079 43 I HN 0.634 nan 8.210 nan 0.000 0.431 44 W N 2.292 123.539 121.300 -0.088 0.000 2.436 44 W HA -0.067 4.574 4.660 -0.031 0.000 0.284 44 W C 2.026 178.481 176.519 -0.107 0.000 1.225 44 W CA 1.544 58.803 57.345 -0.144 0.000 1.271 44 W CB -0.229 29.017 29.460 -0.357 0.000 1.114 44 W HN 0.197 nan 8.180 nan 0.000 0.559 45 D N -0.137 120.298 120.400 0.059 0.000 2.097 45 D HA -0.213 4.408 4.640 -0.031 0.000 0.195 45 D C 2.274 178.735 176.300 0.268 0.000 0.989 45 D CA 2.081 56.227 54.000 0.245 0.000 0.827 45 D CB -0.684 40.219 40.800 0.171 0.000 0.966 45 D HN 0.067 nan 8.370 nan 0.000 0.456 46 A N 0.276 123.173 122.820 0.129 0.000 1.858 46 A HA -0.169 4.133 4.320 -0.031 0.000 0.216 46 A C 2.061 179.720 177.584 0.126 0.000 1.190 46 A CA 1.149 53.241 52.037 0.092 0.000 0.617 46 A CB -1.126 17.891 19.000 0.029 0.000 0.827 46 A HN 0.317 nan 8.150 nan 0.000 0.443 47 F N 0.962 120.861 119.950 -0.084 0.000 2.095 47 F HA -0.101 4.407 4.527 -0.032 0.000 0.298 47 F C 2.475 178.270 175.800 -0.008 0.000 1.104 47 F CA 1.591 59.494 58.000 -0.161 0.000 1.232 47 F CB -0.299 38.403 39.000 -0.496 0.000 0.987 47 F HN 0.235 nan 8.300 nan 0.000 0.475 48 A N -1.080 121.946 122.820 0.343 0.000 2.015 48 A HA -0.177 4.125 4.320 -0.031 0.000 0.219 48 A C 1.886 179.526 177.584 0.094 0.000 1.163 48 A CA 1.452 53.695 52.037 0.344 0.000 0.646 48 A CB -1.147 18.191 19.000 0.563 0.000 0.806 48 A HN 0.633 nan 8.150 nan 0.000 0.448 49 H N -0.422 118.702 119.070 0.090 0.000 2.547 49 H HA 0.047 4.584 4.556 -0.032 0.000 0.266 49 H C -0.162 175.159 175.328 -0.012 0.000 0.988 49 H CA 0.781 56.858 56.048 0.048 0.000 1.147 49 H CB 0.098 29.891 29.762 0.053 0.000 1.365 49 H HN 0.281 nan 8.280 nan 0.000 0.589 50 T N 3.792 118.346 114.554 0.000 0.000 2.749 50 T HA 0.167 4.498 4.350 -0.031 0.000 0.295 50 T C -2.322 172.318 174.700 -0.100 0.000 0.936 50 T CA -1.345 60.712 62.100 -0.073 0.000 1.060 50 T CB 1.467 70.240 68.868 -0.158 0.000 0.904 50 T HN 0.076 nan 8.240 nan 0.000 0.500 51 P HA 0.151 nan 4.420 nan 0.000 0.261 51 P C 1.100 178.355 177.300 -0.075 0.000 1.173 51 P CA 1.035 64.107 63.100 -0.047 0.000 0.760 51 P CB 0.261 31.946 31.700 -0.025 0.000 0.783 52 G N 3.170 111.932 108.800 -0.062 0.000 2.234 52 G HA2 -0.282 3.659 3.960 -0.031 0.000 0.235 52 G HA3 -0.282 3.659 3.960 -0.031 0.000 0.235 52 G C 1.301 176.142 174.900 -0.099 0.000 0.997 52 G CA 0.107 45.169 45.100 -0.064 0.000 0.623 52 G HN 0.463 nan 8.290 nan 0.000 0.514 53 N N -0.003 118.575 118.700 -0.203 0.000 2.216 53 N HA 0.143 4.864 4.740 -0.031 0.000 0.183 53 N C 0.817 176.280 175.510 -0.079 0.000 1.017 53 N CA 1.517 54.344 53.050 -0.372 0.000 0.861 53 N CB 0.165 37.999 38.487 -1.088 0.000 0.986 53 N HN 0.448 nan 8.380 nan 0.000 0.428 54 V N 0.659 120.596 119.914 0.038 0.000 2.680 54 V HA 0.572 4.673 4.120 -0.031 0.000 0.309 54 V C -0.166 176.001 176.094 0.122 0.000 1.052 54 V CA -1.620 60.798 62.300 0.197 0.000 0.908 54 V CB 1.576 33.633 31.823 0.389 0.000 1.001 54 V HN 0.185 nan 8.190 nan 0.000 0.431 55 A N 2.946 125.829 122.820 0.105 0.000 2.591 55 A HA 0.411 4.712 4.320 -0.031 0.000 0.244 55 A C 1.566 179.201 177.584 0.084 0.000 1.031 55 A CA 0.927 53.007 52.037 0.072 0.000 0.767 55 A CB -0.803 18.224 19.000 0.045 0.000 0.942 55 A HN 2.404 nan 8.150 nan 0.000 0.514 56 G N 2.458 111.299 108.800 0.069 0.000 2.187 56 G HA2 -0.298 3.643 3.960 -0.031 0.000 0.261 56 G HA3 -0.298 3.643 3.960 -0.031 0.000 0.261 56 G C 0.394 175.339 174.900 0.074 0.000 1.000 56 G CA 0.674 45.817 45.100 0.071 0.000 0.718 56 G HN 1.698 nan 8.290 nan 0.000 0.519 57 N N -1.169 117.572 118.700 0.068 0.000 2.721 57 N HA -0.154 4.567 4.740 -0.031 0.000 0.249 57 N C 0.560 176.119 175.510 0.082 0.000 1.072 57 N CA 1.869 54.952 53.050 0.056 0.000 0.710 57 N CB -0.531 37.970 38.487 0.024 0.000 0.993 57 N HN 0.762 nan 8.380 nan 0.000 0.547 58 Q N 0.363 120.264 119.800 0.168 0.000 2.256 58 Q HA 0.517 4.839 4.340 -0.031 0.000 0.232 58 Q C 0.896 177.074 176.000 0.297 0.000 0.965 58 Q CA -0.179 55.775 55.803 0.252 0.000 0.908 58 Q CB 1.248 30.224 28.738 0.397 0.000 1.209 58 Q HN 0.655 nan 8.270 nan 0.000 0.489 59 N N -3.035 115.772 118.700 0.178 0.000 3.204 59 N HA 0.433 5.155 4.740 -0.031 0.000 0.285 59 N C -0.179 175.033 175.510 -0.497 0.000 1.536 59 N CA -0.654 52.311 53.050 -0.142 0.000 0.832 59 N CB 0.349 38.702 38.487 -0.224 0.000 1.645 59 N HN 0.424 nan 8.380 nan 0.000 0.586 60 G N -1.372 106.942 108.800 -0.810 0.000 3.523 60 G HA2 0.075 4.017 3.960 -0.031 0.000 0.270 60 G HA3 0.075 4.017 3.960 -0.031 0.000 0.270 60 G C -0.147 174.467 174.900 -0.476 0.000 1.134 60 G CA -0.210 44.290 45.100 -1.000 0.000 0.825 60 G HN 0.541 nan 8.290 nan 0.000 0.534 61 D N 0.471 120.776 120.400 -0.157 0.000 2.133 61 D HA -0.139 4.483 4.640 -0.031 0.000 0.192 61 D C 2.412 178.658 176.300 -0.089 0.000 1.001 61 D CA 1.198 55.179 54.000 -0.032 0.000 0.844 61 D CB 0.236 41.071 40.800 0.059 0.000 0.944 61 D HN 0.282 nan 8.370 nan 0.000 0.447 62 V N -0.570 119.293 119.914 -0.085 0.000 3.013 62 V HA 0.331 4.432 4.120 -0.031 0.000 0.238 62 V C 1.336 177.403 176.094 -0.046 0.000 1.161 62 V CA 0.656 62.917 62.300 -0.065 0.000 1.170 62 V CB -0.105 31.695 31.823 -0.037 0.000 0.917 62 V HN 0.356 nan 8.190 nan 0.000 0.478 63 A N 1.462 124.279 122.820 -0.005 0.000 5.391 63 A HA -0.430 3.872 4.320 -0.031 0.000 0.315 63 A C 1.749 179.479 177.584 0.242 0.000 1.874 63 A CA 2.751 54.879 52.037 0.152 0.000 0.714 63 A CB -2.165 16.830 19.000 -0.009 0.000 1.335 63 A HN 1.111 nan 8.150 nan 0.000 0.382 64 T N -2.638 112.038 114.554 0.203 0.000 3.107 64 T HA 0.373 4.704 4.350 -0.031 0.000 0.249 64 T C 0.538 175.244 174.700 0.010 0.000 1.096 64 T CA 1.587 63.747 62.100 0.100 0.000 1.012 64 T CB -0.032 68.860 68.868 0.040 0.000 0.977 64 T HN 1.989 nan 8.240 nan 0.000 0.527 65 D N 0.975 121.384 120.400 0.015 0.000 2.772 65 D HA -0.209 4.412 4.640 -0.031 0.000 0.233 65 D C 0.684 177.004 176.300 0.033 0.000 1.143 65 D CA 0.984 54.987 54.000 0.006 0.000 0.700 65 D CB -1.623 39.196 40.800 0.031 0.000 1.076 65 D HN 0.746 nan 8.370 nan 0.000 0.430 66 Q N -1.172 118.653 119.800 0.043 0.000 2.291 66 Q HA -0.189 4.132 4.340 -0.031 0.000 0.205 66 Q C 1.834 177.925 176.000 0.151 0.000 0.970 66 Q CA 1.005 56.861 55.803 0.090 0.000 0.876 66 Q CB -0.158 28.645 28.738 0.108 0.000 0.935 66 Q HN 0.698 nan 8.270 nan 0.000 0.455 67 Y N 0.254 120.476 120.300 -0.129 0.000 2.139 67 Y HA -0.321 4.207 4.550 -0.038 0.000 0.282 67 Y C 1.400 177.276 175.900 -0.039 0.000 1.179 67 Y CA 2.552 60.436 58.100 -0.361 0.000 1.161 67 Y CB -0.046 38.008 38.460 -0.678 0.000 0.970 67 Y HN 0.363 nan 8.280 nan 0.000 0.511 68 H N -2.030 117.151 119.070 0.185 0.000 2.582 68 H HA 0.233 4.785 4.556 -0.006 0.000 0.269 68 H C 1.283 176.614 175.328 0.005 0.000 0.962 68 H CA 0.242 56.357 56.048 0.112 0.000 1.230 68 H CB 0.327 30.140 29.762 0.085 0.000 1.445 68 H HN 0.135 nan 8.280 nan 0.000 0.528 69 R N 0.747 121.313 120.500 0.110 0.000 2.509 69 R HA 0.035 4.356 4.340 -0.031 0.000 0.300 69 R C 0.683 176.912 176.300 -0.118 0.000 0.985 69 R CA -0.125 55.946 56.100 -0.048 0.000 1.092 69 R CB 0.154 30.433 30.300 -0.035 0.000 1.237 69 R HN 0.461 nan 8.270 nan 0.000 0.546 70 Y N 0.462 120.712 120.300 -0.083 0.000 2.256 70 Y HA -0.058 4.474 4.550 -0.031 0.000 0.288 70 Y C 1.499 177.294 175.900 -0.176 0.000 1.155 70 Y CA 0.788 58.820 58.100 -0.114 0.000 1.203 70 Y CB -0.259 38.138 38.460 -0.105 0.000 0.980 70 Y HN -0.200 nan 8.280 nan 0.000 0.530 71 K N 0.578 120.451 120.400 -0.878 0.000 2.097 71 K HA -0.189 4.112 4.320 -0.031 0.000 0.205 71 K C 2.128 178.552 176.600 -0.293 0.000 1.050 71 K CA 1.442 57.268 56.287 -0.769 0.000 0.938 71 K CB -0.216 31.577 32.500 -1.179 0.000 0.718 71 K HN 0.559 nan 8.250 nan 0.000 0.442 72 E N 1.367 121.408 120.200 -0.265 0.000 2.058 72 E HA -0.236 4.096 4.350 -0.031 0.000 0.194 72 E C 1.204 177.736 176.600 -0.113 0.000 0.997 72 E CA 1.640 57.949 56.400 -0.152 0.000 0.801 72 E CB 0.110 29.722 29.700 -0.148 0.000 0.746 72 E HN 0.187 nan 8.360 nan 0.000 0.450 73 D N -0.055 120.270 120.400 -0.125 0.000 2.144 73 D HA -0.119 4.502 4.640 -0.031 0.000 0.200 73 D C 2.064 178.263 176.300 -0.169 0.000 0.978 73 D CA 0.824 54.738 54.000 -0.145 0.000 0.833 73 D CB -0.121 40.593 40.800 -0.145 0.000 0.961 73 D HN 0.111 nan 8.370 nan 0.000 0.470 74 V N 1.538 121.393 119.914 -0.098 0.000 2.358 74 V HA -0.220 3.882 4.120 -0.031 0.000 0.246 74 V C 1.984 178.079 176.094 0.002 0.000 1.047 74 V CA 1.394 63.669 62.300 -0.042 0.000 1.035 74 V CB -0.504 31.428 31.823 0.182 0.000 0.658 74 V HN 0.123 nan 8.190 nan 0.000 0.452 75 N N 0.233 118.972 118.700 0.064 0.000 2.094 75 N HA -0.174 4.548 4.740 -0.031 0.000 0.191 75 N C 1.606 177.114 175.510 -0.003 0.000 1.023 75 N CA 1.335 54.407 53.050 0.036 0.000 0.857 75 N CB -0.577 37.935 38.487 0.042 0.000 1.013 75 N HN 0.354 nan 8.380 nan 0.000 0.426 76 L N 1.522 122.725 121.223 -0.033 0.000 2.027 76 L HA -0.022 4.299 4.340 -0.031 0.000 0.206 76 L C 2.239 179.103 176.870 -0.011 0.000 1.074 76 L CA 1.407 56.226 54.840 -0.035 0.000 0.745 76 L CB -0.764 41.252 42.059 -0.071 0.000 0.898 76 L HN 0.270 nan 8.230 nan 0.000 0.433 77 M N -1.759 117.811 119.600 -0.049 0.000 2.159 77 M HA -0.205 4.256 4.480 -0.031 0.000 0.263 77 M C 2.250 178.627 176.300 0.128 0.000 1.063 77 M CA 2.029 57.343 55.300 0.022 0.000 1.110 77 M CB -0.849 31.653 32.600 -0.163 0.000 1.374 77 M HN 0.166 nan 8.290 nan 0.000 0.411 78 K N 1.307 121.734 120.400 0.046 0.000 2.057 78 K HA -0.137 4.165 4.320 -0.031 0.000 0.207 78 K C 2.225 178.855 176.600 0.051 0.000 1.049 78 K CA 1.952 58.268 56.287 0.048 0.000 0.931 78 K CB -0.159 32.341 32.500 -0.001 0.000 0.714 78 K HN 0.584 nan 8.250 nan 0.000 0.440 79 S N 0.565 116.289 115.700 0.040 0.000 2.442 79 S HA -0.099 4.352 4.470 -0.031 0.000 0.236 79 S C 1.654 176.279 174.600 0.042 0.000 1.007 79 S CA 0.825 59.049 58.200 0.041 0.000 0.965 79 S CB -0.295 62.929 63.200 0.040 0.000 0.773 79 S HN 0.355 nan 8.310 nan 0.000 0.504 80 L N 0.996 122.252 121.223 0.056 0.000 2.611 80 L HA 0.281 4.602 4.340 -0.031 0.000 0.229 80 L C 0.229 176.974 176.870 -0.208 0.000 1.137 80 L CA -0.173 54.671 54.840 0.006 0.000 0.901 80 L CB -0.648 41.520 42.059 0.181 0.000 1.098 80 L HN 0.224 nan 8.230 nan 0.000 0.456 81 N N -0.869 117.770 118.700 -0.101 0.000 2.782 81 N HA -0.201 4.520 4.740 -0.031 0.000 0.251 81 N C -0.203 175.166 175.510 -0.234 0.000 1.101 81 N CA 0.841 53.814 53.050 -0.128 0.000 0.764 81 N CB -1.635 36.716 38.487 -0.227 0.000 1.122 81 N HN 0.197 nan 8.380 nan 0.000 0.561 82 F N 1.079 121.013 119.950 -0.026 0.000 2.410 82 F HA 0.141 4.649 4.527 -0.031 0.000 0.334 82 F C 1.946 177.758 175.800 0.020 0.000 1.134 82 F CA -0.139 57.834 58.000 -0.046 0.000 1.227 82 F CB 0.586 39.521 39.000 -0.109 0.000 1.194 82 F HN -0.123 nan 8.300 nan 0.000 0.571 83 D N 0.872 121.398 120.400 0.210 0.000 2.366 83 D HA 0.257 4.878 4.640 -0.031 0.000 0.205 83 D C 0.244 176.613 176.300 0.115 0.000 1.022 83 D CA 0.530 54.619 54.000 0.149 0.000 0.868 83 D CB 0.528 41.393 40.800 0.109 0.000 0.953 83 D HN 0.409 nan 8.370 nan 0.000 0.514 84 A N 0.010 122.885 122.820 0.091 0.000 2.609 84 A HA 0.542 4.843 4.320 -0.031 0.000 0.291 84 A C -2.120 175.629 177.584 0.275 0.000 1.096 84 A CA -0.637 51.490 52.037 0.149 0.000 0.684 84 A CB 1.914 20.898 19.000 -0.027 0.000 1.282 84 A HN 0.012 nan 8.150 nan 0.000 0.412 85 Y N 0.740 121.204 120.300 0.274 0.000 2.354 85 Y HA 0.592 5.123 4.550 -0.031 0.000 0.330 85 Y C -0.262 175.862 175.900 0.373 0.000 1.011 85 Y CA -0.792 57.476 58.100 0.280 0.000 1.099 85 Y CB 1.449 40.035 38.460 0.211 0.000 1.179 85 Y HN 0.793 nan 8.280 nan 0.000 0.442 86 R N 7.282 127.819 120.500 0.063 0.000 2.202 86 R HA 0.534 4.855 4.340 -0.031 0.000 0.334 86 R C -1.519 174.534 176.300 -0.411 0.000 1.036 86 R CA -0.217 55.735 56.100 -0.248 0.000 0.878 86 R CB 0.195 30.198 30.300 -0.494 0.000 1.067 86 R HN 0.592 nan 8.270 nan 0.000 0.457 87 F N 0.690 120.354 119.950 -0.476 0.000 2.675 87 F HA 0.664 5.175 4.527 -0.027 0.000 0.324 87 F C -0.947 174.787 175.800 -0.111 0.000 1.106 87 F CA -1.175 56.589 58.000 -0.394 0.000 0.970 87 F CB 1.307 39.996 39.000 -0.518 0.000 1.385 87 F HN 0.376 nan 8.300 nan 0.000 0.489 88 S N 0.604 116.395 115.700 0.151 0.000 2.568 88 S HA 0.735 5.187 4.470 -0.031 0.000 0.302 88 S C -0.909 173.836 174.600 0.242 0.000 1.082 88 S CA -0.795 57.469 58.200 0.107 0.000 1.009 88 S CB 1.496 64.808 63.200 0.187 0.000 1.069 88 S HN 0.703 nan 8.310 nan 0.000 0.500 89 I N 2.388 122.990 120.570 0.053 0.000 2.395 89 I HA 0.226 4.378 4.170 -0.031 0.000 0.289 89 I C 0.667 176.921 176.117 0.228 0.000 1.023 89 I CA -0.317 60.891 61.300 -0.153 0.000 1.350 89 I CB 1.568 39.380 38.000 -0.312 0.000 1.409 89 I HN 0.754 nan 8.210 nan 0.000 0.507 90 S N 6.646 122.568 115.700 0.370 0.000 2.430 90 S HA -0.009 4.442 4.470 -0.031 0.000 0.282 90 S C 0.839 175.720 174.600 0.468 0.000 1.186 90 S CA -0.423 58.044 58.200 0.446 0.000 1.060 90 S CB 0.220 63.701 63.200 0.468 0.000 0.966 90 S HN 0.701 nan 8.310 nan 0.000 0.501 91 W N 4.839 126.255 121.300 0.192 0.000 2.338 91 W HA -0.161 4.479 4.660 -0.032 0.000 0.304 91 W C 2.220 178.769 176.519 0.050 0.000 1.212 91 W CA 1.996 59.269 57.345 -0.120 0.000 1.264 91 W CB -1.214 28.049 29.460 -0.327 0.000 1.142 91 W HN 0.857 nan 8.180 nan 0.000 0.512 92 S N -0.276 115.620 115.700 0.327 0.000 2.561 92 S HA -0.062 4.389 4.470 -0.031 0.000 0.225 92 S C 1.913 176.647 174.600 0.224 0.000 0.977 92 S CA 0.796 59.115 58.200 0.199 0.000 0.926 92 S CB -0.329 62.926 63.200 0.092 0.000 0.769 92 S HN 0.387 nan 8.310 nan 0.000 0.533 93 R N 0.581 121.262 120.500 0.301 0.000 2.119 93 R HA 0.112 4.434 4.340 -0.031 0.000 0.222 93 R C 1.714 178.191 176.300 0.295 0.000 1.088 93 R CA 1.074 57.354 56.100 0.300 0.000 0.984 93 R CB -0.130 30.415 30.300 0.409 0.000 0.884 93 R HN 0.389 nan 8.270 nan 0.000 0.447 94 I N -0.075 120.691 120.570 0.327 0.000 2.235 94 I HA -0.085 4.067 4.170 -0.031 0.000 0.241 94 I C 0.377 176.344 176.117 -0.251 0.000 1.085 94 I CA 1.189 62.555 61.300 0.111 0.000 1.378 94 I CB -0.553 37.579 38.000 0.220 0.000 1.076 94 I HN -0.051 nan 8.210 nan 0.000 0.415 95 F N 1.659 121.719 119.950 0.182 0.000 2.359 95 F HA 0.357 4.867 4.527 -0.029 0.000 0.369 95 F C -1.667 174.172 175.800 0.066 0.000 1.084 95 F CA -1.884 56.178 58.000 0.103 0.000 1.096 95 F CB 0.671 39.766 39.000 0.159 0.000 1.335 95 F HN -0.158 nan 8.300 nan 0.000 0.457 96 P HA -0.161 nan 4.420 nan 0.000 0.217 96 P C 0.633 177.966 177.300 0.056 0.000 1.148 96 P CA 1.474 64.630 63.100 0.093 0.000 0.828 96 P CB 0.300 32.038 31.700 0.062 0.000 0.783 97 D N -2.537 117.907 120.400 0.074 0.000 2.363 97 D HA 0.160 4.782 4.640 -0.031 0.000 0.214 97 D C 1.541 177.822 176.300 -0.032 0.000 1.093 97 D CA 0.651 54.662 54.000 0.018 0.000 0.837 97 D CB 0.119 40.940 40.800 0.034 0.000 0.948 97 D HN 0.120 nan 8.370 nan 0.000 0.507 98 G N 1.936 110.718 108.800 -0.030 0.000 2.205 98 G HA2 -0.278 3.664 3.960 -0.031 0.000 0.261 98 G HA3 -0.278 3.664 3.960 -0.031 0.000 0.261 98 G C 0.199 175.077 174.900 -0.037 0.000 0.980 98 G CA 0.737 45.685 45.100 -0.253 0.000 0.632 98 G HN 0.511 nan 8.290 nan 