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 1fup_1_A DATA FIRST_RESID 5 DATA SEQUENCE RSEKDSMGAI DVPADKLWGA QTQRSLEHFR ISTEKMPTSL IHALALTKRA DATA SEQUENCE AAKVNEDLGL LSEEKASAIR QAADEVLAGQ HDDEFPLAIW QTGSGTQSNM DATA SEQUENCE NMNEVLANRA SELLGGVRGM ERKVHPNDDV NKSQSSNDVF PTAMHVAALL DATA SEQUENCE ALRKQLIPQL KTLTQTLNEK SRAFADIVKI GRTHLQDATP LTLGQEISGW DATA SEQUENCE VAMLEHNLKH IEYSLPHVAE LALGGTAVGT GLNTHPEYAR RVADELAVIT DATA SEQUENCE CAPFVTAPNK FEALATCDAL VQAHGALKGL AASLMKIAND VRWLASGPRC DATA SEQUENCE GIGEISIPEN EPGSSIMPGK VNPTQCEALT MLCCQVMGND VAINMGGASG DATA SEQUENCE NFELNVFRPM VIHNFLQSVR LLADGMESFN KHCAVGIEPN RERINQLLNE DATA SEQUENCE SLMLVTALNT HIGYDKAAEI AKKAHKEGLT LKAAALALGY LSEAEFDSWV DATA SEQUENCE RPEQM 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 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.277 176.300 -0.039 0.000 0.893 5 R CA 0.000 56.066 56.100 -0.057 0.000 0.921 5 R CB 0.000 30.251 30.300 -0.082 0.000 0.687 6 S N 1.208 116.893 115.700 -0.026 0.000 2.498 6 S HA 0.371 4.841 4.470 -0.000 0.000 0.324 6 S C -1.064 173.533 174.600 -0.004 0.000 1.071 6 S CA -0.597 57.597 58.200 -0.010 0.000 1.113 6 S CB 0.819 64.016 63.200 -0.005 0.000 0.976 6 S HN 0.414 nan 8.310 nan 0.000 0.462 7 E N 3.045 123.249 120.200 0.007 0.000 2.212 7 E HA 0.498 4.848 4.350 -0.000 0.000 0.270 7 E C -0.474 176.145 176.600 0.031 0.000 0.956 7 E CA -0.661 55.750 56.400 0.019 0.000 0.825 7 E CB 1.986 31.705 29.700 0.032 0.000 1.167 7 E HN 0.751 nan 8.360 nan 0.000 0.400 8 K N 0.151 120.572 120.400 0.035 0.000 2.509 8 K HA 0.531 4.851 4.320 -0.000 0.000 0.266 8 K C -1.281 175.344 176.600 0.043 0.000 0.987 8 K CA -0.757 55.553 56.287 0.037 0.000 0.868 8 K CB 1.948 34.465 32.500 0.029 0.000 1.421 8 K HN 0.393 nan 8.250 nan 0.000 0.444 9 D N -0.562 119.863 120.400 0.041 0.000 3.009 9 D HA 0.147 4.787 4.640 -0.000 0.000 0.318 9 D C 0.737 177.056 176.300 0.032 0.000 1.273 9 D CA -0.163 53.861 54.000 0.040 0.000 1.001 9 D CB 0.244 41.072 40.800 0.046 0.000 1.411 9 D HN 0.466 nan 8.370 nan 0.000 0.577 10 S N -0.510 115.207 115.700 0.029 0.000 2.374 10 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 10 S C 1.778 176.392 174.600 0.023 0.000 1.037 10 S CA 1.205 59.418 58.200 0.022 0.000 1.024 10 S CB -0.775 62.436 63.200 0.018 0.000 0.861 10 S HN 0.509 nan 8.310 nan 0.000 0.456 11 M N 1.740 121.358 119.600 0.029 0.000 2.686 11 M HA 0.224 4.704 4.480 -0.000 0.000 0.246 11 M C 1.349 177.667 176.300 0.030 0.000 1.096 11 M CA 0.626 55.945 55.300 0.031 0.000 1.076 11 M CB -0.694 31.932 32.600 0.042 0.000 1.504 11 M HN 0.705 nan 8.290 nan 0.000 0.524 12 G N 0.139 108.956 108.800 0.029 0.000 2.352 12 G HA2 0.123 4.083 3.960 -0.000 0.000 0.324 12 G HA3 0.123 4.083 3.960 -0.000 0.000 0.324 12 G C -1.344 173.574 174.900 0.030 0.000 1.249 12 G CA -0.572 44.544 45.100 0.026 0.000 1.053 12 G HN 0.464 nan 8.290 nan 0.000 0.492 13 A N -0.724 122.112 122.820 0.026 0.000 2.282 13 A HA 0.930 5.250 4.320 -0.000 0.000 0.319 13 A C -0.104 177.497 177.584 0.029 0.000 1.121 13 A CA 0.135 52.187 52.037 0.026 0.000 0.836 13 A CB 1.248 20.259 19.000 0.019 0.000 1.146 13 A HN 2.121 nan 8.150 nan 0.000 0.494 14 I N 0.059 120.648 120.570 0.031 0.000 2.787 14 I HA 0.275 4.445 4.170 -0.000 0.000 0.294 14 I C -1.743 174.392 176.117 0.031 0.000 1.365 14 I CA -0.720 60.599 61.300 0.033 0.000 1.029 14 I CB 2.083 40.109 38.000 0.044 0.000 1.313 14 I HN 0.583 nan 8.210 nan 0.000 0.431 15 D N 6.583 126.997 120.400 0.024 0.000 2.308 15 D HA 0.398 5.038 4.640 -0.000 0.000 0.251 15 D C -0.314 176.002 176.300 0.027 0.000 1.127 15 D CA 0.195 54.203 54.000 0.013 0.000 0.876 15 D CB 1.829 42.631 40.800 0.005 0.000 1.176 15 D HN 0.343 nan 8.370 nan 0.000 0.446 16 V N -0.124 119.787 119.914 -0.005 0.000 2.769 16 V HA 0.627 4.747 4.120 -0.000 0.000 0.312 16 V C -2.672 173.341 176.094 -0.135 0.000 1.061 16 V CA -2.380 59.901 62.300 -0.031 0.000 0.931 16 V CB 2.053 33.829 31.823 -0.077 0.000 1.010 16 V HN 0.283 nan 8.190 nan 0.000 0.433 17 P HA 0.099 nan 4.420 nan 0.000 0.262 17 P C 0.902 178.036 177.300 -0.277 0.000 1.199 17 P CA 0.711 63.684 63.100 -0.210 0.000 0.763 17 P CB 1.181 32.747 31.700 -0.224 0.000 0.790 18 A N 5.116 127.830 122.820 -0.177 0.000 1.927 18 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 18 A C 1.580 179.055 177.584 -0.181 0.000 1.185 18 A CA 2.180 54.122 52.037 -0.158 0.000 0.639 18 A CB -1.083 17.857 19.000 -0.101 0.000 0.820 18 A HN 0.631 nan 8.150 nan 0.000 0.451 19 D N -0.980 119.314 120.400 -0.178 0.000 2.338 19 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 19 D C 0.038 176.198 176.300 -0.232 0.000 1.095 19 D CA 0.369 54.273 54.000 -0.161 0.000 0.888 19 D CB -0.001 40.734 40.800 -0.110 0.000 0.899 19 D HN 0.134 nan 8.370 nan 0.000 0.525 20 K N 0.404 120.570 120.400 -0.390 0.000 2.208 20 K HA 0.374 4.694 4.320 -0.000 0.000 0.247 20 K C 0.886 177.203 176.600 -0.472 0.000 0.953 20 K CA -0.789 55.148 56.287 -0.582 0.000 0.837 20 K CB 2.308 34.011 32.500 -1.329 0.000 1.131 20 K HN -0.016 nan 8.250 nan 0.000 0.431 21 L N 0.493 121.512 121.223 -0.341 0.000 2.592 21 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 21 L C 0.411 177.206 176.870 -0.126 0.000 1.127 21 L CA -0.255 54.456 54.840 -0.216 0.000 0.884 21 L CB -0.025 41.918 42.059 -0.193 0.000 1.065 21 L HN 0.561 nan 8.230 nan 0.000 0.457 22 W N -0.074 121.139 121.300 -0.146 0.000 2.141 22 W HA 0.621 5.281 4.660 -0.000 0.000 0.354 22 W C 0.562 177.035 176.519 -0.076 0.000 1.297 22 W CA -0.872 56.396 57.345 -0.128 0.000 1.380 22 W CB -0.137 29.238 29.460 -0.140 0.000 1.168 22 W HN -0.157 nan 8.180 nan 0.000 0.639 23 G N -0.349 108.645 108.800 0.322 0.000 2.857 23 G HA2 0.462 4.422 3.960 -0.000 0.000 0.217 23 G HA3 0.462 4.422 3.960 -0.000 0.000 0.217 23 G C 0.578 175.624 174.900 0.244 0.000 1.357 23 G CA -0.477 44.744 45.100 0.202 0.000 1.033 23 G HN 0.948 nan 8.290 nan 0.000 0.571 24 A N -1.031 121.872 122.820 0.138 0.000 1.877 24 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 24 A C 2.246 179.890 177.584 0.100 0.000 1.186 24 A CA 2.028 54.134 52.037 0.114 0.000 0.620 24 A CB -0.726 18.320 19.000 0.078 0.000 0.822 24 A HN 0.627 nan 8.150 nan 0.000 0.443 25 Q N -0.873 118.977 119.800 0.083 0.000 2.135 25 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 25 Q C 2.094 178.115 176.000 0.035 0.000 0.981 25 Q CA 1.872 57.713 55.803 0.063 0.000 0.856 25 Q CB -0.411 28.356 28.738 0.049 0.000 0.902 25 Q HN 0.681 nan 8.270 nan 0.000 0.425 26 T N 0.535 115.094 114.554 0.008 0.000 2.857 26 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 26 T C 1.730 176.316 174.700 -0.190 0.000 1.048 26 T CA 1.272 63.285 62.100 -0.145 0.000 1.139 26 T CB -0.100 68.594 68.868 -0.291 0.000 0.874 26 T HN 0.156 nan 8.240 nan 0.000 0.455 27 Q N 1.232 121.027 119.800 -0.009 0.000 2.119 27 Q HA 0.024 4.364 4.340 -0.000 0.000 0.201 27 Q C 2.313 178.307 176.000 -0.011 0.000 0.972 27 Q CA 1.473 57.315 55.803 0.065 0.000 0.847 27 Q CB -0.109 28.760 28.738 0.219 0.000 0.903 27 Q HN 0.412 nan 8.270 nan 0.000 0.433 28 R N -0.835 119.670 120.500 0.008 0.000 2.075 28 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 28 R C 2.411 178.684 176.300 -0.045 0.000 1.126 28 R CA 1.466 57.546 56.100 -0.034 0.000 0.963 28 R CB -0.245 30.134 30.300 0.132 0.000 0.858 28 R HN 0.184 nan 8.270 nan 0.000 0.435 29 S N 1.328 117.094 115.700 0.110 0.000 2.382 29 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 29 S C 1.772 176.467 174.600 0.158 0.000 1.027 29 S CA 0.791 59.152 58.200 0.268 0.000 0.991 29 S CB -0.196 63.091 63.200 0.146 0.000 0.823 29 S HN 0.122 nan 8.310 nan 0.000 0.469 30 L N 1.822 123.029 121.223 -0.026 0.000 2.265 30 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 30 L C 1.854 178.686 176.870 -0.063 0.000 1.117 30 L CA 1.646 56.445 54.840 -0.069 0.000 0.782 30 L CB -0.510 41.459 42.059 -0.151 0.000 0.914 30 L HN 0.292 nan 8.230 nan 0.000 0.441 31 E N -2.581 117.526 120.200 -0.156 0.000 2.364 31 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 31 E C 1.480 177.906 176.600 -0.288 0.000 0.990 31 E CA 0.438 56.695 56.400 -0.239 0.000 0.886 31 E CB 0.082 29.579 29.700 -0.338 0.000 0.866 31 E HN 0.659 nan 8.360 nan 0.000 0.493 32 H N -1.222 117.791 119.070 -0.096 0.000 2.582 32 H HA 0.135 4.691 4.556 -0.000 0.000 0.269 32 H C 0.034 175.001 175.328 -0.601 0.000 0.962 32 H CA 0.214 56.055 56.048 -0.345 0.000 1.230 32 H CB 0.470 29.964 29.762 -0.448 0.000 1.445 32 H HN -0.017 nan 8.280 nan 0.000 0.528 33 F N 1.180 121.177 119.950 0.079 0.000 2.532 33 F HA 0.329 4.856 4.527 -0.000 0.000 0.313 33 F C 0.075 175.899 175.800 0.040 0.000 1.301 33 F CA -0.568 57.466 58.000 0.056 0.000 1.154 33 F CB 0.463 39.485 39.000 0.038 0.000 1.335 33 F HN -0.143 nan 8.300 nan 0.000 0.542 34 R N 1.842 122.405 120.500 0.106 0.000 4.390 34 R HA 0.400 4.740 4.340 -0.000 0.000 0.229 34 R C -0.600 175.757 176.300 0.095 0.000 1.674 34 R CA -0.030 56.118 56.100 0.082 0.000 1.526 34 R CB -0.028 30.288 30.300 0.028 0.000 1.418 34 R HN 0.403 nan 8.270 nan 0.000 0.790 35 I N 0.512 121.182 120.570 0.167 0.000 2.355 35 I HA 0.136 4.306 4.170 -0.000 0.000 0.288 35 I C 0.673 176.912 176.117 0.204 0.000 0.999 35 I CA -0.251 61.142 61.300 0.154 0.000 1.163 35 I CB 1.609 39.725 38.000 0.193 0.000 1.316 35 I HN 0.423 nan 8.210 nan 0.000 0.454 36 S N 4.029 119.783 115.700 0.091 0.000 3.251 36 S HA -0.260 4.210 4.470 -0.000 0.000 0.633 36 S C 1.043 175.729 174.600 0.142 0.000 2.788 36 S CA 1.515 59.775 58.200 0.100 0.000 3.086 36 S CB -0.701 62.547 63.200 0.080 0.000 0.327 36 S HN 0.965 nan 8.310 nan 0.000 1.718 37 T N -1.362 113.284 114.554 0.153 0.000 3.040 37 T HA 0.454 4.804 4.350 -0.000 0.000 0.266 37 T C -0.077 174.686 174.700 0.106 0.000 1.005 37 T CA 0.413 62.581 62.100 0.114 0.000 0.906 37 T CB 0.081 69.001 68.868 0.087 0.000 1.082 37 T HN 0.501 nan 8.240 nan 0.000 0.531 38 E N 2.477 122.766 120.200 0.148 0.000 2.290 38 E HA 0.438 4.788 4.350 -0.000 0.000 0.277 38 E C 0.058 176.587 176.600 -0.119 0.000 1.035 38 E CA -0.097 56.308 56.400 0.008 0.000 0.873 38 E CB 0.639 30.282 29.700 -0.094 0.000 1.029 38 E HN 0.208 nan 8.360 nan 0.000 0.419 39 K N 1.919 122.265 120.400 -0.091 0.000 2.313 39 K HA 0.457 4.777 4.320 -0.000 0.000 0.235 39 K C 0.155 176.693 176.600 -0.103 0.000 1.035 39 K CA -1.043 55.185 56.287 -0.097 0.000 0.868 39 K CB 0.737 33.224 32.500 -0.021 0.000 1.232 39 K HN 0.408 nan 8.250 nan 0.000 0.459 40 M N 3.069 122.621 119.600 -0.080 0.000 2.248 40 M HA 0.118 4.598 4.480 -0.000 0.000 0.345 40 M C -1.826 174.451 176.300 -0.038 0.000 1.243 40 M CA -1.378 53.889 55.300 -0.056 0.000 1.090 40 M CB -0.635 31.939 32.600 -0.043 0.000 1.683 40 M HN 0.254 nan 8.290 nan 0.000 0.450 41 P HA 0.206 nan 4.420 nan 0.000 0.277 41 P C 0.323 177.560 177.300 -0.106 0.000 1.240 41 P CA -0.215 62.864 63.100 -0.035 0.000 0.798 41 P CB 0.451 32.150 31.700 -0.002 0.000 0.979 42 T N 0.929 115.401 114.554 -0.137 0.000 2.685 42 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 42 T C 1.898 176.328 174.700 -0.450 0.000 1.034 42 T CA 2.586 64.515 62.100 -0.285 0.000 1.149 42 T CB -0.929 67.767 68.868 -0.286 0.000 0.860 42 T HN 0.674 nan 8.240 nan 0.000 0.449 43 S N 1.676 117.201 115.700 -0.292 0.000 2.400 43 S HA -0.011 4.459 4.470 -0.000 0.000 0.232 43 S C 1.997 176.518 174.600 -0.132 0.000 1.025 43 S CA 0.599 58.675 58.200 -0.206 0.000 0.993 43 S CB -0.612 62.536 63.200 -0.086 0.000 0.808 43 S HN 0.344 nan 8.310 nan 0.000 0.478 44 L N 0.987 122.132 121.223 -0.131 0.000 2.095 44 L HA 0.067 4.407 4.340 -0.000 0.000 0.204 44 L C 2.236 179.015 176.870 -0.151 0.000 1.080 44 L CA 1.403 56.164 54.840 -0.131 0.000 0.759 44 L CB -0.831 41.158 42.059 -0.117 0.000 0.914 44 L HN 0.264 nan 8.230 nan 0.000 0.439 45 I N -0.040 120.411 120.570 -0.198 0.000 2.163 45 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 45 I C 2.521 178.578 176.117 -0.100 0.000 1.085 45 I CA 1.455 62.582 61.300 -0.287 0.000 1.347 45 I CB -1.453 36.292 38.000 -0.425 0.000 1.044 45 I HN 0.418 nan 8.210 nan 0.000 0.408 46 H N 0.424 119.405 119.070 -0.149 0.000 2.321 46 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 46 H C 2.265 177.542 175.328 -0.085 0.000 1.087 46 H CA 1.061 57.056 56.048 -0.088 0.000 1.319 46 H CB 0.181 29.916 29.762 -0.045 0.000 1.379 46 H HN 0.349 nan 8.280 nan 0.000 0.501 47 A N 1.119 123.961 122.820 0.037 0.000 1.940 47 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 47 A C 2.284 179.819 177.584 -0.081 0.000 1.176 47 A CA 1.210 53.223 52.037 -0.040 0.000 0.631 47 A CB -0.561 18.393 19.000 -0.077 0.000 0.814 47 A HN 0.253 nan 8.150 nan 0.000 0.446 48 L N -0.383 120.785 121.223 -0.091 0.000 2.056 48 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 48 L C 2.743 179.588 176.870 -0.042 0.000 1.078 48 L CA 1.993 56.785 54.840 -0.079 0.000 0.749 48 L CB -1.006 41.005 42.059 -0.081 0.000 0.901 48 L HN 0.365 nan 8.230 nan 0.000 0.433 49 A N -0.790 122.010 122.820 -0.035 0.000 1.902 49 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 49 A C 2.287 179.862 177.584 -0.016 0.000 1.181 49 A CA 1.837 53.871 52.037 -0.004 0.000 0.623 49 A CB -0.816 18.186 19.000 0.003 0.000 0.818 49 A HN 0.456 nan 8.150 nan 0.000 0.443 50 L N -0.644 120.560 121.223 -0.032 0.000 2.083 50 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 50 L C 2.756 179.587 176.870 -0.064 0.000 1.083 50 L CA 1.730 56.543 54.840 -0.045 0.000 0.752 50 L CB -0.734 41.296 42.059 -0.049 0.000 0.899 50 L HN 0.364 nan 8.230 nan 0.000 0.433 51 T N -0.896 113.612 114.554 -0.077 0.000 2.821 51 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 51 T C 1.924 176.601 174.700 -0.039 0.000 1.046 51 T CA 0.893 62.941 62.100 -0.085 0.000 1.139 51 T CB -0.014 68.797 68.868 -0.095 0.000 0.871 51 T HN 0.146 nan 8.240 nan 0.000 0.454 52 K N 1.144 121.537 120.400 -0.012 0.000 2.097 52 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 52 K C 2.344 178.950 176.600 0.011 0.000 1.050 52 K CA 0.823 57.120 56.287 0.015 0.000 0.938 52 K CB -0.331 32.188 32.500 0.032 0.000 0.718 52 K HN 0.300 nan 8.250 nan 0.000 0.442 53 R N 0.819 121.317 120.500 -0.002 0.000 2.070 53 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 53 R C 2.162 178.453 176.300 -0.014 0.000 1.137 53 R CA 1.545 57.643 56.100 -0.004 0.000 0.945 53 R CB -0.211 30.082 30.300 -0.011 0.000 0.845 53 R HN 0.142 nan 8.270 nan 0.000 0.430 54 A N 0.652 123.452 122.820 -0.035 0.000 1.933 54 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 54 A C 2.339 179.892 177.584 -0.051 0.000 1.175 54 A CA 1.620 53.624 52.037 -0.055 0.000 0.628 54 A CB -0.696 18.250 19.000 -0.090 0.000 0.814 54 A HN 0.559 nan 8.150 nan 0.000 0.444 55 A N -0.154 122.653 122.820 -0.022 0.000 1.933 55 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 55 A C 2.473 180.102 177.584 0.076 0.000 1.175 55 A CA 1.988 54.052 52.037 0.046 0.000 0.628 55 A CB -0.907 18.159 19.000 0.110 0.000 0.814 55 A HN 1.005 nan 8.150 nan 0.000 0.444 56 A N -0.209 122.637 122.820 0.043 0.000 1.898 56 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 56 A C 2.078 179.679 177.584 0.028 0.000 1.181 56 A CA 2.263 54.324 52.037 0.040 0.000 0.620 56 A CB -0.402 18.614 19.000 0.027 0.000 0.819 56 A HN 0.436 nan 8.150 nan 0.000 0.442 57 K N -0.132 120.274 120.400 0.009 0.000 2.002 57 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 57 K C 1.730 178.328 176.600 -0.003 0.000 1.048 57 K CA 1.921 58.207 56.287 -0.002 0.000 0.930 57 K CB -0.686 31.806 32.500 -0.014 0.000 0.714 57 K HN 0.186 nan 8.250 nan 0.000 0.438 58 V N 1.716 121.622 119.914 -0.013 0.000 2.343 58 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 58 V C 2.029 178.150 176.094 0.044 0.000 1.051 58 V CA 1.982 64.272 62.300 -0.017 0.000 1.036 58 