0.000 0.533 99 E N -2.211 117.982 120.200 -0.010 0.000 2.401 99 E HA 0.546 4.877 4.350 -0.031 0.000 0.280 99 E C 0.674 177.314 176.600 0.066 0.000 1.039 99 E CA -0.452 55.877 56.400 -0.117 0.000 0.814 99 E CB 1.213 30.894 29.700 -0.032 0.000 1.275 99 E HN 1.791 nan 8.360 nan 0.000 0.448 100 G N 1.871 110.715 108.800 0.072 0.000 2.552 100 G HA2 -0.339 3.602 3.960 -0.031 0.000 0.267 100 G HA3 -0.339 3.602 3.960 -0.031 0.000 0.267 100 G C -0.248 174.806 174.900 0.257 0.000 1.174 100 G CA 0.117 45.305 45.100 0.147 0.000 0.955 100 G HN 0.783 nan 8.290 nan 0.000 0.546 101 R N 0.451 121.061 120.500 0.184 0.000 2.489 101 R HA 0.411 4.732 4.340 -0.031 0.000 0.287 101 R C 0.149 176.477 176.300 0.047 0.000 1.053 101 R CA -0.104 56.062 56.100 0.111 0.000 1.036 101 R CB 0.277 30.618 30.300 0.068 0.000 0.966 101 R HN 0.429 nan 8.270 nan 0.000 0.432 102 V N 4.750 124.592 119.914 -0.121 0.000 2.498 102 V HA 0.010 4.111 4.120 -0.031 0.000 0.279 102 V C 0.328 176.318 176.094 -0.173 0.000 1.048 102 V CA -0.486 61.570 62.300 -0.407 0.000 0.967 102 V CB 1.168 32.694 31.823 -0.495 0.000 0.988 102 V HN 0.734 nan 8.190 nan 0.000 0.473 103 N N 4.537 123.144 118.700 -0.154 0.000 2.439 103 N HA 0.102 4.824 4.740 -0.031 0.000 0.243 103 N C 1.004 176.538 175.510 0.040 0.000 1.088 103 N CA -0.060 52.980 53.050 -0.016 0.000 0.940 103 N CB 0.994 39.498 38.487 0.028 0.000 1.180 103 N HN 0.530 nan 8.380 nan 0.000 0.505 104 Q N 1.959 121.793 119.800 0.056 0.000 2.170 104 Q HA -0.187 4.134 4.340 -0.031 0.000 0.203 104 Q C 1.138 177.220 176.000 0.137 0.000 0.976 104 Q CA 1.138 57.001 55.803 0.100 0.000 0.858 104 Q CB -0.067 28.721 28.738 0.083 0.000 0.907 104 Q HN 0.813 nan 8.270 nan 0.000 0.433 105 E N -0.148 120.128 120.200 0.126 0.000 2.110 105 E HA -0.151 4.180 4.350 -0.031 0.000 0.193 105 E C 1.911 178.641 176.600 0.216 0.000 0.988 105 E CA 1.118 57.611 56.400 0.156 0.000 0.804 105 E CB -0.186 29.594 29.700 0.133 0.000 0.745 105 E HN 0.398 nan 8.360 nan 0.000 0.458 106 G N 0.459 109.393 108.800 0.223 0.000 2.421 106 G HA2 -0.235 3.706 3.960 -0.031 0.000 0.216 106 G HA3 -0.235 3.706 3.960 -0.031 0.000 0.216 106 G C 1.654 176.812 174.900 0.429 0.000 1.171 106 G CA 0.933 46.222 45.100 0.314 0.000 0.775 106 G HN 0.233 nan 8.290 nan 0.000 0.543 107 V N 1.732 121.892 119.914 0.410 0.000 2.332 107 V HA -0.192 3.910 4.120 -0.031 0.000 0.248 107 V C 3.351 179.701 176.094 0.425 0.000 1.055 107 V CA 2.113 64.731 62.300 0.531 0.000 1.038 107 V CB -0.974 31.085 31.823 0.394 0.000 0.651 107 V HN 0.483 nan 8.190 nan 0.000 0.450 108 A N -0.890 122.088 122.820 0.263 0.000 1.940 108 A HA -0.284 4.017 4.320 -0.031 0.000 0.219 108 A C 2.156 179.784 177.584 0.072 0.000 1.176 108 A CA 2.166 54.303 52.037 0.167 0.000 0.631 108 A CB -0.785 18.296 19.000 0.135 0.000 0.814 108 A HN 0.661 nan 8.150 nan 0.000 0.446 109 Y N -0.534 119.709 120.300 -0.095 0.000 2.097 109 Y HA -0.292 4.238 4.550 -0.033 0.000 0.282 109 Y C 2.142 177.758 175.900 -0.474 0.000 1.152 109 Y CA 2.052 59.894 58.100 -0.428 0.000 1.136 109 Y CB -0.699 37.405 38.460 -0.593 0.000 0.975 109 Y HN 0.381 nan 8.280 nan 0.000 0.498 110 Y N 0.305 120.460 120.300 -0.242 0.000 2.242 110 Y HA -0.194 4.340 4.550 -0.026 0.000 0.291 110 Y C 2.468 178.193 175.900 -0.291 0.000 1.137 110 Y CA 1.386 59.234 58.100 -0.419 0.000 1.181 110 Y CB -0.878 37.366 38.460 -0.359 0.000 0.989 110 Y HN 0.191 nan 8.280 nan 0.000 0.527 111 N N 0.375 119.176 118.700 0.168 0.000 2.069 111 N HA -0.187 4.534 4.740 -0.031 0.000 0.191 111 N C 1.441 176.946 175.510 -0.009 0.000 1.031 111 N CA 1.416 54.579 53.050 0.188 0.000 0.852 111 N CB -0.528 38.102 38.487 0.239 0.000 1.018 111 N HN 0.373 nan 8.380 nan 0.000 0.423 112 N N 1.002 119.615 118.700 -0.146 0.000 2.120 112 N HA -0.118 4.604 4.740 -0.031 0.000 0.188 112 N C 1.806 177.163 175.510 -0.255 0.000 1.024 112 N CA 0.408 53.361 53.050 -0.161 0.000 0.852 112 N CB -0.578 37.796 38.487 -0.188 0.000 1.003 112 N HN 0.190 nan 8.380 nan 0.000 0.424 113 L N 1.340 122.145 121.223 -0.697 0.000 1.994 113 L HA -0.021 4.300 4.340 -0.031 0.000 0.208 113 L C 1.992 178.745 176.870 -0.194 0.000 1.071 113 L CA 1.377 55.828 54.840 -0.649 0.000 0.745 113 L CB -0.767 40.644 42.059 -1.079 0.000 0.892 113 L HN 0.079 nan 8.230 nan 0.000 0.431 114 I N 0.007 120.499 120.570 -0.130 0.000 2.163 114 I HA -0.312 3.840 4.170 -0.031 0.000 0.243 114 I C 2.137 178.293 176.117 0.066 0.000 1.085 114 I CA 1.311 62.632 61.300 0.035 0.000 1.347 114 I CB -0.569 37.474 38.000 0.072 0.000 1.044 114 I HN 0.388 nan 8.210 nan 0.000 0.408 115 N N 0.069 118.810 118.700 0.069 0.000 2.120 115 N HA -0.230 4.492 4.740 -0.031 0.000 0.188 115 N C 1.830 177.410 175.510 0.117 0.000 1.024 115 N CA 1.354 54.458 53.050 0.091 0.000 0.852 115 N CB -0.546 38.000 38.487 0.098 0.000 1.003 115 N HN 0.350 nan 8.380 nan 0.000 0.424 116 Y N 1.614 121.935 120.300 0.035 0.000 2.200 116 Y HA -0.035 4.501 4.550 -0.024 0.000 0.290 116 Y C 2.195 178.114 175.900 0.031 0.000 1.137 116 Y CA 1.077 59.207 58.100 0.050 0.000 1.163 116 Y CB -0.426 38.106 38.460 0.119 0.000 0.988 116 Y HN -0.033 nan 8.280 nan 0.000 0.518 117 L N -0.680 120.593 121.223 0.084 0.000 1.990 117 L HA -0.319 4.002 4.340 -0.031 0.000 0.213 117 L C 2.444 179.298 176.870 -0.026 0.000 1.072 117 L CA 1.671 56.527 54.840 0.027 0.000 0.755 117 L CB -0.795 41.339 42.059 0.126 0.000 0.889 117 L HN 0.261 nan 8.230 nan 0.000 0.432 118 L N -0.940 120.284 121.223 0.003 0.000 2.083 118 L HA -0.242 4.079 4.340 -0.031 0.000 0.209 118 L C 2.713 179.548 176.870 -0.058 0.000 1.083 118 L CA 1.196 56.033 54.840 -0.005 0.000 0.752 118 L CB -0.569 41.503 42.059 0.022 0.000 0.899 118 L HN 0.417 nan 8.230 nan 0.000 0.433 119 Q N 0.461 120.198 119.800 -0.106 0.000 2.135 119 Q HA -0.205 4.116 4.340 -0.031 0.000 0.204 119 Q C 1.472 177.344 176.000 -0.214 0.000 0.981 119 Q CA 1.326 57.037 55.803 -0.154 0.000 0.856 119 Q CB 0.233 28.858 28.738 -0.187 0.000 0.902 119 Q HN 0.309 nan 8.270 nan 0.000 0.425 120 K N -0.766 119.455 120.400 -0.297 0.000 2.417 120 K HA 0.094 4.396 4.320 -0.031 0.000 0.196 120 K C 0.686 177.212 176.600 -0.125 0.000 1.023 120 K CA 0.708 56.842 56.287 -0.255 0.000 1.122 120 K CB 0.561 32.849 32.500 -0.354 0.000 0.850 120 K HN 0.412 nan 8.250 nan 0.000 0.521 121 G N 2.039 110.788 108.800 -0.084 0.000 2.176 121 G HA2 -0.210 3.731 3.960 -0.031 0.000 0.252 121 G HA3 -0.210 3.731 3.960 -0.031 0.000 0.252 121 G C -0.036 174.867 174.900 0.005 0.000 1.024 121 G CA -0.169 44.909 45.100 -0.037 0.000 0.755 121 G HN 0.186 nan 8.290 nan 0.000 0.507 122 I N 1.311 121.894 120.570 0.021 0.000 2.354 122 I HA 0.325 4.476 4.170 -0.031 0.000 0.292 122 I C 0.739 176.937 176.117 0.135 0.000 0.989 122 I CA -0.541 60.809 61.300 0.084 0.000 1.188 122 I CB 1.149 39.198 38.000 0.081 0.000 1.342 122 I HN -0.002 nan 8.210 nan 0.000 0.457 123 T N 8.422 123.082 114.554 0.177 0.000 2.761 123 T HA 0.235 4.567 4.350 -0.031 0.000 0.296 123 T C -2.328 172.568 174.700 0.326 0.000 0.934 123 T CA -1.033 61.194 62.100 0.212 0.000 1.091 123 T CB 0.511 69.510 68.868 0.218 0.000 0.896 123 T HN 0.365 nan 8.240 nan 0.000 0.515 124 P HA 0.207 nan 4.420 nan 0.000 0.276 124 P C -1.293 176.032 177.300 0.041 0.000 1.243 124 P CA -0.433 62.821 63.100 0.256 0.000 0.768 124 P CB 0.290 32.113 31.700 0.204 0.000 0.856 125 Y N 2.216 122.426 120.300 -0.150 0.000 2.356 125 Y HA 0.304 4.835 4.550 -0.032 0.000 0.334 125 Y C 0.222 175.865 175.900 -0.428 0.000 0.958 125 Y CA -0.704 57.250 58.100 -0.243 0.000 1.196 125 Y CB 1.580 39.934 38.460 -0.175 0.000 1.137 125 Y HN 0.082 nan 8.280 nan 0.000 0.485 126 V N 4.191 123.844 119.914 -0.435 0.000 2.378 126 V HA 0.299 4.400 4.120 -0.031 0.000 0.288 126 V C -0.373 175.671 176.094 -0.084 0.000 1.016 126 V CA -1.211 60.726 62.300 -0.605 0.000 0.840 126 V CB 1.363 32.675 31.823 -0.851 0.000 0.994 126 V HN 0.660 nan 8.190 nan 0.000 0.431 127 N N 2.981 121.658 118.700 -0.038 0.000 2.488 127 N HA 0.371 5.092 4.740 -0.031 0.000 0.274 127 N C 0.922 176.523 175.510 0.151 0.000 1.111 127 N CA -0.330 52.813 53.050 0.155 0.000 0.974 127 N CB 1.335 39.903 38.487 0.134 0.000 1.089 127 N HN 0.612 nan 8.380 nan 0.000 0.465 128 L N 1.557 122.904 121.223 0.207 0.000 2.240 128 L HA 0.080 4.402 4.340 -0.031 0.000 0.211 128 L C -0.194 177.007 176.870 0.551 0.000 1.106 128 L CA 0.575 55.540 54.840 0.209 0.000 0.793 128 L CB -0.053 41.972 42.059 -0.058 0.000 0.927 128 L HN 0.591 nan 8.230 nan 0.000 0.446 129 Y N -1.050 119.474 120.300 0.373 0.000 2.441 129 Y HA 0.345 4.877 4.550 -0.030 0.000 0.334 129 Y C -0.915 175.204 175.900 0.364 0.000 1.061 129 Y CA -1.088 57.322 58.100 0.516 0.000 1.032 129 Y CB 1.202 40.075 38.460 0.689 0.000 1.266 129 Y HN -0.035 nan 8.280 nan 0.000 0.441 130 H N 6.508 125.463 119.070 -0.190 0.000 2.514 130 H HA 0.267 4.806 4.556 -0.030 0.000 0.226 130 H C -0.730 174.363 175.328 -0.392 0.000 1.421 130 H CA -0.187 55.688 56.048 -0.288 0.000 1.394 130 H CB -0.266 29.418 29.762 -0.130 0.000 1.701 130 H HN 0.925 nan 8.280 nan 0.000 0.515 131 Y N -0.547 119.456 120.300 -0.494 0.000 4.766 131 Y HA -0.340 4.192 4.550 -0.031 0.000 0.289 131 Y C 0.268 176.131 175.900 -0.062 0.000 0.965 131 Y CA 0.514 58.482 58.100 -0.221 0.000 1.738 131 Y CB -0.933 37.314 38.460 -0.354 0.000 1.062 131 Y HN 0.547 nan 8.280 nan 0.000 0.440 132 D N 1.685 122.034 120.400 -0.084 0.000 3.168 132 D HA 0.303 4.925 4.640 -0.031 0.000 0.255 132 D C -0.005 176.452 176.300 0.262 0.000 1.314 132 D CA -0.265 53.846 54.000 0.185 0.000 0.900 132 D CB -0.062 40.878 40.800 0.233 0.000 1.072 132 D HN 0.211 nan 8.370 nan 0.000 0.487 133 L N 1.138 122.619 121.223 0.431 0.000 2.601 133 L HA 0.137 4.459 4.340 -0.031 0.000 0.277 133 L C -2.257 174.629 176.870 0.028 0.000 1.219 133 L CA -0.960 54.105 54.840 0.374 0.000 0.915 133 L CB 0.044 42.324 42.059 0.369 0.000 1.160 133 L HN -0.035 nan 8.230 nan 0.000 0.494 134 P HA -0.099 nan 4.420 nan 0.000 0.261 134 P C 0.479 177.679 177.300 -0.166 0.000 1.183 134 P CA -0.010 62.944 63.100 -0.243 0.000 0.761 134 P CB 0.514 31.917 31.700 -0.495 0.000 0.785 135 L N 5.401 126.574 121.223 -0.082 0.000 2.079 135 L HA -0.220 4.102 4.340 -0.031 0.000 0.210 135 L C 2.110 178.929 176.870 -0.084 0.000 1.081 135 L CA 2.278 57.079 54.840 -0.065 0.000 0.752 135 L CB -1.404 40.632 42.059 -0.038 0.000 0.896 135 L HN 0.416 nan 8.230 nan 0.000 0.433 136 A N -0.756 122.008 122.820 -0.093 0.000 1.933 136 A HA -0.166 4.135 4.320 -0.031 0.000 0.218 136 A C 2.233 179.768 177.584 -0.082 0.000 1.175 136 A CA 1.918 53.905 52.037 -0.083 0.000 0.628 136 A CB -0.753 18.207 19.000 -0.067 0.000 0.814 136 A HN 0.515 nan 8.150 nan 0.000 0.444 137 L N -1.155 119.994 121.223 -0.123 0.000 2.109 137 L HA -0.149 4.172 4.340 -0.031 0.000 0.207 137 L C 2.609 179.446 176.870 -0.055 0.000 1.086 137 L CA 1.569 56.371 54.840 -0.063 0.000 0.760 137 L CB -0.573 41.290 42.059 -0.326 0.000 0.910 137 L HN 0.433 nan 8.230 nan 0.000 0.437 138 E N 1.162 121.294 120.200 -0.113 0.000 2.058 138 E HA -0.233 4.099 4.350 -0.031 0.000 0.194 138 E C 2.099 178.664 176.600 -0.059 0.000 0.997 138 E CA 1.691 58.043 56.400 -0.080 0.000 0.801 138 E CB 0.040 29.702 29.700 -0.064 0.000 0.746 138 E HN 0.284 nan 8.360 nan 0.000 0.450 139 K N -0.168 120.190 120.400 -0.070 0.000 2.062 139 K HA -0.099 4.203 4.320 -0.031 0.000 0.205 139 K C 2.285 178.816 176.600 -0.115 0.000 1.051 139 K CA 1.344 57.584 56.287 -0.079 0.000 0.941 139 K CB -0.108 32.347 32.500 -0.076 0.000 0.719 139 K HN 0.037 nan 8.250 nan 0.000 0.440 140 K N -0.116 120.186 120.400 -0.162 0.000 2.137 140 K HA -0.069 4.233 4.320 -0.031 0.000 0.202 140 K C 1.115 177.445 176.600 -0.449 0.000 1.052 140 K CA 1.107 57.188 56.287 -0.343 0.000 0.961 140 K CB 0.221 32.432 32.500 -0.482 0.000 0.741 140 K HN 0.122 nan 8.250 nan 0.000 0.452 141 Y N -1.233 118.999 120.300 -0.112 0.000 2.444 141 Y HA 0.265 4.796 4.550 -0.031 0.000 0.252 141 Y C 1.084 176.919 175.900 -0.109 0.000 1.091 141 Y CA 0.181 58.212 58.100 -0.115 0.000 1.276 141 Y CB 1.649 40.017 38.460 -0.154 0.000 1.170 141 Y HN 0.280 nan 8.280 nan 0.000 0.517 142 G N 0.342 109.158 108.800 0.028 0.000 2.132 142 G HA2 -0.054 3.888 3.960 -0.031 0.000 0.234 142 G HA3 -0.054 3.888 3.960 -0.031 0.000 0.234 142 G C 0.982 175.870 174.900 -0.020 0.000 0.989 142 G CA 0.069 45.174 45.100 0.008 0.000 0.676 142 G HN 0.958 nan 8.290 nan 0.000 0.522 143 G N -0.525 108.210 108.800 -0.108 0.000 2.614 143 G HA2 -0.337 3.604 3.960 -0.031 0.000 0.303 143 G HA3 -0.337 3.604 3.960 -0.031 0.000 0.303 143 G C 0.926 175.586 174.900 -0.401 0.000 1.270 143 G CA 1.139 46.046 45.100 -0.321 0.000 0.988 143 G HN 1.101 nan 8.290 nan 0.000 0.551 144 W N 0.867 122.077 121.300 -0.150 0.000 2.937 144 W HA 0.404 5.045 4.660 -0.032 0.000 0.245 144 W C 2.472 178.783 176.519 -0.347 0.000 1.306 144 W CA 0.105 57.217 57.345 -0.389 0.000 1.470 144 W CB -0.205 28.833 29.460 -0.704 0.000 1.132 144 W HN 0.302 nan 8.180 nan 0.000 0.675 145 L N 0.328 121.510 121.223 -0.068 0.000 2.275 145 L HA -0.085 4.237 4.340 -0.031 0.000 0.215 145 L C 1.074 177.921 176.870 -0.039 0.000 1.119 145 L CA 0.654 55.456 54.840 -0.062 0.000 0.790 145 L CB -0.562 41.506 42.059 0.016 0.000 0.919 145 L HN -0.084 nan 8.230 nan 0.000 0.443 146 N N 0.245 118.910 118.700 -0.058 0.000 2.425 146 N HA 0.212 4.934 4.740 -0.031 0.000 0.268 146 N C 0.707 176.186 175.510 -0.052 0.000 0.991 146 N CA 0.287 53.314 53.050 -0.039 0.000 0.931 146 N CB 1.962 40.435 38.487 -0.023 0.000 1.130 146 N HN -0.003 nan 8.380 nan 0.000 0.493 147 A N 3.904 126.719 122.820 -0.009 0.000 2.076 147 A HA -0.176 4.125 4.320 -0.031 0.000 0.220 147 A C 1.910 179.487 177.584 -0.012 0.000 1.160 147 A CA 1.366 53.410 52.037 0.012 0.000 0.653 147 A CB -0.229 18.795 19.000 0.041 0.000 0.801 147 A HN 0.690 nan 8.150 nan 0.000 0.455 148 K N -0.521 119.851 120.400 -0.047 0.000 2.281 148 K HA -0.100 4.202 4.320 -0.031 0.000 0.203 148 K C 1.693 178.186 176.600 -0.178 0.000 1.046 148 K CA 1.270 57.496 56.287 -0.102 0.000 0.938 148 K CB -0.387 32.047 32.500 -0.111 0.000 0.737 148 K HN 0.360 nan 8.250 nan 0.000 0.458 149 M N -0.033 119.446 119.600 -0.201 0.000 2.195 149 M HA -0.142 4.319 4.480 -0.031 0.000 0.260 149 M C 2.088 178.420 176.300 0.052 0.000 1.066 149 M CA 1.771 56.939 55.300 -0.220 0.000 1.089 149 M CB -1.353 30.981 32.600 -0.443 0.000 1.377 149 M HN 0.294 nan 8.290 nan 0.000 0.411 150 A N 0.349 123.230 122.820 0.101 0.000 1.883 150 A HA -0.205 4.096 4.320 -0.031 0.000 0.217 150 A C 1.942 179.621 177.584 0.158 0.000 1.186 150 A CA 2.128 54.279 52.037 0.190 0.000 0.624 150 A CB -0.746 18.337 19.000 0.138 0.000 0.822 150 A HN 0.403 nan 8.150 nan 0.000 0.444 151 D N -0.064 120.373 120.400 0.062 0.000 2.097 151 D HA -0.099 4.522 4.640 -0.031 0.000 0.195 151 D C 2.000 178.312 176.300 0.020 0.000 0.989 151 D CA 1.156 55.171 54.000 0.025 0.000 0.827 151 D CB -0.374 40.415 40.800 -0.018 0.000 0.966 151 D HN 0.456 nan 8.370 nan 0.000 0.456 152 L N -0.362 120.861 121.223 0.000 0.000 2.046 152 L HA -0.138 4.184 4.340 -0.031 0.000 0.208 152 L C 2.375 179.386 176.870 0.235 0.000 1.077 152 L CA 0.748 55.617 54.840 0.048 0.000 0.747 152 L CB -0.403 41.604 42.059 -0.088 