V CB -0.705 31.050 31.823 -0.112 0.000 0.654 58 V HN 0.387 nan 8.190 nan 0.000 0.451 59 N N 0.031 118.791 118.700 0.100 0.000 2.149 59 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 59 N C 1.937 177.466 175.510 0.032 0.000 1.019 59 N CA 1.680 54.789 53.050 0.097 0.000 0.857 59 N CB -0.224 38.323 38.487 0.101 0.000 0.997 59 N HN 0.684 nan 8.380 nan 0.000 0.426 60 E N 0.687 120.900 120.200 0.022 0.000 2.047 60 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 60 E C 0.698 177.294 176.600 -0.008 0.000 0.987 60 E CA 1.122 57.525 56.400 0.006 0.000 0.799 60 E CB 0.079 29.782 29.700 0.006 0.000 0.752 60 E HN 0.195 nan 8.360 nan 0.000 0.449 61 D N 0.556 120.948 120.400 -0.012 0.000 2.149 61 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 61 D C 1.833 178.103 176.300 -0.051 0.000 0.990 61 D CA 0.893 54.878 54.000 -0.026 0.000 0.839 61 D CB -0.104 40.681 40.800 -0.026 0.000 0.948 61 D HN 0.283 nan 8.370 nan 0.000 0.460 62 L N -0.724 120.455 121.223 -0.073 0.000 2.599 62 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 62 L C 1.380 178.187 176.870 -0.106 0.000 1.141 62 L CA 0.306 55.052 54.840 -0.158 0.000 0.877 62 L CB -0.172 41.735 42.059 -0.253 0.000 1.009 62 L HN 0.104 nan 8.230 nan 0.000 0.447 63 G N 0.341 109.110 108.800 -0.051 0.000 2.147 63 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 63 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 63 G C 0.679 175.566 174.900 -0.021 0.000 1.005 63 G CA 0.333 45.415 45.100 -0.030 0.000 0.713 63 G HN 0.366 nan 8.290 nan 0.000 0.515 64 L N -1.652 119.560 121.223 -0.019 0.000 2.446 64 L HA 0.495 4.835 4.340 -0.000 0.000 0.219 64 L C 0.900 177.771 176.870 0.002 0.000 1.116 64 L CA 0.283 55.117 54.840 -0.010 0.000 0.844 64 L CB 0.215 42.267 42.059 -0.011 0.000 0.970 64 L HN 0.274 nan 8.230 nan 0.000 0.457 65 L N -0.558 120.670 121.223 0.007 0.000 2.431 65 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 65 L C 0.141 177.018 176.870 0.012 0.000 0.978 65 L CA -0.454 54.395 54.840 0.014 0.000 0.822 65 L CB 2.085 44.158 42.059 0.023 0.000 1.310 65 L HN -0.005 nan 8.230 nan 0.000 0.409 66 S N 1.730 117.438 115.700 0.014 0.000 2.572 66 S HA 0.110 4.580 4.470 -0.000 0.000 0.279 66 S C 0.953 175.560 174.600 0.011 0.000 1.341 66 S CA 0.226 58.433 58.200 0.012 0.000 1.043 66 S CB 0.788 63.996 63.200 0.014 0.000 0.887 66 S HN 0.827 nan 8.310 nan 0.000 0.516 67 E N 1.680 121.885 120.200 0.008 0.000 2.085 67 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 67 E C 1.924 178.529 176.600 0.008 0.000 0.994 67 E CA 1.786 58.190 56.400 0.007 0.000 0.801 67 E CB -0.235 29.468 29.700 0.005 0.000 0.743 67 E HN 0.967 nan 8.360 nan 0.000 0.453 68 E N 0.625 120.830 120.200 0.008 0.000 2.058 68 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 68 E C 1.999 178.604 176.600 0.009 0.000 0.997 68 E CA 1.389 57.794 56.400 0.008 0.000 0.801 68 E CB -0.194 29.511 29.700 0.008 0.000 0.746 68 E HN 0.150 nan 8.360 nan 0.000 0.450 69 K N 0.612 121.020 120.400 0.013 0.000 2.076 69 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 69 K C 2.411 179.020 176.600 0.015 0.000 1.051 69 K CA 0.835 57.131 56.287 0.014 0.000 0.949 69 K CB -0.191 32.323 32.500 0.023 0.000 0.726 69 K HN 0.205 nan 8.250 nan 0.000 0.443 70 A N 1.905 124.735 122.820 0.016 0.000 1.873 70 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 70 A C 2.268 179.860 177.584 0.013 0.000 1.193 70 A CA 2.582 54.629 52.037 0.016 0.000 0.629 70 A CB -0.913 18.096 19.000 0.015 0.000 0.826 70 A HN 0.423 nan 8.150 nan 0.000 0.447 71 S N 0.023 115.729 115.700 0.010 0.000 2.383 71 S HA 0.077 4.547 4.470 -0.000 0.000 0.227 71 S C 2.084 176.690 174.600 0.010 0.000 1.026 71 S CA 1.325 59.531 58.200 0.009 0.000 0.981 71 S CB -0.691 62.513 63.200 0.007 0.000 0.818 71 S HN 0.944 nan 8.310 nan 0.000 0.472 72 A N 2.015 124.840 122.820 0.009 0.000 1.898 72 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 72 A C 2.212 179.803 177.584 0.011 0.000 1.181 72 A CA 1.319 53.361 52.037 0.009 0.000 0.620 72 A CB -0.796 18.206 19.000 0.003 0.000 0.819 72 A HN 0.560 nan 8.150 nan 0.000 0.442 73 I N -0.768 119.809 120.570 0.013 0.000 2.179 73 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 73 I C 2.725 178.855 176.117 0.021 0.000 1.088 73 I CA 1.342 62.653 61.300 0.017 0.000 1.357 73 I CB -0.349 37.664 38.000 0.021 0.000 1.051 73 I HN 0.285 nan 8.210 nan 0.000 0.409 74 R N 0.216 120.726 120.500 0.018 0.000 2.120 74 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 74 R C 2.251 178.563 176.300 0.019 0.000 1.123 74 R CA 1.335 57.444 56.100 0.015 0.000 0.975 74 R CB -0.367 29.938 30.300 0.009 0.000 0.866 74 R HN 0.502 nan 8.270 nan 0.000 0.446 75 Q N 0.335 120.148 119.800 0.021 0.000 2.123 75 Q HA -0.075 4.265 4.340 -0.000 0.000 0.199 75 Q C 2.021 178.049 176.000 0.046 0.000 0.966 75 Q CA 1.330 57.149 55.803 0.027 0.000 0.845 75 Q CB 0.018 28.770 28.738 0.023 0.000 0.907 75 Q HN 0.355 nan 8.270 nan 0.000 0.439 76 A N 0.581 123.428 122.820 0.045 0.000 1.930 76 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 76 A C 2.215 179.852 177.584 0.088 0.000 1.175 76 A CA 1.466 53.541 52.037 0.063 0.000 0.627 76 A CB -0.790 18.221 19.000 0.017 0.000 0.815 76 A HN 0.524 nan 8.150 nan 0.000 0.443 77 A N 0.270 123.126 122.820 0.060 0.000 1.877 77 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 77 A C 1.739 179.349 177.584 0.043 0.000 1.186 77 A CA 1.805 53.876 52.037 0.056 0.000 0.620 77 A CB -0.597 18.421 19.000 0.029 0.000 0.822 77 A HN 0.441 nan 8.150 nan 0.000 0.443 78 D N -0.190 120.227 120.400 0.028 0.000 2.218 78 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 78 D C 1.825 178.135 176.300 0.016 0.000 0.976 78 D CA 1.270 55.273 54.000 0.005 0.000 0.853 78 D CB -0.338 40.465 40.800 0.004 0.000 0.939 78 D HN 0.665 nan 8.370 nan 0.000 0.481 79 E N 0.122 120.369 120.200 0.078 0.000 2.106 79 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 79 E C 2.250 178.922 176.600 0.120 0.000 0.984 79 E CA 0.359 56.817 56.400 0.096 0.000 0.806 79 E CB 0.249 30.085 29.700 0.226 0.000 0.750 79 E HN 0.096 nan 8.360 nan 0.000 0.458 80 V N 1.521 121.569 119.914 0.223 0.000 2.358 80 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 80 V C 2.279 178.366 176.094 -0.010 0.000 1.047 80 V CA 1.386 63.829 62.300 0.238 0.000 1.035 80 V CB -0.389 31.587 31.823 0.255 0.000 0.658 80 V HN 0.263 nan 8.190 nan 0.000 0.452 81 L N 0.328 121.454 121.223 -0.162 0.000 2.131 81 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 81 L C 2.470 179.161 176.870 -0.298 0.000 1.092 81 L CA 1.421 55.985 54.840 -0.460 0.000 0.759 81 L CB -0.674 41.215 42.059 -0.283 0.000 0.903 81 L HN 0.357 nan 8.230 nan 0.000 0.435 82 A N -0.321 122.429 122.820 -0.117 0.000 2.235 82 A HA 0.239 4.559 4.320 -0.000 0.000 0.208 82 A C 1.744 179.315 177.584 -0.021 0.000 1.172 82 A CA 0.765 52.767 52.037 -0.057 0.000 0.786 82 A CB -0.562 18.414 19.000 -0.041 0.000 0.804 82 A HN 0.536 nan 8.150 nan 0.000 0.479 83 G N -1.091 107.716 108.800 0.011 0.000 2.137 83 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.237 83 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.237 83 G C 0.590 175.496 174.900 0.010 0.000 1.002 83 G CA 0.573 45.718 45.100 0.074 0.000 0.702 83 G HN 0.582 nan 8.290 nan 0.000 0.515 84 Q N -1.220 118.525 119.800 -0.093 0.000 2.389 84 Q HA 0.112 4.452 4.340 -0.000 0.000 0.204 84 Q C 1.089 176.841 176.000 -0.414 0.000 0.944 84 Q CA 1.064 56.690 55.803 -0.295 0.000 0.908 84 Q CB 0.218 28.673 28.738 -0.471 0.000 1.002 84 Q HN 0.844 nan 8.270 nan 0.000 0.493 85 H N -0.464 118.694 119.070 0.146 0.000 2.549 85 H HA 0.111 4.667 4.556 -0.000 0.000 0.253 85 H C 0.129 175.622 175.328 0.275 0.000 1.170 85 H CA -0.436 55.716 56.048 0.173 0.000 0.943 85 H CB 0.651 30.519 29.762 0.178 0.000 1.849 85 H HN 0.107 nan 8.280 nan 0.000 0.603 86 D N 1.098 121.684 120.400 0.309 0.000 2.133 86 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 86 D C 1.793 178.282 176.300 0.315 0.000 0.997 86 D CA 1.580 55.772 54.000 0.321 0.000 0.840 86 D CB -0.099 40.817 40.800 0.194 0.000 0.947 86 D HN 0.666 nan 8.370 nan 0.000 0.452 87 D N 0.549 121.082 120.400 0.222 0.000 2.378 87 D HA -0.131 4.509 4.640 -0.000 0.000 0.227 87 D C 0.811 177.242 176.300 0.220 0.000 1.012 87 D CA 0.450 54.568 54.000 0.195 0.000 0.905 87 D CB -0.044 40.844 40.800 0.147 0.000 0.895 87 D HN 0.157 nan 8.370 nan 0.000 0.532 88 E N -0.106 120.175 120.200 0.134 0.000 2.489 88 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 88 E C -0.343 175.994 176.600 -0.439 0.000 1.057 88 E CA -0.017 56.344 56.400 -0.064 0.000 0.866 88 E CB -0.046 29.460 29.700 -0.323 0.000 0.916 88 E HN 0.389 nan 8.360 nan 0.000 0.500 89 F N 1.651 121.679 119.950 0.130 0.000 2.451 89 F HA 0.267 4.794 4.527 -0.000 0.000 0.367 89 F C -1.526 174.226 175.800 -0.080 0.000 1.100 89 F CA -1.815 56.182 58.000 -0.005 0.000 1.171 89 F CB 1.613 40.628 39.000 0.025 0.000 1.405 89 F HN -0.149 nan 8.300 nan 0.000 0.482 90 P HA 0.103 nan 4.420 nan 0.000 0.261 90 P C 0.078 177.289 177.300 -0.148 0.000 1.268 90 P CA 0.396 63.399 63.100 -0.162 0.000 0.833 90 P CB 0.726 32.214 31.700 -0.352 0.000 1.231 91 L N 0.674 121.810 121.223 -0.144 0.000 2.456 91 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 91 L C 1.053 177.860 176.870 -0.105 0.000 1.189 91 L CA -0.668 54.096 54.840 -0.126 0.000 0.846 91 L CB 0.289 42.264 42.059 -0.140 0.000 1.111 91 L HN -0.025 nan 8.230 nan 0.000 0.475 92 A N 3.399 126.163 122.820 -0.093 0.000 2.351 92 A HA 0.250 4.570 4.320 -0.000 0.000 0.257 92 A C 1.205 178.609 177.584 -0.301 0.000 1.087 92 A CA -0.505 51.461 52.037 -0.119 0.000 0.798 92 A CB 0.422 19.448 19.000 0.042 0.000 1.033 92 A HN 0.707 nan 8.150 nan 0.000 0.488 93 I N -0.630 119.592 120.570 -0.579 0.000 2.286 93 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 93 I C 0.700 176.309 176.117 -0.847 0.000 1.115 93 I CA 0.928 61.715 61.300 -0.854 0.000 1.392 93 I CB -0.869 36.278 38.000 -1.422 0.000 1.065 93 I HN 0.764 nan 8.210 nan 0.000 0.418 94 W N 3.927 125.163 121.300 -0.107 0.000 1.564 94 W HA 0.239 4.899 4.660 -0.000 0.000 0.480 94 W C 1.107 177.562 176.519 -0.107 0.000 0.699 94 W CA -0.662 56.639 57.345 -0.072 0.000 1.985 94 W CB -0.804 28.652 29.460 -0.006 0.000 1.738 94 W HN 0.262 nan 8.180 nan 0.000 0.218 95 Q N -0.806 118.832 119.800 -0.271 0.000 3.321 95 Q HA 0.489 4.829 4.340 -0.000 0.000 0.257 95 Q C 0.029 175.649 176.000 -0.634 0.000 1.041 95 Q CA -1.086 54.224 55.803 -0.822 0.000 0.789 95 Q CB 0.381 28.646 28.738 -0.787 0.000 2.366 95 Q HN -0.086 nan 8.270 nan 0.000 0.416 96 T N -0.851 113.272 114.554 -0.718 0.000 2.916 96 T HA 0.174 4.524 4.350 -0.000 0.000 0.303 96 T C 1.244 175.744 174.700 -0.333 0.000 1.025 96 T CA 0.476 62.349 62.100 -0.379 0.000 1.142 96 T CB 0.345 69.031 68.868 -0.303 0.000 0.947 96 T HN 0.651 nan 8.240 nan 0.000 0.544 97 G N 2.447 111.098 108.800 -0.248 0.000 2.501 97 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 97 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 97 G C 1.596 176.371 174.900 -0.210 0.000 1.114 97 G CA 0.963 45.921 45.100 -0.236 0.000 0.757 97 G HN 0.873 nan 8.290 nan 0.000 0.559 98 S N -1.044 114.516 115.700 -0.234 0.000 2.528 98 S HA 0.367 4.837 4.470 -0.000 0.000 0.219 98 S C 1.805 176.099 174.600 -0.511 0.000 0.985 98 S CA 0.903 58.972 58.200 -0.219 0.000 0.914 98 S CB 0.111 63.233 63.200 -0.131 0.000 0.776 98 S HN 1.467 nan 8.310 nan 0.000 0.526 99 G N 0.888 109.240 108.800 -0.746 0.000 2.137 99 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.237 99 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.237 99 G C 0.635 175.125 174.900 -0.683 0.000 1.002 99 G CA 0.525 44.857 45.100 -1.279 0.000 0.702 99 G HN 0.459 nan 8.290 nan 0.000 0.515 100 T N 0.057 114.375 114.554 -0.393 0.000 2.720 100 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 100 T C 2.321 176.916 174.700 -0.175 0.000 1.037 100 T CA 2.117 64.092 62.100 -0.209 0.000 1.144 100 T CB -0.134 68.646 68.868 -0.147 0.000 0.864 100 T HN 0.445 nan 8.240 nan 0.000 0.444 101 Q N 0.980 120.641 119.800 -0.232 0.000 2.045 101 Q HA -0.059 4.281 4.340 -0.000 0.000 0.206 101 Q C 2.714 178.639 176.000 -0.125 0.000 0.991 101 Q CA 1.762 57.457 55.803 -0.180 0.000 0.851 101 Q CB -0.661 27.914 28.738 -0.272 0.000 0.911 101 Q HN 0.382 nan 8.270 nan 0.000 0.418 102 S N 0.454 116.058 115.700 -0.159 0.000 2.419 102 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 102 S C 1.622 176.254 174.600 0.055 0.000 1.016 102 S CA 1.171 59.353 58.200 -0.029 0.000 0.974 102 S CB -0.376 62.825 63.200 0.000 0.000 0.786 102 S HN 0.415 nan 8.310 nan 0.000 0.492 103 N N 1.291 120.002 118.700 0.019 0.000 2.142 103 N HA -0.012 4.728 4.740 -0.000 0.000 0.186 103 N C 1.652 177.198 175.510 0.060 0.000 1.023 103 N CA 1.217 54.307 53.050 0.068 0.000 0.852 103 N CB -0.216 38.298 38.487 0.046 0.000 0.998 103 N HN 0.139 nan 8.380 nan 0.000 0.424 104 M N 0.542 120.157 119.600 0.026 0.000 2.229 104 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 104 M C 1.758 178.095 176.300 0.060 0.000 1.063 104 M CA 0.871 56.192 55.300 0.035 0.000 1.114 104 M CB -1.545 31.063 32.600 0.013 0.000 1.387 104 M HN 0.302 nan 8.290 nan 0.000 0.420 105 N N 0.744 119.483 118.700 0.066 0.000 2.069 105 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 105 N C 1.573 177.199 175.510 0.194 0.000 1.031 105 N CA 1.515 54.623 53.050 0.097 0.000 0.852 105 N CB -0.193 38.368 38.487 0.124 0.000 1.018 105 N HN 0.170 nan 8.380 nan 0.000 0.423 106 M N 0.803 120.568 119.600 0.275 0.000 2.175 106 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 106 M C 1.335 177.736 176.300 0.169 0.000 1.063 106 M CA 1.263 56.755 55.300 0.321 0.000 1.119 106 M CB -0.574 32.161 32.600 0.225 0.000 1.377 106 M HN 0.086 nan 8.290 nan 0.000 0.415 107 N N 0.398 119.166 118.700 0.114 0.000 2.120 107 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 107 N C 1.635 177.182 175.510 0.061 0.000 1.024 107 N CA 1.709 54.806 53.050 0.077 0.000 0.852 107 N CB -0.341 38.185 38.487 0.064 0.000 1.003 107 N HN 0.568 nan 8.380 nan 0.000 0.424 108 E N 0.184 120.423 120.200 0.065 0.000 2.047 108 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 108 E C 1.998 178.611 176.600 0.021 0.000 0.987 108 E CA 0.706 57.137 56.400 0.051 0.000 0.799 108 E CB 0.048 29.798 29.700 0.083 0.000 0.752 108 E HN 0.039 nan 8.360 nan 0.000 0.449 109 V N 1.217 121.140 119.914 0.014 0.000 2.295 109 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 109 V C 2.225 178.275 176.094 -0.073 0.000 1.049 109 V CA 1.278 63.536 62.300 -0.070 0.000 1.024 109 V CB -0.305 31.418 31.823 -0.166 0.000 0.648 109 V HN 0.198 nan 8.190 nan 0.000 0.447 110 L N 0.182 121.404 121.223 -0.001 0.000 2.093 110 L HA -0.043 4.296 4.340 -0.000 0.000 0.208 110 L C 2.528 179.387 176.870 -0.018 0.000 1.085 110 L CA 2.165 57.004 54.840 -0.001 0.000 0.755 110 L CB -1.195 40.890 42.059 0.045 0.000 0.904 110 L HN 0.285 nan 8.230 nan 0.000 0.435 111 A N -0.759 122.053 122.820 -0.013 0.000 1.873 111 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 111 A C 2.168 179.716 177.584 -0.060 0.000 1.186 111 A CA 1.660 53.678 52.037 -0.030 0.000 0.616 111 A CB -0.573 18.415 19.000 -0.020 0.000 0.823 111 A HN 0.453 nan 8.150 nan 0.000 0.442 112 N N -0.404 118.258 118.700 -0.063 0.000 2.084 112 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 112 N C 1.903 177.365 175.510 -0.080 0.000 1.030 112 N CA 1.671 54.674 53.050 -0.078 0.000 0.849 112 N CB -0.404 38.034 38.487 -0.083 0.000 1.012 112 N HN 0.466 nan 8.380 nan 0.000 0.423 113 R N 1.199 121.644 120.500 -0.092 0.000 2.075 113 R HA 0.101 4.441 4.340 -0.000 0.000 0.232 113 R C 1.882 178.155 176.300 -0.045 0.000 1.126 113 R CA 1.544 57.595 56.100 -0.082 