0.000 0.896 152 L HN -0.030 nan 8.230 nan 0.000 0.432 153 F N 0.715 120.757 119.950 0.153 0.000 2.186 153 F HA -0.208 4.300 4.527 -0.031 0.000 0.299 153 F C 2.466 178.214 175.800 -0.087 0.000 1.090 153 F CA 1.850 59.880 58.000 0.050 0.000 1.307 153 F CB -0.411 38.769 39.000 0.300 0.000 1.019 153 F HN -0.071 nan 8.300 nan 0.000 0.489 154 T N 0.163 114.702 114.554 -0.025 0.000 2.788 154 T HA -0.149 4.182 4.350 -0.031 0.000 0.268 154 T C 1.765 176.329 174.700 -0.227 0.000 1.044 154 T CA 1.494 63.501 62.100 -0.156 0.000 1.139 154 T CB -0.198 68.674 68.868 0.006 0.000 0.867 154 T HN 0.210 nan 8.240 nan 0.000 0.454 155 E N 0.523 120.636 120.200 -0.145 0.000 2.072 155 E HA -0.090 4.241 4.350 -0.031 0.000 0.191 155 E C 1.869 178.352 176.600 -0.196 0.000 0.985 155 E CA 0.886 57.207 56.400 -0.130 0.000 0.801 155 E CB -0.532 29.108 29.700 -0.100 0.000 0.750 155 E HN 0.613 nan 8.360 nan 0.000 0.452 156 Y N 1.638 121.646 120.300 -0.488 0.000 2.128 156 Y HA -0.225 4.306 4.550 -0.032 0.000 0.284 156 Y C 2.237 177.766 175.900 -0.617 0.000 1.154 156 Y CA 1.626 59.364 58.100 -0.603 0.000 1.149 156 Y CB -0.775 37.001 38.460 -1.140 0.000 0.976 156 Y HN -0.014 nan 8.280 nan 0.000 0.505 157 A N 0.174 122.249 122.820 -1.242 0.000 1.902 157 A HA -0.230 4.072 4.320 -0.031 0.000 0.217 157 A C 2.234 178.971 177.584 -1.411 0.000 1.181 157 A CA 1.866 52.915 52.037 -1.646 0.000 0.623 157 A CB -1.205 16.852 19.000 -1.572 0.000 0.818 157 A HN 0.646 nan 8.150 nan 0.000 0.443 158 D N -1.033 118.983 120.400 -0.641 0.000 2.116 158 D HA -0.217 4.404 4.640 -0.031 0.000 0.193 158 D C 1.785 177.923 176.300 -0.269 0.000 0.998 158 D CA 1.734 55.608 54.000 -0.211 0.000 0.836 158 D CB -0.266 40.562 40.800 0.048 0.000 0.951 158 D HN 0.379 nan 8.370 nan 0.000 0.449 159 F N 1.303 121.094 119.950 -0.265 0.000 2.095 159 F HA -0.254 4.254 4.527 -0.032 0.000 0.298 159 F C 2.618 178.253 175.800 -0.275 0.000 1.104 159 F CA 1.610 59.534 58.000 -0.126 0.000 1.232 159 F CB -0.520 38.599 39.000 0.198 0.000 0.987 159 F HN 0.116 nan 8.300 nan 0.000 0.475 160 C N 0.159 119.223 119.300 -0.394 0.000 2.429 160 C HA -0.158 4.284 4.460 -0.031 0.000 0.277 160 C C 2.625 177.368 174.990 -0.412 0.000 1.262 160 C CA 0.619 59.434 59.018 -0.339 0.000 1.733 160 C CB -1.669 25.773 27.740 -0.496 0.000 2.010 160 C HN 0.476 nan 8.230 nan 0.000 0.483 161 F N 1.666 121.183 119.950 -0.722 0.000 2.069 161 F HA -0.135 4.373 4.527 -0.031 0.000 0.298 161 F C 2.403 177.754 175.800 -0.749 0.000 1.113 161 F CA 1.546 59.069 58.000 -0.795 0.000 1.214 161 F CB -1.232 37.087 39.000 -1.134 0.000 0.978 161 F HN 0.226 nan 8.300 nan 0.000 0.474 162 K N -0.149 119.824 120.400 -0.713 0.000 2.032 162 K HA -0.179 4.123 4.320 -0.031 0.000 0.209 162 K C 1.886 178.239 176.600 -0.412 0.000 1.048 162 K CA 2.115 58.143 56.287 -0.432 0.000 0.927 162 K CB -0.317 32.022 32.500 -0.269 0.000 0.712 162 K HN 0.269 nan 8.250 nan 0.000 0.441 163 T N -0.317 113.814 114.554 -0.706 0.000 2.896 163 T HA -0.012 4.319 4.350 -0.031 0.000 0.263 163 T C 1.086 175.329 174.700 -0.763 0.000 1.050 163 T CA 1.019 62.562 62.100 -0.928 0.000 1.140 163 T CB -0.045 67.861 68.868 -1.604 0.000 0.877 163 T HN 0.166 nan 8.240 nan 0.000 0.457 164 F N 0.076 120.021 119.950 -0.008 0.000 2.746 164 F HA 0.438 4.946 4.527 -0.032 0.000 0.313 164 F C 2.254 178.161 175.800 0.177 0.000 1.095 164 F CA -0.783 57.283 58.000 0.110 0.000 1.224 164 F CB -0.410 38.705 39.000 0.191 0.000 1.060 164 F HN 0.136 nan 8.300 nan 0.000 0.584 165 G N 0.048 109.084 108.800 0.394 0.000 2.679 165 G HA2 -0.161 3.780 3.960 -0.031 0.000 0.212 165 G HA3 -0.161 3.780 3.960 -0.031 0.000 0.212 165 G C 1.408 176.441 174.900 0.221 0.000 1.137 165 G CA 0.430 45.806 45.100 0.461 0.000 0.787 165 G HN 0.147 nan 8.290 nan 0.000 0.534 166 N N 0.358 119.137 118.700 0.132 0.000 2.459 166 N HA 0.011 4.733 4.740 -0.031 0.000 0.181 166 N C 2.136 177.688 175.510 0.070 0.000 1.046 166 N CA 0.555 53.654 53.050 0.080 0.000 0.904 166 N CB 0.022 38.538 38.487 0.048 0.000 0.964 166 N HN 0.369 nan 8.380 nan 0.000 0.444 167 R N -0.817 119.735 120.500 0.086 0.000 2.194 167 R HA 0.256 4.577 4.340 -0.031 0.000 0.194 167 R C 0.007 176.301 176.300 -0.010 0.000 0.985 167 R CA 0.043 56.175 56.100 0.053 0.000 1.104 167 R CB 0.596 30.945 30.300 0.082 0.000 1.092 167 R HN -0.124 nan 8.270 nan 0.000 0.555 168 V N 3.010 122.890 119.914 -0.056 0.000 2.455 168 V HA 0.101 4.203 4.120 -0.031 0.000 0.273 168 V C 0.491 176.365 176.094 -0.367 0.000 1.045 168 V CA 0.251 62.338 62.300 -0.355 0.000 0.976 168 V CB 1.445 32.770 31.823 -0.830 0.000 0.993 168 V HN 0.179 nan 8.190 nan 0.000 0.475 169 K N 2.624 122.784 120.400 -0.400 0.000 2.402 169 K HA 0.244 4.546 4.320 -0.031 0.000 0.204 169 K C -0.174 175.973 176.600 -0.755 0.000 1.056 169 K CA 0.103 56.137 56.287 -0.423 0.000 1.069 169 K CB 0.462 32.746 32.500 -0.359 0.000 0.888 169 K HN 0.769 nan 8.250 nan 0.000 0.546 170 H N -0.859 117.787 119.070 -0.708 0.000 2.970 170 H HA 0.303 4.841 4.556 -0.031 0.000 0.315 170 H C -1.225 173.621 175.328 -0.804 0.000 0.992 170 H CA -0.533 55.074 56.048 -0.734 0.000 1.363 170 H CB 0.480 29.459 29.762 -1.305 0.000 1.532 170 H HN -0.050 nan 8.280 nan 0.000 0.514 171 W N 2.990 124.052 121.300 -0.397 0.000 2.639 171 W HA 0.616 5.257 4.660 -0.031 0.000 0.347 171 W C -0.864 175.333 176.519 -0.536 0.000 1.067 171 W CA -0.723 56.399 57.345 -0.371 0.000 1.218 171 W CB 1.245 30.530 29.460 -0.291 0.000 1.393 171 W HN 0.330 nan 8.180 nan 0.000 0.557 172 F N 0.370 120.466 119.950 0.243 0.000 2.563 172 F HA 0.330 4.838 4.527 -0.032 0.000 0.316 172 F C 1.315 177.169 175.800 0.090 0.000 1.076 172 F CA -0.821 57.275 58.000 0.159 0.000 0.921 172 F CB 1.917 40.969 39.000 0.085 0.000 1.209 172 F HN 0.397 nan 8.300 nan 0.000 0.462 173 T N -1.215 113.467 114.554 0.214 0.000 2.739 173 T HA 0.195 4.527 4.350 -0.031 0.000 0.249 173 T C 0.318 174.838 174.700 -0.300 0.000 1.050 173 T CA 0.826 62.879 62.100 -0.079 0.000 1.165 173 T CB -0.246 68.493 68.868 -0.216 0.000 0.872 173 T HN 0.241 nan 8.240 nan 0.000 0.411 174 F N 1.492 121.510 119.950 0.115 0.000 2.523 174 F HA 0.614 5.122 4.527 -0.031 0.000 0.329 174 F C 0.087 175.771 175.800 -0.194 0.000 1.061 174 F CA -1.437 56.517 58.000 -0.077 0.000 0.967 174 F CB 1.433 40.180 39.000 -0.421 0.000 1.218 174 F HN 0.129 nan 8.300 nan 0.000 0.480 175 N N 0.876 119.526 118.700 -0.084 0.000 2.443 175 N HA 0.220 4.942 4.740 -0.031 0.000 0.269 175 N C -1.475 173.773 175.510 -0.437 0.000 0.985 175 N CA -0.331 52.474 53.050 -0.408 0.000 0.921 175 N CB 0.669 38.634 38.487 -0.869 0.000 1.195 175 N HN 0.598 nan 8.380 nan 0.000 0.492 176 Q N 1.843 121.390 119.800 -0.421 0.000 2.447 176 Q HA -0.144 4.177 4.340 -0.031 0.000 0.348 176 Q C -1.686 173.994 176.000 -0.534 0.000 1.421 176 Q CA 0.289 55.859 55.803 -0.389 0.000 0.978 176 Q CB -0.726 27.878 28.738 -0.224 0.000 1.191 176 Q HN 0.671 nan 8.270 nan 0.000 0.371 177 P HA -0.239 nan 4.420 nan 0.000 0.219 177 P C 1.070 177.895 177.300 -0.791 0.000 1.146 177 P CA 1.115 63.429 63.100 -1.311 0.000 0.808 177 P CB -0.005 30.633 31.700 -1.769 0.000 0.779 178 R N -0.116 119.973 120.500 -0.685 0.000 2.091 178 R HA -0.112 4.209 4.340 -0.031 0.000 0.238 178 R C 2.205 178.429 176.300 -0.127 0.000 1.136 178 R CA 1.358 57.328 56.100 -0.217 0.000 0.959 178 R CB -0.423 29.901 30.300 0.039 0.000 0.856 178 R HN 0.086 nan 8.270 nan 0.000 0.437 179 I N 0.407 120.864 120.570 -0.188 0.000 2.353 179 I HA -0.185 3.967 4.170 -0.031 0.000 0.248 179 I C 2.395 178.366 176.117 -0.244 0.000 1.119 179 I CA 0.879 62.069 61.300 -0.184 0.000 1.417 179 I CB -0.952 36.928 38.000 -0.199 0.000 1.078 179 I HN 0.038 nan 8.210 nan 0.000 0.421 180 V N 1.587 121.336 119.914 -0.276 0.000 2.287 180 V HA -0.279 3.822 4.120 -0.031 0.000 0.248 180 V C 2.861 178.982 176.094 0.045 0.000 1.053 180 V CA 1.990 64.193 62.300 -0.162 0.000 1.027 180 V CB -1.134 30.666 31.823 -0.037 0.000 0.646 180 V HN 0.454 nan 8.190 nan 0.000 0.447 181 A N -0.328 122.489 122.820 -0.005 0.000 1.873 181 A HA -0.178 4.123 4.320 -0.031 0.000 0.215 181 A C 2.165 179.805 177.584 0.094 0.000 1.186 181 A CA 2.097 54.167 52.037 0.055 0.000 0.616 181 A CB -0.588 18.363 19.000 -0.081 0.000 0.823 181 A HN 0.455 nan 8.150 nan 0.000 0.442 182 L N -0.332 120.919 121.223 0.047 0.000 1.994 182 L HA -0.086 4.235 4.340 -0.031 0.000 0.208 182 L C 2.236 179.129 176.870 0.038 0.000 1.071 182 L CA 1.892 56.792 54.840 0.100 0.000 0.745 182 L CB -0.335 41.818 42.059 0.158 0.000 0.892 182 L HN 0.390 nan 8.230 nan 0.000 0.431 183 L N -1.321 119.874 121.223 -0.045 0.000 2.249 183 L HA 0.102 4.424 4.340 -0.031 0.000 0.207 183 L C 2.421 179.204 176.870 -0.145 0.000 1.090 183 L CA 0.783 55.560 54.840 -0.105 0.000 0.802 183 L CB -1.093 40.858 42.059 -0.180 0.000 0.947 183 L HN 0.425 nan 8.230 nan 0.000 0.453 184 G N -1.143 107.572 108.800 -0.142 0.000 2.430 184 G HA2 -0.189 3.753 3.960 -0.031 0.000 0.216 184 G HA3 -0.189 3.753 3.960 -0.031 0.000 0.216 184 G C 1.039 175.655 174.900 -0.472 0.000 1.146 184 G CA 0.515 45.429 45.100 -0.311 0.000 0.793 184 G HN 0.368 nan 8.290 nan 0.000 0.537 185 Y N -1.638 118.635 120.300 -0.046 0.000 2.476 185 Y HA 0.236 4.767 4.550 -0.031 0.000 0.261 185 Y C 1.692 177.587 175.900 -0.008 0.000 1.077 185 Y CA -0.101 57.987 58.100 -0.020 0.000 1.240 185 Y CB 0.719 39.173 38.460 -0.010 0.000 1.317 185 Y HN 0.137 nan 8.280 nan 0.000 0.540 186 D N 0.218 120.693 120.400 0.125 0.000 2.805 186 D HA -0.053 4.568 4.640 -0.031 0.000 0.271 186 D C 1.584 177.908 176.300 0.040 0.000 1.166 186 D CA 1.325 55.381 54.000 0.094 0.000 1.004 186 D CB 0.190 41.078 40.800 0.146 0.000 1.136 186 D HN 0.247 nan 8.370 nan 0.000 0.444 187 Q N -0.412 119.398 119.800 0.016 0.000 2.331 187 Q HA 0.200 4.522 4.340 -0.031 0.000 0.203 187 Q C 0.960 176.945 176.000 -0.025 0.000 0.944 187 Q CA 0.715 56.512 55.803 -0.010 0.000 0.892 187 Q CB 0.432 29.158 28.738 -0.020 0.000 0.983 187 Q HN 0.484 nan 8.270 nan 0.000 0.482 188 G N 1.564 110.333 108.800 -0.051 0.000 2.221 188 G HA2 -0.303 3.639 3.960 -0.031 0.000 0.265 188 G HA3 -0.303 3.639 3.960 -0.031 0.000 0.265 188 G C 0.665 175.531 174.900 -0.058 0.000 1.041 188 G CA 0.818 45.868 45.100 -0.084 0.000 0.807 188 G HN 0.472 nan 8.290 nan 0.000 0.502 189 T N -3.814 110.707 114.554 -0.055 0.000 3.040 189 T HA 0.330 4.662 4.350 -0.031 0.000 0.250 189 T C 0.736 175.408 174.700 -0.046 0.000 1.058 189 T CA 0.573 62.675 62.100 0.004 0.000 0.988 189 T CB 0.635 69.516 68.868 0.021 0.000 0.993 189 T HN 0.261 nan 8.240 nan 0.000 0.519 190 N N 1.967 120.513 118.700 -0.258 0.000 2.402 190 N HA 0.548 5.270 4.740 -0.031 0.000 0.294 190 N C -3.059 172.007 175.510 -0.740 0.000 1.203 190 N CA -2.148 50.512 53.050 -0.650 0.000 0.838 190 N CB 1.696 39.895 38.487 -0.479 0.000 1.306 190 N HN 0.014 nan 8.380 nan 0.000 0.510 191 P HA 0.139 nan 4.420 nan 0.000 0.269 191 P C -2.110 174.911 177.300 -0.465 0.000 1.209 191 P CA -0.819 61.866 63.100 -0.692 0.000 0.776 191 P CB 0.267 31.476 31.700 -0.817 0.000 0.876 192 P HA 0.048 nan 4.420 nan 0.000 0.255 192 P C -0.242 176.905 177.300 -0.255 0.000 1.357 192 P CA -0.006 62.915 63.100 -0.298 0.000 0.839 192 P CB -0.107 31.434 31.700 -0.266 0.000 1.356 193 K N -0.161 120.073 120.400 -0.276 0.000 3.162 193 K HA -0.152 4.150 4.320 -0.031 0.000 0.268 193 K C -0.175 176.329 176.600 -0.160 0.000 1.062 193 K CA 0.447 56.642 56.287 -0.153 0.000 0.769 193 K CB -1.430 31.055 32.500 -0.025 0.000 1.274 193 K HN 0.413 nan 8.250 nan 0.000 0.478 194 R N 0.105 120.453 120.500 -0.254 0.000 2.474 194 R HA 0.644 4.965 4.340 -0.031 0.000 0.295 194 R C 0.093 176.346 176.300 -0.079 0.000 0.980 194 R CA -0.130 55.872 56.100 -0.163 0.000 0.934 194 R CB 1.470 31.655 30.300 -0.192 0.000 1.101 194 R HN 0.528 nan 8.270 nan 0.000 0.469 195 C N -1.330 117.958 119.300 -0.021 0.000 3.216 195 C HA 0.263 4.705 4.460 -0.031 0.000 0.346 195 C C 1.575 176.574 174.990 0.014 0.000 1.384 195 C CA -0.814 58.209 59.018 0.009 0.000 1.208 195 C CB 1.154 28.891 27.740 -0.005 0.000 1.483 195 C HN 0.810 nan 8.230 nan 0.000 0.453 196 T N 0.968 115.534 114.554 0.021 0.000 2.720 196 T HA -0.177 4.154 4.350 -0.031 0.000 0.268 196 T C 1.563 176.268 174.700 0.008 0.000 1.037 196 T CA 2.332 64.443 62.100 0.019 0.000 1.144 196 T CB -0.348 68.532 68.868 0.020 0.000 0.864 196 T HN 0.921 nan 8.240 nan 0.000 0.444 197 K N 0.220 120.621 120.400 0.002 0.000 2.426 197 K HA 0.146 4.447 4.320 -0.031 0.000 0.193 197 K C 0.368 176.964 176.600 -0.007 0.000 1.028 197 K CA 0.022 56.307 56.287 -0.003 0.000 1.047 197 K CB -0.286 32.211 32.500 -0.005 0.000 0.821 197 K HN 0.208 nan 8.250 nan 0.000 0.513 198 C N 1.706 121.000 119.300 -0.010 0.000 2.605 198 C HA 0.324 4.765 4.460 -0.031 0.000 0.404 198 C C 2.037 177.016 174.990 -0.018 0.000 1.284 198 C CA -0.228 58.779 59.018 -0.018 0.000 2.199 198 C CB 0.819 28.542 27.740 -0.028 0.000 2.647 198 C HN 0.636 nan 8.230 nan 0.000 0.604 199 A N 2.598 125.405 122.820 -0.021 0.000 1.940 199 A HA -0.034 4.267 4.320 -0.031 0.000 0.219 199 A C 2.152 179.722 177.584 -0.024 0.000 1.176 199 A CA 2.061 54.085 52.037 -0.022 0.000 0.631 199 A CB -0.625 18.360 19.000 -0.024 0.000 0.814 199 A HN 1.137 nan 8.150 nan 0.000 0.446 200 A N -1.516 121.285 122.820 -0.031 0.000 2.209 200 A HA 0.442 4.743 4.320 -0.031 0.000 0.212 200 A C 1.462 179.031 177.584 -0.025 0.000 1.158 200 A CA 1.393 53.410 52.037 -0.034 0.000 0.742 200 A CB -1.145 17.823 19.000 -0.053 0.000 0.790 200 A HN 2.165 nan 8.150 nan 0.000 0.472 201 G N -3.041 105.749 108.800 -0.017 0.000 2.655 201 G HA2 0.498 4.439 3.960 -0.031 0.000 0.680 201 G HA3 0.498 4.439 3.960 -0.031 0.000 0.680 201 G C 0.406 175.308 174.900 0.004 0.000 1.302 201 G CA -0.180 44.918 45.100 -0.003 0.000 0.872 201 G HN 2.448 nan 8.290 nan 0.000 0.540 202 G N -0.743 108.073 108.800 0.026 0.000 2.347 202 G HA2 0.503 4.445 3.960 -0.031 0.000 0.341 202 G HA3 0.503 4.445 3.960 -0.031 0.000 0.341 202 G C -1.114 173.818 174.900 0.054 0.000 1.287 202 G CA 0.439 45.571 45.100 0.053 0.000 0.984 202 G HN 2.415 nan 8.290 nan 0.000 0.526 203 N N -0.745 118.001 118.700 0.077 0.000 2.812 203 N HA 0.366 5.087 4.740 -0.031 0.000 0.262 203 N C 0.800 176.366 175.510 0.092 0.000 1.241 203 N CA 0.224 53.317 53.050 0.071 0.000 0.854 203 N CB 1.451 39.979 38.487 0.068 0.000 1.506 203 N HN 0.459 nan 8.380 nan 0.000 0.576 204 S N 1.192 116.939 115.700 0.079 0.000 2.442 204 S HA -0.062 4.389 4.470 -0.031 0.000 0.236 204 S C 1.650 176.318 174.600 0.114 0.000 1.007 204 S CA 1.192 59.445 58.200 0.088 0.000 0.965 204 S CB 0.130 63.365 63.200 0.060 0.000 0.773 204 S HN 0.685 nan 8.310 nan 0.000 0.504 205 A N 1.124 124.018 122.820 0.123 0.000 2.123 205 A HA 0.064 4.366 4.320 -0.031 0.000 0.214 205 A C 2.184 179.929 177.584 0.269 0.000 1.152 205 A CA 1.404 53.551 52.037 0.183 0.000 0.728 205 A CB -0.372 18.703 19.000 0.124 0.000 0.814 205 A HN 0.591 nan 8.150 nan 0.000 0.464 206 T N -4.327 110.347 114.554 0.200 0.000 3.075 206 T HA 0.141 4.472 4.350 -0.031 0.000 0.251 206 T C 1.511 176.315 174.700 0.174 0.000 0.979 206 T CA 0.604 62.831 62.100 0.211 0.000 1.033 206 T CB -0.226 68.708 68.868 0.109 0.000 1.104 206 T HN 0.341 nan 8.240 