0.000 0.963 113 R CB -0.871 29.344 30.300 -0.142 0.000 0.858 113 R HN 0.173 nan 8.270 nan 0.000 0.435 114 A N -0.656 122.139 122.820 -0.041 0.000 2.019 114 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 114 A C 2.264 179.828 177.584 -0.034 0.000 1.164 114 A CA 1.846 53.868 52.037 -0.026 0.000 0.644 114 A CB -0.865 18.123 19.000 -0.020 0.000 0.805 114 A HN 0.466 nan 8.150 nan 0.000 0.449 115 S N -0.550 115.118 115.700 -0.053 0.000 2.345 115 S HA -0.168 4.302 4.470 -0.000 0.000 0.220 115 S C 1.911 176.486 174.600 -0.042 0.000 1.031 115 S CA 1.488 59.651 58.200 -0.060 0.000 0.996 115 S CB -0.354 62.795 63.200 -0.086 0.000 0.882 115 S HN 0.669 nan 8.310 nan 0.000 0.445 116 E N 0.376 120.553 120.200 -0.039 0.000 2.097 116 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 116 E C 1.959 178.550 176.600 -0.015 0.000 1.000 116 E CA 1.179 57.563 56.400 -0.027 0.000 0.804 116 E CB -0.268 29.418 29.700 -0.023 0.000 0.740 116 E HN 0.308 nan 8.360 nan 0.000 0.454 117 L N 0.374 121.591 121.223 -0.010 0.000 2.261 117 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 117 L C 1.744 178.611 176.870 -0.005 0.000 1.114 117 L CA 1.397 56.236 54.840 -0.002 0.000 0.777 117 L CB -0.204 41.857 42.059 0.004 0.000 0.910 117 L HN 0.153 nan 8.230 nan 0.000 0.440 118 L N -1.248 119.968 121.223 -0.011 0.000 2.791 118 L HA 0.273 4.613 4.340 -0.000 0.000 0.239 118 L C 1.319 178.182 176.870 -0.011 0.000 1.203 118 L CA 0.400 55.234 54.840 -0.010 0.000 1.002 118 L CB -0.581 41.470 42.059 -0.013 0.000 1.295 118 L HN 0.432 nan 8.230 nan 0.000 0.504 119 G N -0.065 108.728 108.800 -0.011 0.000 2.162 119 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 119 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 119 G C 0.555 175.445 174.900 -0.016 0.000 0.976 119 G CA 0.100 45.194 45.100 -0.011 0.000 0.655 119 G HN 0.542 nan 8.290 nan 0.000 0.533 120 G N -1.666 107.120 108.800 -0.023 0.000 2.531 120 G HA2 0.721 4.681 3.960 -0.000 0.000 0.281 120 G HA3 0.721 4.681 3.960 -0.000 0.000 0.281 120 G C -0.125 174.755 174.900 -0.033 0.000 1.382 120 G CA 0.159 45.242 45.100 -0.030 0.000 1.045 120 G HN 1.208 nan 8.290 nan 0.000 0.533 121 V N -0.741 119.149 119.914 -0.041 0.000 3.019 121 V HA 0.714 4.834 4.120 -0.000 0.000 0.317 121 V C 0.019 176.079 176.094 -0.056 0.000 1.094 121 V CA -1.145 61.129 62.300 -0.043 0.000 1.000 121 V CB 1.927 33.727 31.823 -0.037 0.000 1.060 121 V HN 0.988 nan 8.190 nan 0.000 0.443 122 R N 3.343 123.807 120.500 -0.060 0.000 2.410 122 R HA 0.799 5.139 4.340 -0.000 0.000 0.288 122 R C 0.258 176.517 176.300 -0.068 0.000 1.051 122 R CA 0.515 56.572 56.100 -0.072 0.000 1.021 122 R CB 0.941 31.190 30.300 -0.085 0.000 1.032 122 R HN 1.661 nan 8.270 nan 0.000 0.481 123 G N 2.451 111.211 108.800 -0.066 0.000 2.396 123 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 123 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 123 G C 0.565 175.443 174.900 -0.038 0.000 1.248 123 G CA -0.200 44.870 45.100 -0.050 0.000 1.033 123 G HN 0.620 nan 8.290 nan 0.000 0.502 124 M N -0.413 119.176 119.600 -0.019 0.000 2.255 124 M HA 0.010 4.490 4.480 -0.000 0.000 0.259 124 M C 1.134 177.435 176.300 0.001 0.000 1.071 124 M CA 2.321 57.621 55.300 0.000 0.000 1.074 124 M CB -1.255 31.349 32.600 0.006 0.000 1.384 124 M HN 0.430 nan 8.290 nan 0.000 0.415 125 E N 2.021 122.211 120.200 -0.017 0.000 2.423 125 E HA 0.152 4.502 4.350 -0.000 0.000 0.198 125 E C 0.072 176.644 176.600 -0.048 0.000 1.038 125 E CA -0.111 56.279 56.400 -0.016 0.000 1.011 125 E CB -0.084 29.608 29.700 -0.013 0.000 1.118 125 E HN 0.651 nan 8.360 nan 0.000 0.451 126 R N 0.212 120.657 120.500 -0.092 0.000 2.594 126 R HA 0.224 4.564 4.340 -0.000 0.000 0.272 126 R C 0.673 176.823 176.300 -0.250 0.000 1.074 126 R CA -0.154 55.851 56.100 -0.158 0.000 1.105 126 R CB 1.020 31.212 30.300 -0.180 0.000 1.008 126 R HN -0.197 nan 8.270 nan 0.000 0.472 127 K N 1.018 121.303 120.400 -0.192 0.000 2.137 127 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 127 K C 0.250 176.704 176.600 -0.244 0.000 1.052 127 K CA 0.662 56.857 56.287 -0.154 0.000 0.961 127 K CB 0.291 32.752 32.500 -0.065 0.000 0.741 127 K HN 0.326 nan 8.250 nan 0.000 0.452 128 V N 3.094 122.857 119.914 -0.252 0.000 2.439 128 V HA 0.109 4.229 4.120 -0.000 0.000 0.282 128 V C -0.229 175.676 176.094 -0.314 0.000 1.039 128 V CA -0.740 61.452 62.300 -0.181 0.000 0.913 128 V CB 1.088 32.868 31.823 -0.072 0.000 0.983 128 V HN 0.237 nan 8.190 nan 0.000 0.460 129 H N 6.796 125.868 119.070 0.004 0.000 2.467 129 H HA 0.254 4.810 4.556 -0.000 0.000 0.326 129 H C -1.632 173.702 175.328 0.010 0.000 1.094 129 H CA -1.856 54.196 56.048 0.006 0.000 1.253 129 H CB 2.144 31.908 29.762 0.005 0.000 1.439 129 H HN 0.405 nan 8.280 nan 0.000 0.479 130 P HA -0.200 nan 4.420 nan 0.000 0.214 130 P C 0.594 177.937 177.300 0.071 0.000 1.163 130 P CA 1.457 64.599 63.100 0.070 0.000 0.889 130 P CB 0.605 32.341 31.700 0.060 0.000 0.790 131 N N -0.408 118.337 118.700 0.074 0.000 2.132 131 N HA -0.096 4.644 4.740 -0.000 0.000 0.187 131 N C 1.556 177.091 175.510 0.041 0.000 1.038 131 N CA 1.302 54.381 53.050 0.048 0.000 0.846 131 N CB -0.703 37.804 38.487 0.034 0.000 1.012 131 N HN 0.046 nan 8.380 nan 0.000 0.429 132 D N 0.305 120.734 120.400 0.048 0.000 2.178 132 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 132 D C 0.808 177.134 176.300 0.043 0.000 0.980 132 D CA 1.111 55.126 54.000 0.024 0.000 0.842 132 D CB -0.078 40.706 40.800 -0.026 0.000 0.948 132 D HN 0.339 nan 8.370 nan 0.000 0.472 133 D N -0.609 119.838 120.400 0.080 0.000 2.943 133 D HA 0.024 4.664 4.640 -0.000 0.000 0.282 133 D C 2.328 178.659 176.300 0.051 0.000 1.148 133 D CA 0.209 54.250 54.000 0.067 0.000 1.006 133 D CB 0.028 40.880 40.800 0.087 0.000 1.168 133 D HN -0.014 nan 8.370 nan 0.000 0.450 134 V N 1.488 121.434 119.914 0.053 0.000 2.427 134 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 134 V C 1.590 177.713 176.094 0.048 0.000 1.051 134 V CA 1.401 63.730 62.300 0.048 0.000 1.048 134 V CB -0.562 31.289 31.823 0.048 0.000 0.666 134 V HN 0.077 nan 8.190 nan 0.000 0.456 135 N N 0.118 118.843 118.700 0.042 0.000 2.276 135 N HA 0.053 4.793 4.740 -0.000 0.000 0.212 135 N C 0.507 176.026 175.510 0.014 0.000 1.127 135 N CA -0.062 53.008 53.050 0.033 0.000 0.834 135 N CB -0.110 38.395 38.487 0.029 0.000 1.014 135 N HN 0.455 nan 8.380 nan 0.000 0.491 136 K N 0.138 120.546 120.400 0.014 0.000 2.451 136 K HA 0.031 4.351 4.320 -0.000 0.000 0.280 136 K C 0.078 176.638 176.600 -0.068 0.000 1.020 136 K CA 0.434 56.711 56.287 -0.018 0.000 1.008 136 K CB 0.232 32.730 32.500 -0.002 0.000 0.917 136 K HN 0.139 nan 8.250 nan 0.000 0.478 137 S N 1.118 116.727 115.700 -0.152 0.000 3.382 137 S HA -0.193 4.277 4.470 -0.000 0.000 0.293 137 S C -0.618 173.800 174.600 -0.303 0.000 1.262 137 S CA 1.282 59.269 58.200 -0.355 0.000 0.969 137 S CB -1.270 61.494 63.200 -0.727 0.000 1.136 137 S HN 0.832 nan 8.310 nan 0.000 0.635 138 Q N -0.290 119.446 119.800 -0.106 0.000 2.633 138 Q HA 0.827 5.167 4.340 -0.000 0.000 0.292 138 Q C -0.422 175.567 176.000 -0.018 0.000 1.089 138 Q CA -0.589 55.200 55.803 -0.023 0.000 0.811 138 Q CB 2.169 30.930 28.738 0.038 0.000 1.472 138 Q HN 0.225 nan 8.270 nan 0.000 0.464 139 S N -1.322 114.381 115.700 0.004 0.000 2.550 139 S HA 0.284 4.754 4.470 -0.000 0.000 0.270 139 S C -0.153 174.457 174.600 0.017 0.000 1.145 139 S CA -0.513 57.688 58.200 0.003 0.000 0.852 139 S CB 1.673 64.871 63.200 -0.004 0.000 1.119 139 S HN 0.537 nan 8.310 nan 0.000 0.465 140 S N 2.686 118.393 115.700 0.011 0.000 2.400 140 S HA -0.111 4.359 4.470 -0.000 0.000 0.232 140 S C 1.635 176.254 174.600 0.032 0.000 1.025 140 S CA 1.515 59.725 58.200 0.016 0.000 0.993 140 S CB -0.557 62.628 63.200 -0.024 0.000 0.808 140 S HN 0.754 nan 8.310 nan 0.000 0.478 141 N N 2.201 120.911 118.700 0.017 0.000 2.104 141 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 141 N C 1.298 176.823 175.510 0.025 0.000 1.024 141 N CA 1.623 54.686 53.050 0.022 0.000 0.853 141 N CB -0.398 38.097 38.487 0.014 0.000 1.008 141 N HN 0.653 nan 8.380 nan 0.000 0.424 142 D N -0.561 119.848 120.400 0.015 0.000 2.389 142 D HA 0.050 4.689 4.640 -0.000 0.000 0.206 142 D C 1.620 177.919 176.300 -0.001 0.000 1.055 142 D CA 0.071 54.069 54.000 -0.004 0.000 0.856 142 D CB -0.326 40.468 40.800 -0.009 0.000 0.957 142 D HN 0.015 nan 8.370 nan 0.000 0.509 143 V N 0.228 120.162 119.914 0.032 0.000 2.346 143 V HA -0.093 4.027 4.120 -0.000 0.000 0.244 143 V C 2.176 178.288 176.094 0.030 0.000 1.037 143 V CA 1.024 63.342 62.300 0.029 0.000 1.029 143 V CB -0.722 31.134 31.823 0.056 0.000 0.663 143 V HN 0.034 nan 8.190 nan 0.000 0.454 144 F N 1.530 121.438 119.950 -0.071 0.000 2.102 144 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 144 F C -0.150 175.587 175.800 -0.106 0.000 1.105 144 F CA 1.771 59.722 58.000 -0.081 0.000 1.239 144 F CB -1.443 37.512 39.000 -0.075 0.000 0.991 144 F HN 0.242 nan 8.300 nan 0.000 0.474 145 P HA -0.118 nan 4.420 nan 0.000 0.217 145 P C 1.673 178.762 177.300 -0.351 0.000 1.150 145 P CA 2.186 65.153 63.100 -0.221 0.000 0.832 145 P CB -0.176 31.421 31.700 -0.172 0.000 0.787 146 T N -0.632 113.770 114.554 -0.254 0.000 2.746 146 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 146 T C 1.887 176.439 174.700 -0.247 0.000 1.039 146 T CA 1.632 63.588 62.100 -0.241 0.000 1.142 146 T CB -0.923 67.840 68.868 -0.176 0.000 0.866 146 T HN 0.031 nan 8.240 nan 0.000 0.444 147 A N 1.259 123.915 122.820 -0.272 0.000 1.933 147 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 147 A C 2.319 179.724 177.584 -0.298 0.000 1.175 147 A CA 1.542 53.405 52.037 -0.291 0.000 0.628 147 A CB -0.690 18.101 19.000 -0.349 0.000 0.814 147 A HN 0.465 nan 8.150 nan 0.000 0.444 148 M N -1.617 117.755 119.600 -0.379 0.000 2.086 148 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 148 M C 2.181 178.458 176.300 -0.038 0.000 1.067 148 M CA 1.630 56.772 55.300 -0.263 0.000 1.116 148 M CB -0.500 31.936 32.600 -0.273 0.000 1.348 148 M HN 0.475 nan 8.290 nan 0.000 0.407 149 H N -0.524 118.437 119.070 -0.181 0.000 2.389 149 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 149 H C 2.205 177.574 175.328 0.067 0.000 1.081 149 H CA 1.279 57.282 56.048 -0.074 0.000 1.345 149 H CB -0.646 29.103 29.762 -0.023 0.000 1.393 149 H HN 0.125 nan 8.280 nan 0.000 0.520 150 V N 0.704 120.663 119.914 0.074 0.000 2.261 150 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 150 V C 2.643 178.829 176.094 0.153 0.000 1.047 150 V CA 1.755 64.090 62.300 0.058 0.000 1.015 150 V CB -1.106 30.567 31.823 -0.251 0.000 0.642 150 V HN 0.531 nan 8.190 nan 0.000 0.446 151 A N -0.080 122.761 122.820 0.035 0.000 1.877 151 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 151 A C 2.422 180.058 177.584 0.086 0.000 1.186 151 A CA 2.286 54.345 52.037 0.038 0.000 0.620 151 A CB -0.863 18.122 19.000 -0.026 0.000 0.822 151 A HN 0.578 nan 8.150 nan 0.000 0.443 152 A N -0.629 122.230 122.820 0.066 0.000 1.858 152 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 152 A C 2.154 179.814 177.584 0.126 0.000 1.190 152 A CA 1.777 53.875 52.037 0.101 0.000 0.617 152 A CB -0.711 18.148 19.000 -0.235 0.000 0.827 152 A HN 0.650 nan 8.150 nan 0.000 0.443 153 L N -0.133 121.140 121.223 0.084 0.000 2.046 153 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 153 L C 2.308 179.204 176.870 0.045 0.000 1.077 153 L CA 1.607 56.467 54.840 0.034 0.000 0.747 153 L CB -0.465 41.566 42.059 -0.047 0.000 0.896 153 L HN 0.417 nan 8.230 nan 0.000 0.432 154 L N -1.009 120.281 121.223 0.112 0.000 2.093 154 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 154 L C 2.617 179.527 176.870 0.067 0.000 1.085 154 L CA 1.056 55.951 54.840 0.091 0.000 0.755 154 L CB -0.944 41.194 42.059 0.132 0.000 0.904 154 L HN 0.355 nan 8.230 nan 0.000 0.435 155 A N 0.195 123.064 122.820 0.083 0.000 1.930 155 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 155 A C 2.251 179.866 177.584 0.051 0.000 1.175 155 A CA 1.205 53.283 52.037 0.068 0.000 0.627 155 A CB -0.529 18.526 19.000 0.093 0.000 0.815 155 A HN 0.330 nan 8.150 nan 0.000 0.443 156 L N -1.282 119.983 121.223 0.070 0.000 2.027 156 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 156 L C 2.897 179.773 176.870 0.009 0.000 1.074 156 L CA 1.450 56.315 54.840 0.042 0.000 0.745 156 L CB -0.434 41.667 42.059 0.070 0.000 0.898 156 L HN 0.317 nan 8.230 nan 0.000 0.433 157 R N 0.033 120.534 120.500 0.002 0.000 2.062 157 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 157 R C 2.321 178.616 176.300 -0.007 0.000 1.128 157 R CA 1.240 57.330 56.100 -0.016 0.000 0.960 157 R CB -0.084 30.194 30.300 -0.037 0.000 0.855 157 R HN 0.289 nan 8.270 nan 0.000 0.432 158 K N -0.218 120.186 120.400 0.006 0.000 2.137 158 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 158 K C 1.977 178.582 176.600 0.008 0.000 1.052 158 K CA 1.101 57.394 56.287 0.010 0.000 0.961 158 K CB 0.212 32.726 32.500 0.023 0.000 0.741 158 K HN 0.091 nan 8.250 nan 0.000 0.452 159 Q N 0.102 119.907 119.800 0.008 0.000 2.389 159 Q HA 0.096 4.436 4.340 -0.000 0.000 0.198 159 Q C 1.918 177.914 176.000 -0.006 0.000 0.967 159 Q CA 0.107 55.911 55.803 0.003 0.000 0.863 159 Q CB -0.112 28.628 28.738 0.003 0.000 0.987 159 Q HN 0.032 nan 8.270 nan 0.000 0.557 160 L N 1.123 122.339 121.223 -0.012 0.000 1.970 160 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 160 L C 2.047 178.905 176.870 -0.021 0.000 1.071 160 L CA 1.944 56.770 54.840 -0.024 0.000 0.751 160 L CB -0.784 41.253 42.059 -0.038 0.000 0.889 160 L HN 0.367 nan 8.230 nan 0.000 0.432 161 I N 0.303 120.861 120.570 -0.019 0.000 2.163 161 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 161 I C -0.277 175.829 176.117 -0.018 0.000 1.085 161 I CA 1.397 62.684 61.300 -0.022 0.000 1.347 161 I CB -1.662 36.322 38.000 -0.028 0.000 1.044 161 I HN 0.268 nan 8.210 nan 0.000 0.408 162 P HA -0.153 nan 4.420 nan 0.000 0.216 162 P C 1.554 178.850 177.300 -0.007 0.000 1.153 162 P CA 1.169 64.263 63.100 -0.011 0.000 0.848 162 P CB -0.038 31.658 31.700 -0.008 0.000 0.787 163 Q N -0.893 118.905 119.800 -0.004 0.000 2.124 163 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 163 Q C 2.112 178.117 176.000 0.008 0.000 0.977 163 Q CA 1.059 56.863 55.803 0.003 0.000 0.850 163 Q CB -1.290 27.450 28.738 0.003 0.000 0.901 163 Q HN 0.234 nan 8.270 nan 0.000 0.429 164 L N 1.240 122.463 121.223 0.000 0.000 2.017 164 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 164 L C 2.027 178.902 176.870 0.009 0.000 1.073 164 L CA 1.900 56.742 54.840 0.004 0.000 0.745 164 L CB -0.455 41.598 42.059 -0.009 0.000 0.894 164 L HN -0.044 nan 8.230 nan 0.000 0.432 165 K N -1.096 119.303 120.400 -0.002 0.000 2.026 165 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 165 K C 1.954 178.557 176.600 0.004 0.000 1.048 165 K CA 2.008 58.292 56.287 -0.004 0.000 0.929 165 K CB -0.587 31.905 32.500 -0.014 0.000 0.713 165 K HN 0.365 nan 8.250 nan 0.000 0.439 166 T N 1.398 115.954 114.554 0.004 0.000 2.684 166 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 166 T C 1.609 176.321 174.700 0.019 0.000 1.036 166 T CA 1.429 63.532 62.100 0.005 0.000 1.148 166 T CB -0.294 68.573 68.868 -0.000 0.000 0.863 166 T HN 0.091 nan 8.240 nan 0.000 0.436 167 L N 1.083 122.330 121.223 0.039 0.000 2.083 167 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 167 L C 2.435 179.355 176.870 0.083 0.000 1.083 167 L CA 1.858 56.744 54.840 0.076 0.000 0.752 167 L CB -1.241 40.888 42.059 0.118 0.000 0.899 167 L HN 0.196 nan 8.230 nan 0.000 0.433 168 T N -0.842 113.750 114.554 0.064 0.000 2.746 168 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 168 T C 1.790 176.516 174.700 0.043 0.000 1.039 168 T CA 1.381 63.519 