nan 0.000 0.473 207 E N 2.311 122.578 120.200 0.111 0.000 2.077 207 E HA -0.027 4.304 4.350 -0.031 0.000 0.193 207 E C -0.743 175.827 176.600 -0.049 0.000 0.989 207 E CA 1.322 57.754 56.400 0.052 0.000 0.800 207 E CB -1.054 28.736 29.700 0.150 0.000 0.746 207 E HN 0.449 nan 8.360 nan 0.000 0.452 208 P HA -0.182 nan 4.420 nan 0.000 0.216 208 P C 0.772 178.014 177.300 -0.098 0.000 1.150 208 P CA 1.318 64.335 63.100 -0.139 0.000 0.843 208 P CB -0.112 31.423 31.700 -0.275 0.000 0.787 209 Y N -1.159 119.234 120.300 0.155 0.000 2.263 209 Y HA -0.072 4.460 4.550 -0.031 0.000 0.292 209 Y C 2.379 178.313 175.900 0.057 0.000 1.130 209 Y CA 0.699 58.902 58.100 0.172 0.000 1.179 209 Y CB -1.352 37.118 38.460 0.017 0.000 0.998 209 Y HN -0.112 nan 8.280 nan 0.000 0.532 210 I N -1.059 119.579 120.570 0.113 0.000 2.179 210 I HA -0.284 3.867 4.170 -0.031 0.000 0.242 210 I C 2.169 178.267 176.117 -0.032 0.000 1.088 210 I CA 1.078 62.389 61.300 0.019 0.000 1.357 210 I CB -0.557 37.428 38.000 -0.025 0.000 1.051 210 I HN 0.012 nan 8.210 nan 0.000 0.409 211 V N 0.979 120.791 119.914 -0.171 0.000 2.295 211 V HA -0.324 3.778 4.120 -0.031 0.000 0.246 211 V C 2.708 178.701 176.094 -0.168 0.000 1.049 211 V CA 2.090 64.210 62.300 -0.301 0.000 1.024 211 V CB -1.085 30.386 31.823 -0.586 0.000 0.648 211 V HN 0.515 nan 8.190 nan 0.000 0.447 212 A N -0.852 121.917 122.820 -0.085 0.000 1.940 212 A HA -0.311 3.990 4.320 -0.031 0.000 0.219 212 A C 2.090 179.706 177.584 0.053 0.000 1.176 212 A CA 2.397 54.366 52.037 -0.113 0.000 0.631 212 A CB -0.827 17.767 19.000 -0.676 0.000 0.814 212 A HN 0.724 nan 8.150 nan 0.000 0.446 213 H N 0.407 119.492 119.070 0.024 0.000 2.326 213 H HA -0.064 4.474 4.556 -0.031 0.000 0.301 213 H C 2.001 177.358 175.328 0.049 0.000 1.081 213 H CA 1.964 58.057 56.048 0.075 0.000 1.334 213 H CB -0.047 29.715 29.762 -0.001 0.000 1.385 213 H HN 0.416 nan 8.280 nan 0.000 0.504 214 N N -0.163 118.569 118.700 0.053 0.000 2.223 214 N HA -0.150 4.571 4.740 -0.031 0.000 0.185 214 N C 1.787 177.220 175.510 -0.129 0.000 1.016 214 N CA 1.047 54.085 53.050 -0.020 0.000 0.863 214 N CB -0.491 37.993 38.487 -0.005 0.000 0.983 214 N HN 0.366 nan 8.380 nan 0.000 0.429 215 F N 1.068 120.812 119.950 -0.343 0.000 2.146 215 F HA -0.042 4.466 4.527 -0.031 0.000 0.298 215 F C 2.232 177.842 175.800 -0.318 0.000 1.096 215 F CA 0.525 58.062 58.000 -0.772 0.000 1.275 215 F CB -0.151 38.224 39.000 -1.041 0.000 1.008 215 F HN -0.041 nan 8.300 nan 0.000 0.480 216 L N -0.390 120.879 121.223 0.077 0.000 2.056 216 L HA -0.238 4.084 4.340 -0.031 0.000 0.207 216 L C 2.282 179.246 176.870 0.156 0.000 1.078 216 L CA 1.114 56.033 54.840 0.133 0.000 0.749 216 L CB -0.635 41.523 42.059 0.165 0.000 0.901 216 L HN 0.179 nan 8.230 nan 0.000 0.433 217 L N -1.236 120.051 121.223 0.107 0.000 2.093 217 L HA -0.171 4.150 4.340 -0.031 0.000 0.208 217 L C 2.677 179.653 176.870 0.177 0.000 1.085 217 L CA 0.970 55.881 54.840 0.118 0.000 0.755 217 L CB -0.454 41.646 42.059 0.068 0.000 0.904 217 L HN 0.201 nan 8.230 nan 0.000 0.435 218 S N -1.327 114.510 115.700 0.229 0.000 2.368 218 S HA -0.242 4.209 4.470 -0.031 0.000 0.224 218 S C 1.868 176.746 174.600 0.464 0.000 1.029 218 S CA 1.353 59.778 58.200 0.375 0.000 0.988 218 S CB -0.415 63.060 63.200 0.458 0.000 0.838 218 S HN 0.535 nan 8.310 nan 0.000 0.462 219 H N 2.093 121.419 119.070 0.427 0.000 2.289 219 H HA -0.086 4.452 4.556 -0.031 0.000 0.296 219 H C 2.102 177.548 175.328 0.197 0.000 1.091 219 H CA 1.970 58.221 56.048 0.338 0.000 1.274 219 H CB -0.633 29.295 29.762 0.278 0.000 1.364 219 H HN 0.304 nan 8.280 nan 0.000 0.490 220 A N 0.781 123.690 122.820 0.148 0.000 1.908 220 A HA -0.095 4.207 4.320 -0.031 0.000 0.218 220 A C 2.629 180.215 177.584 0.003 0.000 1.181 220 A CA 1.913 53.972 52.037 0.038 0.000 0.627 220 A CB -1.385 17.650 19.000 0.058 0.000 0.818 220 A HN 0.677 nan 8.150 nan 0.000 0.445 221 A N -0.338 122.527 122.820 0.075 0.000 1.930 221 A HA 0.227 4.528 4.320 -0.031 0.000 0.217 221 A C 2.477 180.097 177.584 0.060 0.000 1.175 221 A CA 1.902 53.984 52.037 0.074 0.000 0.627 221 A CB -0.897 18.174 19.000 0.117 0.000 0.815 221 A HN 1.008 nan 8.150 nan 0.000 0.443 222 A N -0.634 122.239 122.820 0.089 0.000 1.898 222 A HA 0.056 4.358 4.320 -0.031 0.000 0.216 222 A C 2.200 179.804 177.584 0.033 0.000 1.181 222 A CA 1.638 53.707 52.037 0.053 0.000 0.620 222 A CB -0.796 18.241 19.000 0.061 0.000 0.819 222 A HN 0.344 nan 8.150 nan 0.000 0.442 223 V N -0.115 119.731 119.914 -0.114 0.000 2.358 223 V HA -0.217 3.884 4.120 -0.031 0.000 0.246 223 V C 3.050 179.108 176.094 -0.060 0.000 1.047 223 V CA 1.792 63.998 62.300 -0.156 0.000 1.035 223 V CB -1.140 30.504 31.823 -0.298 0.000 0.658 223 V HN 0.602 nan 8.190 nan 0.000 0.452 224 A N 0.424 123.216 122.820 -0.047 0.000 1.908 224 A HA -0.281 4.021 4.320 -0.031 0.000 0.218 224 A C 2.294 179.861 177.584 -0.028 0.000 1.181 224 A CA 2.277 54.293 52.037 -0.035 0.000 0.627 224 A CB -0.530 18.456 19.000 -0.024 0.000 0.818 224 A HN 0.470 nan 8.150 nan 0.000 0.445 225 R N -1.253 119.254 120.500 0.012 0.000 2.073 225 R HA -0.174 4.148 4.340 -0.031 0.000 0.234 225 R C 1.924 178.248 176.300 0.040 0.000 1.134 225 R CA 2.144 58.269 56.100 0.040 0.000 0.952 225 R CB -1.250 29.118 30.300 0.114 0.000 0.850 225 R HN 0.558 nan 8.270 nan 0.000 0.433 226 Y N 1.008 121.238 120.300 -0.118 0.000 2.081 226 Y HA -0.261 4.271 4.550 -0.031 0.000 0.280 226 Y C 2.121 177.870 175.900 -0.250 0.000 1.163 226 Y CA 2.479 60.355 58.100 -0.374 0.000 1.135 226 Y CB -0.197 37.752 38.460 -0.852 0.000 0.970 226 Y HN 0.061 nan 8.280 nan 0.000 0.498 227 R N -0.988 119.422 120.500 -0.151 0.000 2.081 227 R HA -0.128 4.193 4.340 -0.031 0.000 0.235 227 R C 2.308 178.476 176.300 -0.220 0.000 1.131 227 R CA 1.981 57.969 56.100 -0.186 0.000 0.960 227 R CB -0.756 29.492 30.300 -0.085 0.000 0.856 227 R HN 0.543 nan 8.270 nan 0.000 0.436 228 T N -1.522 112.922 114.554 -0.184 0.000 2.985 228 T HA -0.019 4.312 4.350 -0.031 0.000 0.266 228 T C 1.810 176.358 174.700 -0.254 0.000 1.076 228 T CA 0.900 62.892 62.100 -0.179 0.000 1.135 228 T CB 0.204 68.996 68.868 -0.127 0.000 0.890 228 T HN 0.177 nan 8.240 nan 0.000 0.480 229 K N -1.210 118.974 120.400 -0.359 0.000 2.367 229 K HA 0.227 4.529 4.320 -0.031 0.000 0.198 229 K C 1.229 177.352 176.600 -0.794 0.000 1.132 229 K CA -0.024 55.918 56.287 -0.575 0.000 0.941 229 K CB 0.424 32.505 32.500 -0.699 0.000 1.052 229 K HN 0.334 nan 8.250 nan 0.000 0.507 230 Y N 0.477 120.503 120.300 -0.457 0.000 2.558 230 Y HA 0.135 4.667 4.550 -0.030 0.000 0.273 230 Y C 2.287 177.759 175.900 -0.713 0.000 1.100 230 Y CA 0.047 57.801 58.100 -0.577 0.000 1.276 230 Y CB -0.010 38.046 38.460 -0.673 0.000 1.196 230 Y HN 0.056 nan 8.280 nan 0.000 0.527 231 Q N 1.481 120.797 119.800 -0.807 0.000 2.112 231 Q HA -0.221 4.100 4.340 -0.031 0.000 0.206 231 Q C 2.200 178.036 176.000 -0.272 0.000 0.987 231 Q CA 1.890 57.331 55.803 -0.603 0.000 0.858 231 Q CB -0.235 28.250 28.738 -0.421 0.000 0.905 231 Q HN 0.480 nan 8.270 nan 0.000 0.420 232 A N 0.818 123.498 122.820 -0.233 0.000 1.883 232 A HA -0.116 4.185 4.320 -0.031 0.000 0.217 232 A C 2.325 179.842 177.584 -0.112 0.000 1.186 232 A CA 2.397 54.345 52.037 -0.148 0.000 0.624 232 A CB -0.936 17.979 19.000 -0.141 0.000 0.822 232 A HN 0.558 nan 8.150 nan 0.000 0.444 233 A N -1.361 121.389 122.820 -0.115 0.000 1.898 233 A HA -0.074 4.227 4.320 -0.031 0.000 0.214 233 A C 2.114 179.672 177.584 -0.043 0.000 1.183 233 A CA 1.467 53.464 52.037 -0.067 0.000 0.622 233 A CB -0.353 18.615 19.000 -0.053 0.000 0.824 233 A HN 0.631 nan 8.150 nan 0.000 0.444 234 Q N -1.895 117.871 119.800 -0.056 0.000 2.297 234 Q HA 0.010 4.331 4.340 -0.031 0.000 0.203 234 Q C -0.247 175.762 176.000 0.016 0.000 0.931 234 Q CA 0.300 56.108 55.803 0.007 0.000 0.885 234 Q CB 0.321 29.099 28.738 0.067 0.000 0.991 234 Q HN 0.512 nan 8.270 nan 0.000 0.498 235 Q N -0.685 119.105 119.800 -0.018 0.000 2.468 235 Q HA -0.159 4.162 4.340 -0.031 0.000 0.289 235 Q C -0.045 175.962 176.000 0.011 0.000 1.299 235 Q CA 1.029 56.826 55.803 -0.009 0.000 0.838 235 Q CB -2.074 26.651 28.738 -0.023 0.000 1.195 235 Q HN 0.496 nan 8.270 nan 0.000 0.456 236 G N -0.311 108.561 108.800 0.120 0.000 2.828 236 G HA2 0.706 4.648 3.960 -0.031 0.000 0.244 236 G HA3 0.706 4.648 3.960 -0.031 0.000 0.244 236 G C -0.480 174.413 174.900 -0.013 0.000 1.365 236 G CA -0.623 44.486 45.100 0.016 0.000 1.041 236 G HN 0.023 nan 8.290 nan 0.000 0.560 237 K N -1.299 118.967 120.400 -0.222 0.000 2.469 237 K HA 0.603 4.904 4.320 -0.031 0.000 0.254 237 K C -1.619 174.692 176.600 -0.481 0.000 0.939 237 K CA -0.614 55.469 56.287 -0.340 0.000 0.812 237 K CB 3.006 35.329 32.500 -0.294 0.000 1.301 237 K HN 0.235 nan 8.250 nan 0.000 0.433 238 V N 1.365 120.917 119.914 -0.603 0.000 2.577 238 V HA 0.651 4.753 4.120 -0.031 0.000 0.303 238 V C 0.083 175.873 176.094 -0.507 0.000 1.042 238 V CA -0.654 61.346 62.300 -0.500 0.000 0.872 238 V CB 1.640 33.152 31.823 -0.518 0.000 0.998 238 V HN 1.001 nan 8.190 nan 0.000 0.423 239 G N 2.989 111.565 108.800 -0.373 0.000 3.262 239 G HA2 0.886 4.827 3.960 -0.031 0.000 0.229 239 G HA3 0.886 4.827 3.960 -0.031 0.000 0.229 239 G C -1.404 173.711 174.900 0.358 0.000 1.280 239 G CA -0.639 44.431 45.100 -0.051 0.000 0.951 239 G HN 0.700 nan 8.290 nan 0.000 0.589 240 I N -1.096 119.718 120.570 0.407 0.000 2.913 240 I HA 0.581 4.732 4.170 -0.031 0.000 0.302 240 I C -1.354 174.851 176.117 0.146 0.000 1.246 240 I CA -0.965 60.474 61.300 0.232 0.000 1.010 240 I CB 2.415 40.320 38.000 -0.157 0.000 1.259 240 I HN 0.287 nan 8.210 nan 0.000 0.434 241 V N 7.017 126.886 119.914 -0.074 0.000 2.370 241 V HA 0.482 4.583 4.120 -0.031 0.000 0.283 241 V C -0.348 175.600 176.094 -0.243 0.000 1.023 241 V CA -0.412 61.743 62.300 -0.243 0.000 0.857 241 V CB 1.352 32.904 31.823 -0.451 0.000 0.985 241 V HN 0.426 nan 8.190 nan 0.000 0.443 242 L N 5.023 126.146 121.223 -0.167 0.000 2.365 242 L HA 0.585 4.906 4.340 -0.031 0.000 0.273 242 L C -0.206 176.668 176.870 0.005 0.000 1.000 242 L CA -0.843 53.905 54.840 -0.153 0.000 0.819 242 L CB 2.087 44.079 42.059 -0.112 0.000 1.284 242 L HN 0.660 nan 8.230 nan 0.000 0.418 243 D N 1.618 122.051 120.400 0.055 0.000 2.345 243 D HA 0.223 4.845 4.640 -0.031 0.000 0.247 243 D C -1.019 175.601 176.300 0.534 0.000 1.108 243 D CA -0.088 54.068 54.000 0.260 0.000 0.894 243 D CB 2.331 43.277 40.800 0.243 0.000 1.203 243 D HN 0.181 nan 8.370 nan 0.000 0.430 244 F N 1.878 121.984 119.950 0.260 0.000 2.730 244 F HA 0.292 4.801 4.527 -0.031 0.000 0.335 244 F C -1.527 174.283 175.800 0.018 0.000 1.212 244 F CA -1.330 56.743 58.000 0.122 0.000 1.016 244 F CB 1.054 40.161 39.000 0.178 0.000 1.290 244 F HN 0.180 nan 8.300 nan 0.000 0.495 245 N N 4.458 123.053 118.700 -0.176 0.000 2.456 245 N HA 0.151 4.872 4.740 -0.031 0.000 0.296 245 N C -0.696 174.399 175.510 -0.692 0.000 1.102 245 N CA -0.350 52.522 53.050 -0.296 0.000 0.924 245 N CB 1.804 40.245 38.487 -0.076 0.000 1.186 245 N HN 0.747 nan 8.380 nan 0.000 0.492 246 W N 2.369 123.213 121.300 -0.761 0.000 2.218 246 W HA 0.211 4.852 4.660 -0.031 0.000 0.326 246 W C -1.191 174.916 176.519 -0.686 0.000 1.276 246 W CA -0.159 56.756 57.345 -0.716 0.000 1.210 246 W CB 0.432 29.602 29.460 -0.483 0.000 1.143 246 W HN 0.440 nan 8.180 nan 0.000 0.563 247 Y N 3.573 123.132 120.300 -1.235 0.000 2.331 247 Y HA 0.170 4.701 4.550 -0.031 0.000 0.334 247 Y C -0.382 174.815 175.900 -1.173 0.000 0.960 247 Y CA -0.924 56.634 58.100 -0.903 0.000 1.130 247 Y CB 1.851 39.972 38.460 -0.566 0.000 1.164 247 Y HN 0.373 nan 8.280 nan 0.000 0.458 248 E N 2.294 122.266 120.200 -0.379 0.000 2.187 248 E HA 0.721 5.052 4.350 -0.031 0.000 0.268 248 E C -0.914 175.767 176.600 0.135 0.000 0.896 248 E CA -0.747 55.660 56.400 0.011 0.000 0.766 248 E CB 1.328 31.300 29.700 0.455 0.000 1.142 248 E HN 0.708 nan 8.360 nan 0.000 0.408 249 A N 4.274 127.155 122.820 0.101 0.000 2.540 249 A HA 0.027 4.328 4.320 -0.031 0.000 0.239 249 A C 0.900 178.561 177.584 0.127 0.000 1.061 249 A CA -0.109 51.976 52.037 0.079 0.000 0.758 249 A CB 0.115 19.148 19.000 0.054 0.000 0.991 249 A HN 0.877 nan 8.150 nan 0.000 0.502 250 L N 2.856 124.114 121.223 0.057 0.000 2.083 250 L HA 0.001 4.322 4.340 -0.031 0.000 0.209 250 L C 1.288 178.103 176.870 -0.091 0.000 1.083 250 L CA 2.572 57.376 54.840 -0.060 0.000 0.752 250 L CB -0.450 41.562 42.059 -0.077 0.000 0.899 250 L HN 0.966 nan 8.230 nan 0.000 0.433 251 S N -2.894 112.784 115.700 -0.036 0.000 2.720 251 S HA 0.295 4.746 4.470 -0.031 0.000 0.287 251 S C 0.203 174.802 174.600 -0.002 0.000 1.168 251 S CA -0.432 57.750 58.200 -0.030 0.000 0.832 251 S CB 0.819 63.997 63.200 -0.036 0.000 1.166 251 S HN 0.074 nan 8.310 nan 0.000 0.493 252 N N 1.364 120.064 118.700 0.001 0.000 2.434 252 N HA 0.125 4.847 4.740 -0.031 0.000 0.196 252 N C 0.436 175.951 175.510 0.009 0.000 1.183 252 N CA 0.325 53.382 53.050 0.013 0.000 0.849 252 N CB -0.270 38.225 38.487 0.014 0.000 0.992 252 N HN 0.725 nan 8.380 nan 0.000 0.460 253 S N -1.907 113.794 115.700 0.001 0.000 2.573 253 S HA 0.001 4.452 4.470 -0.031 0.000 0.277 253 S C 1.403 176.005 174.600 0.004 0.000 1.346 253 S CA -0.115 58.086 58.200 0.000 0.000 1.034 253 S CB 0.857 64.053 63.200 -0.006 0.000 0.879 253 S HN 0.207 nan 8.310 nan 0.000 0.528 254 T N 1.848 116.405 114.554 0.004 0.000 2.720 254 T HA -0.160 4.172 4.350 -0.031 0.000 0.268 254 T C 1.789 176.490 174.700 0.002 0.000 1.037 254 T CA 1.860 63.964 62.100 0.007 0.000 1.144 254 T CB -0.521 68.350 68.868 0.006 0.000 0.864 254 T HN 0.951 nan 8.240 nan 0.000 0.444 255 E N 1.007 121.205 120.200 -0.003 0.000 2.152 255 E HA -0.150 4.182 4.350 -0.031 0.000 0.192 255 E C 1.364 177.955 176.600 -0.015 0.000 0.983 255 E CA 1.225 57.620 56.400 -0.009 0.000 0.818 255 E CB -0.161 29.532 29.700 -0.011 0.000 0.758 255 E HN 0.303 nan 8.360 nan 0.000 0.467 256 D N 0.862 121.254 120.400 -0.013 0.000 2.149 256 D HA -0.115 4.506 4.640 -0.031 0.000 0.201 256 D C 2.085 178.377 176.300 -0.014 0.000 0.972 256 D CA 0.821 54.810 54.000 -0.018 0.000 0.835 256 D CB -0.168 40.623 40.800 -0.014 0.000 0.966 256 D HN 0.187 nan 8.370 nan 0.000 0.476 257 Q N 0.413 120.214 119.800 0.001 0.000 2.124 257 Q HA -0.035 4.286 4.340 -0.031 0.000 0.202 257 Q C 2.163 178.164 176.000 0.002 0.000 0.977 257 Q CA 1.094 56.905 55.803 0.013 0.000 0.850 257 Q CB -0.312 28.444 28.738 0.030 0.000 0.901 257 Q HN 0.248 nan 8.270 nan 0.000 0.429 258 A N 0.954 123.773 122.820 -0.003 0.000 1.930 258 A HA -0.048 4.254 4.320 -0.031 0.000 0.217 258 A C 2.318 179.883 177.584 -0.031 0.000 1.175 258 A CA 1.727 53.760 52.037 -0.006 0.000 0.627 258 A CB -0.553 18.445 19.000 -0.003 0.000 0.815 258 A HN 0.357 nan 8.150 nan 0.000 0.443 259 A N -0.075 122.716 122.820 -0.047 0.000 1.898 259 A HA 0.194 4.495 4.320 -0.031 0.000 0.216 259 A C 2.508 180.012 177.584 -0.133 0.000 1.181 259 A CA 1.974 53.962 52.037 -0.082 0.000 0.620 259 A CB -1.029 17.922 19.000 -0.081 0.000 0.819 259 A HN 1.032 nan 8.150 nan 0.000 0.442 260 A N -0.908 121.840 122.820 -0.120 0.000 1.908 260 A HA -0.216 4.086 4.320 -0.031 0.000 0.218 260 A C 2.162 179.634 177.584 -0.186 0.000 1.181 260 A CA 2.195 54.129 52.037 -0.171 0.000 0.627 260 A CB -0.500 18.422 19.000 -0.130 0.000 0.818 260 A HN 0.537 nan 8.150 nan 0.000 0.445 261 Q N -0.228 119.514 119.800 -0.097 0.000 2.119 261 Q HA -0.061 4.260 4.340 -0.031 0.000 0.201 261 Q C 2.161 178.126 176.000 -0.058 0.000 0.972 261 Q CA 1.666 57.441 55.803 -0.046 0.000 0.847 261 Q CB -0.311 28.447 28.738 0.033 0.000 0.903 261 Q HN 0.634 nan 8.270 nan 0.000 0.433 262 R N -0.602 119.857 120.500 -0.068 0.000 2.083 262 R HA -0.116 4.206 4.340 -0.031 0.000 0.237 262 R C 2.161 178.356 176.300 -0.175 0.000 1.137 262 R CA 1.269 57.346 56.100 -0.038 0.000 0.951 262 R CB -0.489 29.799 30.300 -0.021 0.000 0.851 262 R HN 0.373 nan 8.270 nan 0.000 0.434 263 A N 1.104 123.704 122.820 -0.366 0.000 1.883 263 A HA -0.222 4.080 4.320 -0.031 0.000 0.217 263 A C 2.117 179.343 177.584 -0.596 0.000 1.186 263 A CA 1.535 53.117 52.037 -0.759 0.000 0.624 263 A CB -0.463 17.866 19.000 -1.118 0.000 0.822 263 A HN 0.280 nan 8.150 nan 0.000 0.444 264 R N -0.454 119.892 120.500 -0.257 0.000 2.083 264 R HA -0.140 4.181 4.340 -0.031 0.000 0.237 264 R C 1.779 178.092 176.300 0.021 0.000 1.137 264 R CA 1.607 57.710 56.100 0.005 0.000 0.951 264 R CB -0.434 29.776 30.300 -0.150 0.000 0.851 264 R HN 0.504 nan 8.270 nan 0.000 0.434 265 D N -0.137 120.252 120.400 -0.018 0.000 2.117 265 D HA -0.133 4.488 4.640 -0.031 0.000 0.197 265 D C 1.627 177.838 176.300 -0.148 0.000 0.987 265 D CA 1.218 55.209 54.000 -0.015 0.000 0.829 265 D CB -0.139 40.634 40.800 -0.045 0.000 0.961 265 D HN 0.125 nan 8.370 nan 0.000 0.460 266 F N -0.339 119.326 119.950 -0.475 0.000 2.502 266 F HA -0.028 4.480 4.527 -0.031 0.000 0.298 266 F C 2.287 177.910 175.800 -0.297 0.000 1.111 266 F CA 0.755 58.342 58.000 -0.688 0.000 1.445 266 F CB -0.052 37.900 39.000 -1.747 0.000 1.081 266 F HN 0.100 nan 8.300 nan 0.000 0.558 267 H N -1.394 117.614 119.070 -0.103 0.000 2.300 267 H HA 0.020 4.557 4.556 -0.031 0.000 0.312 267 H C 1.933 177.493 175.328 0.386 0.000 1.057 267 H CA 1.434 57.676 56.048 0.324 0.000 1.380 267 H CB 0.103 30.158 29.762 0.488 0.000 1.424 267 H HN 0.078 nan 8.280 nan 0.000 0.534 268 I N -0.074 120.721 120.570 0.375 0.000 3.172 268 I HA 0.222 4.373 4.170 -0.031 0.000 0.278 268 I C 2.297 178.500 176.117 0.143 0.000 1.174 268 I CA 1.055 62.439 61.300 0.139 0.000 1.445 268 I CB -0.230 37.408 38.000 -0.603 0.000 1.175 268 I HN 0.379 nan 8.210 nan 0.000 0.447 269 G N -0.001 108.902 108.800 0.171 0.000 2.432 269 G HA2 -0.305 3.636 3.960 -0.031 0.000 0.219 269 G HA3 -0.305 3.636 3.960 -0.031 0.000 0.219 269 G C 1.458 176.480 174.900 0.205 0.000 1.135 269 G CA 0.645 45.871 45.100 0.209 0.000 0.767 269 G HN 0.489 nan 8.290 nan 0.000 0.550 270 W N 1.050 122.316 121.300 -0.058 0.000 2.274 270 W HA -0.216 4.426 4.660 -0.031 0.000 0.314 270 W C 1.887 178.218 176.519 -0.315 0.000 1.254 270 W CA 1.504 58.736 57.345 -0.188 0.000 1.265 270 W CB -0.588 28.683 29.460 -0.315 0.000 1.141 270 W HN 0.409 nan 8.180 nan 0.000 0.505 271 Y N -2.357 118.033 120.300 0.151 0.000 2.559 271 Y HA 0.120 4.652 4.550 -0.030 0.000 0.279 271 Y C 2.471 178.288 175.900 -0.139 0.000 1.117 271 Y CA 0.561 58.619 58.100 -0.071 0.000 1.263 271 Y CB -0.872 37.475 38.460 -0.189 0.000 1.230 271 Y HN -0.264 nan 8.280 nan 0.000 0.528 272 L N -0.135 121.050 121.223 -0.063 0.000 2.131 272 L HA -0.157 4.164 4.340 -0.031 0.000 0.206 272 L C 1.691 178.367 176.870 -0.322 0.000 1.087 272 L CA 1.163 55.797 54.840 -0.343 0.000 0.767 272 L CB -0.260 41.336 42.059 -0.771 0.000 0.917 272 L HN 0.299 nan 8.230 nan 0.000 0.441 273 D N 0.007 120.349 120.400 -0.097 0.000 2.097 273 D HA -0.141 4.481 4.640 -0.031 0.000 0.195 273 D C -0.537 175.610 176.300 -0.255 0.000 0.989 273 D CA 1.429 55.395 54.000 -0.056 0.000 0.827 273 D CB -1.090 39.739 40.800 0.048 0.000 0.966 273 D HN 0.255 nan 8.370 nan 0.000 0.456 274 P HA -0.097 nan 4.420 nan 0.000 0.215 274 P C 1.830 178.934 177.300 -0.328 0.000 1.157 274 P CA 0.847 63.719 63.100 -0.381 0.000 0.868 274 P CB -0.065 31.384 31.700 -0.420 0.000 0.788 275 L N -1.627 119.454 121.223 -0.237 0.000 2.141 275 L HA -0.122 4.200 4.340 -0.031 0.000 0.209 275 L C 2.187 178.960 176.870 -0.161 0.000 1.094 275 L CA 1.118 55.843 54.840 -0.191 0.000 0.763 275 L CB -0.565 41.388 42.059 -0.177 0.000 0.908 275 L HN -0.029 nan 8.230 nan 0.000 0.437 276 I N -0.829 119.641 120.570 -0.167 0.000 2.628 276 I HA -0.052 4.100 4.170 -0.031 0.000 0.255 276 I C 1.411 177.481 176.117 -0.080 0.000 1.119 276 I CA 1.016 62.263 61.300 -0.088 0.000 1.448 276 I CB -0.658 37.331 38.000 -0.017 0.000 1.133 276 I HN 0.303 nan 8.210 nan 0.000 0.438 277 N N 0.321 118.929 118.700 -0.155 0.000 2.197 277 N HA 0.124 4.845 4.740 -0.031 0.000 0.201 277 N C 1.345 176.707 175.510 -0.247 0.000 1.148 277 N CA 0.908 53.842 53.050 -0.193 0.000 0.883 277 N CB 1.169 39.477 38.487 -0.299 0.000 1.012 277 N HN 0.371 nan 8.380 nan 0.000 0.507 278 G N 1.381 110.007 108.800 -0.290 0.000 2.153 278 G HA2 -0.266 3.676 3.960 -0.031 0.000 0.252 278 G HA3 -0.266 3.676 3.960 -0.031 0.000 0.252 278 G C -0.260 174.520 174.900 -0.200 0.000 0.994 278 G CA 1.112 46.053 45.100 -0.267 0.000 0.698 278 G HN 0.725 nan 8.290 nan 0.000 0.521 279 H N -3.547 115.445 119.070 -0.131 0.000 3.017 279 H HA 0.684 5.221 4.556 -0.031 0.000 0.346 279 H C -0.615 174.713 175.328 0.001 0.000 1.286 279 H CA -1.702 54.321 56.048 -0.041 0.000 1.120 279 H CB 0.282 30.070 29.762 0.043 0.000 1.860 279 H HN 0.061 nan 8.280 nan 0.000 0.542 280 Y N 0.612 121.128 120.300 0.360 0.000 2.379 280 Y HA 0.262 4.794 4.550 -0.031 0.000 0.337 280 Y C -1.959 174.094 175.900 0.254 0.000 1.238 280 Y CA -2.075 56.173 58.100 0.248 0.000 1.405 280 Y CB 0.199 38.773 38.460 0.190 0.000 1.310 280 Y HN 0.550 nan 8.280 nan 0.000 0.569 281 P HA -0.083 nan 4.420 nan 0.000 0.264 281 P C 0.252 177.608 177.300 0.094 0.000 1.183 281 P CA 0.257 63.462 63.100 0.175 0.000 0.763 281 P CB 0.666 32.374 31.700 0.013 0.000 0.807 282 Q N 3.523 123.370 119.800 0.079 0.000 2.112 282 Q HA -0.201 4.120 4.340 -0.031 0.000 0.206 282 Q C 1.570 177.552 176.000 -0.029 0.000 0.987 282 Q CA 1.842 57.651 55.803 0.011 0.000 0.858 282 Q CB -1.039 27.696 28.738 -0.004 0.000 0.905 282 Q HN 0.422 nan 8.270 nan 0.000 0.420 283 I N -0.495 120.049 120.570 -0.044 0.000 2.286 283 I HA -0.229 3.923 4.170 -0.031 0.000 0.248 283 I C 1.840 177.880 176.117 -0.129 0.000 1.115 283 I CA 1.415 62.688 61.300 -0.045 0.000 1.392 283 I CB -0.153 37.852 38.000 0.009 0.000 1.065 283 I HN 0.324 nan 8.210 nan 0.000 0.418 284 M N -0.904 118.482 119.600 -0.358 0.000 2.132 284 M HA -0.237 4.224 4.480 -0.031 0.000 0.263 284 M C 2.233 178.367 176.300 -0.277 0.000 1.065 284 M CA 1.668 56.643 55.300 -0.541 0.000 1.122 284 M CB -0.603 31.506 32.600 -0.819 0.000 1.365 284 M HN 0.260 nan 8.290 nan 0.000 0.411 285 Q N 0.504 120.209 119.800 -0.158 0.000 2.096 285 Q HA -0.195 4.127 4.340 -0.031 0.000 0.204 285 Q C 1.595 177.546 176.000 -0.081 0.000 0.982 285 Q CA 1.380 57.126 55.803 -0.096 0.000 0.850 285 Q CB -0.211 28.516 28.738 -0.019 0.000 0.901 285 Q HN 0.487 nan 8.270 nan 0.000 0.422 286 D N 0.267 120.633 120.400 -0.056 0.000 2.144 286 D HA -0.085 4.537 4.640 -0.031 0.000 0.200 286 D C 1.822 178.110 176.300 -0.020 0.000 0.978 286 D CA 1.006 54.988 54.000 -0.030 0.000 0.833 286 D CB 0.065 40.858 40.800 -0.011 0.000 0.961 286 D HN 0.214 nan 8.370 nan 0.000 0.470 287 L N -0.266 120.957 121.223 -0.000 0.000 2.357 287 L HA 0.039 4.360 4.340 -0.031 0.000 0.211 287 L C 2.143 179.015 176.870 0.003 0.000 1.075 287 L CA 0.249 55.114 54.840 0.043 0.000 0.830 287 L CB 0.258 42.417 42.059 0.166 0.000 0.996 287 L HN -0.108 nan 8.230 nan 0.000 0.467 288 V N -1.079 118.791 119.914 -0.073 0.000 2.992 288 V HA -0.008 4.093 4.120 -0.031 0.000 0.250 288 V C 1.269 177.237 176.094 -0.211 0.000 1.090 288 V CA 0.495 62.673 62.300 -0.203 0.000 1.101 288 V CB -0.166 31.354 31.823 -0.505 0.000 0.743 288 V HN 0.385 nan 8.190 nan 0.000 0.468 289 K N 0.454 120.754 120.400 -0.166 0.000 1.751 289 K HA -0.329 3.972 4.320 -0.031 0.000 0.134 289 K C 1.320 177.834 176.600 -0.143 0.000 1.167 289 K CA 1.875 58.090 56.287 -0.121 0.000 0.330 289 K CB -1.544 30.909 32.500 -0.078 0.000 0.663 289 K HN 0.552 nan 8.250 nan 0.000 0.817 290 D N 1.293 121.628 120.400 -0.108 0.000 2.263 290 D HA -0.156 4.466 4.640 -0.031 0.000 0.208 290 D C 1.519 177.741 176.300 -0.130 0.000 0.971 290 D CA 1.445 55.385 54.000 -0.100 0.000 0.867 290 D CB -0.206 40.554 40.800 -0.065 0.000 0.929 290 D HN 0.335 nan 8.370 nan 0.000 0.492 291 R N -0.590 119.810 120.500 -0.166 0.000 2.276 291 R HA 0.128 4.450 4.340 -0.031 0.000 0.203 291 R C 0.355 176.461 176.300 -0.324 0.000 1.017 291 R CA -0.232 55.758 56.100 -0.183 0.000 1.010 291 R CB 0.029 30.240 30.300 -0.148 0.000 0.900 291 R HN 0.131 nan 8.270 nan 0.000 0.469 292 L N 2.108 123.087 121.223 -0.407 0.000 2.257 292 L HA 0.336 4.657 4.340 -0.031 0.000 0.290 292 L C -2.402 174.280 176.870 -0.313 0.000 1.044 292 L CA -2.415 52.141 54.840 -0.473 0.000 0.810 292 L CB 0.961 42.686 42.059 -0.557 0.000 1.193 292 L HN -0.202 nan 8.230 nan 0.000 0.425 293 P HA 0.149 nan 4.420 nan 0.000 0.270 293 P C -1.411 175.689 177.300 -0.332 0.000 1.223 293 P CA -0.186 62.627 63.100 -0.478 0.000 0.785 293 P CB 0.445 31.516 31.700 -1.048 0.000 0.923 294 K N 1.557 121.818 120.400 -0.232 0.000 2.235 294 K HA 0.413 4.715 4.320 -0.031 0.000 0.266 294 K C -0.644 175.964 176.600 0.013 0.000 0.980 294 K CA -0.333 55.937 56.287 -0.029 0.000 0.849 294 K CB 0.257 32.766 32.500 0.015 0.000 1.098 294 K HN 0.242 nan 8.250 nan 0.000 0.445 295 F N 1.744 121.847 119.950 0.255 0.000 2.529 295 F HA 0.034 4.542 4.527 -0.031 0.000 0.365 295 F C 1.514 177.376 175.800 0.103 0.000 1.102 295 F CA -0.172 57.937 58.000 0.182 0.000 1.271 295 F CB 0.365 39.402 39.000 0.062 0.000 1.120 295 F HN 0.489 nan 8.300 nan 0.000 0.579 296 T N 1.193 115.912 114.554 0.275 0.000 2.856 296 T HA 0.134 4.465 4.350 -0.031 0.000 0.306 296 T C -1.813 172.975 174.700 0.147 0.000 1.062 296 T CA -1.414 60.786 62.100 0.167 0.000 1.083 296 T CB 1.006 69.947 68.868 0.121 0.000 0.984 296 T HN 0.322 nan 8.240 nan 0.000 0.542 297 P HA -0.121 nan 4.420 nan 0.000 0.216 297 P C 1.301 178.625 177.300 0.040 0.000 1.154 297 P CA 1.213 64.348 63.100 0.060 0.000 0.865 297 P CB 0.040 31.766 31.700 0.043 0.000 0.789 298 E N -0.609 119.618 120.200 0.045 0.000 2.072 298 E HA -0.181 4.151 4.350 -0.031 0.000 0.191 298 E C 2.170 178.786 176.600 0.027 0.000 0.985 298 E CA 1.204 57.622 56.400 0.030 0.000 0.801 298 E CB -0.887 28.833 29.700 0.033 0.000 0.750 298 E HN 0.377 nan 8.360 nan 0.000 0.452 299 Q N 0.106 119.948 119.800 0.070 0.000 2.050 299 Q HA -0.110 4.211 4.340 -0.031 0.000 0.202 299 Q C 2.244 178.201 176.000 -0.073 0.000 0.980 299 Q CA 1.542 57.392 55.803 0.079 0.000 0.840 299 Q CB -0.292 28.602 28.738 0.260 0.000 0.898 299 Q HN 0.324 nan 8.270 nan 0.000 0.424 300 A N 1.065 123.829 122.820 -0.093 0.000 1.908 300 A HA -0.236 4.066 4.320 -0.031 0.000 0.218 300 A C 2.063 179.517 177.584 -0.216 0.000 1.181 300 A CA 1.773 53.634 52.037 -0.294 0.000 0.627 300 A CB -0.433 18.499 19.000 -0.114 0.000 0.818 300 A HN 0.123 nan 8.150 nan 0.000 0.445 301 R N -0.722 119.715 120.500 -0.105 0.000 2.148 301 R HA 0.013 4.335 4.340 -0.031 0.000 0.227 301 R C 1.774 178.025 176.300 -0.081 0.000 1.103 301 R CA 1.229 57.283 56.100 -0.078 0.000 0.983 301 R CB -0.818 29.459 30.300 -0.039 0.000 0.874 301 R HN 0.432 nan 8.270 nan 0.000 0.451 302 L N -0.567 120.608 121.223 -0.080 0.000 2.072 302 L HA -0.039 4.282 4.340 -0.031 0.000 0.205 302 L C 1.916 178.734 176.870 -0.086 0.000 1.079 302 L CA 1.326 56.128 54.840 -0.064 0.000 0.752 302 L CB -0.269 41.770 42.059 -0.034 0.000 0.906 302 L HN 0.015 nan 8.230 nan 0.000 0.436 303 V N -0.684 119.129 119.914 -0.168 0.000 2.323 303 V HA -0.194 3.907 4.120 -0.031 0.000 0.244 303 V C 1.417 177.406 176.094 -0.174 0.000 1.041 303 V CA 1.005 63.182 62.300 -0.206 0.000 1.025 303 V CB -0.640 30.888 31.823 -0.491 0.000 0.656 303 V HN 0.342 nan 8.190 nan 0.000 0.451 304 K N 0.530 120.811 120.400 -0.199 0.000 2.451 304 K HA 0.244 4.545 4.320 -0.031 0.000 0.280 304 K C 1.067 177.614 176.600 -0.090 0.000 1.020 304 K CA 0.819 57.015 56.287 -0.152 0.000 1.008 304 K CB 0.239 32.657 32.500 -0.137 0.000 0.917 304 K HN 0.480 nan 8.250 nan 0.000 0.478 305 G N 2.499 111.257 108.800 -0.071 0.000 2.155 305 G HA2 -0.325 3.616 3.960 -0.031 0.000 0.257 305 G HA3 -0.325 3.616 3.960 -0.031 0.000 0.257 305 G C 0.541 175.424 174.900 -0.029 0.000 0.983 305 G CA 0.783 45.856 45.100 -0.045 0.000 0.676 305 G HN 0.787 nan 8.290 nan 0.000 0.528 306 S N -1.163 114.535 115.700 -0.004 0.000 2.603 306 S HA 0.624 5.076 4.470 -0.031 0.000 0.220 306 S C 1.018 175.720 174.600 0.170 0.000 0.967 306 S CA 1.085 59.319 58.200 0.056 0.000 0.920 306 S CB 0.506 63.768 63.200 0.103 0.000 0.773 306 S HN 1.871 nan 8.310 nan 0.000 0.529 307 A N 1.123 123.994 122.820 0.084 0.000 2.291 307 A HA 0.563 4.865 4.320 -0.031 0.000 0.311 307 A C 0.327 177.851 177.584 -0.099 0.000 1.224 307 A CA -0.706 51.350 52.037 0.031 0.000 0.821 307 A CB 0.771 19.763 19.000 -0.013 0.000 1.172 307 A HN 0.133 nan 8.150 nan 0.000 0.494 308 D N 0.675 120.912 120.400 -0.270 0.000 2.219 308 D HA 0.017 4.638 4.640 -0.031 0.000 0.205 308 D C -0.128 176.019 176.300 -0.255 0.000 0.970 308 D CA 2.128 55.928 54.000 -0.334 0.000 0.851 308 D CB -0.076 40.421 40.800 -0.504 0.000 0.943 308 D HN 0.677 nan 8.370 nan 0.000 0.488 309 Y N -1.813 118.509 120.300 0.038 0.000 2.609 309 Y HA 0.491 5.022 4.550 -0.031 0.000 0.336 309 Y C -1.064 174.904 175.900 0.113 0.000 1.129 309 Y CA -1.735 56.414 58.100 0.081 0.000 1.040 309 Y CB 0.759 39.284 38.460 0.109 0.000 1.310 309 Y HN -0.370 nan 8.280 nan 0.000 0.460 310 I N 2.495 123.273 120.570 0.346 0.000 2.330 310 I HA 0.475 4.627 4.170 -0.031 0.000 0.289 310 I C 0.625 176.901 176.117 0.265 0.000 1.001 310 I CA -0.693 60.750 61.300 0.238 0.000 1.193 310 I CB 0.923 38.989 38.000 0.111 0.000 1.345 310 I HN 0.930 nan 8.210 nan 0.000 0.461 311 G N 7.371 116.330 108.800 0.266 0.000 2.370 311 G HA2 0.523 4.464 3.960 -0.031 0.000 0.272 311 G HA3 0.523 4.464 3.960 -0.031 0.000 0.272 311 G C -0.309 174.596 174.900 0.009 0.000 1.208 311 G CA -0.285 44.859 45.100 0.073 0.000 0.856 311 G HN 0.396 nan 8.290 nan 0.000 0.500 312 I N 2.428 123.021 120.570 0.038 0.000 2.382 312 I HA 0.205 4.356 4.170 -0.031 0.000 0.286 312 I C -0.778 175.365 176.117 0.044 0.000 1.002 312 I CA -1.285 60.071 61.300 0.094 0.000 1.135 312 I CB 1.561 39.688 38.000 0.212 0.000 1.288 312 I HN 0.303 nan 8.210 nan 0.000 0.448 313 N N 5.998 124.720 118.700 0.036 0.000 2.406 313 N HA 0.174 4.895 4.740 -0.031 0.000 0.251 313 N C -0.192 175.370 175.510 0.086 0.000 1.069 313 N CA -0.139 52.915 53.050 0.006 0.000 0.947 313 N CB 1.111 39.624 38.487 0.044 0.000 1.111 313 N HN 0.414 nan 8.380 nan 0.000 0.497 314 Q N 2.488 122.266 119.800 -0.037 0.000 2.327 314 Q HA 0.264 4.585 4.340 -0.031 0.000 0.270 314 Q C -0.727 175.269 176.000 -0.006 0.000 1.022 314 Q CA -0.336 55.512 55.803 0.075 0.000 0.773 314 Q CB 0.965 29.781 28.738 0.130 0.000 1.251 314 