62.100 0.064 0.000 1.142 168 T CB -0.254 68.637 68.868 0.039 0.000 0.866 168 T HN 0.393 nan 8.240 nan 0.000 0.444 169 Q N 0.716 120.529 119.800 0.021 0.000 2.096 169 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 169 Q C 2.338 178.338 176.000 -0.000 0.000 0.982 169 Q CA 1.697 57.502 55.803 0.002 0.000 0.850 169 Q CB -0.598 28.136 28.738 -0.007 0.000 0.901 169 Q HN 0.496 nan 8.270 nan 0.000 0.422 170 T N 1.712 116.272 114.554 0.009 0.000 2.674 170 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 170 T C 2.023 176.731 174.700 0.014 0.000 1.039 170 T CA 1.178 63.278 62.100 0.000 0.000 1.150 170 T CB -0.290 68.579 68.868 0.001 0.000 0.864 170 T HN 0.241 nan 8.240 nan 0.000 0.427 171 L N 1.302 122.568 121.223 0.072 0.000 2.131 171 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 171 L C 2.645 179.542 176.870 0.046 0.000 1.092 171 L CA 1.118 56.031 54.840 0.123 0.000 0.759 171 L CB -0.646 41.560 42.059 0.245 0.000 0.903 171 L HN 0.419 nan 8.230 nan 0.000 0.435 172 N N 0.102 118.815 118.700 0.021 0.000 2.120 172 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 172 N C 1.668 177.141 175.510 -0.061 0.000 1.024 172 N CA 1.174 54.215 53.050 -0.015 0.000 0.852 172 N CB 0.156 38.636 38.487 -0.010 0.000 1.003 172 N HN 0.437 nan 8.380 nan 0.000 0.424 173 E N 0.435 120.592 120.200 -0.072 0.000 2.072 173 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 173 E C 1.948 178.419 176.600 -0.215 0.000 0.985 173 E CA 0.779 57.109 56.400 -0.117 0.000 0.801 173 E CB 0.133 29.773 29.700 -0.100 0.000 0.750 173 E HN 0.221 nan 8.360 nan 0.000 0.452 174 K N 0.635 120.898 120.400 -0.229 0.000 2.057 174 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 174 K C 2.340 178.659 176.600 -0.469 0.000 1.049 174 K CA 0.836 56.857 56.287 -0.444 0.000 0.931 174 K CB -0.643 31.756 32.500 -0.168 0.000 0.714 174 K HN -0.006 nan 8.250 nan 0.000 0.440 175 S N 1.040 116.618 115.700 -0.204 0.000 2.359 175 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 175 S C 2.132 176.648 174.600 -0.139 0.000 1.039 175 S CA 1.607 59.727 58.200 -0.133 0.000 1.042 175 S CB -0.091 63.055 63.200 -0.090 0.000 0.915 175 S HN 0.341 nan 8.310 nan 0.000 0.439 176 R N 0.483 120.893 120.500 -0.150 0.000 2.081 176 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 176 R C 2.336 178.544 176.300 -0.154 0.000 1.131 176 R CA 1.444 57.472 56.100 -0.121 0.000 0.960 176 R CB -0.721 29.516 30.300 -0.104 0.000 0.856 176 R HN 0.465 nan 8.270 nan 0.000 0.436 177 A N 0.217 122.855 122.820 -0.303 0.000 1.969 177 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 177 A C 1.135 178.611 177.584 -0.180 0.000 1.169 177 A CA 0.947 52.774 52.037 -0.350 0.000 0.635 177 A CB -0.226 18.395 19.000 -0.631 0.000 0.810 177 A HN 0.378 nan 8.150 nan 0.000 0.445 178 F N -0.756 119.177 119.950 -0.028 0.000 2.647 178 F HA 0.461 4.988 4.527 -0.000 0.000 0.300 178 F C 2.042 177.819 175.800 -0.039 0.000 1.106 178 F CA -0.824 57.156 58.000 -0.032 0.000 1.313 178 F CB -0.955 38.020 39.000 -0.041 0.000 1.007 178 F HN 0.213 nan 8.300 nan 0.000 0.536 179 A N 0.565 123.436 122.820 0.085 0.000 2.084 179 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 179 A C 2.004 179.612 177.584 0.040 0.000 1.161 179 A CA 2.199 54.258 52.037 0.037 0.000 0.653 179 A CB -0.614 18.387 19.000 0.002 0.000 0.802 179 A HN 0.487 nan 8.150 nan 0.000 0.457 180 D N -1.213 119.222 120.400 0.058 0.000 2.398 180 D HA 0.107 4.747 4.640 -0.000 0.000 0.210 180 D C 0.207 176.529 176.300 0.036 0.000 1.094 180 D CA -0.230 53.793 54.000 0.039 0.000 0.839 180 D CB -0.174 40.647 40.800 0.036 0.000 0.963 180 D HN 0.440 nan 8.370 nan 0.000 0.506 181 I N 2.267 122.865 120.570 0.047 0.000 2.294 181 I HA 0.070 4.240 4.170 -0.000 0.000 0.295 181 I C 0.039 176.156 176.117 0.000 0.000 1.098 181 I CA -0.573 60.736 61.300 0.014 0.000 1.277 181 I CB 1.460 39.451 38.000 -0.015 0.000 1.434 181 I HN -0.257 nan 8.210 nan 0.000 0.498 182 V N 7.845 127.758 119.914 -0.000 0.000 2.555 182 V HA 0.217 4.337 4.120 -0.000 0.000 0.286 182 V C 0.322 176.411 176.094 -0.007 0.000 1.044 182 V CA -0.155 62.144 62.300 -0.002 0.000 1.026 182 V CB 0.815 32.640 31.823 0.003 0.000 0.981 182 V HN 0.791 nan 8.190 nan 0.000 0.480 183 K N 3.889 124.284 120.400 -0.008 0.000 2.466 183 K HA 0.751 5.071 4.320 -0.000 0.000 0.260 183 K C -1.035 175.565 176.600 -0.000 0.000 1.011 183 K CA -1.134 55.150 56.287 -0.006 0.000 0.871 183 K CB 1.966 34.458 32.500 -0.013 0.000 1.404 183 K HN 0.333 nan 8.250 nan 0.000 0.450 184 I N 1.692 122.264 120.570 0.004 0.000 2.471 184 I HA 0.251 4.421 4.170 -0.000 0.000 0.286 184 I C 0.246 176.368 176.117 0.008 0.000 1.079 184 I CA 0.517 61.820 61.300 0.006 0.000 1.398 184 I CB 0.823 38.828 38.000 0.008 0.000 1.403 184 I HN 0.757 nan 8.210 nan 0.000 0.530 185 G N 7.082 115.887 108.800 0.007 0.000 2.507 185 G HA2 0.524 4.484 3.960 -0.000 0.000 0.271 185 G HA3 0.524 4.484 3.960 -0.000 0.000 0.271 185 G C -0.619 174.288 174.900 0.012 0.000 1.189 185 G CA -0.674 44.432 45.100 0.010 0.000 0.859 185 G HN 0.657 nan 8.290 nan 0.000 0.542 186 R N -0.267 120.241 120.500 0.014 0.000 2.538 186 R HA 0.530 4.870 4.340 -0.000 0.000 0.292 186 R C -0.929 175.378 176.300 0.012 0.000 1.008 186 R CA -0.644 55.462 56.100 0.010 0.000 0.896 186 R CB 2.295 32.592 30.300 -0.005 0.000 1.187 186 R HN 0.729 nan 8.270 nan 0.000 0.440 187 T N -1.259 113.321 114.554 0.042 0.000 2.886 187 T HA 0.301 4.651 4.350 -0.000 0.000 0.292 187 T C 0.285 175.078 174.700 0.156 0.000 1.012 187 T CA -0.773 61.363 62.100 0.059 0.000 0.982 187 T CB 1.089 70.046 68.868 0.148 0.000 1.018 187 T HN 0.865 nan 8.240 nan 0.000 0.451 188 H N 1.335 120.379 119.070 -0.042 0.000 3.047 188 H HA -0.155 4.401 4.556 -0.000 0.000 0.263 188 H C 0.398 175.684 175.328 -0.071 0.000 1.168 188 H CA 0.599 56.617 56.048 -0.050 0.000 1.152 188 H CB -1.005 28.735 29.762 -0.036 0.000 1.278 188 H HN 0.693 nan 8.280 nan 0.000 0.339 189 L N -2.202 119.017 121.223 -0.006 0.000 5.044 189 L HA -0.233 4.107 4.340 -0.000 0.000 0.412 189 L C 0.642 177.493 176.870 -0.032 0.000 0.971 189 L CA 1.426 56.225 54.840 -0.068 0.000 1.411 189 L CB -1.054 40.934 42.059 -0.118 0.000 1.884 189 L HN 0.380 nan 8.230 nan 0.000 0.631 190 Q N 0.353 120.161 119.800 0.014 0.000 2.226 190 Q HA 0.376 4.716 4.340 -0.000 0.000 0.256 190 Q C -0.125 175.875 176.000 0.001 0.000 0.962 190 Q CA -0.707 55.097 55.803 0.001 0.000 0.887 190 Q CB 1.117 29.855 28.738 -0.000 0.000 1.282 190 Q HN 0.113 nan 8.270 nan 0.000 0.449 191 D N 0.999 121.391 120.400 -0.013 0.000 2.458 191 D HA 0.296 4.936 4.640 -0.000 0.000 0.243 191 D C -0.277 176.019 176.300 -0.006 0.000 1.146 191 D CA 0.364 54.358 54.000 -0.011 0.000 0.877 191 D CB 0.739 41.526 40.800 -0.022 0.000 1.176 191 D HN 0.545 nan 8.370 nan 0.000 0.461 192 A N 1.865 124.687 122.820 0.004 0.000 2.686 192 A HA 0.733 5.053 4.320 -0.000 0.000 0.263 192 A C 0.079 177.666 177.584 0.005 0.000 1.264 192 A CA -0.621 51.421 52.037 0.009 0.000 0.799 192 A CB 0.344 19.359 19.000 0.025 0.000 1.363 192 A HN 0.481 nan 8.150 nan 0.000 0.507 193 T N 0.363 114.921 114.554 0.007 0.000 2.860 193 T HA 0.509 4.859 4.350 -0.000 0.000 0.299 193 T C -2.323 172.380 174.700 0.004 0.000 1.045 193 T CA -0.993 61.109 62.100 0.004 0.000 1.071 193 T CB 0.347 69.218 68.868 0.004 0.000 0.985 193 T HN 0.504 nan 8.240 nan 0.000 0.537 194 P HA 0.460 nan 4.420 nan 0.000 0.274 194 P C -0.613 176.687 177.300 -0.001 0.000 1.237 194 P CA -0.625 62.476 63.100 0.001 0.000 0.793 194 P CB 0.750 32.451 31.700 0.002 0.000 0.977 195 L N -1.650 119.570 121.223 -0.005 0.000 2.568 195 L HA 0.698 5.038 4.340 -0.000 0.000 0.257 195 L C -0.432 176.430 176.870 -0.013 0.000 1.024 195 L CA -0.968 53.866 54.840 -0.010 0.000 0.854 195 L CB 1.804 43.855 42.059 -0.014 0.000 1.460 195 L HN 0.379 nan 8.230 nan 0.000 0.409 196 T N -1.048 113.496 114.554 -0.016 0.000 2.913 196 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 196 T C 0.841 175.524 174.700 -0.028 0.000 1.008 196 T CA -0.542 61.550 62.100 -0.013 0.000 1.067 196 T CB 1.595 70.463 68.868 -0.001 0.000 0.996 196 T HN 0.705 nan 8.240 nan 0.000 0.513 197 L N 2.817 124.028 121.223 -0.020 0.000 2.127 197 L HA 0.159 4.499 4.340 -0.000 0.000 0.211 197 L C 2.474 179.323 176.870 -0.035 0.000 1.089 197 L CA 2.376 57.192 54.840 -0.039 0.000 0.757 197 L CB -1.312 40.719 42.059 -0.047 0.000 0.899 197 L HN 1.000 nan 8.230 nan 0.000 0.434 198 G N -1.562 107.253 108.800 0.026 0.000 2.418 198 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 198 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 198 G C 1.479 176.329 174.900 -0.082 0.000 1.158 198 G CA 0.754 45.853 45.100 -0.002 0.000 0.771 198 G HN 0.520 nan 8.290 nan 0.000 0.545 199 Q N -0.343 119.412 119.800 -0.074 0.000 2.079 199 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 199 Q C 2.426 178.337 176.000 -0.149 0.000 0.974 199 Q CA 1.283 57.035 55.803 -0.084 0.000 0.840 199 Q CB -0.140 28.567 28.738 -0.051 0.000 0.898 199 Q HN 0.664 nan 8.270 nan 0.000 0.430 200 E N 0.720 120.805 120.200 -0.192 0.000 2.058 200 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 200 E C 1.858 178.052 176.600 -0.677 0.000 0.997 200 E CA 1.014 57.231 56.400 -0.304 0.000 0.801 200 E CB -0.030 29.524 29.700 -0.244 0.000 0.746 200 E HN 0.336 nan 8.360 nan 0.000 0.450 201 I N 1.001 121.135 120.570 -0.726 0.000 2.394 201 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 201 I C 2.564 178.427 176.117 -0.423 0.000 1.136 201 I CA 1.117 61.852 61.300 -0.940 0.000 1.425 201 I CB -0.321 37.380 38.000 -0.499 0.000 1.079 201 I HN 0.188 nan 8.210 nan 0.000 0.425 202 S N 0.857 116.416 115.700 -0.236 0.000 2.442 202 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 202 S C 2.096 176.675 174.600 -0.035 0.000 1.007 202 S CA 0.970 59.116 58.200 -0.090 0.000 0.965 202 S CB -0.958 62.203 63.200 -0.064 0.000 0.773 202 S HN 0.486 nan 8.310 nan 0.000 0.504 203 G N 0.668 109.415 108.800 -0.088 0.000 2.408 203 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 203 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 203 G C 1.114 176.136 174.900 0.202 0.000 1.150 203 G CA 0.694 45.816 45.100 0.037 0.000 0.776 203 G HN 0.561 nan 8.290 nan 0.000 0.542 204 W N 0.757 122.094 121.300 0.063 0.000 2.358 204 W HA 0.017 4.676 4.660 -0.000 0.000 0.303 204 W C 2.527 179.085 176.519 0.065 0.000 1.208 204 W CA 0.308 57.693 57.345 0.067 0.000 1.274 204 W CB -1.340 28.171 29.460 0.086 0.000 1.138 204 W HN 0.053 nan 8.180 nan 0.000 0.515 205 V N 1.150 121.224 119.914 0.267 0.000 2.295 205 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 205 V C 2.573 178.745 176.094 0.130 0.000 1.049 205 V CA 2.533 64.930 62.300 0.161 0.000 1.024 205 V CB -1.656 30.220 31.823 0.088 0.000 0.648 205 V HN 0.142 nan 8.190 nan 0.000 0.447 206 A N -0.804 122.096 122.820 0.133 0.000 1.933 206 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 206 A C 2.233 179.975 177.584 0.264 0.000 1.175 206 A CA 2.226 54.359 52.037 0.160 0.000 0.628 206 A CB -0.508 18.598 19.000 0.177 0.000 0.814 206 A HN 0.515 nan 8.150 nan 0.000 0.444 207 M N -0.658 119.079 119.600 0.228 0.000 2.086 207 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 207 M C 2.066 178.471 176.300 0.174 0.000 1.067 207 M CA 1.476 56.897 55.300 0.200 0.000 1.116 207 M CB -0.444 32.252 32.600 0.159 0.000 1.348 207 M HN 0.376 nan 8.290 nan 0.000 0.407 208 L N -0.529 120.776 121.223 0.138 0.000 2.093 208 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 208 L C 2.288 179.197 176.870 0.066 0.000 1.085 208 L CA 1.267 56.161 54.840 0.091 0.000 0.755 208 L CB -0.740 41.370 42.059 0.084 0.000 0.904 208 L HN 0.365 nan 8.230 nan 0.000 0.435 209 E N -0.774 119.456 120.200 0.049 0.000 2.077 209 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 209 E C 2.160 178.721 176.600 -0.064 0.000 0.989 209 E CA 0.980 57.359 56.400 -0.035 0.000 0.800 209 E CB -0.108 29.539 29.700 -0.088 0.000 0.746 209 E HN 0.548 nan 8.360 nan 0.000 0.452 210 H N 0.607 119.686 119.070 0.015 0.000 2.353 210 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 210 H C 2.015 177.381 175.328 0.063 0.000 1.090 210 H CA 0.973 57.031 56.048 0.016 0.000 1.327 210 H CB 0.002 29.819 29.762 0.090 0.000 1.383 210 H HN 0.171 nan 8.280 nan 0.000 0.508 211 N N 0.922 119.760 118.700 0.230 0.000 2.149 211 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 211 N C 2.180 177.741 175.510 0.085 0.000 1.019 211 N CA 0.562 53.723 53.050 0.184 0.000 0.857 211 N CB -0.324 38.220 38.487 0.095 0.000 0.997 211 N HN 0.191 nan 8.380 nan 0.000 0.426 212 L N 2.428 123.657 121.223 0.009 0.000 1.989 212 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 212 L C 2.306 179.096 176.870 -0.133 0.000 1.071 212 L CA 1.952 56.760 54.840 -0.053 0.000 0.749 212 L CB -0.709 41.310 42.059 -0.066 0.000 0.890 212 L HN 0.180 nan 8.230 nan 0.000 0.431 213 K N -2.342 117.923 120.400 -0.224 0.000 2.097 213 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 213 K C 2.084 178.319 176.600 -0.609 0.000 1.049 213 K CA 1.820 57.816 56.287 -0.484 0.000 0.933 213 K CB -0.769 31.425 32.500 -0.510 0.000 0.717 213 K HN 0.407 nan 8.250 nan 0.000 0.442 214 H N 0.722 119.701 119.070 -0.152 0.000 2.353 214 H HA -0.003 4.553 4.556 -0.000 0.000 0.300 214 H C 2.180 177.527 175.328 0.030 0.000 1.090 214 H CA 1.781 57.866 56.048 0.061 0.000 1.327 214 H CB -0.135 29.690 29.762 0.104 0.000 1.383 214 H HN 0.213 nan 8.280 nan 0.000 0.508 215 I N 0.844 121.468 120.570 0.091 0.000 2.315 215 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 215 I C 2.243 178.366 176.117 0.011 0.000 1.117 215 I CA 1.135 62.463 61.300 0.047 0.000 1.404 215 I CB -0.149 37.856 38.000 0.008 0.000 1.071 215 I HN 0.242 nan 8.210 nan 0.000 0.419 216 E N -0.107 120.039 120.200 -0.090 0.000 2.150 216 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 216 E C 1.980 178.564 176.600 -0.027 0.000 0.985 216 E CA 1.082 57.416 56.400 -0.111 0.000 0.814 216 E CB -0.080 29.494 29.700 -0.210 0.000 0.752 216 E HN 0.481 nan 8.360 nan 0.000 0.466 217 Y N 0.730 121.047 120.300 0.029 0.000 2.421 217 Y HA -0.136 4.414 4.550 -0.000 0.000 0.292 217 Y C 2.649 178.580 175.900 0.052 0.000 1.136 217 Y CA 1.101 59.224 58.100 0.038 0.000 1.255 217 Y CB -0.441 38.055 38.460 0.060 0.000 0.991 217 Y HN 0.061 nan 8.280 nan 0.000 0.552 218 S N -1.105 114.719 115.700 0.207 0.000 2.501 218 S HA -0.016 4.454 4.470 -0.000 0.000 0.220 218 S C 1.846 176.503 174.600 0.095 0.000 0.997 218 S CA 0.189 58.480 58.200 0.152 0.000 0.919 218 S CB -0.712 62.571 63.200 0.138 0.000 0.778 218 S HN 0.406 nan 8.310 nan 0.000 0.523 219 L N 1.414 122.675 121.223 0.063 0.000 2.012 219 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 219 L C -0.522 176.351 176.870 0.005 0.000 1.073 219 L CA 1.439 56.284 54.840 0.007 0.000 0.748 219 L CB -2.050 39.996 42.059 -0.022 0.000 0.891 219 L HN 0.245 nan 8.230 nan 0.000 0.431 220 P HA -0.219 nan 4.420 nan 0.000 0.216 220 P C 1.473 178.836 177.300 0.105 0.000 1.154 220 P CA 1.542 64.673 63.100 0.050 0.000 0.865 220 P CB -0.067 31.667 31.700 0.058 0.000 0.789 221 H N -0.558 118.510 119.070 -0.003 0.000 2.389 221 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 221 H C 1.663 176.958 175.328 -0.055 0.000 1.081 221 H CA 1.076 57.123 56.048 -0.001 0.000 1.345 221 H CB -0.828 28.938 29.762 0.006 0.000 1.393 221 H HN -0.144 nan 8.280 nan 0.000 0.520 222 V N 0.634 120.482 119.914 -0.110 0.000 2.626 222 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 222 V C 2.638 178.638 176.094 -0.157 0.000 1.067 222 V CA 1.310 63.361 62.300 -0.414 0.000 1.081 222 V CB -1.110 30.503 31.823 -0.350 0.000 0.686 222 V HN 0.562 nan 8.190 nan 0.000 0.468 223 A N -0.551 122.267 122.820 -0.004 0.000 2.209 223 A HA -0.051 4.269 