Q HN 0.624 nan 8.270 nan 0.000 0.457 315 Y N 0.846 121.341 120.300 0.325 0.000 2.701 315 Y HA 0.216 4.748 4.550 -0.031 0.000 0.275 315 Y C 1.042 177.225 175.900 0.471 0.000 1.133 315 Y CA 0.215 58.574 58.100 0.431 0.000 1.241 315 Y CB 1.443 40.250 38.460 0.579 0.000 1.389 315 Y HN 0.511 nan 8.280 nan 0.000 0.486 316 T N -0.736 114.135 114.554 0.527 0.000 2.671 316 T HA 0.825 5.156 4.350 -0.031 0.000 0.300 316 T C -1.924 172.853 174.700 0.129 0.000 1.238 316 T CA -0.119 62.219 62.100 0.398 0.000 1.020 316 T CB 1.341 70.539 68.868 0.551 0.000 1.503 316 T HN 0.142 nan 8.240 nan 0.000 0.497 317 A N 0.813 123.648 122.820 0.026 0.000 2.572 317 A HA 0.821 5.122 4.320 -0.031 0.000 0.295 317 A C -1.064 176.409 177.584 -0.186 0.000 1.072 317 A CA -0.566 51.354 52.037 -0.196 0.000 0.691 317 A CB 1.756 20.505 19.000 -0.418 0.000 1.291 317 A HN 0.798 nan 8.150 nan 0.000 0.404 318 S N -0.360 115.148 115.700 -0.319 0.000 2.570 318 S HA 0.700 5.152 4.470 -0.031 0.000 0.286 318 S C -1.412 172.937 174.600 -0.419 0.000 1.099 318 S CA -0.398 57.562 58.200 -0.400 0.000 0.913 318 S CB 0.855 63.923 63.200 -0.220 0.000 1.085 318 S HN 0.487 nan 8.310 nan 0.000 0.480 319 Y N 1.434 121.583 120.300 -0.252 0.000 2.304 319 Y HA 0.480 5.012 4.550 -0.031 0.000 0.327 319 Y C 0.548 176.322 175.900 -0.210 0.000 1.209 319 Y CA -0.458 57.555 58.100 -0.144 0.000 1.299 319 Y CB 0.541 38.948 38.460 -0.089 0.000 1.249 319 Y HN 0.294 nan 8.280 nan 0.000 0.519 320 M N 3.025 122.635 119.600 0.018 0.000 2.311 320 M HA 0.326 4.788 4.480 -0.031 0.000 0.325 320 M C -0.735 175.532 176.300 -0.055 0.000 1.061 320 M CA -0.867 54.371 55.300 -0.102 0.000 0.957 320 M CB 1.949 34.448 32.600 -0.168 0.000 1.646 320 M HN 0.601 nan 8.290 nan 0.000 0.434 321 K N 0.831 121.190 120.400 -0.068 0.000 2.221 321 K HA 0.739 5.041 4.320 -0.031 0.000 0.258 321 K C 0.031 176.599 176.600 -0.053 0.000 0.944 321 K CA -0.380 55.880 56.287 -0.046 0.000 0.823 321 K CB 1.919 34.401 32.500 -0.029 0.000 1.113 321 K HN 0.873 nan 8.250 nan 0.000 0.431 322 G N 1.503 110.278 108.800 -0.041 0.000 2.671 322 G HA2 0.498 4.440 3.960 -0.031 0.000 0.275 322 G HA3 0.498 4.440 3.960 -0.031 0.000 0.275 322 G C -1.216 173.667 174.900 -0.029 0.000 1.368 322 G CA -0.358 44.718 45.100 -0.039 0.000 1.044 322 G HN 0.670 nan 8.290 nan 0.000 0.543 323 Q N -1.650 118.134 119.800 -0.026 0.000 2.776 323 Q HA 0.236 4.558 4.340 -0.031 0.000 0.289 323 Q C -1.594 174.395 176.000 -0.018 0.000 0.912 323 Q CA -0.953 54.837 55.803 -0.021 0.000 0.789 323 Q CB 0.907 29.631 28.738 -0.024 0.000 1.498 323 Q HN 0.398 nan 8.270 nan 0.000 0.408 324 Q N 1.247 121.039 119.800 -0.014 0.000 2.313 324 Q HA 0.290 4.611 4.340 -0.031 0.000 0.266 324 Q C -0.462 175.530 176.000 -0.014 0.000 0.989 324 Q CA 0.015 55.811 55.803 -0.012 0.000 0.890 324 Q CB 0.711 29.444 28.738 -0.009 0.000 1.200 324 Q HN 0.563 nan 8.270 nan 0.000 0.396 325 L N 4.336 125.552 121.223 -0.011 0.000 2.513 325 L HA 0.011 4.333 4.340 -0.031 0.000 0.272 325 L C 0.264 177.128 176.870 -0.011 0.000 1.187 325 L CA 0.437 55.270 54.840 -0.012 0.000 0.895 325 L CB 0.158 42.214 42.059 -0.005 0.000 1.147 325 L HN 0.413 nan 8.230 nan 0.000 0.483 326 M N 2.856 122.448 119.600 -0.014 0.000 2.508 326 M HA 0.290 4.751 4.480 -0.031 0.000 0.327 326 M C -0.334 175.959 176.300 -0.012 0.000 1.160 326 M CA -0.915 54.377 55.300 -0.013 0.000 0.980 326 M CB 1.582 34.173 32.600 -0.016 0.000 1.693 326 M HN 0.395 nan 8.290 nan 0.000 0.452 327 Q N 1.991 121.785 119.800 -0.010 0.000 2.296 327 Q HA 0.233 4.555 4.340 -0.031 0.000 0.262 327 Q C -1.407 174.587 176.000 -0.011 0.000 0.981 327 Q CA 0.760 56.558 55.803 -0.010 0.000 0.905 327 Q CB 0.748 29.481 28.738 -0.008 0.000 1.186 327 Q HN 0.569 nan 8.270 nan 0.000 0.399 328 Q N 2.037 121.831 119.800 -0.011 0.000 2.331 328 Q HA 0.359 4.680 4.340 -0.031 0.000 0.272 328 Q C -1.101 174.894 176.000 -0.009 0.000 1.062 328 Q CA -0.738 55.057 55.803 -0.012 0.000 0.806 328 Q CB 2.221 30.948 28.738 -0.018 0.000 1.312 328 Q HN 0.621 nan 8.270 nan 0.000 0.431 329 T N 4.164 118.713 114.554 -0.008 0.000 2.867 329 T HA 0.125 4.456 4.350 -0.031 0.000 0.297 329 T C -2.255 172.445 174.700 -0.001 0.000 0.989 329 T CA -0.606 61.491 62.100 -0.004 0.000 1.159 329 T CB -0.016 68.850 68.868 -0.003 0.000 0.928 329 T HN 0.244 nan 8.240 nan 0.000 0.538 330 P HA 0.183 nan 4.420 nan 0.000 0.271 330 P C 0.783 178.097 177.300 0.023 0.000 1.216 330 P CA -0.251 62.861 63.100 0.020 0.000 0.771 330 P CB 0.704 32.422 31.700 0.030 0.000 0.864 331 T N -1.644 112.924 114.554 0.023 0.000 3.075 331 T HA 0.269 4.601 4.350 -0.031 0.000 0.251 331 T C 0.458 175.180 174.700 0.036 0.000 0.979 331 T CA 0.422 62.533 62.100 0.018 0.000 1.033 331 T CB -0.089 68.776 68.868 -0.005 0.000 1.104 331 T HN 0.521 nan 8.240 nan 0.000 0.473 332 S N -0.601 115.123 115.700 0.041 0.000 2.567 332 S HA 0.427 4.879 4.470 -0.031 0.000 0.270 332 S C 0.174 174.834 174.600 0.100 0.000 1.152 332 S CA -0.447 57.793 58.200 0.067 0.000 0.835 332 S CB 0.845 64.051 63.200 0.010 0.000 1.115 332 S HN 0.192 nan 8.310 nan 0.000 0.459 333 Y N 2.602 122.909 120.300 0.012 0.000 2.102 333 Y HA -0.166 4.366 4.550 -0.031 0.000 0.280 333 Y C 2.293 178.172 175.900 -0.034 0.000 1.178 333 Y CA 2.732 60.835 58.100 0.004 0.000 1.146 333 Y CB -0.941 37.381 38.460 -0.230 0.000 0.968 333 Y HN 0.712 nan 8.280 nan 0.000 0.504 334 S N 0.461 115.911 115.700 -0.417 0.000 2.359 334 S HA -0.211 4.241 4.470 -0.031 0.000 0.224 334 S C 2.236 176.403 174.600 -0.721 0.000 1.035 334 S CA 1.313 59.020 58.200 -0.823 0.000 1.018 334 S CB -0.926 61.984 63.200 -0.482 0.000 0.876 334 S HN 0.675 nan 8.310 nan 0.000 0.448 335 A N 1.469 124.076 122.820 -0.356 0.000 2.066 335 A HA -0.084 4.217 4.320 -0.031 0.000 0.218 335 A C 1.619 179.074 177.584 -0.215 0.000 1.157 335 A CA 1.186 53.076 52.037 -0.245 0.000 0.670 335 A CB -0.433 18.487 19.000 -0.133 0.000 0.804 335 A HN 0.302 nan 8.150 nan 0.000 0.453 336 D N -0.887 119.397 120.400 -0.193 0.000 2.263 336 D HA -0.151 4.470 4.640 -0.031 0.000 0.208 336 D C 1.281 177.332 176.300 -0.416 0.000 0.971 336 D CA 0.833 54.740 54.000 -0.155 0.000 0.867 336 D CB -0.238 40.600 40.800 0.064 0.000 0.929 336 D HN 0.715 nan 8.370 nan 0.000 0.492 337 W N 0.875 121.605 121.300 -0.949 0.000 2.467 337 W HA 0.061 4.702 4.660 -0.031 0.000 0.275 337 W C 0.769 176.961 176.519 -0.545 0.000 1.239 337 W CA 0.023 56.693 57.345 -1.125 0.000 1.266 337 W CB -0.812 28.115 29.460 -0.889 0.000 1.112 337 W HN 0.074 nan 8.180 nan 0.000 0.576 338 Q N -0.503 119.205 119.800 -0.154 0.000 2.460 338 Q HA -0.145 4.177 4.340 -0.031 0.000 0.311 338 Q C -0.361 175.592 176.000 -0.078 0.000 1.396 338 Q CA 0.740 56.483 55.803 -0.100 0.000 0.838 338 Q CB -2.265 26.427 28.738 -0.077 0.000 1.140 338 Q HN 0.221 nan 8.270 nan 0.000 0.415 339 V N -4.154 115.712 119.914 -0.080 0.000 3.102 339 V HA 0.849 4.951 4.120 -0.031 0.000 0.312 339 V C -0.039 176.017 176.094 -0.063 0.000 1.135 339 V CA -0.715 61.533 62.300 -0.087 0.000 1.022 339 V CB 2.650 34.395 31.823 -0.131 0.000 1.056 339 V HN 0.087 nan 8.190 nan 0.000 0.436 340 T N 2.368 116.886 114.554 -0.059 0.000 2.786 340 T HA 0.584 4.915 4.350 -0.031 0.000 0.283 340 T C -0.918 173.777 174.700 -0.009 0.000 0.992 340 T CA 0.016 62.124 62.100 0.013 0.000 0.954 340 T CB 0.573 69.448 68.868 0.011 0.000 0.934 340 T HN 0.582 nan 8.240 nan 0.000 0.440 341 Y N 1.987 122.257 120.300 -0.051 0.000 2.511 341 Y HA 0.395 4.927 4.550 -0.031 0.000 0.332 341 Y C 0.480 176.288 175.900 -0.154 0.000 1.177 341 Y CA -0.215 57.814 58.100 -0.118 0.000 1.422 341 Y CB 0.481 38.926 38.460 -0.026 0.000 1.271 341 Y HN 0.273 nan 8.280 nan 0.000 0.550 342 V N 4.491 124.284 119.914 -0.202 0.000 2.760 342 V HA 0.243 4.344 4.120 -0.031 0.000 0.309 342 V C -0.680 175.223 176.094 -0.317 0.000 1.077 342 V CA -0.893 61.348 62.300 -0.099 0.000 0.910 342 V CB 1.700 33.531 31.823 0.013 0.000 1.008 342 V HN 0.643 nan 8.190 nan 0.000 0.424 343 F N 2.300 122.343 119.950 0.153 0.000 2.654 343 F HA 0.709 5.218 4.527 -0.031 0.000 0.303 343 F C 0.809 176.723 175.800 0.190 0.000 1.099 343 F CA 0.115 58.151 58.000 0.060 0.000 1.270 343 F CB 0.843 39.731 39.000 -0.186 0.000 1.024 343 F HN 0.532 nan 8.300 nan 0.000 0.548 344 A N 0.697 123.718 122.820 0.335 0.000 2.475 344 A HA 0.727 5.028 4.320 -0.031 0.000 0.301 344 A C -1.038 176.568 177.584 0.037 0.000 1.059 344 A CA -0.716 51.475 52.037 0.257 0.000 0.710 344 A CB 1.886 20.994 19.000 0.180 0.000 1.288 344 A HN 0.050 nan 8.150 nan 0.000 0.408 345 K N 1.519 121.888 120.400 -0.052 0.000 2.427 345 K HA 0.384 4.686 4.320 -0.031 0.000 0.252 345 K C -0.735 175.810 176.600 -0.091 0.000 0.931 345 K CA -0.557 55.562 56.287 -0.280 0.000 0.793 345 K CB 0.785 32.852 32.500 -0.722 0.000 1.211 345 K HN 0.721 nan 8.250 nan 0.000 0.426 346 N N 2.328 120.979 118.700 -0.081 0.000 2.727 346 N HA -0.202 4.519 4.740 -0.031 0.000 0.249 346 N C 0.439 175.954 175.510 0.008 0.000 1.048 346 N CA 1.525 54.557 53.050 -0.031 0.000 0.714 346 N CB -1.344 37.126 38.487 -0.029 0.000 0.959 346 N HN 1.092 nan 8.380 nan 0.000 0.544 347 G N -1.534 107.278 108.800 0.020 0.000 2.166 347 G HA2 -0.353 3.588 3.960 -0.031 0.000 0.260 347 G HA3 -0.353 3.588 3.960 -0.031 0.000 0.260 347 G C -0.080 174.863 174.900 0.072 0.000 0.986 347 G CA 0.930 46.057 45.100 0.045 0.000 0.683 347 G HN 0.421 nan 8.290 nan 0.000 0.527 348 K N 0.563 121.018 120.400 0.092 0.000 2.345 348 K HA 0.462 4.763 4.320 -0.031 0.000 0.255 348 K C -2.671 174.046 176.600 0.195 0.000 0.934 348 K CA -2.014 54.352 56.287 0.132 0.000 0.801 348 K CB 2.502 35.080 32.500 0.129 0.000 1.137 348 K HN -0.032 nan 8.250 nan 0.000 0.424 349 P HA 0.119 nan 4.420 nan 0.000 0.269 349 P C 1.022 178.519 177.300 0.327 0.000 1.209 349 P CA -0.157 63.111 63.100 0.279 0.000 0.776 349 P CB 0.662 32.519 31.700 0.261 0.000 0.876 350 I N 0.394 121.183 120.570 0.365 0.000 2.335 350 I HA -0.089 4.063 4.170 -0.031 0.000 0.251 350 I C 0.823 177.097 176.117 0.261 0.000 1.129 350 I CA 1.698 63.185 61.300 0.312 0.000 1.402 350 I CB -0.252 37.747 38.000 -0.002 0.000 1.069 350 I HN 0.544 nan 8.210 nan 0.000 0.424 351 G N -0.263 108.716 108.800 0.297 0.000 2.451 351 G HA2 0.331 4.272 3.960 -0.031 0.000 0.292 351 G HA3 0.331 4.272 3.960 -0.031 0.000 0.292 351 G C -3.060 172.010 174.900 0.283 0.000 1.427 351 G CA -0.726 44.526 45.100 0.254 0.000 0.792 351 G HN -0.116 nan 8.290 nan 0.000 0.498 352 P HA 0.276 nan 4.420 nan 0.000 0.274 352 P C -0.747 176.542 177.300 -0.020 0.000 1.237 352 P CA -0.089 63.062 63.100 0.084 0.000 0.793 352 P CB 1.165 32.900 31.700 0.059 0.000 0.977 353 Q N 0.199 119.892 119.800 -0.177 0.000 2.235 353 Q HA 0.530 4.851 4.340 -0.031 0.000 0.250 353 Q C 0.401 176.246 176.000 -0.259 0.000 0.909 353 Q CA -0.678 54.901 55.803 -0.374 0.000 0.910 353 Q CB 1.425 29.853 28.738 -0.517 0.000 1.223 353 Q HN 0.541 nan 8.270 nan 0.000 0.432 354 A N 1.703 124.341 122.820 -0.303 0.000 2.296 354 A HA 0.005 4.306 4.320 -0.031 0.000 0.276 354 A C 0.895 178.274 177.584 -0.341 0.000 1.356 354 A CA 0.353 52.204 52.037 -0.310 0.000 0.825 354 A CB -0.093 18.671 19.000 -0.392 0.000 1.308 354 A HN 0.971 nan 8.150 nan 0.000 0.515 355 N N -0.582 117.910 118.700 -0.346 0.000 2.120 355 N HA -0.091 4.631 4.740 -0.031 0.000 0.188 355 N C 0.406 175.721 175.510 -0.325 0.000 1.024 355 N CA 1.556 54.433 53.050 -0.287 0.000 0.852 355 N CB -0.199 38.139 38.487 -0.248 0.000 1.003 355 N HN 0.426 nan 8.380 nan 0.000 0.424 356 S N 0.751 116.170 115.700 -0.467 0.000 2.510 356 S HA 0.092 4.544 4.470 -0.031 0.000 0.279 356 S C 0.727 174.958 174.600 -0.614 0.000 1.284 356 S CA -0.675 57.202 58.200 -0.540 0.000 1.059 356 S CB 0.914 63.606 63.200 -0.847 0.000 0.901 356 S HN 0.346 nan 8.310 nan 0.000 0.491 357 N N 2.795 121.281 118.700 -0.357 0.000 2.223 357 N HA -0.103 4.619 4.740 -0.031 0.000 0.185 357 N C 1.577 176.913 175.510 -0.289 0.000 1.016 357 N CA 0.988 53.864 53.050 -0.290 0.000 0.863 357 N CB -0.111 38.309 38.487 -0.111 0.000 0.983 357 N HN 0.894 nan 8.380 nan 0.000 0.429 358 W N 0.079 121.324 121.300 -0.093 0.000 2.800 358 W HA 0.218 4.859 4.660 -0.032 0.000 0.249 358 W C 0.092 176.665 176.519 0.091 0.000 1.294 358 W CA -0.374 56.990 57.345 0.031 0.000 1.402 358 W CB -0.592 28.913 29.460 0.075 0.000 1.126 358 W HN -0.089 nan 8.180 nan 0.000 0.652 359 L N 2.628 123.480 121.223 -0.619 0.000 2.315 359 L HA 0.290 4.611 4.340 -0.031 0.000 0.278 359 L C -1.025 175.695 176.870 -0.250 0.000 1.088 359 L CA -0.815 53.728 54.840 -0.496 0.000 0.899 359 L CB -0.124 41.315 42.059 -1.034 0.000 1.277 359 L HN -0.236 nan 8.230 nan 0.000 0.431 360 Y N 3.997 124.336 120.300 0.065 0.000 2.316 360 Y HA 0.261 4.793 4.550 -0.031 0.000 0.331 360 Y C 0.555 176.548 175.900 0.154 0.000 1.083 360 Y CA -0.418 57.734 58.100 0.086 0.000 1.206 360 Y CB 0.883 39.425 38.460 0.137 0.000 1.195 360 Y HN 0.353 nan 8.280 nan 0.000 0.497 361 I N 4.752 125.474 120.570 0.253 0.000 2.329 361 I HA 0.134 4.286 4.170 -0.031 0.000 0.295 361 I C -0.702 175.500 176.117 0.142 0.000 1.109 361 I CA -0.057 61.425 61.300 0.304 0.000 1.297 361 I CB -0.139 38.015 38.000 0.256 0.000 1.433 361 I HN 0.276 nan 8.210 nan 0.000 0.509 362 V N 8.433 128.365 119.914 0.029 0.000 2.465 362 V HA 0.180 4.282 4.120 -0.031 0.000 0.263 362 V C -1.796 173.799 176.094 -0.831 0.000 0.981 362 V CA -0.953 61.094 62.300 -0.421 0.000 0.838 362 V CB 1.141 32.594 31.823 -0.617 0.000 1.068 362 V HN 0.507 nan 8.190 nan 0.000 0.458 363 P HA -0.133 nan 4.420 nan 0.000 0.218 363 P C 1.670 178.540 177.300 -0.716 0.000 1.148 363 P CA 1.424 63.725 63.100 -1.331 0.000 0.822 363 P CB 0.071 31.361 31.700 -0.684 0.000 0.784 364 W N -0.712 120.367 121.300 -0.367 0.000 2.611 364 W HA 0.102 4.744 4.660 -0.030 0.000 0.251 364 W C 1.450 177.826 176.519 -0.237 0.000 1.265 364 W CA 0.609 57.820 57.345 -0.224 0.000 1.295 364 W CB -2.086 27.292 29.460 -0.137 0.000 1.129 364 W HN -0.100 nan 8.180 nan 0.000 0.630 365 G N 2.027 110.478 108.800 -0.581 0.000 2.432 365 G HA2 -0.316 3.625 3.960 -0.031 0.000 0.219 365 G HA3 -0.316 3.625 3.960 -0.031 0.000 0.219 365 G C 1.412 176.118 174.900 -0.322 0.000 1.135 365 G CA 1.464 46.302 45.100 -0.438 0.000 0.767 365 G HN 0.246 nan 8.290 nan 0.000 0.550 366 M N -0.328 119.117 119.600 -0.259 0.000 2.086 366 M HA -0.026 4.435 4.480 -0.031 0.000 0.261 366 M C 2.256 178.500 176.300 -0.093 0.000 1.067 366 M CA 1.470 56.716 55.300 -0.089 0.000 1.116 366 M CB -0.706 31.902 32.600 0.013 0.000 1.348 366 M HN 0.284 nan 8.290 nan 0.000 0.407 367 Y N 0.381 120.574 120.300 -0.178 0.000 2.128 367 Y HA -0.049 4.482 4.550 -0.031 0.000 0.284 367 Y C 2.102 177.810 175.900 -0.320 0.000 1.154 367 Y CA 2.154 60.159 58.100 -0.159 0.000 1.149 367 Y CB -1.048 37.349 38.460 -0.105 0.000 0.976 367 Y HN 0.308 nan 8.280 nan 0.000 0.505 368 G N -0.464 107.988 108.800 -0.581 0.000 2.529 368 G HA2 -0.354 3.588 3.960 -0.031 0.000 0.219 368 G HA3 -0.354 3.588 3.960 -0.031 0.000 0.219 368 G C 1.766 175.879 174.900 -1.312 0.000 1.177 368 G CA 1.409 45.620 45.100 -1.482 0.000 0.773 368 G HN 0.555 nan 8.290 nan 0.000 0.573 369 C N -0.452 118.382 119.300 -0.777 0.000 2.432 369 C HA 0.029 4.471 4.460 -0.031 0.000 