4.320 -0.000 0.000 0.212 223 A C 0.997 178.741 177.584 0.266 0.000 1.158 223 A CA 0.331 52.416 52.037 0.080 0.000 0.742 223 A CB -0.364 18.598 19.000 -0.063 0.000 0.790 223 A HN 0.629 nan 8.150 nan 0.000 0.472 224 E N 0.229 120.585 120.200 0.259 0.000 2.259 224 E HA 0.428 4.778 4.350 -0.000 0.000 0.281 224 E C -1.000 175.768 176.600 0.281 0.000 1.037 224 E CA -0.201 56.353 56.400 0.256 0.000 0.854 224 E CB 0.870 30.723 29.700 0.256 0.000 1.051 224 E HN 0.386 nan 8.360 nan 0.000 0.409 225 L N 1.890 123.204 121.223 0.153 0.000 2.322 225 L HA 0.351 4.691 4.340 -0.000 0.000 0.279 225 L C 1.053 177.903 176.870 -0.034 0.000 1.036 225 L CA -0.492 54.364 54.840 0.026 0.000 0.807 225 L CB 1.478 43.520 42.059 -0.029 0.000 1.226 225 L HN 0.653 nan 8.230 nan 0.000 0.433 226 A N 3.477 126.235 122.820 -0.104 0.000 2.016 226 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 226 A C 1.031 178.581 177.584 -0.056 0.000 1.162 226 A CA 0.105 52.088 52.037 -0.091 0.000 0.662 226 A CB -0.143 18.782 19.000 -0.124 0.000 0.812 226 A HN 0.627 nan 8.150 nan 0.000 0.450 227 L N 0.151 121.344 121.223 -0.049 0.000 2.737 227 L HA 0.083 4.423 4.340 -0.000 0.000 0.279 227 L C 1.454 178.360 176.870 0.060 0.000 1.200 227 L CA 1.251 56.096 54.840 0.008 0.000 0.952 227 L CB 0.056 42.098 42.059 -0.027 0.000 1.240 227 L HN 0.629 nan 8.230 nan 0.000 0.486 228 G N 2.406 111.287 108.800 0.134 0.000 2.316 228 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.203 228 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.203 228 G C 0.877 175.798 174.900 0.035 0.000 0.999 228 G CA 0.067 45.266 45.100 0.164 0.000 0.649 228 G HN 0.816 nan 8.290 nan 0.000 0.489 229 G N -0.491 108.293 108.800 -0.027 0.000 2.443 229 G HA2 0.301 4.261 3.960 -0.000 0.000 0.219 229 G HA3 0.301 4.261 3.960 -0.000 0.000 0.219 229 G C 1.112 175.969 174.900 -0.073 0.000 1.131 229 G CA 2.149 47.186 45.100 -0.105 0.000 0.775 229 G HN 1.590 nan 8.290 nan 0.000 0.547 230 T N -1.470 113.065 114.554 -0.032 0.000 0.606 230 T HA -0.282 4.068 4.350 -0.000 0.000 0.774 230 T C 1.918 176.607 174.700 -0.020 0.000 0.992 230 T CA 1.490 63.574 62.100 -0.026 0.000 4.076 230 T CB -1.375 67.472 68.868 -0.035 0.000 2.303 230 T HN 1.127 nan 8.240 nan 0.000 0.398 231 A N -0.069 122.745 122.820 -0.010 0.000 1.892 231 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 231 A C 2.207 179.804 177.584 0.022 0.000 1.188 231 A CA 3.963 56.003 52.037 0.005 0.000 0.631 231 A CB -0.681 18.324 19.000 0.008 0.000 0.822 231 A HN 1.734 nan 8.150 nan 0.000 0.447 232 V N -5.845 114.089 119.914 0.033 0.000 3.432 232 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 232 V C 1.174 177.306 176.094 0.063 0.000 1.464 232 V CA 0.708 63.058 62.300 0.084 0.000 1.046 232 V CB -0.392 31.509 31.823 0.129 0.000 0.887 232 V HN 1.611 nan 8.190 nan 0.000 0.441 233 G N 1.391 110.133 108.800 -0.097 0.000 2.218 233 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 233 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 233 G C 1.031 175.657 174.900 -0.458 0.000 0.994 233 G CA 0.932 45.767 45.100 -0.442 0.000 0.637 233 G HN 0.995 nan 8.290 nan 0.000 0.505 234 T N -1.167 113.351 114.554 -0.060 0.000 2.951 234 T HA 0.354 4.704 4.350 -0.000 0.000 0.268 234 T C 2.555 177.256 174.700 0.002 0.000 1.073 234 T CA 1.933 64.076 62.100 0.071 0.000 1.134 234 T CB -0.180 68.770 68.868 0.138 0.000 0.884 234 T HN 2.286 nan 8.240 nan 0.000 0.479 235 G N 0.870 109.652 108.800 -0.031 0.000 2.136 235 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 235 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 235 G C -0.117 174.774 174.900 -0.014 0.000 0.989 235 G CA -0.001 45.086 45.100 -0.022 0.000 0.682 235 G HN 0.777 nan 8.290 nan 0.000 0.522 236 L N 0.592 121.812 121.223 -0.005 0.000 2.525 236 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 236 L C 0.894 177.747 176.870 -0.028 0.000 1.218 236 L CA 1.062 55.897 54.840 -0.007 0.000 0.878 236 L CB -0.075 41.986 42.059 0.004 0.000 1.127 236 L HN 0.409 nan 8.230 nan 0.000 0.492 237 N N 1.214 119.895 118.700 -0.031 0.000 2.815 237 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 237 N C -0.528 174.931 175.510 -0.084 0.000 1.110 237 N CA 1.071 54.092 53.050 -0.048 0.000 0.699 237 N CB -1.898 36.561 38.487 -0.047 0.000 1.040 237 N HN 1.015 nan 8.380 nan 0.000 0.555 238 T N -4.398 110.113 114.554 -0.072 0.000 2.894 238 T HA 0.425 4.775 4.350 -0.000 0.000 0.309 238 T C -0.500 174.201 174.700 0.001 0.000 1.208 238 T CA -0.834 61.203 62.100 -0.105 0.000 1.016 238 T CB 2.444 71.234 68.868 -0.131 0.000 1.192 238 T HN 0.236 nan 8.240 nan 0.000 0.491 239 H N 3.489 122.534 119.070 -0.043 0.000 2.683 239 H HA 0.340 4.896 4.556 -0.000 0.000 0.339 239 H C -1.203 174.171 175.328 0.077 0.000 1.081 239 H CA -1.327 54.740 56.048 0.032 0.000 1.432 239 H CB 1.248 31.049 29.762 0.064 0.000 1.462 239 H HN 0.376 nan 8.280 nan 0.000 0.557 240 P HA -0.226 nan 4.420 nan 0.000 0.217 240 P C 0.290 177.590 177.300 -0.000 0.000 1.148 240 P CA 1.558 64.567 63.100 -0.151 0.000 0.834 240 P CB 0.355 31.917 31.700 -0.230 0.000 0.783 241 E N -2.278 117.996 120.200 0.123 0.000 2.478 241 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 241 E C 1.835 178.579 176.600 0.241 0.000 1.045 241 E CA -0.190 56.347 56.400 0.229 0.000 0.868 241 E CB -0.412 29.470 29.700 0.303 0.000 0.885 241 E HN 0.241 nan 8.360 nan 0.000 0.505 242 Y N 2.080 122.491 120.300 0.185 0.000 2.053 242 Y HA -0.357 4.193 4.550 -0.000 0.000 0.277 242 Y C 2.377 178.304 175.900 0.045 0.000 1.159 242 Y CA 2.036 60.195 58.100 0.099 0.000 1.125 242 Y CB -0.457 38.058 38.460 0.090 0.000 0.969 242 Y HN 0.038 nan 8.280 nan 0.000 0.492 243 A N 0.638 123.518 122.820 0.100 0.000 1.892 243 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 243 A C 2.450 179.994 177.584 -0.067 0.000 1.188 243 A CA 2.133 54.166 52.037 -0.006 0.000 0.631 243 A CB -0.925 18.110 19.000 0.059 0.000 0.822 243 A HN 0.552 nan 8.150 nan 0.000 0.447 244 R N -0.513 119.974 120.500 -0.020 0.000 2.066 244 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 244 R C 2.452 178.724 176.300 -0.047 0.000 1.131 244 R CA 1.531 57.622 56.100 -0.016 0.000 0.955 244 R CB -0.289 30.019 30.300 0.012 0.000 0.851 244 R HN 0.567 nan 8.270 nan 0.000 0.432 245 R N -0.178 120.283 120.500 -0.065 0.000 2.083 245 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 245 R C 2.340 178.552 176.300 -0.147 0.000 1.137 245 R CA 1.576 57.625 56.100 -0.086 0.000 0.951 245 R CB -0.673 29.581 30.300 -0.076 0.000 0.851 245 R HN 0.117 nan 8.270 nan 0.000 0.434 246 V N 0.922 120.670 119.914 -0.276 0.000 2.490 246 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 246 V C 2.139 178.128 176.094 -0.175 0.000 1.061 246 V CA 2.009 64.130 62.300 -0.299 0.000 1.064 246 V CB -0.352 31.154 31.823 -0.528 0.000 0.670 246 V HN 0.445 nan 8.190 nan 0.000 0.461 247 A N -0.472 122.273 122.820 -0.126 0.000 1.902 247 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 247 A C 1.941 179.524 177.584 -0.002 0.000 1.181 247 A CA 1.938 53.946 52.037 -0.049 0.000 0.623 247 A CB -0.693 18.304 19.000 -0.005 0.000 0.818 247 A HN 0.607 nan 8.150 nan 0.000 0.443 248 D N -0.533 119.858 120.400 -0.015 0.000 2.084 248 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 248 D C 1.916 178.217 176.300 0.001 0.000 0.990 248 D CA 1.662 55.664 54.000 0.005 0.000 0.826 248 D CB -0.414 40.382 40.800 -0.007 0.000 0.971 248 D HN 0.534 nan 8.370 nan 0.000 0.453 249 E N 0.420 120.600 120.200 -0.033 0.000 2.070 249 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 249 E C 1.928 178.516 176.600 -0.020 0.000 1.004 249 E CA 0.686 57.066 56.400 -0.034 0.000 0.805 249 E CB -0.444 29.218 29.700 -0.064 0.000 0.744 249 E HN 0.063 nan 8.360 nan 0.000 0.451 250 L N 0.202 121.400 121.223 -0.042 0.000 2.083 250 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 250 L C 2.275 179.208 176.870 0.104 0.000 1.083 250 L CA 2.012 56.823 54.840 -0.048 0.000 0.752 250 L CB -1.376 40.560 42.059 -0.206 0.000 0.899 250 L HN 0.273 nan 8.230 nan 0.000 0.433 251 A N -1.402 121.514 122.820 0.159 0.000 1.877 251 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 251 A C 2.350 180.002 177.584 0.114 0.000 1.186 251 A CA 1.847 54.010 52.037 0.211 0.000 0.620 251 A CB -0.882 18.204 19.000 0.143 0.000 0.822 251 A HN 0.226 nan 8.150 nan 0.000 0.443 252 V N 1.096 121.049 119.914 0.065 0.000 2.255 252 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 252 V C 2.492 178.609 176.094 0.039 0.000 1.051 252 V CA 2.132 64.455 62.300 0.039 0.000 1.018 252 V CB -0.897 30.937 31.823 0.020 0.000 0.641 252 V HN 0.777 nan 8.190 nan 0.000 0.445 253 I N -0.293 120.298 120.570 0.036 0.000 3.111 253 I HA -0.055 4.115 4.170 -0.000 0.000 0.272 253 I C 1.903 178.049 176.117 0.048 0.000 1.268 253 I CA 1.657 62.975 61.300 0.030 0.000 1.467 253 I CB -0.531 37.476 38.000 0.011 0.000 1.087 253 I HN 0.482 nan 8.210 nan 0.000 0.467 254 T N -4.059 110.548 114.554 0.088 0.000 2.985 254 T HA 0.175 4.525 4.350 -0.000 0.000 0.254 254 T C 0.974 175.728 174.700 0.090 0.000 1.021 254 T CA 0.493 62.663 62.100 0.116 0.000 0.957 254 T CB -0.475 68.532 68.868 0.232 0.000 1.047 254 T HN 0.419 nan 8.240 nan 0.000 0.511 255 C N 1.655 120.998 119.300 0.071 0.000 4.432 255 C HA 0.124 4.584 4.460 -0.000 0.000 0.294 255 C C 0.959 175.947 174.990 -0.003 0.000 1.398 255 C CA -0.057 58.979 59.018 0.031 0.000 1.988 255 C CB -2.765 24.985 27.740 0.018 0.000 1.251 255 C HN 1.060 nan 8.230 nan 0.000 0.791 256 A N 0.438 123.252 122.820 -0.010 0.000 2.365 256 A HA 0.819 5.139 4.320 -0.000 0.000 0.318 256 A C -1.844 175.603 177.584 -0.228 0.000 1.091 256 A CA -1.293 50.630 52.037 -0.190 0.000 0.763 256 A CB 1.183 19.959 19.000 -0.374 0.000 1.248 256 A HN 0.224 nan 8.150 nan 0.000 0.442 257 P HA 0.150 nan 4.420 nan 0.000 0.232 257 P C -0.815 176.383 177.300 -0.169 0.000 1.738 257 P CA 0.119 63.123 63.100 -0.160 0.000 0.948 257 P CB -0.735 30.894 31.700 -0.119 0.000 1.943 258 F N 1.399 121.352 119.950 0.004 0.000 2.471 258 F HA 0.178 4.705 4.527 -0.000 0.000 0.353 258 F C 1.407 177.211 175.800 0.007 0.000 1.113 258 F CA 0.060 58.064 58.000 0.008 0.000 1.262 258 F CB 0.697 39.697 39.000 0.001 0.000 1.146 258 F HN 0.033 nan 8.300 nan 0.000 0.578 259 V N -0.871 119.180 119.914 0.228 0.000 3.078 259 V HA 0.589 4.709 4.120 -0.000 0.000 0.311 259 V C -0.385 175.777 176.094 0.114 0.000 1.138 259 V CA -0.911 61.466 62.300 0.127 0.000 1.007 259 V CB 1.421 33.295 31.823 0.086 0.000 1.045 259 V HN 0.675 nan 8.190 nan 0.000 0.432 260 T N 2.355 116.949 114.554 0.066 0.000 2.851 260 T HA 0.592 4.942 4.350 -0.000 0.000 0.298 260 T C 0.473 175.206 174.700 0.054 0.000 0.977 260 T CA 0.493 62.619 62.100 0.043 0.000 1.126 260 T CB 0.423 69.301 68.868 0.017 0.000 0.916 260 T HN 1.745 nan 8.240 nan 0.000 0.529 261 A N 7.112 129.964 122.820 0.053 0.000 2.548 261 A HA 0.304 4.624 4.320 -0.000 0.000 0.247 261 A C -1.198 176.412 177.584 0.043 0.000 1.067 261 A CA -0.954 51.121 52.037 0.065 0.000 0.757 261 A CB -0.143 18.890 19.000 0.055 0.000 0.996 261 A HN 0.705 nan 8.150 nan 0.000 0.504 262 P HA -0.092 nan 4.420 nan 0.000 0.216 262 P C 0.304 177.634 177.300 0.050 0.000 1.150 262 P CA 1.162 64.289 63.100 0.045 0.000 0.837 262 P CB 0.224 31.950 31.700 0.044 0.000 0.786 263 N N -0.531 118.205 118.700 0.060 0.000 2.491 263 N HA 0.064 4.804 4.740 -0.000 0.000 0.274 263 N C 0.552 176.065 175.510 0.006 0.000 1.023 263 N CA -0.292 52.806 53.050 0.079 0.000 0.902 263 N CB 0.863 39.437 38.487 0.145 0.000 1.267 263 N HN -0.269 nan 8.380 nan 0.000 0.503 264 K N 2.599 122.899 120.400 -0.167 0.000 2.288 264 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 264 K C 1.187 177.590 176.600 -0.327 0.000 1.048 264 K CA 0.858 56.971 56.287 -0.290 0.000 0.956 264 K CB -0.094 32.155 32.500 -0.418 0.000 0.746 264 K HN 0.482 nan 8.250 nan 0.000 0.461 265 F N 1.769 121.746 119.950 0.045 0.000 2.146 265 F HA -0.080 4.447 4.527 0.000 0.000 0.298 265 F C 2.507 178.338 175.800 0.053 0.000 1.096 265 F CA 1.007 59.036 58.000 0.048 0.000 1.275 265 F CB -0.436 38.592 39.000 0.047 0.000 1.008 265 F HN 0.103 nan 8.300 nan 0.000 0.480 266 E N 1.066 121.387 120.200 0.201 0.000 2.106 266 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 266 E C 2.276 178.940 176.600 0.107 0.000 0.984 266 E CA 1.114 57.605 56.400 0.152 0.000 0.806 266 E CB -0.188 29.604 29.700 0.153 0.000 0.750 266 E HN 0.310 nan 8.360 nan 0.000 0.458 267 A N 0.633 123.491 122.820 0.064 0.000 1.930 267 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 267 A C 2.169 179.743 177.584 -0.016 0.000 1.175 267 A CA 1.020 53.065 52.037 0.013 0.000 0.627 267 A CB -0.335 18.649 19.000 -0.026 0.000 0.815 267 A HN 0.265 nan 8.150 nan 0.000 0.443 268 L N -1.113 120.109 121.223 -0.002 0.000 2.168 268 L HA 0.155 4.495 4.340 -0.000 0.000 0.203 268 L C 2.736 179.642 176.870 0.060 0.000 1.078 268 L CA 1.600 56.449 54.840 0.015 0.000 0.780 268 L CB -0.510 41.554 42.059 0.009 0.000 0.939 268 L HN 0.320 nan 8.230 nan 0.000 0.451 269 A N -1.637 121.238 122.820 0.092 0.000 2.206 269 A HA 0.133 4.453 4.320 -0.000 0.000 0.211 269 A C 1.076 178.708 177.584 0.080 0.000 1.158 269 A CA 1.133 53.232 52.037 0.103 0.000 0.761 269 A CB -0.768 18.311 19.000 0.131 0.000 0.801 269 A HN 0.420 nan 8.150 nan 0.000 0.473 270 T N -6.180 108.416 114.554 0.070 0.000 2.812 270 T HA 0.392 4.742 4.350 -0.000 0.000 0.294 270 T C -0.350 174.378 174.700 0.046 0.000 1.159 270 T CA -0.230 61.906 62.100 0.059 0.000 1.008 270 T CB 1.432 70.340 68.868 0.067 0.000 1.289 270 T HN 0.084 nan 8.240 nan 0.000 0.514 271 C N 1.405 120.729 119.300 0.039 0.000 2.849 271 C HA 0.363 4.823 4.460 -0.000 0.000 0.271 271 C C 1.559 176.552 174.990 0.006 0.000 1.519 271 C CA -0.498 58.537 59.018 0.028 0.000 1.783 271 C CB -1.483 26.279 27.740 0.038 0.000 2.869 271 C HN 0.924 nan 8.230 nan 0.000 0.527 272 D N 2.284 122.696 120.400 0.019 0.000 2.133 272 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 272 D C 2.184 178.448 176.300 -0.060 0.000 0.997 272 D CA 1.891 55.911 54.000 0.033 0.000 0.840 272 D CB -0.138 40.745 40.800 0.138 0.000 0.947 272 D HN 0.537 nan 8.370 nan 0.000 0.452 273 A N 0.378 122.998 122.820 -0.332 0.000 1.933 273 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 273 A C 2.369 179.792 177.584 -0.268 0.000 1.175 273 A CA 0.979 52.657 52.037 -0.598 0.000 0.628 273 A CB -0.634 17.825 19.000 -0.903 0.000 0.814 273 A HN 0.238 nan 8.150 nan 0.000 0.444 274 L N -0.785 120.311 121.223 -0.212 0.000 2.131 274 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 274 L C 2.462 179.372 176.870 0.067 0.000 1.087 274 L CA 0.660 55.384 54.840 -0.195 0.000 0.767 274 L CB -0.544 41.345 42.059 -0.284 0.000 0.917 274 L HN 0.225 nan 8.230 nan 0.000 0.441 275 V N -0.365 119.580 119.914 0.052 0.000 2.343 275 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 275 V C 2.597 178.773 176.094 0.136 0.000 1.051 275 V CA 1.550 63.909 62.300 0.099 0.000 1.036 275 V CB -0.463 31.393 31.823 0.055 0.000 0.654 275 V HN 0.473 nan 8.190 nan 0.000 0.451 276 Q N -0.215 119.649 119.800 0.107 0.000 2.049 276 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 276 Q C 2.497 178.584 176.000 0.146 0.000 0.971 276 Q CA 1.829 57.704 55.803 0.120 0.000 0.833 276 Q CB -0.639 28.180 28.738 0.133 0.000 0.896 276 Q HN 0.626 nan 8.270 nan 0.000 0.434 277 A N 0.304 123.220 122.820 0.160 0.000 1.940 277 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 277 A C 1.859 179.609 177.584 0.277 0.000 1.176 277 A CA 1.987 54.154 52.037 0.218 0.000 0.631 277 A CB -0.827 18.313 19.000 0.235 0.000 0.814 277 A HN 0.445 nan 8.150 nan 0.000 0.446 278 H N -0.627 118.618 119.070 0.291 0.000 2.491 278 H HA 0.051 4.607 4.556 -0.000 0.000 0.290 278 H C 2.108 