0.277 369 C C 3.138 178.189 174.990 0.102 0.000 1.249 369 C CA 0.806 59.667 59.018 -0.260 0.000 1.725 369 C CB -0.899 26.616 27.740 -0.374 0.000 2.028 369 C HN 0.293 nan 8.230 nan 0.000 0.477 370 V N 1.467 121.347 119.914 -0.057 0.000 2.307 370 V HA -0.183 3.918 4.120 -0.031 0.000 0.245 370 V C 2.269 178.339 176.094 -0.040 0.000 1.045 370 V CA 2.395 64.712 62.300 0.027 0.000 1.024 370 V CB -0.932 30.904 31.823 0.021 0.000 0.651 370 V HN 0.581 nan 8.190 nan 0.000 0.449 371 N N -0.258 118.260 118.700 -0.304 0.000 2.104 371 N HA -0.267 4.455 4.740 -0.031 0.000 0.190 371 N C 1.838 177.329 175.510 -0.031 0.000 1.024 371 N CA 2.010 54.878 53.050 -0.302 0.000 0.853 371 N CB -0.419 37.647 38.487 -0.701 0.000 1.008 371 N HN 0.569 nan 8.380 nan 0.000 0.424 372 Y N 0.705 120.976 120.300 -0.049 0.000 2.097 372 Y HA -0.088 4.443 4.550 -0.031 0.000 0.282 372 Y C 2.013 178.064 175.900 0.251 0.000 1.152 372 Y CA 1.739 59.958 58.100 0.198 0.000 1.136 372 Y CB -0.426 38.342 38.460 0.513 0.000 0.975 372 Y HN 0.137 nan 8.280 nan 0.000 0.498 373 I N 0.480 121.256 120.570 0.343 0.000 2.286 373 I HA -0.307 3.844 4.170 -0.031 0.000 0.248 373 I C 2.602 178.809 176.117 0.150 0.000 1.115 373 I CA 1.693 63.168 61.300 0.292 0.000 1.392 373 I CB -0.488 37.729 38.000 0.362 0.000 1.065 373 I HN 0.207 nan 8.210 nan 0.000 0.418 374 K N 0.733 121.193 120.400 0.100 0.000 2.001 374 K HA -0.263 4.038 4.320 -0.031 0.000 0.214 374 K C 2.160 178.767 176.600 0.011 0.000 1.050 374 K CA 1.679 58.002 56.287 0.060 0.000 0.934 374 K CB -0.062 32.461 32.500 0.039 0.000 0.718 374 K HN 0.265 nan 8.250 nan 0.000 0.443 375 Q N 0.217 119.996 119.800 -0.035 0.000 2.172 375 Q HA -0.107 4.215 4.340 -0.031 0.000 0.200 375 Q C 1.956 177.860 176.000 -0.161 0.000 0.964 375 Q CA 1.167 56.931 55.803 -0.066 0.000 0.855 375 Q CB 0.029 28.745 28.738 -0.038 0.000 0.918 375 Q HN 0.380 nan 8.270 nan 0.000 0.444 376 K N -0.449 119.757 120.400 -0.322 0.000 2.166 376 K HA -0.035 4.266 4.320 -0.031 0.000 0.201 376 K C 0.502 176.757 176.600 -0.576 0.000 1.052 376 K CA 0.549 56.491 56.287 -0.576 0.000 0.969 376 K CB 0.386 32.244 32.500 -1.070 0.000 0.761 376 K HN 0.088 nan 8.250 nan 0.000 0.459 377 Y N -0.175 120.055 120.300 -0.117 0.000 2.681 377 Y HA 0.275 4.807 4.550 -0.031 0.000 0.267 377 Y C 0.675 176.556 175.900 -0.031 0.000 1.166 377 Y CA 0.018 58.079 58.100 -0.066 0.000 1.209 377 Y CB 1.175 39.601 38.460 -0.056 0.000 1.161 377 Y HN 0.252 nan 8.280 nan 0.000 0.534 378 G N 1.337 110.172 108.800 0.060 0.000 2.198 378 G HA2 -0.370 3.571 3.960 -0.031 0.000 0.257 378 G HA3 -0.370 3.571 3.960 -0.031 0.000 0.257 378 G C 0.246 175.188 174.900 0.070 0.000 1.042 378 G CA 0.262 45.394 45.100 0.052 0.000 0.791 378 G HN 0.482 nan 8.290 nan 0.000 0.502 379 N N -1.269 117.480 118.700 0.082 0.000 2.708 379 N HA -0.119 4.603 4.740 -0.031 0.000 0.255 379 N C -1.277 174.292 175.510 0.099 0.000 1.046 379 N CA 1.215 54.317 53.050 0.087 0.000 0.715 379 N CB -0.361 38.168 38.487 0.069 0.000 0.895 379 N HN 0.629 nan 8.380 nan 0.000 0.545 380 P HA 0.089 nan 4.420 nan 0.000 0.272 380 P C -0.321 177.053 177.300 0.125 0.000 1.230 380 P CA -0.009 63.153 63.100 0.103 0.000 0.788 380 P CB 0.386 32.139 31.700 0.088 0.000 0.949 381 T N 0.950 115.586 114.554 0.136 0.000 2.817 381 T HA 0.203 4.535 4.350 -0.031 0.000 0.295 381 T C 0.308 175.130 174.700 0.203 0.000 0.958 381 T CA 0.034 62.238 62.100 0.174 0.000 1.157 381 T CB -0.195 68.795 68.868 0.203 0.000 0.898 381 T HN 0.103 nan 8.240 nan 0.000 0.536 382 V N 4.620 124.648 119.914 0.189 0.000 2.555 382 V HA 0.480 4.581 4.120 -0.031 0.000 0.302 382 V C -0.090 176.103 176.094 0.165 0.000 1.038 382 V CA -0.751 61.663 62.300 0.190 0.000 0.887 382 V CB 2.145 34.081 31.823 0.189 0.000 0.991 382 V HN 0.653 nan 8.190 nan 0.000 0.434 383 V N 5.345 125.347 119.914 0.146 0.000 2.409 383 V HA 0.418 4.519 4.120 -0.031 0.000 0.291 383 V C -0.095 176.059 176.094 0.100 0.000 1.020 383 V CA -0.654 61.697 62.300 0.086 0.000 0.848 383 V CB 1.837 33.678 31.823 0.031 0.000 0.990 383 V HN 0.604 nan 8.190 nan 0.000 0.430 384 I N 5.341 125.999 120.570 0.147 0.000 2.471 384 I HA 0.057 4.209 4.170 -0.031 0.000 0.294 384 I C 1.680 177.808 176.117 0.018 0.000 1.123 384 I CA 0.553 61.932 61.300 0.132 0.000 1.336 384 I CB 0.377 38.554 38.000 0.295 0.000 1.430 384 I HN 0.820 nan 8.210 nan 0.000 0.533 385 T N 2.293 116.788 114.554 -0.098 0.000 3.067 385 T HA 0.205 4.536 4.350 -0.031 0.000 0.257 385 T C 0.579 175.175 174.700 -0.174 0.000 1.105 385 T CA 0.181 62.117 62.100 -0.272 0.000 1.104 385 T CB 0.383 68.940 68.868 -0.518 0.000 0.925 385 T HN 0.578 nan 8.240 nan 0.000 0.498 386 E N 0.630 120.753 120.200 -0.129 0.000 2.354 386 E HA 0.446 4.778 4.350 -0.031 0.000 0.283 386 E C -1.523 174.926 176.600 -0.252 0.000 0.938 386 E CA -0.742 55.612 56.400 -0.076 0.000 0.777 386 E CB 1.949 31.637 29.700 -0.020 0.000 1.222 386 E HN 0.255 nan 8.360 nan 0.000 0.423 387 N N 1.664 120.278 118.700 -0.143 0.000 2.516 387 N HA 0.576 5.297 4.740 -0.031 0.000 0.268 387 N C -1.249 174.432 175.510 0.285 0.000 1.096 387 N CA -0.207 52.773 53.050 -0.117 0.000 0.954 387 N CB 2.098 40.695 38.487 0.184 0.000 1.676 387 N HN 0.653 nan 8.380 nan 0.000 0.490 388 G N 1.178 110.119 108.800 0.235 0.000 2.315 388 G HA2 0.464 4.405 3.960 -0.031 0.000 0.294 388 G HA3 0.464 4.405 3.960 -0.031 0.000 0.294 388 G C -1.697 173.044 174.900 -0.266 0.000 1.300 388 G CA -0.586 44.541 45.100 0.044 0.000 0.843 388 G HN 0.715 nan 8.290 nan 0.000 0.527 389 M N -0.707 118.616 119.600 -0.461 0.000 2.622 389 M HA 0.751 5.212 4.480 -0.031 0.000 0.276 389 M C -2.008 173.858 176.300 -0.723 0.000 1.265 389 M CA -1.011 53.908 55.300 -0.636 0.000 0.850 389 M CB 2.613 34.528 32.600 -1.143 0.000 1.720 389 M HN 0.564 nan 8.290 nan 0.000 0.465 390 D N 0.509 120.310 120.400 -0.999 0.000 2.342 390 D HA 0.458 5.079 4.640 -0.031 0.000 0.243 390 D C -1.245 174.783 176.300 -0.454 0.000 1.019 390 D CA -0.416 53.001 54.000 -0.971 0.000 0.864 390 D CB 1.479 41.380 40.800 -1.498 0.000 1.315 390 D HN 0.823 nan 8.370 nan 0.000 0.468 391 Q N 0.486 120.149 119.800 -0.228 0.000 2.221 391 Q HA 0.441 4.762 4.340 -0.031 0.000 0.242 391 Q C -2.083 173.919 176.000 0.003 0.000 0.940 391 Q CA -1.712 54.063 55.803 -0.048 0.000 0.896 391 Q CB 1.695 30.529 28.738 0.159 0.000 1.226 391 Q HN 0.381 nan 8.270 nan 0.000 0.463 392 P HA 0.121 nan 4.420 nan 0.000 0.277 392 P C -1.145 176.256 177.300 0.169 0.000 1.271 392 P CA -0.245 62.873 63.100 0.030 0.000 0.795 392 P CB 0.560 32.245 31.700 -0.024 0.000 1.101 393 A N 0.738 123.644 122.820 0.143 0.000 2.327 393 A HA 0.247 4.549 4.320 -0.031 0.000 0.255 393 A C 0.781 178.481 177.584 0.194 0.000 1.099 393 A CA 0.029 52.195 52.037 0.215 0.000 0.801 393 A CB -0.980 18.099 19.000 0.133 0.000 1.062 393 A HN 0.724 nan 8.150 nan 0.000 0.496 394 N N -2.294 116.551 118.700 0.241 0.000 2.909 394 N HA -0.137 4.584 4.740 -0.031 0.000 0.242 394 N C -0.268 175.270 175.510 0.046 0.000 0.975 394 N CA 1.301 54.435 53.050 0.139 0.000 0.921 394 N CB -1.843 36.686 38.487 0.071 0.000 1.112 394 N HN 0.595 nan 8.380 nan 0.000 0.581 395 L N 0.979 122.158 121.223 -0.074 0.000 2.466 395 L HA 0.283 4.604 4.340 -0.031 0.000 0.257 395 L C 1.494 178.233 176.870 -0.219 0.000 1.189 395 L CA -0.356 54.243 54.840 -0.401 0.000 0.813 395 L CB 0.509 41.915 42.059 -1.088 0.000 1.118 395 L HN 0.225 nan 8.230 nan 0.000 0.471 396 S N 0.638 116.204 115.700 -0.224 0.000 2.614 396 S HA 0.153 4.604 4.470 -0.031 0.000 0.265 396 S C 1.027 175.537 174.600 -0.149 0.000 1.303 396 S CA -0.550 57.586 58.200 -0.107 0.000 1.000 396 S CB 1.282 64.418 63.200 -0.105 0.000 0.935 396 S HN 0.730 nan 8.310 nan 0.000 0.551 397 R N 0.668 121.095 120.500 -0.121 0.000 2.094 397 R HA -0.182 4.139 4.340 -0.031 0.000 0.239 397 R C 0.996 177.102 176.300 -0.322 0.000 1.137 397 R CA 2.344 58.232 56.100 -0.352 0.000 0.943 397 R CB -0.909 29.229 30.300 -0.269 0.000 0.850 397 R HN 0.782 nan 8.270 nan 0.000 0.433 398 D N 0.412 120.693 120.400 -0.197 0.000 2.144 398 D HA -0.161 4.461 4.640 -0.031 0.000 0.199 398 D C 2.083 178.300 176.300 -0.139 0.000 0.984 398 D CA 1.186 55.103 54.000 -0.139 0.000 0.834 398 D CB -0.233 40.510 40.800 -0.094 0.000 0.955 398 D HN 0.447 nan 8.370 nan 0.000 0.465 399 Q N -0.702 118.979 119.800 -0.199 0.000 2.084 399 Q HA -0.159 4.163 4.340 -0.031 0.000 0.202 399 Q C 2.064 177.907 176.000 -0.261 0.000 0.978 399 Q CA 1.030 56.689 55.803 -0.240 0.000 0.844 399 Q CB -0.212 28.334 28.738 -0.320 0.000 0.898 399 Q HN 0.482 nan 8.270 nan 0.000 0.426 400 Y N 0.478 120.657 120.300 -0.201 0.000 2.224 400 Y HA -0.212 4.320 4.550 -0.030 0.000 0.289 400 Y C 2.058 177.892 175.900 -0.109 0.000 1.146 400 Y CA 0.790 58.775 58.100 -0.192 0.000 1.182 400 Y CB 0.014 38.223 38.460 -0.418 0.000 0.983 400 Y HN 0.082 nan 8.280 nan 0.000 0.524 401 L N -0.523 120.704 121.223 0.007 0.000 2.179 401 L HA -0.089 4.233 4.340 -0.031 0.000 0.208 401 L C 0.970 177.910 176.870 0.117 0.000 1.096 401 L CA 0.814 55.703 54.840 0.082 0.000 0.779 401 L CB -0.328 41.763 42.059 0.053 0.000 0.922 401 L HN 0.013 nan 8.230 nan 0.000 0.443 402 R N 2.030 122.565 120.500 0.059 0.000 4.556 402 R HA 0.006 4.327 4.340 -0.031 0.000 0.197 402 R C -0.289 176.061 176.300 0.082 0.000 1.791 402 R CA -0.170 55.974 56.100 0.073 0.000 1.526 402 R CB -0.551 29.764 30.300 0.025 0.000 1.410 402 R HN 0.253 nan 8.270 nan 0.000 0.826 403 D N -0.063 120.415 120.400 0.129 0.000 2.845 403 D HA -0.039 4.583 4.640 -0.031 0.000 0.235 403 D C 0.817 177.189 176.300 0.121 0.000 1.158 403 D CA -0.175 53.894 54.000 0.114 0.000 0.990 403 D CB 0.881 41.766 40.800 0.142 0.000 1.094 403 D HN -0.064 nan 8.370 nan 0.000 0.486 404 T N 0.043 114.663 114.554 0.110 0.000 2.759 404 T HA -0.195 4.137 4.350 -0.031 0.000 0.269 404 T C 1.594 176.361 174.700 0.112 0.000 1.042 404 T CA 2.104 64.277 62.100 0.121 0.000 1.140 404 T CB -0.104 68.825 68.868 0.102 0.000 0.864 404 T HN 0.368 nan 8.240 nan 0.000 0.455 405 T N 1.149 115.756 114.554 0.087 0.000 2.746 405 T HA -0.062 4.269 4.350 -0.031 0.000 0.267 405 T C 2.015 176.761 174.700 0.076 0.000 1.039 405 T CA 1.293 63.449 62.100 0.092 0.000 1.142 405 T CB -0.213 68.677 68.868 0.037 0.000 0.866 405 T HN 0.383 nan 8.240 nan 0.000 0.444 406 R N 0.662 121.180 120.500 0.030 0.000 2.090 406 R HA -0.042 4.279 4.340 -0.031 0.000 0.228 406 R C 2.320 178.644 176.300 0.040 0.000 1.110 406 R CA 0.886 56.980 56.100 -0.011 0.000 0.973 406 R CB -0.465 29.849 30.300 0.023 0.000 0.869 406 R HN 0.220 nan 8.270 nan 0.000 0.440 407 V N 0.617 120.539 119.914 0.015 0.000 2.252 407 V HA -0.331 3.771 4.120 -0.031 0.000 0.249 407 V C 2.336 178.256 176.094 -0.290 0.000 1.056 407 V CA 2.394 64.548 62.300 -0.243 0.000 1.022 407 V CB -0.858 30.878 31.823 -0.144 0.000 0.641 407 V HN 0.546 nan 8.190 nan 0.000 0.445 408 H N -1.403 117.578 119.070 -0.149 0.000 2.353 408 H HA -0.239 4.299 4.556 -0.031 0.000 0.300 408 H C 2.273 177.573 175.328 -0.047 0.000 1.090 408 H CA 1.916 57.911 56.048 -0.089 0.000 1.327 408 H CB -0.076 29.689 29.762 0.005 0.000 1.383 408 H HN 0.420 nan 8.280 nan 0.000 0.508 409 F N 0.778 120.620 119.950 -0.180 0.000 2.043 409 F HA -0.359 4.150 4.527 -0.030 0.000 0.297 409 F C 1.915 177.601 175.800 -0.192 0.000 1.121 409 F CA 1.865 59.724 58.000 -0.235 0.000 1.199 409 F CB -0.624 38.141 39.000 -0.391 0.000 0.968 409 F HN 0.151 nan 8.300 nan 0.000 0.478 410 Y N 0.342 120.681 120.300 0.066 0.000 2.181 410 Y HA -0.192 4.339 4.550 -0.031 0.000 0.288 410 Y C 2.743 178.458 175.900 -0.308 0.000 1.146 410 Y CA 1.886 59.919 58.100 -0.112 0.000 1.164 410 Y CB -1.017 37.234 38.460 -0.348 0.000 0.982 410 Y HN 0.059 nan 8.280 nan 0.000 0.515 411 R N -0.174 120.072 120.500 -0.425 0.000 2.083 411 R HA -0.164 4.158 4.340 -0.031 0.000 0.237 411 R C 2.271 178.603 176.300 0.054 0.000 1.137 411 R CA 1.897 57.917 56.100 -0.133 0.000 0.951 411 R CB -0.341 29.890 30.300 -0.114 0.000 0.851 411 R HN 0.229 nan 8.270 nan 0.000 0.434 412 S N -0.212 115.504 115.700 0.028 0.000 2.356 412 S HA -0.141 4.310 4.470 -0.031 0.000 0.223 412 S C 1.708 176.289 174.600 -0.031 0.000 1.032 412 S CA 1.304 59.503 58.200 -0.000 0.000 1.005 412 S CB -0.452 62.689 63.200 -0.099 0.000 0.867 412 S HN 0.372 nan 8.310 nan 0.000 0.449 413 Y N 1.590 121.763 120.300 -0.211 0.000 2.181 413 Y HA 0.006 4.538 4.550 -0.030 0.000 0.288 413 Y C 2.128 178.041 175.900 0.021 0.000 1.146 413 Y CA 0.765 58.772 58.100 -0.155 0.000 1.164 413 Y CB -0.507 37.780 38.460 -0.288 0.000 0.982 413 Y HN 0.145 nan 8.280 nan 0.000 0.515 414 L N -1.170 120.191 121.223 0.229 0.000 2.201 414 L HA -0.208 4.114 4.340 -0.031 0.000 0.212 414 L C 2.201 179.214 176.870 0.238 0.000 1.105 414 L CA 1.442 56.416 54.840 0.224 0.000 0.775 414 L CB -0.656 41.561 42.059 0.264 0.000 0.913 414 L HN 0.199 nan 8.230 nan 0.000 0.440 415 T N -1.315 113.327 114.554 0.147 0.000 2.821 415 T HA -0.168 4.163 4.350 -0.031 0.000 0.267 415 T C 1.910 176.629 174.700 0.032 0.000 1.046 415 T CA 0.966 63.105 62.100 0.066 0.000 1.139 415 T CB -0.041 68.854 68.868 0.045 0.000 0.871 415 T HN 0.277 nan 8.240 nan 0.000 0.454 416 Q N 0.356 120.179 119.800 0.038 0.000 2.123 416 Q HA 0.083 4.404 4.340 -0.031 0.000 0.199 416 Q C 2.400 178.483 176.000 0.137 0.000 0.966 416 Q CA 0.729 56.561 55.803 0.049 0.000 0.845 416 Q CB -0.640 28.088 28.738 -0.018 0.000 0.907 416 Q HN 0.382 nan 8.270 nan 0.000 0.439 417 L N 1.682 122.998 121.223 0.154 0.000 2.017 417 L HA -0.175 4.147 4.340 -0.031 0.000 0.208 417 L C 2.377 179.337 176.870 0.149 0.000 1.073 417 L CA 1.961 56.922 54.840 0.201 0.000 0.745 417 L CB -0.563 41.664 42.059 0.279 0.000 0.894 417 L HN 0.086 nan 8.230 nan 0.000 0.432 418 K N -0.271 120.166 120.400 0.062 0.000 2.074 418 K HA -0.301 4.000 4.320 -0.031 0.000 0.209 418 K C 2.333 178.874 176.600 -0.098 0.000 1.048 418 K CA 2.075 58.235 56.287 -0.212 0.000 0.926 418 K CB -0.245 31.979 32.500 -0.460 0.000 0.713 418 K HN 0.365 nan 8.250 nan 0.000 0.444 419 K N 0.060 120.453 120.400 -0.011 0.000 2.020 419 K HA -0.192 4.110 4.320 -0.031 0.000 0.212 419 K C 1.987 178.688 176.600 0.168 0.000 1.050 419 K CA 1.588 57.895 56.287 0.034 0.000 0.929 419 K CB -0.278 32.214 32.500 -0.014 0.000 0.714 419 K HN 0.267 nan 8.250 nan 0.000 0.443 420 A N 1.038 124.025 122.820 0.279 0.000 1.933 420 A HA -0.104 4.197 4.320 -0.031 0.000 0.218 420 A C 2.088 179.735 177.584 0.105 0.000 1.175 420 A CA 1.410 53.568 52.037 0.201 0.000 0.628 420 A CB -0.482 18.548 19.000 0.050 0.000 0.814 420 A HN 0.375 nan 8.150 nan 0.000 0.444 421 I N -0.236 120.382 120.570 0.080 0.000 2.315 421 I HA -0.190 3.961 4.170 -0.031 0.000 0.248 421 I C 1.554 177.686 176.117 0.026 0.000 1.117 421 I CA 1.239 62.574 61.300 0.059 0.000 1.404 421 I CB -0.377 37.641 38.000 0.029 0.000 1.071 421 I HN 0.206 nan 8.210 nan 0.000 0.419 422 D N 0.856 121.252 120.400 -0.008 0.000 2.219 422 D HA -0.152 4.469 4.640 -0.031 0.000 0.205 422 D C 1.758 178.070 176.300 0.020 0.000 0.970 422 D CA 1.044 55.032 54.000 -0.019 0.000 0.851 422 D CB -0.132 40.635 40.800 -0.055 0.000 0.943 422 D HN 0.429 nan 8.370 nan 0.000 0.488 423 E N -0.696 119.538 120.200 0.057 0.000 2.502 423 E HA 0.205 4.537 4.350 -0.031 0.000 0.194 423 E C 1.060 177.697 176.600 0.060 0.000 1.062 423 E CA 0.307 56.750 56.400 0.071 0.000 0.867 423 E CB 0.461 30.237 29.700 0.127 0.000 0.888 423 E HN 0.282 nan 8.360 nan 0.000 0.510 424 G N 0.794 109.628 108.800 0.057 0.000 2.192 424 G HA2 -0.207 3.734 3.960 -0.031 0.000 0.193 424 G HA3 -0.207 3.734 3.960 -0.031 0.000 0.193 424 G C 0.322 175.263 174.900 0.069 0.000 0.999 424 G CA -0.243 44.891 45.100 0.057 0.000 0.659 424 G HN 0.390 nan 8.290 nan 0.000 0.503 425 A N 0.303 123.167 122.820 0.074 0.000 2.488 425 A HA 0.532 4.833 4.320 -0.031 0.000 0.249 425 A C 0.625 178.282 177.584 0.123 0.000 1.083 425 A CA 0.110 52.200 52.037 0.089 0.000 0.768 425 A CB 0.149 19.198 19.000 0.082 0.000 1.017 425 A HN 0.274 nan 8.150 nan 0.000 0.496 426 N N 2.013 120.790 118.700 0.128 0.000 3.178 426 N HA 0.208 4.929 4.740 -0.031 0.000 0.300 426 N C -0.736 174.884 175.510 0.184 0.000 1.242 426 N CA 0.154 53.292 53.050 0.148 0.000 1.192 426 N CB 0.335 38.898 38.487 0.127 0.000 1.463 426 N HN 0.349 nan 8.380 nan 0.000 0.539 427 V N 0.867 120.922 119.914 0.235 0.000 2.383 427 V HA 0.339 4.440 4.120 -0.031 0.000 0.275 427 V C 1.184 177.487 176.094 0.348 0.000 1.036 427 V CA -0.469 62.009 62.300 0.297 0.000 0.889 427 V CB 1.190 33.244 31.823 0.385 0.000 0.985 427 V HN 0.393 nan 8.190 nan 0.000 0.459 428 A N 3.705 126.602 122.820 0.127 0.000 2.220 428 A HA 0.704 5.005 4.320 -0.031 0.000 0.211 428 A C 0.981 178.199 177.584 -0.610 0.000 1.176 428 A CA 0.710 52.717 52.037 -0.051 0.000 0.834 428 A CB 0.173 19.182 19.000 0.015 0.000 0.868 428 A HN 1.172 nan 8.150 nan 0.000 0.488 429 G N -2.232 106.067 108.800 -0.836 0.000 2.489 429 G HA2 0.444 4.386 3.960 -0.031 0.000 0.291 429 G HA3 0.444 4.386 3.960 -0.031 0.000 0.291 429 G C -1.930 172.638 174.900 -0.554 0.000 1.487 429 G CA -0.417 43.944 45.100 -1.233 0.000 0.795 429 G HN 0.474 nan 8.290 nan 0.000 0.513 430 Y N -0.039 119.826 120.300 -0.726 0.000 2.470 430 Y HA 0.773 5.304 4.550 -0.031 0.000 0.341 430 Y C -1.934 173.810 175.900 -0.261 0.000 1.021 430 Y CA -1.416 56.572 58.100 -0.187 0.000 1.025 430 Y CB 1.927 40.390 38.460 0.005 0.000 1.266 430 Y HN 0.478 nan 8.280 nan 0.000 0.448 431 F N 4.333 123.900 119.950 -0.639 0.000 2.539 431 F HA 0.722 5.230 4.527 -0.032 0.000 0.318 431 F C -0.134 175.340 175.800 -0.544 0.000 1.135 431 F CA -0.843 56.883 58.000 -0.457 0.000 0.915 431 F CB 1.991 40.789 39.000 -0.337 0.000 1.176 431 F HN 0.670 nan 8.300 nan 0.000 0.440 432 A N 4.027 126.703 122.820 -0.240 0.000 2.320 432 A HA 0.242 4.543 4.320 -0.031 0.000 0.287 432 A C -0.941 176.674 177.584 0.052 0.000 1.181 432 A CA -0.443 51.554 52.037 -0.066 0.000 0.831 432 A CB 0.286 19.126 19.000 -0.266 0.000 1.102 432 A HN 0.847 nan 8.150 nan 0.000 0.513 433 W N 4.055 125.407 121.300 0.086 0.000 2.387 433 W HA 0.487 5.129 4.660 -0.030 0.000 0.310 433 W C -0.423 176.244 176.519 0.248 0.000 1.181 433 W CA 0.022 57.432 57.345 0.108 0.000 1.333 433 W CB 1.307 30.828 29.460 0.102 0.000 1.286 433 W HN 0.664 nan 8.180 nan 0.000 0.455 434 S N 4.319 119.829 115.700 -0.316 0.000 2.671 434 S HA 0.302 4.754 4.470 -0.031 0.000 0.299 434 S C 0.454 174.829 174.600 -0.375 0.000 1.116 434 S CA -0.740 56.981 58.200 -0.798 0.000 0.912 434 S CB 1.551 63.958 63.200 -1.323 0.000 1.130 434 S HN 0.530 nan 8.310 nan 0.000 0.501 435 L N 2.662 123.665 121.223 -0.368 0.000 2.012 435 L HA 0.303 4.625 4.340 -0.031 0.000 0.210 435 L C -0.169 176.585 176.870 -0.192 0.000 1.073 435 L CA 1.993 56.669 54.840 -0.273 0.000 0.748 435 L CB -0.437 41.492 42.059 -0.217 0.000 0.891 435 L HN 0.641 nan 8.230 nan 0.000 0.431 436 L N -0.582 120.520 121.223 -0.202 0.000 2.370 436 L HA 0.381 4.702 4.340 -0.031 0.000 0.266 436 L C -0.642 176.182 176.870 -0.077 0.000 1.002 436 L CA -1.239 53.524 54.840 -0.128 0.000 0.818 436 L CB 1.377 43.364 42.059 -0.120 0.000 1.325 436 L HN -0.188 nan 8.230 nan 0.000 0.418 437 D N 2.025 122.421 120.400 -0.007 0.000 2.506 437 D HA 0.158 4.779 4.640 -0.031 0.000 0.234 437 D C -0.417 176.069 176.300 0.309 0.000 1.143 437 D CA 0.710 54.791 54.000 0.136 0.000 0.871 437 D CB 0.496 41.371 40.800 0.125 0.000 1.190 437 D HN 0.681 nan 8.370 nan 0.000 0.459 438 N N -0.425 118.479 118.700 0.339 0.000 3.439 438 N HA 0.277 4.998 4.740 -0.031 0.000 0.313 438 N C -1.443 174.092 175.510 0.041 0.000 1.598 438 N CA -0.910 52.331 53.050 0.318 0.000 0.830 438 N CB 0.203 38.752 38.487 0.102 0.000 1.849 438 N HN 0.211 nan 8.380 nan 0.000 0.598 439 F N 0.848 120.612 119.950 -0.310 0.000 2.434 439 F HA 0.350 4.859 4.527 -0.030 0.000 0.358 439 F C 0.485 175.893 175.800 -0.654 0.000 1.136 439 F CA -0.427 57.096 58.000 -0.794 0.000 1.157 439 F CB 0.572 39.139 39.000 -0.723 0.000 1.167 439 F HN 0.621 nan 8.300 nan 0.000 0.539 440 E N 7.399 127.019 120.200 -0.967 0.000 2.232 440 E HA 0.189 4.521 4.350 -0.031 0.000 0.296 440 E C -0.174 176.035 176.600 -0.653 0.000 1.372 440 E CA -0.164 55.850 56.400 -0.643 0.000 1.527 440 E CB -0.494 29.145 29.700 -0.100 0.000 1.424 440 E HN 0.749 nan 8.360 nan 0.000 0.485 441 W N 0.332 121.139 121.300 -0.821 0.000 2.259 441 W HA -0.506 4.136 4.660 -0.029 0.000 0.293 441 W C 1.393 177.788 176.519 -0.207 0.000 1.351 441 W CA 0.850 57.871 57.345 -0.540 0.000 1.295 441 W CB -1.335 27.968 29.460 -0.261 0.000 0.892 441 W HN 0.241 nan 8.180 nan 0.000 0.520 442 L N -0.013 121.463 121.223 0.422 0.000 2.265 442 L HA -0.144 4.177 4.340 -0.031 0.000 0.215 442 L C 2.057 179.004 176.870 0.129 0.000 1.117 442 L CA 1.660 56.714 54.840 0.356 0.000 0.782 442 L CB -0.894 41.366 42.059 0.336 0.000 0.914 442 L HN 0.243 nan 8.230 nan 0.000 0.441 443 S N -0.562 115.148 115.700 0.016 0.000 2.562 443 S HA 0.161 4.613 4.470 -0.031 0.000 0.221 443 S C 1.439 175.924 174.600 -0.193 0.000 0.975 443 S CA 0.452 58.627 58.200 -0.041 0.000 0.918 443 S CB 0.039 63.241 63.200 0.004 0.000 0.772 443 S HN 0.665 nan 8.310 nan 0.000 0.531 444 G N 1.577 110.096 108.800 -0.468 0.000 2.614 444 G HA2 -0.344 3.597 3.960 -0.031 0.000 0.303 444 G HA3 -0.344 3.597 3.960 -0.031 0.000 0.303 444 G C 0.173 174.607 174.900 -0.778 0.000 1.270 444 G CA 0.758 45.431 45.100 -0.711 0.000 0.988 444 G HN 0.520 nan 8.290 nan 0.000 0.551 445 Y N 1.765 121.938 120.300 -0.212 0.000 2.495 445 Y HA 0.314 4.846 4.550 -0.029 0.000 0.293 445 Y C 2.761 178.583 175.900 -0.131 0.000 1.186 445 Y CA 1.090 59.006 58.100 -0.306 0.000 1.266 445 Y CB 0.095 38.222 38.460 -0.555 0.000 1.101 445 Y HN 0.646 nan 8.280 nan 0.000 0.517 446 T N -3.966 110.581 114.554 -0.011 0.000 3.100 446 T HA 0.052 4.383 4.350 -0.031 0.000 0.253 446 T C 0.668 175.385 174.700 0.028 0.000 1.118 446 T CA 0.242 62.364 62.100 0.037 0.000 1.058 446 T CB 0.031 68.916 68.868 0.028 0.000 0.953 446 T HN 0.112 nan 8.240 nan 0.000 0.515 447 S N 0.458 116.159 115.700 0.002 0.000 2.605 447 S HA 0.639 5.090 4.470 -0.031 0.000 0.308 447 S C -1.423 173.201 174.600 0.039 0.000 1.113 447 S CA -0.820 57.375 58.200 -0.008 0.000 1.049 447 S CB 0.932 64.149 63.200 0.029 0.000 1.001 447 S HN 0.183 nan 8.310 nan 0.000 0.480 448 K N 4.112 124.505 120.400 -0.012 0.000 2.414 448 K HA 0.445 4.747 4.320 -0.031 0.000 0.251 448 K C -0.587 175.997 176.600 -0.027 0.000 1.037 448 K CA -0.214 56.104 56.287 0.052 0.000 0.980 448 K CB 0.311 32.841 32.500 0.049 0.000 1.280 448 K HN 0.623 nan 8.250 nan 0.000 0.451 449 F N 0.190 120.197 119.950 0.094 0.000 2.776 449 F HA 0.211 4.719 4.527 -0.032 0.000 0.300 449 F C 1.456 177.279 175.800 0.038 0.000 1.116 449 F CA -0.260 57.804 58.000 0.107 0.000 1.375 449 F CB 0.429 39.604 39.000 0.291 0.000 1.109 449 F HN 0.545 nan 8.300 nan 0.000 0.585 450 G N 0.735 109.628 108.800 0.154 0.000 2.503 450 G HA2 0.303 4.244 3.960 -0.031 0.000 0.257 450 G HA3 0.303 4.244 3.960 -0.031 0.000 0.257 450 G C 1.098 176.073 174.900 0.127 0.000 1.214 450 G CA -0.394 44.744 45.100 0.064 0.000 0.839 450 G HN 0.407 nan 8.290 nan 0.000 0.559 451 I N -1.049 119.584 120.570 0.105 0.000 3.251 451 I HA 0.214 4.366 4.170 -0.031 0.000 0.277 451 I C -0.153 176.033 176.117 0.116 0.000 1.268 451 I CA 0.064 61.465 61.300 0.170 0.000 1.449 451 I CB 0.006 38.122 38.000 0.193 0.000 1.083 451 I HN 0.005 nan 8.210 nan 0.000 0.464 452 V N 1.739 121.685 119.914 0.052 0.000 2.417 452 V HA 0.243 4.345 4.120 -0.031 0.000 0.291 452 V C -0.564 175.574 176.094 0.073 0.000 1.024 452 V CA -0.730 61.597 62.300 0.045 0.000 0.861 452 V CB 1.137 32.936 31.823 -0.041 0.000 0.985 452 V HN 0.220 nan 8.190 nan 0.000 0.436 453 Y N 5.490 125.797 120.300 0.012 0.000 2.425 453 Y HA 0.451 4.983 4.550 -0.029 0.000 0.331 453 Y C -0.189 175.651 175.900 -0.099 0.000 1.157 453 Y CA -0.111 57.971 58.100 -0.030 0.000 1.372 453 Y CB 1.048 39.539 38.460 0.051 0.000 1.253 453 Y HN 0.376 nan 8.280 nan 0.000 0.536 454 V N 6.967 126.300 119.914 -0.968 0.000 2.407 454 V HA 0.137 4.238 4.120 -0.031 0.000 0.291 454 V C -0.535 174.605 176.094 -1.590 0.000 1.018 454 V CA -1.180 60.443 62.300 -1.127 0.000 0.842 454 V CB 1.432 32.593 31.823 -1.103 0.000 0.996 454 V HN 0.752 nan 8.190 nan 0.000 0.426 455 D N 3.694 123.403 120.400 -1.152 0.000 2.346 455 D HA 0.127 4.748 4.640 -0.031 0.000 0.260 455 D C 0.474 176.461 176.300 -0.523 0.000 1.252 455 D CA 0.027 53.648 54.000 -0.632 0.000 0.895 455 D CB 0.827 41.543 40.800 -0.139 0.000 1.097 455 D HN 0.409 nan 8.370 nan 0.000 0.489 456 F N 2.699 122.516 119.950 -0.222 0.000 2.802 456 F HA 0.022 4.530 4.527 -0.031 0.000 0.300 456 F C 1.982 177.681 175.800 -0.169 0.000 1.168 456 F CA -0.045 57.815 58.000 -0.233 0.000 1.433 456 F CB -0.006 38.802 39.000 -0.320 0.000 1.115 456 F HN 0.343 nan 8.300 nan 0.000 0.582 457 N N -0.503 118.209 118.700 0.019 0.000 2.220 457 N HA -0.083 4.638 4.740 -0.031 0.000 0.182 457 N C 2.077 177.576 175.510 -0.019 0.000 1.023 457 N CA 2.026 55.082 53.050 0.010 0.000 0.856 457 N CB -0.667 37.840 38.487 0.034 0.000 0.997 457 N HN 0.279 nan 8.380 nan 0.000 0.429 458 T N -1.620 112.909 114.554 -0.042 0.000 3.022 458 T HA 0.284 4.616 4.350 -0.031 0.000 0.250 458 T C 1.095 175.740 174.700 -0.091 0.000 1.060 458 T CA -0.082 61.991 62.100 -0.045 0.000 1.013 458 T CB 0.140 68.999 68.868 -0.015 0.000 0.982 458 T HN 0.166 nan 8.240 nan 0.000 0.508 459 L N -0.156 120.971 121.223 -0.159 0.000 4.813 459 L HA -0.195 4.127 4.340 -0.031 0.000 0.434 459 L C 0.029 176.748 176.870 -0.252 0.000 1.106 459 L CA 0.543 55.245 54.840 -0.231 0.000 0.991 459 L CB -2.036 39.938 42.059 -0.142 0.000 2.005 459 L HN 0.475 nan 8.230 nan 0.000 0.817 460 E N 0.514 120.584 120.200 -0.216 0.000 2.414 460 E HA 0.219 4.550 4.350 -0.031 0.000 0.263 460 E C 0.407 176.793 176.600 -0.356 0.000 1.000 460 E CA -0.188 56.060 56.400 -0.254 0.000 0.914 460 E CB 0.481 30.070 29.700 -0.186 0.000 0.948 460 E HN 0.076 nan 8.360 nan 0.000 0.444 461 R N 1.642 121.918 120.500 -0.373 0.000 2.349 461 R HA 0.367 4.689 4.340 -0.031 0.000 0.299 461 R C -1.027 175.036 176.300 -0.395 0.000 1.027 461 R CA -0.315 55.600 56.100 -0.310 0.000 0.958 461 R CB 0.757 30.929 30.300 -0.214 0.000 1.047 461 R HN 0.484 nan 8.270 nan 0.000 0.468 462 H N 2.099 121.190 119.070 0.035 0.000 3.108 462 H HA 0.294 4.833 4.556 -0.029 0.000 0.329 462 H C -2.372 173.033 175.328 0.127 0.000 0.978 462 H CA -2.043 54.086 56.048 0.134 0.000 1.413 462 H CB 1.578 31.495 29.762 0.259 0.000 1.670 462 H HN 0.402 nan 8.280 nan 0.000 0.512 463 P HA -0.006 nan 4.420 nan 0.000 0.264 463 P C -0.267 177.116 177.300 0.138 0.000 1.193 463 P CA 0.047 63.156 63.100 0.014 0.000 0.763 463 P CB 0.862 32.383 31.700 -0.298 0.000 0.810 464 K N 2.043 122.536 120.400 0.154 0.000 2.117 464 K HA 0.416 4.717 4.320 -0.031 0.000 0.240 464 K C 1.565 178.364 176.600 0.331 0.000 1.031 464 K CA -0.499 55.935 56.287 0.245 0.000 0.909 464 K CB 0.341 32.982 32.500 0.235 0.000 1.097 464 K HN 0.279 nan 8.250 nan 0.000 0.492 465 A N 1.017 124.078 122.820 0.402 0.000 1.927 465 A HA -0.251 4.051 4.320 -0.031 0.000 0.220 465 A C 2.168 180.066 177.584 0.523 0.000 1.185 465 A CA 2.607 54.964 52.037 0.534 0.000 0.639 465 A CB -1.105 18.159 19.000 0.439 0.000 0.820 465 A HN 0.806 nan 8.150 nan 0.000 0.451 466 S N 0.099 116.023 115.700 0.374 0.000 2.382 466 S HA 0.028 4.480 4.470 -0.031 0.000 0.228 466 S C 2.085 176.958 174.600 0.454 0.000 1.027 466 S CA 1.366 59.784 58.200 0.364 0.000 0.991 466 S CB -0.781 62.654 63.200 0.392 0.000 0.823 466 S HN 1.003 nan 8.310 nan 0.000 0.469 467 A N 1.060 124.074 122.820 0.324 0.000 1.908 467 A HA -0.026 4.276 4.320 -0.031 0.000 0.218 467 A C 2.025 179.688 177.584 0.131 0.000 1.181 467 A CA 1.488 53.645 52.037 0.200 0.000 0.627 467 A CB -1.211 17.755 19.000 -0.056 0.000 0.818 467 A HN 0.656 nan 8.150 nan 0.000 0.445 468 Y N -2.879 117.626 120.300 0.342 0.000 2.293 468 Y HA -0.197 4.334 4.550 -0.031 0.000 0.291 468 Y C 2.217 178.319 175.900 0.338 0.000 1.137 468 Y CA 1.073 59.373 58.100 0.333 0.000 1.202 468 Y CB -0.335 38.355 38.460 0.384 0.000 0.990 468 Y HN 0.606 nan 8.280 nan 0.000 0.537 469 W N 0.048 121.453 121.300 0.174 0.000 2.335 469 W HA -0.267 4.374 4.660 -0.032 0.000 0.311 469 W C 1.602 177.888 176.519 -0.389 0.000 1.213 469 W CA 1.804 58.871 57.345 -0.464 0.000 1.274 469 W CB -0.696 28.262 29.460 -0.837 0.000 1.148 469 W HN 0.013 nan 8.180 nan 0.000 0.498 470 F N 0.361 120.314 119.950 0.006 0.000 2.102 470 F HA -0.144 4.365 4.527 -0.030 0.000 0.298 470 F C 2.761 178.277 175.800 -0.473 0.000 1.105 470 F CA 2.308 60.125 58.000 -0.306 0.000 1.239 470 F CB -1.194 37.708 39.000 -0.163 0.000 0.991 470 F HN -0.189 nan 8.300 nan 0.000 0.474 471 R N 0.470 120.926 120.500 -0.072 0.000 2.091 471 R HA -0.186 4.135 4.340 -0.031 0.000 0.238 471 R C 1.786 177.995 176.300 -0.152 0.000 1.136 471 R CA 2.134 58.168 56.100 -0.109 0.000 0.959 471 R CB -0.402 29.934 30.300 0.059 0.000 0.856 471 R HN 0.175 nan 8.270 nan 0.000 0.437 472 D N 0.089 120.414 120.400 -0.126 0.000 2.097 472 D HA -0.191 4.430 4.640 -0.031 0.000 0.197 472 D C 1.848 177.936 176.300 -0.354 0.000 0.984 472 D CA 1.021 54.934 54.000 -0.144 0.000 0.826 472 D CB -0.233 40.578 40.800 0.020 0.000 0.973 472 D HN 0.215 nan 8.370 nan 0.000 0.460 473 M N 0.229 119.433 119.600 -0.661 0.000 2.159 473 M HA -0.090 4.371 4.480 -0.031 0.000 0.263 473 M C 1.544 177.495 176.300 -0.582 0.000 1.063 473 M CA 1.146 55.984 55.300 -0.770 0.000 1.110 473 M CB -0.149 31.679 32.600 -1.287 0.000 1.374 473 M HN 0.007 nan 8.290 nan 0.000 0.411 474 L N 0.526 121.405 121.223 -0.574 0.000 2.592 474 L HA 0.058 4.380 4.340 -0.031 0.000 0.227 474 L C 0.649 177.216 176.870 -0.505 0.000 1.127 474 L CA -0.268 54.214 54.840 -0.596 0.000 0.884 474 L CB -0.318 41.321 42.059 -0.699 0.000 1.065 474 L HN 0.216 nan 8.230 nan 0.000 0.457 475 K N -0.136 120.061 120.400 -0.339 0.000 2.489 475 K HA 0.062 4.363 4.320 -0.031 0.000 0.278 475 K C -0.514 175.961 176.600 -0.209 0.000 1.000 475 K CA -0.133 56.024 56.287 -0.217 0.000 1.012 475 K CB 0.550 32.987 32.500 -0.106 0.000 0.903 475 K HN 0.074 nan 8.250 nan 0.000 0.485 476 H N 0.000 119.031 119.070 -0.065 0.000 2.539 476 H HA 0.000 4.537 4.556 -0.031 0.000 0.296 476 H CA 0.000 56.026 56.048 -0.036 0.000 1.023 476 H CB 0.000 29.748 29.762 -0.023 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496