177.468 175.328 0.054 0.000 1.050 278 H CA 1.283 57.429 56.048 0.163 0.000 1.309 278 H CB -0.263 29.619 29.762 0.200 0.000 1.392 278 H HN 0.394 nan 8.280 nan 0.000 0.554 279 G N -0.288 108.587 108.800 0.125 0.000 2.422 279 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 279 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 279 G C 1.838 176.717 174.900 -0.035 0.000 1.146 279 G CA 0.630 45.758 45.100 0.047 0.000 0.769 279 G HN 0.531 nan 8.290 nan 0.000 0.547 280 A N 0.390 123.197 122.820 -0.021 0.000 1.969 280 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 280 A C 2.395 179.915 177.584 -0.107 0.000 1.169 280 A CA 0.944 52.957 52.037 -0.040 0.000 0.635 280 A CB -0.272 18.753 19.000 0.041 0.000 0.810 280 A HN 0.355 nan 8.150 nan 0.000 0.445 281 L N -0.328 120.771 121.223 -0.207 0.000 2.056 281 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 281 L C 2.562 179.254 176.870 -0.297 0.000 1.078 281 L CA 1.838 56.482 54.840 -0.326 0.000 0.749 281 L CB -0.457 41.236 42.059 -0.609 0.000 0.901 281 L HN 0.509 nan 8.230 nan 0.000 0.433 282 K N 0.475 120.703 120.400 -0.286 0.000 2.211 282 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 282 K C 1.865 178.398 176.600 -0.112 0.000 1.050 282 K CA 1.324 57.517 56.287 -0.157 0.000 0.945 282 K CB -1.091 31.373 32.500 -0.060 0.000 0.732 282 K HN 0.124 nan 8.250 nan 0.000 0.451 283 G N 1.429 110.161 108.800 -0.114 0.000 2.404 283 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 283 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 283 G C 1.409 176.258 174.900 -0.085 0.000 1.174 283 G CA 0.778 45.818 45.100 -0.101 0.000 0.780 283 G HN 0.284 nan 8.290 nan 0.000 0.537 284 L N 1.463 122.631 121.223 -0.092 0.000 2.083 284 L HA 0.168 4.508 4.340 -0.000 0.000 0.209 284 L C 2.989 179.800 176.870 -0.099 0.000 1.083 284 L CA 2.010 56.801 54.840 -0.080 0.000 0.752 284 L CB -0.715 41.291 42.059 -0.088 0.000 0.899 284 L HN 0.232 nan 8.230 nan 0.000 0.433 285 A N -0.489 122.263 122.820 -0.115 0.000 1.902 285 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 285 A C 2.450 179.976 177.584 -0.097 0.000 1.181 285 A CA 1.736 53.706 52.037 -0.111 0.000 0.623 285 A CB -1.097 17.840 19.000 -0.105 0.000 0.818 285 A HN 0.563 nan 8.150 nan 0.000 0.443 286 A N -0.630 122.142 122.820 -0.081 0.000 1.930 286 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 286 A C 2.429 179.970 177.584 -0.072 0.000 1.175 286 A CA 1.957 53.953 52.037 -0.068 0.000 0.627 286 A CB -0.729 18.238 19.000 -0.055 0.000 0.815 286 A HN 0.451 nan 8.150 nan 0.000 0.443 287 S N 0.028 115.686 115.700 -0.070 0.000 2.355 287 S HA -0.070 4.400 4.470 -0.000 0.000 0.222 287 S C 1.828 176.358 174.600 -0.117 0.000 1.031 287 S CA 1.403 59.565 58.200 -0.063 0.000 0.993 287 S CB -0.466 62.716 63.200 -0.031 0.000 0.859 287 S HN 0.509 nan 8.310 nan 0.000 0.453 288 L N 0.665 121.800 121.223 -0.148 0.000 2.083 288 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 288 L C 2.558 179.271 176.870 -0.263 0.000 1.083 288 L CA 1.218 55.915 54.840 -0.239 0.000 0.752 288 L CB -0.474 41.443 42.059 -0.238 0.000 0.899 288 L HN 0.342 nan 8.230 nan 0.000 0.433 289 M N -0.139 119.354 119.600 -0.179 0.000 2.108 289 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 289 M C 2.301 178.521 176.300 -0.133 0.000 1.066 289 M CA 1.800 57.014 55.300 -0.144 0.000 1.107 289 M CB -0.248 32.298 32.600 -0.090 0.000 1.356 289 M HN -0.057 nan 8.290 nan 0.000 0.406 290 K N 0.441 120.767 120.400 -0.123 0.000 2.025 290 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 290 K C 1.892 178.377 176.600 -0.192 0.000 1.049 290 K CA 1.826 58.055 56.287 -0.097 0.000 0.933 290 K CB -0.508 31.959 32.500 -0.055 0.000 0.714 290 K HN 0.514 nan 8.250 nan 0.000 0.438 291 I N 1.021 121.385 120.570 -0.344 0.000 2.179 291 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 291 I C 2.501 178.276 176.117 -0.571 0.000 1.088 291 I CA 1.300 62.183 61.300 -0.695 0.000 1.357 291 I CB -0.384 37.213 38.000 -0.673 0.000 1.051 291 I HN 0.138 nan 8.210 nan 0.000 0.409 292 A N 0.842 123.403 122.820 -0.431 0.000 1.902 292 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 292 A C 2.090 179.599 177.584 -0.125 0.000 1.181 292 A CA 1.846 53.699 52.037 -0.307 0.000 0.623 292 A CB -0.640 18.161 19.000 -0.332 0.000 0.818 292 A HN 0.412 nan 8.150 nan 0.000 0.443 293 N N 0.410 119.067 118.700 -0.071 0.000 2.142 293 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 293 N C 1.169 176.811 175.510 0.220 0.000 1.023 293 N CA 1.545 54.658 53.050 0.104 0.000 0.852 293 N CB -0.462 38.126 38.487 0.169 0.000 0.998 293 N HN 0.416 nan 8.380 nan 0.000 0.424 294 D N 0.495 120.958 120.400 0.105 0.000 2.104 294 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 294 D C 2.120 178.555 176.300 0.225 0.000 0.994 294 D CA 0.560 54.686 54.000 0.210 0.000 0.830 294 D CB -0.360 40.590 40.800 0.251 0.000 0.959 294 D HN -0.017 nan 8.370 nan 0.000 0.452 295 V N 1.648 121.600 119.914 0.063 0.000 2.255 295 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 295 V C 2.512 178.675 176.094 0.115 0.000 1.051 295 V CA 2.303 64.677 62.300 0.124 0.000 1.018 295 V CB -0.573 31.308 31.823 0.096 0.000 0.641 295 V HN 0.299 nan 8.190 nan 0.000 0.445 296 R N -1.176 119.352 120.500 0.047 0.000 2.115 296 R HA -0.171 4.169 4.340 -0.000 0.000 0.230 296 R C 2.056 178.297 176.300 -0.099 0.000 1.111 296 R CA 1.815 57.881 56.100 -0.058 0.000 0.976 296 R CB -0.695 29.510 30.300 -0.158 0.000 0.870 296 R HN 0.532 nan 8.270 nan 0.000 0.445 297 W N 1.306 122.631 121.300 0.041 0.000 2.409 297 W HA 0.147 4.807 4.660 -0.000 0.000 0.299 297 W C 2.005 178.556 176.519 0.053 0.000 1.203 297 W CA 0.361 57.731 57.345 0.042 0.000 1.298 297 W CB -0.034 29.451 29.460 0.041 0.000 1.127 297 W HN -0.060 nan 8.180 nan 0.000 0.528 298 L N -0.233 121.168 121.223 0.297 0.000 2.201 298 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 298 L C 2.291 179.243 176.870 0.136 0.000 1.105 298 L CA 1.130 56.096 54.840 0.210 0.000 0.775 298 L CB -0.790 41.403 42.059 0.222 0.000 0.913 298 L HN -0.011 nan 8.230 nan 0.000 0.440 299 A N -0.619 122.263 122.820 0.104 0.000 2.275 299 A HA 0.084 4.404 4.320 -0.000 0.000 0.212 299 A C 1.199 178.797 177.584 0.024 0.000 1.201 299 A CA 0.129 52.198 52.037 0.054 0.000 0.843 299 A CB -0.236 18.788 19.000 0.040 0.000 0.873 299 A HN 0.385 nan 8.150 nan 0.000 0.492 300 S N -0.717 114.999 115.700 0.027 0.000 2.560 300 S HA 0.534 5.004 4.470 -0.000 0.000 0.284 300 S C 0.634 175.248 174.600 0.023 0.000 1.327 300 S CA 0.366 58.561 58.200 -0.009 0.000 1.055 300 S CB 1.025 64.223 63.200 -0.004 0.000 0.868 300 S HN 1.638 nan 8.310 nan 0.000 0.506 301 G N 2.069 110.870 108.800 0.002 0.000 2.553 301 G HA2 0.207 4.167 3.960 -0.000 0.000 0.106 301 G HA3 0.207 4.167 3.960 -0.000 0.000 0.106 301 G C -2.233 172.667 174.900 0.000 0.000 1.126 301 G CA -0.088 45.020 45.100 0.013 0.000 1.075 301 G HN 0.612 nan 8.290 nan 0.000 0.472 302 P HA 0.126 nan 4.420 nan 0.000 0.225 302 P C 0.996 178.305 177.300 0.014 0.000 1.156 302 P CA 0.728 63.833 63.100 0.008 0.000 0.787 302 P CB 0.251 31.953 31.700 0.004 0.000 0.802 303 R N -0.905 119.604 120.500 0.015 0.000 2.316 303 R HA 0.197 4.537 4.340 -0.000 0.000 0.201 303 R C 1.110 177.425 176.300 0.025 0.000 0.888 303 R CA 0.460 56.571 56.100 0.018 0.000 1.041 303 R CB -0.419 29.889 30.300 0.013 0.000 1.115 303 R HN 0.190 nan 8.270 nan 0.000 0.559 304 C N 0.827 120.145 119.300 0.030 0.000 2.863 304 C HA 0.534 4.994 4.460 -0.000 0.000 0.284 304 C C 1.161 176.188 174.990 0.061 0.000 1.426 304 C CA -0.783 58.259 59.018 0.040 0.000 1.782 304 C CB -0.125 27.635 27.740 0.034 0.000 2.554 304 C HN 0.480 nan 8.230 nan 0.000 0.566 305 G N 0.324 109.165 108.800 0.068 0.000 3.286 305 G HA2 0.553 4.513 3.960 -0.000 0.000 0.166 305 G HA3 0.553 4.513 3.960 -0.000 0.000 0.166 305 G C 0.539 175.506 174.900 0.110 0.000 1.155 305 G CA -0.205 44.961 45.100 0.110 0.000 0.871 305 G HN 0.127 nan 8.290 nan 0.000 0.637 306 I N 0.460 121.112 120.570 0.136 0.000 2.556 306 I HA 0.184 4.354 4.170 -0.000 0.000 0.251 306 I C 2.081 178.244 176.117 0.078 0.000 1.105 306 I CA 0.878 62.246 61.300 0.114 0.000 1.436 306 I CB -0.147 37.945 38.000 0.154 0.000 1.139 306 I HN 0.686 nan 8.210 nan 0.000 0.438 307 G N 2.015 110.861 108.800 0.075 0.000 2.341 307 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.292 307 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.292 307 G C 0.589 175.509 174.900 0.032 0.000 1.021 307 G CA 0.679 45.807 45.100 0.046 0.000 0.905 307 G HN 0.511 nan 8.290 nan 0.000 0.508 308 E N -0.972 119.252 120.200 0.041 0.000 2.216 308 E HA 0.150 4.500 4.350 -0.000 0.000 0.192 308 E C 1.650 178.241 176.600 -0.015 0.000 0.988 308 E CA 1.047 57.455 56.400 0.013 0.000 0.834 308 E CB 0.163 29.878 29.700 0.025 0.000 0.772 308 E HN 0.922 nan 8.360 nan 0.000 0.479 309 I N -2.561 118.015 120.570 0.010 0.000 3.108 309 I HA 0.477 4.647 4.170 -0.000 0.000 0.312 309 I C -0.638 175.485 176.117 0.010 0.000 1.095 309 I CA -1.155 60.141 61.300 -0.008 0.000 1.000 309 I CB 2.364 40.383 38.000 0.031 0.000 1.229 309 I HN -0.259 nan 8.210 nan 0.000 0.454 310 S N 3.364 119.066 115.700 0.004 0.000 2.536 310 S HA 0.821 5.291 4.470 -0.000 0.000 0.287 310 S C -0.581 174.032 174.600 0.023 0.000 1.101 310 S CA -0.710 57.497 58.200 0.011 0.000 0.950 310 S CB 1.685 64.886 63.200 0.002 0.000 1.056 310 S HN 0.831 nan 8.310 nan 0.000 0.481 311 I N -1.261 119.320 120.570 0.019 0.000 2.957 311 I HA 0.713 4.883 4.170 -0.000 0.000 0.310 311 I C -2.661 173.462 176.117 0.009 0.000 1.063 311 I CA -2.935 58.374 61.300 0.016 0.000 1.033 311 I CB 1.707 39.715 38.000 0.013 0.000 1.230 311 I HN 0.399 nan 8.210 nan 0.000 0.447 312 P HA 0.059 nan 4.420 nan 0.000 0.271 312 P C -0.892 176.413 177.300 0.008 0.000 1.216 312 P CA 0.085 63.191 63.100 0.010 0.000 0.771 312 P CB 0.858 32.567 31.700 0.016 0.000 0.864 313 E N 3.026 123.229 120.200 0.005 0.000 2.052 313 E HA 0.046 4.396 4.350 -0.000 0.000 0.283 313 E C 0.339 176.938 176.600 -0.002 0.000 1.071 313 E CA -0.387 56.012 56.400 -0.001 0.000 0.851 313 E CB 0.193 29.891 29.700 -0.003 0.000 1.066 313 E HN 0.252 nan 8.360 nan 0.000 0.396 314 N N 3.253 121.947 118.700 -0.011 0.000 2.409 314 N HA -0.000 4.740 4.740 -0.000 0.000 0.174 314 N C -0.479 175.011 175.510 -0.034 0.000 1.037 314 N CA 0.479 53.515 53.050 -0.024 0.000 0.898 314 N CB 0.396 38.852 38.487 -0.051 0.000 1.010 314 N HN 0.456 nan 8.380 nan 0.000 0.445 315 E N 1.244 121.426 120.200 -0.030 0.000 2.214 315 E HA 0.328 4.678 4.350 -0.000 0.000 0.274 315 E C -2.233 174.355 176.600 -0.019 0.000 0.977 315 E CA -1.871 54.512 56.400 -0.029 0.000 0.827 315 E CB 0.907 30.589 29.700 -0.031 0.000 1.130 315 E HN 0.090 nan 8.360 nan 0.000 0.394 316 P HA 0.167 nan 4.420 nan 0.000 0.268 316 P C -0.350 176.943 177.300 -0.012 0.000 1.205 316 P CA -0.213 62.880 63.100 -0.012 0.000 0.771 316 P CB 0.955 32.648 31.700 -0.011 0.000 0.858 317 G N 1.017 109.811 108.800 -0.009 0.000 2.685 317 G HA2 0.445 4.405 3.960 -0.000 0.000 0.298 317 G HA3 0.445 4.405 3.960 -0.000 0.000 0.298 317 G C -0.778 174.118 174.900 -0.007 0.000 1.277 317 G CA -0.617 44.477 45.100 -0.009 0.000 0.986 317 G HN 0.452 nan 8.290 nan 0.000 0.487 318 S N -0.324 115.372 115.700 -0.007 0.000 2.549 318 S HA 0.177 4.647 4.470 -0.000 0.000 0.279 318 S C 1.585 176.183 174.600 -0.004 0.000 1.321 318 S CA -0.050 58.146 58.200 -0.006 0.000 1.054 318 S CB 1.608 64.804 63.200 -0.006 0.000 0.899 318 S HN 0.662 nan 8.310 nan 0.000 0.497 319 S N 1.988 117.686 115.700 -0.003 0.000 2.383 319 S HA 0.006 4.476 4.470 -0.000 0.000 0.227 319 S C 1.354 175.953 174.600 -0.002 0.000 1.026 319 S CA 0.700 58.899 58.200 -0.002 0.000 0.981 319 S CB -0.234 62.965 63.200 -0.002 0.000 0.818 319 S HN 0.731 nan 8.310 nan 0.000 0.472 320 I N 0.318 120.886 120.570 -0.002 0.000 3.646 320 I HA 0.248 4.418 4.170 -0.000 0.000 0.301 320 I C 0.002 176.117 176.117 -0.002 0.000 1.276 320 I CA 0.508 61.807 61.300 -0.002 0.000 1.254 320 I CB 0.016 38.015 38.000 -0.002 0.000 1.020 320 I HN 0.299 nan 8.210 nan 0.000 0.473 321 M N 2.271 121.869 119.600 -0.003 0.000 3.287 321 M HA 0.304 4.784 4.480 -0.000 0.000 0.336 321 M C -2.529 173.768 176.300 -0.004 0.000 1.573 321 M CA -1.390 53.908 55.300 -0.004 0.000 0.609 321 M CB 0.960 33.557 32.600 -0.005 0.000 1.421 321 M HN -0.119 nan 8.290 nan 0.000 0.476 322 P HA 0.327 nan 4.420 nan 0.000 0.276 322 P C 0.755 178.054 177.300 -0.003 0.000 1.230 322 P CA 0.824 63.922 63.100 -0.003 0.000 0.776 322 P CB 1.458 33.157 31.700 -0.002 0.000 0.888 323 G N 2.826 111.623 108.800 -0.004 0.000 2.339 323 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.209 323 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.209 323 G C 0.333 175.229 174.900 -0.007 0.000 1.015 323 G CA -0.030 45.068 45.100 -0.004 0.000 0.635 323 G HN 0.677 nan 8.290 nan 0.000 0.499 324 K N 1.642 122.037 120.400 -0.009 0.000 2.166 324 K HA 0.487 4.807 4.320 -0.000 0.000 0.273 324 K C -0.144 176.446 176.600 -0.017 0.000 1.095 324 K CA -0.026 56.253 56.287 -0.014 0.000 0.985 324 K CB 0.167 32.658 32.500 -0.015 0.000 1.172 324 K HN 0.113 nan 8.250 nan 0.000 0.401 325 V N 5.173 125.076 119.914 -0.018 0.000 2.277 325 V HA 0.147 4.267 4.120 -0.000 0.000 0.269 325 V C -0.396 175.682 176.094 -0.028 0.000 1.036 325 V CA -1.190 61.099 62.300 -0.018 0.000 0.821 325 V CB 0.633 32.449 31.823 -0.012 0.000 1.052 325 V HN 0.687 nan 8.190 nan 0.000 0.462 326 N N 6.863 125.544 118.700 -0.032 0.000 2.483 326 N HA 0.184 4.924 4.740 -0.000 0.000 0.264 326 N C -1.948 173.540 175.510 -0.037 0.000 1.197 326 N CA -1.455 51.569 53.050 -0.043 0.000 0.927 326 N CB 0.965 39.427 38.487 -0.041 0.000 1.065 326 N HN 0.404 nan 8.380 nan 0.000 0.461 327 P HA 0.025 nan 4.420 nan 0.000 0.226 327 P C 0.792 178.084 177.300 -0.013 0.000 1.783 327 P CA -0.072 63.013 63.100 -0.026 0.000 0.980 327 P CB -0.576 31.096 31.700 -0.046 0.000 1.967 328 T N -1.817 112.730 114.554 -0.012 0.000 2.699 328 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 328 T C 1.761 176.471 174.700 0.017 0.000 1.036 328 T CA 1.162 63.256 62.100 -0.009 0.000 1.147 328 T CB -0.648 68.209 68.868 -0.019 0.000 0.862 328 T HN 0.106 nan 8.240 nan 0.000 0.446 329 Q N 0.178 120.009 119.800 0.051 0.000 2.170 329 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 329 Q C 2.734 178.822 176.000 0.146 0.000 0.976 329 Q CA 1.236 57.109 55.803 0.118 0.000 0.858 329 Q CB -0.972 27.869 28.738 0.171 0.000 0.907 329 Q HN 0.677 nan 8.270 nan 0.000 0.433 330 C N 0.727 120.095 119.300 0.114 0.000 2.457 330 C HA -0.059 4.401 4.460 -0.000 0.000 0.278 330 C C 2.439 177.419 174.990 -0.018 0.000 1.309 330 C CA 0.330 59.382 59.018 0.057 0.000 1.735 330 C CB -0.569 27.194 27.740 0.037 0.000 1.992 330 C HN 0.551 nan 8.230 nan 0.000 0.493 331 E N 1.179 121.369 120.200 -0.017 0.000 2.150 331 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 331 E C 2.306 178.891 176.600 -0.025 0.000 0.985 331 E CA 1.250 57.630 56.400 -0.033 0.000 0.814 331 E CB -0.202 29.477 29.700 -0.035 0.000 0.752 331 E HN 0.671 nan 8.360 nan 0.000 0.466 332 A N 1.063 123.878 122.820 -0.009 0.000 1.929 332 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 332 A C 2.117 179.687 177.584 -0.023 0.000 1.176 332 A CA 0.745 52.778 52.037 -0.007 0.000 0.628 332 A CB -0.334 18.674 19.000 0.013 0.000 0.816 332 A HN 0.181 nan 8.150 nan 0.000 0.444 333 L N 0.483 121.682 121.223 -0.039 0.000 2.072 333 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 333 L C 2.802 179.605 176.870 -0.112 0.000 1.079 333 L CA 2.824 57.603 54.840 -0.101 0.000 0.752 333 L CB -0.934 41.000 42.059 -0.209 0.000 0.906 333 L HN 0.573 nan 8.230 nan 0.000 0.436 334 T N -3.526 110.968 114.554 -0.099 0.000 2.788 334 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 334 T C 1.939 176.605 174.700 -0.057 0.000 1.044 334 T CA 1.690 63.740 62.100 -0.083 0.000 1.139 334 T CB -0.514 68.315 68.868 -0.065 0.000 0.867 334 T HN 0.303 nan 8.240 nan 0.000 0.454 335 M N 1.202 120.775 119.600 -0.044 0.000 2.117 335 M HA 0.040 4.520 4.480 -0.000 0.000 0.262 335 M C 2.299 178.581 176.300 -0.030 0.000 1.065 335 M CA 1.633 56.915 55.300 -0.029 0.000 1.114 335 M CB -0.641 31.947 32.600 -0.021 0.000 1.361 335 M HN 0.403 nan 8.290 nan 0.000 0.408 336 L N -2.374 118.826 121.223 -0.038 0.000 2.291 336 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 336 L C 2.143 178.984 176.870 -0.050 0.000 1.120 336 L CA 1.281 56.097 54.840 -0.039 0.000 0.799 336 L CB -1.455 40.580 42.059 -0.041 0.000 0.925 336 L HN 0.179 nan 8.230 nan 0.000 0.446 337 C N -0.619 118.644 119.300 -0.063 0.000 2.466 337 C HA -0.079 4.381 4.460 -0.000 0.000 0.278 337 C C 2.964 177.927 174.990 -0.045 0.000 1.288 337 C CA 0.763 59.739 59.018 -0.069 0.000 1.722 337 C CB -1.166 26.521 27.740 -0.088 0.000 2.017 337 C HN 0.806 nan 8.230 nan 0.000 0.488 338 C N -0.245 119.034 119.300 -0.033 0.000 2.425 338 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 338 C C 2.748 177.733 174.990 -0.007 0.000 1.280 338 C CA 1.359 60.367 59.018 -0.017 0.000 1.744 338 C CB -1.383 26.350 27.740 -0.012 0.000 1.989 338 C HN 0.650 nan 8.230 nan 0.000 0.491 339 Q N 0.968 120.763 119.800 -0.009 0.000 2.050 339 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 339 Q C 2.111 178.118 176.000 0.012 0.000 0.980 339 Q CA 1.929 57.732 55.803 0.001 0.000 0.840 339 Q CB -0.437 28.297 28.738 -0.006 0.000 0.898 339 Q HN 0.492 nan 8.270 nan 0.000 0.424 340 V N 0.294 120.210 119.914 0.002 0.000 2.407 340 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 340 V C 2.256 178.400 176.094 0.084 0.000 1.055 340 V CA 1.744 64.065 62.300 0.035 0.000 1.049 340 V CB -0.618 31.176 31.823 -0.049 0.000 0.662 340 V HN 0.430 nan 8.190 nan 0.000 0.455 341 M N 0.441 120.060 119.600 0.032 0.000 2.108 341 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 341 M C 2.352 178.680 176.300 0.047 0.000 1.066 341 M CA 2.208 57.529 55.300 0.035 0.000 1.107 341 M CB -1.804 30.801 32.600 0.009 0.000 1.356 341 M HN 0.449 nan 8.290 nan 0.000 0.406 342 G N 0.345 109.166 108.800 0.035 0.000 2.408 342 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 342 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 342 G C 1.412 176.331 174.900 0.031 0.000 1.150 342 G CA 0.593 45.712 45.100 0.030 0.000 0.776 342 G HN 0.388 nan 8.290 nan 0.000 0.542 343 N N 0.754 119.476 118.700 0.035 0.000 2.223 343 N HA -0.074 4.666 4.740 -0.000 0.000 0.185 343 N C 1.729 177.178 175.510 -0.101 0.000 1.016 343 N CA 1.254 54.294 53.050 -0.015 0.000 0.863 343 N CB -0.321 38.160 38.487 -0.010 0.000 0.983 343 N HN 0.390 nan 8.380 nan 0.000 0.429 344 D N -0.064 120.341 120.400 0.008 0.000 2.117 344 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 344 D C 1.790 178.086 176.300 -0.006 0.000 0.987 344 D CA 0.613 54.621 54.000 0.014 0.000 0.829 344 D CB 0.171 41.098 40.800 0.213 0.000 0.961 344 D HN -0.067 nan 8.370 nan 0.000 0.460 345 V N 0.668 120.590 119.914 0.013 0.000 2.343 345 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 345 V C 2.516 178.613 176.094 0.004 0.000 1.051 345 V CA 1.780 64.085 62.300 0.010 0.000 1.036 345 V CB -0.907 30.925 31.823 0.015 0.000 0.654 345 V HN 0.334 nan 8.190 nan 0.000 0.451 346 A N -0.153 122.673 122.820 0.011 0.000 1.902 346 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 346 A C 2.191 179.791 177.584 0.027 0.000 1.181 346 A CA 1.937 53.998 52.037 0.040 0.000 0.623 346 A CB -0.546 18.501 19.000 0.078 0.000 0.818 346 A HN 0.503 nan 8.150 nan 0.000 0.443 347 I N 0.046 120.601 120.570 -0.025 0.000 2.286 347 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 347 I C 2.102 178.205 176.117 -0.022 0.000 1.115 347 I CA 1.066 62.347 61.300 -0.031 0.000 1.392 347 I CB -0.415 37.504 38.000 -0.134 0.000 1.065 347 I HN 0.307 nan 8.210 nan 0.000 0.418 348 N N 0.827 119.513 118.700 -0.024 0.000 2.084 348 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 348 N C 1.889 177.362 175.510 -0.061 0.000 1.030 348 N CA 1.504 54.540 53.050 -0.024 0.000 0.849 348 N CB -0.316 38.166 38.487 -0.008 0.000 1.012 348 N HN 0.321 nan 8.380 nan 0.000 0.423 349 M N -0.074 119.486 119.600 -0.066 0.000 2.159 349 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 349 M C 2.207 178.347 176.300 -0.266 0.000 1.063 349 M CA 1.627 56.853 55.300 -0.123 0.000 1.110 349 M CB -0.605 31.952 32.600 -0.072 0.000 1.374 349 M HN 0.187 nan 8.290 nan 0.000 0.411 350 G N -0.115 108.563 108.800 -0.203 0.000 2.402 350 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 350 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 350 G C 1.522 176.262 174.900 -0.267 0.000 1.162 350 G CA 0.848 45.758 45.100 -0.317 0.000 0.777 350 G HN 0.559 nan 8.290 nan 0.000 0.539 351 G N 0.723 109.454 108.800 -0.115 0.000 2.443 351 G HA2 0.138 4.098 3.960 -0.000 0.000 0.219 351 G HA3 0.138 4.098 3.960 -0.000 0.000 0.219 351 G C 1.790 176.633 174.900 -0.095 0.000 1.131 351 G CA 1.307 46.368 45.100 -0.064 0.000 0.775 351 G HN 0.634 nan 8.290 nan 0.000 0.547 352 A N 0.171 122.904 122.820 -0.144 0.000 2.132 352 A HA 0.341 4.661 4.320 -0.000 0.000 0.213 352 A C 2.130 179.602 177.584 -0.187 0.000 1.154 352 A CA 1.143 53.102 52.037 -0.131 0.000 0.753 352 A CB 0.097 19.031 19.000 -0.109 0.000 0.826 352 A HN 0.185 nan 8.150 nan 0.000 0.469 353 S N 0.616 116.111 115.700 -0.340 0.000 2.660 353 S HA 0.283 4.753 4.470 -0.000 0.000 0.227 353 S C 1.015 175.508 174.600 -0.179 0.000 0.948 353 S CA 0.111 58.069 58.200 -0.404 0.000 0.948 353 S CB -0.164 62.452 63.200 -0.973 0.000 0.779 353 S HN 0.665 nan 8.310 nan 0.000 0.487 354 G N 1.584 110.333 108.800 -0.084 0.000 2.569 354 G HA2 0.392 4.352 3.960 -0.000 0.000 0.249 354 G HA3 0.392 4.352 3.960 -0.000 0.000 0.249 354 G C -0.469 174.411 174.900 -0.034 0.000 1.216 354 G CA -0.492 44.622 45.100 0.023 0.000 0.845 354 G HN 0.413 nan 8.290 nan 0.000 0.568 355 N N 0.004 118.695 118.700 -0.016 0.000 2.352 355 N HA 0.522 5.262 4.740 -0.000 0.000 0.291 355 N C -0.257 175.208 175.510 -0.076 0.000 1.040 355 N CA -0.643 52.283 53.050 -0.206 0.000 0.864 355 N CB 1.747 40.145 38.487 -0.149 0.000 1.440 355 N HN 0.428 nan 8.380 nan 0.000 0.483 356 F N 0.295 120.279 119.950 0.057 0.000 2.756 356 F HA -0.378 4.149 4.527 -0.000 0.000 0.240 356 F C 1.807 177.652 175.800 0.074 0.000 1.487 356 F CA 1.213 59.246 58.000 0.055 0.000 1.859 356 F CB -0.857 38.172 39.000 0.048 0.000 1.319 356 F HN 0.454 nan 8.300 nan 0.000 0.230 357 E N 0.313 120.713 120.200 0.334 0.000 2.427 357 E HA 0.245 4.595 4.350 -0.000 0.000 0.196 357 E C -0.080 176.623 176.600 0.172 0.000 1.028 357 E CA 0.737 57.274 56.400 0.229 0.000 0.864 357 E CB 0.004 29.820 29.700 0.194 0.000 0.813 357 E HN 0.313 nan 8.360 nan 0.000 0.514 358 L N 0.441 121.763 121.223 0.164 0.000 2.493 358 L HA 0.365 4.705 4.340 -0.000 0.000 0.265 358 L C -1.427 175.518 176.870 0.125 0.000 0.954 358 L CA -0.600 54.314 54.840 0.122 0.000 0.844 358 L CB 1.854 43.972 42.059 0.099 0.000 1.302 358 L HN -0.193 nan 8.230 nan 0.000 0.405 359 N N 3.577 122.347 118.700 0.118 0.000 2.422 359 N HA 0.269 5.009 4.740 -0.000 0.000 0.264 359 N C -0.357 175.255 175.510 0.170 0.000 1.063 359 N CA -0.125 53.019 53.050 0.157 0.000 0.959 359 N CB 1.610 40.176 38.487 0.132 0.000 1.087 359 N HN 0.521 nan 8.380 nan 0.000 0.483 360 V N 1.865 121.909 119.914 0.217 0.000 2.852 360 V HA 0.460 4.580 4.120 -0.000 0.000 0.359 360 V C -0.385 175.670 176.094 -0.065 0.000 1.244 360 V CA -0.380 61.956 62.300 0.059 0.000 1.371 360 V CB -1.318 30.484 31.823 -0.036 0.000 1.491 360 V HN 0.424 nan 8.190 nan 0.000 0.603 361 F N -0.119 119.852 119.950 0.035 0.000 2.775 361 F HA 0.488 5.015 4.527 -0.000 0.000 0.313 361 F C 1.902 177.741 175.800 0.064 0.000 1.121 361 F CA -0.645 57.387 58.000 0.053 0.000 1.206 361 F CB 0.449 39.484 39.000 0.059 0.000 1.052 361 F HN 0.092 nan 8.300 nan 0.000 0.524 362 R N 0.758 121.367 120.500 0.182 0.000 2.080 362 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 362 R C -0.628 175.819 176.300 0.245 0.000 1.137 362 R CA 1.869 58.099 56.100 0.217 0.000 0.943 362 R CB -1.751 28.721 30.300 0.287 0.000 0.846 362 R HN 0.171 nan 8.270 nan 0.000 0.431 363 P HA -0.219 nan 4.420 nan 0.000 0.216 363 P C 1.382 178.689 177.300 0.011 0.000 1.153 363 P CA 1.236 64.380 63.100 0.074 0.000 0.858 363 P CB -0.083 31.498 31.700 -0.198 0.000 0.789 364 M N -0.569 119.049 119.600 0.031 0.000 2.175 364 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 364 M C 1.712 178.132 176.300 0.200 0.000 1.063 364 M CA 1.842 57.222 55.300 0.133 0.000 1.119 364 M CB -0.929 31.871 32.600 0.335 0.000 1.377 364 M HN -0.196 nan 8.290 nan 0.000 0.415 365 V N 0.715 120.737 119.914 0.180 0.000 2.307 365 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 365 V C 2.444 178.620 176.094 0.137 0.000 1.045 365 V CA 1.633 64.018 62.300 0.142 0.000 1.024 365 V CB -0.791 31.105 31.823 0.123 0.000 0.651 365 V HN 0.449 nan 8.190 nan 0.000 0.449 366 I N -0.264 120.382 120.570 0.127 0.000 2.394 366 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 366 I C 2.370 178.575 176.117 0.145 0.000 1.136 366 I CA 1.797 63.163 61.300 0.109 0.000 1.425 366 I CB -0.540 37.468 38.000 0.013 0.000 1.079 366 I HN 0.522 nan 8.210 nan 0.000 0.425 367 H N 0.509 119.598 119.070 0.032 0.000 2.319 367 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 367 H C 1.963 177.325 175.328 0.057 0.000 1.092 367 H CA 2.574 58.621 56.048 -0.000 0.000 1.302 367 H CB -0.442 29.257 29.762 -0.104 0.000 1.373 367 H HN 0.401 nan 8.280 nan 0.000 0.497 368 N N -0.947 117.682 118.700 -0.118 0.000 2.142 368 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 368 N C 1.538 177.006 175.510 -0.069 0.000 1.023 368 N CA 1.104 54.052 53.050 -0.169 0.000 0.852 368 N CB -0.299 38.148 38.487 -0.066 0.000 0.998 368 N HN 0.275 nan 8.380 nan 0.000 0.424 369 F N 1.312 121.212 119.950 -0.083 0.000 2.075 369 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 369 F C 1.762 177.579 175.800 0.028 0.000 1.113 369 F CA 1.255 59.267 58.000 0.021 0.000 1.218 369 F CB -0.239 38.778 39.000 0.028 0.000 0.984 369 F HN -0.034 nan 8.300 nan 0.000 0.472 370 L N -0.051 121.291 121.223 0.199 0.000 2.083 370 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 370 L C 2.565 179.413 176.870 -0.036 0.000 1.083 370 L CA 1.662 56.557 54.840 0.092 0.000 0.752 370 L CB -0.846 41.271 42.059 0.097 0.000 0.899 370 L HN 0.327 nan 8.230 nan 0.000 0.433 371 Q N -0.231 119.516 119.800 -0.087 0.000 2.084 371 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 371 Q C 2.278 178.219 176.000 -0.099 0.000 0.978 371 Q CA 1.893 57.632 55.803 -0.108 0.000 0.844 371 Q CB 0.108 28.731 28.738 -0.191 0.000 0.898 371 Q HN 0.415 nan 8.270 nan 0.000 0.426 372 S N -0.160 115.471 115.700 -0.115 0.000 2.368 372 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 372 S C 1.964 176.453 174.600 -0.185 0.000 1.030 372 S CA 1.293 59.418 58.200 -0.125 0.000 0.999 372 S CB -0.204 62.964 63.200 -0.053 0.000 0.844 372 S HN 0.263 nan 8.310 nan 0.000 0.459 373 V N 1.563 121.335 119.914 -0.236 0.000 2.295 373 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 373 V C 2.475 178.510 176.094 -0.098 0.000 1.049 373 V CA 1.804 63.993 62.300 -0.185 0.000 1.024 373 V CB -0.587 31.145 31.823 -0.152 0.000 0.648 373 V HN 0.328 nan 8.190 nan 0.000 0.447 374 R N -0.392 120.066 120.500 -0.072 0.000 2.080 374 R HA -0.128 4.212 4.340 -0.000 0.000 0.236 374 R C 2.326 178.602 176.300 -0.041 0.000 1.137 374 R CA 1.679 57.755 56.100 -0.041 0.000 0.943 374 R CB -0.362 29.921 30.300 -0.030 0.000 0.846 374 R HN 0.426 nan 8.270 nan 0.000 0.431 375 L N 0.329 121.520 121.223 -0.053 0.000 2.012 375 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 375 L C 2.406 179.244 176.870 -0.054 0.000 1.073 375 L CA 1.347 56.159 54.840 -0.047 0.000 0.748 375 L CB -0.443 41.585 42.059 -0.052 0.000 0.891 375 L HN 0.287 nan 8.230 nan 0.000 0.431 376 L N -0.725 120.451 121.223 -0.078 0.000 2.056 376 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 376 L C 2.866 179.704 176.870 -0.054 0.000 1.078 376 L CA 1.099 55.890 54.840 -0.082 0.000 0.749 376 L CB -0.678 41.312 42.059 -0.115 0.000 0.901 376 L HN 0.232 nan 8.230 nan 0.000 0.433 377 A N 0.096 122.888 122.820 -0.046 0.000 1.845 377 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 377 A C 1.915 179.497 177.584 -0.004 0.000 1.195 377 A CA 2.061 54.084 52.037 -0.024 0.000 0.616 377 A CB -0.618 18.369 19.000 -0.022 0.000 0.832 377 A HN 0.341 nan 8.150 nan 0.000 0.443 378 D N -0.394 120.005 120.400 -0.001 0.000 2.178 378 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 378 D C 2.016 178.336 176.300 0.034 0.000 0.974 378 D CA 1.296 55.307 54.000 0.018 0.000 0.841 378 D CB -0.657 40.153 40.800 0.017 0.000 0.953 378 D HN 0.442 nan 8.370 nan 0.000 0.478 379 G N 0.410 109.219 108.800 0.016 0.000 2.402 379 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 379 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 379 G C 1.634 176.570 174.900 0.060 0.000 1.162 379 G CA 0.440 45.553 45.100 0.023 0.000 0.777 379 G HN 0.194 nan 8.290 nan 0.000 0.539 380 M N -0.027 119.596 119.600 0.039 0.000 2.132 380 M HA -0.000 4.480 4.480 -0.000 0.000 0.263 380 M C 2.474 178.848 176.300 0.124 0.000 1.065 380 M CA 1.087 56.441 55.300 0.088 0.000 1.122 380 M CB -0.240 32.385 32.600 0.042 0.000 1.365 380 M HN 0.173 nan 8.290 nan 0.000 0.411 381 E N 0.222 120.463 120.200 0.068 0.000 2.038 381 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 381 E C 2.039 178.662 176.600 0.038 0.000 1.000 381 E CA 1.701 58.124 56.400 0.038 0.000 0.803 381 E CB -0.189 29.524 29.700 0.022 0.000 0.750 381 E HN 0.320 nan 8.360 nan 0.000 0.448 382 S N -0.516 115.243 115.700 0.098 0.000 2.368 382 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 382 S C 1.837 176.551 174.600 0.190 0.000 1.030 382 S CA 1.169 59.477 58.200 0.181 0.000 0.999 382 S CB -0.518 62.813 63.200 0.219 0.000 0.844 382 S HN 0.389 nan 8.310 nan 0.000 0.459 383 F N 3.035 123.005 119.950 0.033 0.000 2.134 383 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 383 F C 2.135 177.936 175.800 0.001 0.000 1.097 383 F CA 1.883 59.894 58.000 0.018 0.000 1.264 383 F CB -0.757 38.236 39.000 -0.012 0.000 1.001 383 F HN 0.321 nan 8.300 nan 0.000 0.479 384 N N 0.648 119.343 118.700 -0.008 0.000 2.028 384 N HA -0.287 4.453 4.740 -0.000 0.000 0.194 384 N C 2.114 177.510 175.510 -0.191 0.000 1.050 384 N CA 1.809 54.787 53.050 -0.120 0.000 0.848 384 N CB -0.318 38.159 38.487 -0.015 0.000 1.038 384 N HN 0.353 nan 8.380 nan 0.000 0.423 385 K N -0.123 120.151 120.400 -0.211 0.000 2.026 385 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 385 K C 1.440 177.822 176.600 -0.363 0.000 1.048 385 K CA 1.358 57.446 56.287 -0.332 0.000 0.929 385 K CB -0.108 32.097 32.500 -0.492 0.000 0.713 385 K HN 0.383 nan 8.250 nan 0.000 0.439 386 H N -1.383 117.647 119.070 -0.066 0.000 2.526 386 H HA 0.129 4.685 4.556 -0.000 0.000 0.274 386 H C 1.030 176.294 175.328 -0.107 0.000 0.999 386 H CA 0.557 56.567 56.048 -0.062 0.000 1.157 386 H CB 0.434 30.180 29.762 -0.026 0.000 1.407 386 H HN 0.360 nan 8.280 nan 0.000 0.568 387 C N -1.014 118.201 119.300 -0.142 0.000 3.246 387 C HA 0.450 4.910 4.460 -0.000 0.000 0.356 387 C C 2.788 177.585 174.990 -0.322 0.000 2.005 387 C CA 0.967 59.841 59.018 -0.240 0.000 1.822 387 C CB -0.609 26.923 27.740 -0.346 0.000 2.052 387 C HN 0.378 nan 8.230 nan 0.000 0.597 388 A N 1.604 124.072 122.820 -0.586 0.000 1.903 388 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 388 A C 2.079 179.581 177.584 -0.136 0.000 1.191 388 A CA 3.437 55.242 52.037 -0.387 0.000 0.638 388 A CB -1.359 17.388 19.000 -0.422 0.000 0.823 388 A HN 1.457 nan 8.150 nan 0.000 0.451 389 V N -2.507 117.330 119.914 -0.128 0.000 2.720 389 V HA 0.040 4.160 4.120 -0.000 0.000 0.256 389 V C 1.878 177.957 176.094 -0.025 0.000 1.082 389 V CA 1.863 64.124 62.300 -0.064 0.000 1.101 389 V CB -1.304 30.477 31.823 -0.071 0.000 0.693 389 V HN 0.520 nan 8.190 nan 0.000 0.479 390 G N -0.329 108.453 108.800 -0.030 0.000 3.337 390 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 390 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 390 G C 0.428 175.358 174.900 0.051 0.000 1.131 390 G CA -0.409 44.697 45.100 0.010 0.000 0.773 390 G HN 0.509 nan 8.290 nan 0.000 0.544 391 I N 1.919 122.541 120.570 0.086 0.000 2.587 391 I HA 0.141 4.311 4.170 -0.000 0.000 0.284 391 I C -0.358 175.893 176.117 0.225 0.000 1.134 391 I CA 0.308 61.699 61.300 0.152 0.000 1.410 391 I CB 0.722 38.862 38.000 0.233 0.000 1.392 391 I HN -0.001 nan 8.210 nan 0.000 0.545 392 E N 8.725 128.983 120.200 0.097 0.000 2.293 392 E HA 0.450 4.800 4.350 -0.000 0.000 0.270 392 E C -2.507 173.994 176.600 -0.164 0.000 0.879 392 E CA -2.020 54.392 56.400 0.019 0.000 0.756 392 E CB 2.158 31.885 29.700 0.044 0.000 1.208 392 E HN 0.247 nan 8.360 nan 0.000 0.428 393 P HA 0.238 nan 4.420 nan 0.000 0.285 393 P C -0.390 176.809 177.300 -0.168 0.000 1.259 393 P CA -0.603 62.288 63.100 -0.348 0.000 0.794 393 P CB 0.725 32.078 31.700 -0.578 0.000 0.940 394 N N 3.429 122.065 118.700 -0.107 0.000 3.188 394 N HA 0.110 4.850 4.740 -0.000 0.000 0.279 394 N C 1.381 176.857 175.510 -0.057 0.000 1.213 394 N CA -0.172 52.843 53.050 -0.059 0.000 1.138 394 N CB -0.096 38.373 38.487 -0.031 0.000 1.417 394 N HN 0.327 nan 8.380 nan 0.000 0.526 395 R N 0.775 121.235 120.500 -0.067 0.000 2.159 395 R HA -0.235 4.105 4.340 -0.000 0.000 0.252 395 R C 1.393 177.677 176.300 -0.028 0.000 1.144 395 R CA 1.546 57.615 56.100 -0.051 0.000 0.961 395 R CB -0.010 30.266 30.300 -0.040 0.000 0.877 395 R HN 0.525 nan 8.270 nan 0.000 0.444 396 E N -0.079 120.109 120.200 -0.019 0.000 2.023 396 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 396 E C 2.214 178.810 176.600 -0.006 0.000 1.003 396 E CA 0.780 57.175 56.400 -0.009 0.000 0.809 396 E CB -0.074 29.623 29.700 -0.005 0.000 0.755 396 E HN 0.175 nan 8.360 nan 0.000 0.449 397 R N 0.734 121.230 120.500 -0.007 0.000 2.103 397 R HA -0.135 4.205 4.340 -0.000 0.000 0.242 397 R C 2.334 178.633 176.300 -0.001 0.000 1.142 397 R CA 0.987 57.087 56.100 -0.001 0.000 0.960 397 R CB -0.806 29.494 30.300 0.001 0.000 0.858 397 R HN 0.305 nan 8.270 nan 0.000 0.439 398 I N 0.573 121.135 120.570 -0.012 0.000 2.163 398 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 398 I C 1.695 177.810 176.117 -0.004 0.000 1.085 398 I CA 1.684 62.976 61.300 -0.013 0.000 1.347 398 I CB -0.384 37.595 38.000 -0.034 0.000 1.044 398 I HN 0.257 nan 8.210 nan 0.000 0.408 399 N N 0.096 118.794 118.700 -0.003 0.000 2.142 399 N HA -0.242 4.498 4.740 -0.000 0.000 0.186 399 N C 1.860 177.377 175.510 0.012 0.000 1.023 399 N CA 0.846 53.900 53.050 0.006 0.000 0.852 399 N CB -0.111 38.379 38.487 0.006 0.000 0.998 399 N HN 0.353 nan 8.380 nan 0.000 0.424 400 Q N 0.928 120.734 119.800 0.010 0.000 2.077 400 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 400 Q C 1.894 177.904 176.000 0.016 0.000 0.989 400 Q CA 1.320 57.130 55.803 0.013 0.000 0.853 400 Q CB -0.114 28.630 28.738 0.010 0.000 0.907 400 Q HN 0.418 nan 8.270 nan 0.000 0.418 401 L N 0.363 121.594 121.223 0.015 0.000 2.046 401 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 401 L C 2.614 179.494 176.870 0.017 0.000 1.077 401 L CA 0.812 55.661 54.840 0.016 0.000 0.747 401 L CB -0.461 41.607 42.059 0.016 0.000 0.896 401 L HN 0.372 nan 8.230 nan 0.000 0.432 402 L N 0.106 121.339 121.223 0.017 0.000 2.042 402 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 402 L C 1.799 178.689 176.870 0.033 0.000 1.076 402 L CA 1.378 56.230 54.840 0.021 0.000 0.749 402 L CB -0.288 41.782 42.059 0.017 0.000 0.893 402 L HN 0.450 nan 8.230 nan 0.000 0.432 403 N N -0.535 118.188 118.700 0.038 0.000 2.383 403 N HA -0.108 4.632 4.740 -0.000 0.000 0.192 403 N C 1.103 176.643 175.510 0.050 0.000 1.141 403 N CA 0.431 53.514 53.050 0.056 0.000 0.851 403 N CB 0.423 38.943 38.487 0.055 0.000 0.976 403 N HN 0.502 nan 8.380 nan 0.000 0.465 404 E N 0.293 120.514 120.200 0.035 0.000 2.465 404 E HA 0.026 4.376 4.350 -0.000 0.000 0.209 404 E C -0.132 176.482 176.600 0.023 0.000 0.951 404 E CA -0.169 56.248 56.400 0.027 0.000 0.997 404 E CB 0.489 30.201 29.700 0.020 0.000 1.025 404 E HN 0.164 nan 8.360 nan 0.000 0.500 405 S N 0.357 116.071 115.700 0.023 0.000 2.584 405 S HA 0.150 4.620 4.470 -0.000 0.000 0.273 405 S C 1.002 175.612 174.600 0.017 0.000 1.311 405 S CA -0.741 57.464 58.200 0.009 0.000 1.034 405 S CB 1.181 64.383 63.200 0.004 0.000 0.939 405 S HN 0.139 nan 8.310 nan 0.000 0.513 406 L N 1.667 122.887 121.223 -0.006 0.000 2.554 406 L HA 0.133 4.473 4.340 -0.000 0.000 0.226 406 L C 1.990 178.860 176.870 -0.000 0.000 1.137 406 L CA 0.694 55.535 54.840 0.002 0.000 0.863 406 L CB -1.562 40.478 42.059 -0.031 0.000 0.985 406 L HN 0.702 nan 8.230 nan 0.000 0.451 407 M N -0.356 119.240 119.600 -0.007 0.000 2.346 407 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 407 M C 2.071 178.370 176.300 -0.003 0.000 1.064 407 M CA 1.285 56.579 55.300 -0.009 0.000 1.083 407 M CB -0.914 31.681 32.600 -0.008 0.000 1.399 407 M HN 0.242 nan 8.290 nan 0.000 0.435 408 L N -1.185 120.046 121.223 0.014 0.000 2.465 408 L HA -0.058 4.282 4.340 -0.000 0.000 0.224 408 L C 2.346 179.219 176.870 0.005 0.000 1.145 408 L CA -0.119 54.728 54.840 0.011 0.000 0.834 408 L CB -0.608 41.467 42.059 0.027 0.000 0.944 408 L HN 0.065 nan 8.230 nan 0.000 0.451 409 V N 0.748 120.672 119.914 0.016 0.000 2.660 409 V HA -0.318 3.802 4.120 -0.000 0.000 0.257 409 V C 2.571 178.647 176.094 -0.030 0.000 1.088 409 V CA 2.527 64.836 62.300 0.014 0.000 1.106 409 V CB -0.496 31.326 31.823 -0.001 0.000 0.686 409 V HN 0.766 nan 8.190 nan 0.000 0.481 410 T N -1.371 113.157 114.554 -0.044 0.000 2.759 410 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 410 T C 1.956 176.627 174.700 -0.049 0.000 1.042 410 T CA 1.559 63.625 62.100 -0.057 0.000 1.140 410 T CB -0.815 68.030 68.868 -0.038 0.000 0.864 410 T HN 0.655 nan 8.240 nan 0.000 0.455 411 A N 1.497 124.300 122.820 -0.028 0.000 2.019 411 A HA 0.156 4.476 4.320 -0.000 0.000 0.219 411 A C 2.399 180.005 177.584 0.036 0.000 1.164 411 A CA 1.219 53.254 52.037 -0.003 0.000 0.644 411 A CB -0.848 18.152 19.000 0.001 0.000 0.805 411 A HN 0.578 nan 8.150 nan 0.000 0.449 412 L N -0.558 120.680 121.223 0.025 0.000 2.156 412 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 412 L C 2.261 179.099 176.870 -0.053 0.000 1.095 412 L CA 0.822 55.698 54.840 0.059 0.000 0.770 412 L CB -0.648 41.484 42.059 0.122 0.000 0.914 412 L HN 0.454 nan 8.230 nan 0.000 0.439 413 N N -0.073 118.576 118.700 -0.085 0.000 2.094 413 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 413 N C 1.505 176.902 175.510 -0.188 0.000 1.023 413 N CA 2.046 55.033 53.050 -0.105 0.000 0.857 413 N CB -0.186 38.252 38.487 -0.082 0.000 1.013 413 N HN 0.367 nan 8.380 nan 0.000 0.426 414 T N -0.506 113.855 114.554 -0.321 0.000 3.051 414 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 414 T C 0.675 174.889 174.700 -0.811 0.000 1.127 414 T CA 1.118 62.897 62.100 -0.535 0.000 1.107 414 T CB -0.152 68.321 68.868 -0.657 0.000 0.898 414 T HN 0.484 nan 8.240 nan 0.000 0.517 415 H N -1.258 117.519 119.070 -0.488 0.000 3.058 415 H HA 0.584 5.140 4.556 -0.000 0.000 0.266 415 H C -0.439 174.599 175.328 -0.483 0.000 1.135 415 H CA -0.485 55.102 56.048 -0.767 0.000 1.174 415 H CB 0.866 29.490 29.762 -1.896 0.000 1.581 415 H HN 0.161 nan 8.280 nan 0.000 0.553 416 I N 0.318 120.779 120.570 -0.182 0.000 2.753 416 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 416 I C -0.134 175.971 176.117 -0.021 0.000 1.425 416 I CA -0.623 60.642 61.300 -0.058 0.000 1.039 416 I CB 1.413 39.436 38.000 0.038 0.000 1.349 416 I HN 0.170 nan 8.210 nan 0.000 0.430 417 G N 5.306 114.109 108.800 0.004 0.000 2.238 417 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.234 417 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.234 417 G C 0.450 175.415 174.900 0.107 0.000 1.181 417 G CA 0.635 45.767 45.100 0.052 0.000 0.871 417 G HN 0.841 nan 8.290 nan 0.000 0.490 418 Y N 1.287 121.586 120.300 -0.002 0.000 2.096 418 Y HA -0.375 4.175 4.550 -0.000 0.000 0.276 418 Y C 2.698 178.620 175.900 0.038 0.000 1.209 418 Y CA 2.983 61.090 58.100 0.010 0.000 1.137 418 Y CB 0.131 38.591 38.460 -0.001 0.000 0.956 418 Y HN 0.768 nan 8.280 nan 0.000 0.506 419 D N -1.139 119.422 120.400 0.268 0.000 2.117 419 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 419 D C 1.681 178.072 176.300 0.152 0.000 0.982 419 D CA 1.184 55.301 54.000 0.195 0.000 0.828 419 D CB -0.301 40.600 40.800 0.168 0.000 0.967 419 D HN 0.280 nan 8.370 nan 0.000 0.464 420 K N 1.328 121.831 120.400 0.172 0.000 2.025 420 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 420 K C 2.410 179.171 176.600 0.267 0.000 1.049 420 K CA 1.273 57.734 56.287 0.290 0.000 0.933 420 K CB -0.830 31.796 32.500 0.209 0.000 0.714 420 K HN 0.248 nan 8.250 nan 0.000 0.438 421 A N 1.559 124.469 122.820 0.150 0.000 1.877 421 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 421 A C 2.417 180.022 177.584 0.036 0.000 1.186 421 A CA 2.315 54.411 52.037 0.100 0.000 0.620 421 A CB -0.743 18.261 19.000 0.006 0.000 0.822 421 A HN 0.308 nan 8.150 nan 0.000 0.443 422 A N -0.659 122.139 122.820 -0.037 0.000 2.019 422 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 422 A C 1.953 179.546 177.584 0.015 0.000 1.164 422 A CA 1.714 53.718 52.037 -0.055 0.000 0.644 422 A CB -0.486 18.456 19.000 -0.096 0.000 0.805 422 A HN 0.701 nan 8.150 nan 0.000 0.449 423 E N 0.329 120.560 120.200 0.051 0.000 2.077 423 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 423 E C 1.934 178.515 176.600 -0.031 0.000 0.989 423 E CA 1.575 57.990 56.400 0.026 0.000 0.800 423 E CB -0.306 29.430 29.700 0.061 0.000 0.746 423 E HN 0.817 nan 8.360 nan 0.000 0.452 424 I N -1.954 118.601 120.570 -0.025 0.000 2.439 424 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 424 I C 2.361 178.482 176.117 0.006 0.000 1.139 424 I CA 1.191 62.466 61.300 -0.042 0.000 1.438 424 I CB -0.322 37.684 38.000 0.009 0.000 1.085 424 I HN 0.003 nan 8.210 nan 0.000 0.427 425 A N 1.996 124.834 122.820 0.030 0.000 1.969 425 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 425 A C 2.337 179.962 177.584 0.068 0.000 1.169 425 A CA 1.746 53.808 52.037 0.043 0.000 0.635 425 A CB -0.477 18.535 19.000 0.020 0.000 0.810 425 A HN 0.512 nan 8.150 nan 0.000 0.445 426 K N -0.176 120.252 120.400 0.048 0.000 2.057 426 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 426 K C 2.174 178.787 176.600 0.022 0.000 1.050 426 K CA 1.547 57.866 56.287 0.054 0.000 0.935 426 K CB -0.126 32.388 32.500 0.024 0.000 0.715 426 K HN 0.516 nan 8.250 nan 0.000 0.439 427 K N 1.106 121.501 120.400 -0.007 0.000 2.025 427 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 427 K C 2.211 178.807 176.600 -0.008 0.000 1.049 427 K CA 1.228 57.497 56.287 -0.030 0.000 0.933 427 K CB -0.143 32.319 32.500 -0.063 0.000 0.714 427 K HN 0.117 nan 8.250 nan 0.000 0.438 428 A N 1.162 123.991 122.820 0.016 0.000 1.865 428 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 428 A C 2.114 179.750 177.584 0.086 0.000 1.191 428 A CA 2.094 54.151 52.037 0.033 0.000 0.623 428 A CB -1.156 17.867 19.000 0.039 0.000 0.826 428 A HN 0.633 nan 8.150 nan 0.000 0.444 429 H N 0.012 119.075 119.070 -0.012 0.000 2.290 429 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 429 H C 1.999 177.321 175.328 -0.010 0.000 1.087 429 H CA 2.356 58.400 56.048 -0.008 0.000 1.291 429 H CB -0.361 29.397 29.762 -0.006 0.000 1.369 429 H HN 0.414 nan 8.280 nan 0.000 0.492 430 K N 0.047 120.359 120.400 -0.147 0.000 2.026 430 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 430 K C 2.158 178.699 176.600 -0.098 0.000 1.048 430 K CA 1.764 57.922 56.287 -0.216 0.000 0.929 430 K CB 0.060 32.467 32.500 -0.156 0.000 0.713 430 K HN 0.247 nan 8.250 nan 0.000 0.439 431 E N -1.459 118.712 120.200 -0.048 0.000 2.371 431 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 431 E C 0.669 177.262 176.600 -0.011 0.000 1.012 431 E CA 0.792 57.173 56.400 -0.031 0.000 0.860 431 E CB 0.566 30.247 29.700 -0.031 0.000 0.811 431 E HN 0.494 nan 8.360 nan 0.000 0.502 432 G N -0.049 108.759 108.800 0.014 0.000 2.136 432 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 432 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 432 G C -0.099 174.812 174.900 0.018 0.000 0.989 432 G CA 0.110 45.228 45.100 0.029 0.000 0.682 432 G HN 0.074 nan 8.290 nan 0.000 0.522 433 L N 0.941 122.169 121.223 0.009 0.000 2.448 433 L HA 0.767 5.107 4.340 -0.000 0.000 0.258 433 L C 1.507 178.378 176.870 0.001 0.000 1.104 433 L CA 0.280 55.116 54.840 -0.007 0.000 0.800 433 L CB 0.729 42.772 42.059 -0.026 0.000 1.241 433 L HN 0.400 nan 8.230 nan 0.000 0.472 434 T N -2.431 112.113 114.554 -0.018 0.000 2.902 434 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 434 T C 1.346 176.033 174.700 -0.023 0.000 0.992 434 T CA -0.680 61.414 62.100 -0.009 0.000 1.015 434 T CB 0.494 69.350 68.868 -0.020 0.000 1.044 434 T HN 0.391 nan 8.240 nan 0.000 0.520 435 L N 0.356 121.598 121.223 0.032 0.000 2.043 435 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 435 L C 2.960 179.753 176.870 -0.128 0.000 1.075 435 L CA 1.702 56.590 54.840 0.080 0.000 0.752 435 L CB -0.479 41.746 42.059 0.276 0.000 0.891 435 L HN 0.824 nan 8.230 nan 0.000 0.432 436 K N -0.146 120.014 120.400 -0.399 0.000 2.025 436 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 436 K C 2.175 178.490 176.600 -0.475 0.000 1.049 436 K CA 1.184 56.890 56.287 -0.969 0.000 0.933 436 K CB -0.107 31.865 32.500 -0.880 0.000 0.714 436 K HN 0.255 nan 8.250 nan 0.000 0.438 437 A N 1.085 123.750 122.820 -0.259 0.000 1.908 437 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 437 A C 2.312 179.812 177.584 -0.138 0.000 1.181 437 A CA 2.090 54.029 52.037 -0.164 0.000 0.627 437 A CB -0.868 18.070 19.000 -0.102 0.000 0.818 437 A HN 0.490 nan 8.150 nan 0.000 0.445 438 A N -0.408 122.340 122.820 -0.121 0.000 1.930 438 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 438 A C 2.488 180.008 177.584 -0.107 0.000 1.175 438 A CA 1.878 53.859 52.037 -0.094 0.000 0.627 438 A CB -0.937 18.028 19.000 -0.058 0.000 0.815 438 A HN 1.044 nan 8.150 nan 0.000 0.443 439 A N -0.144 122.606 122.820 -0.117 0.000 1.902 439 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 439 A C 2.151 179.705 177.584 -0.050 0.000 1.181 439 A CA 1.503 53.511 52.037 -0.048 0.000 0.623 439 A CB -0.538 18.446 19.000 -0.027 0.000 0.818 439 A HN 0.472 nan 8.150 nan 0.000 0.443 440 L N -1.127 120.021 121.223 -0.124 0.000 2.095 440 L HA -0.078 4.262 4.340 -0.000 0.000 0.204 440 L C 3.052 179.889 176.870 -0.055 0.000 1.080 440 L CA 0.918 55.707 54.840 -0.085 0.000 0.759 440 L CB -0.604 41.380 42.059 -0.125 0.000 0.914 440 L HN 0.408 nan 8.230 nan 0.000 0.439 441 A N -0.050 122.726 122.820 -0.074 0.000 1.930 441 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 441 A C 2.112 179.660 177.584 -0.060 0.000 1.175 441 A CA 1.271 53.272 52.037 -0.060 0.000 0.627 441 A CB -0.538 18.422 19.000 -0.067 0.000 0.815 441 A HN 0.302 nan 8.150 nan 0.000 0.443 442 L N -0.540 120.625 121.223 -0.097 0.000 2.610 442 L HA 0.202 4.542 4.340 -0.000 0.000 0.232 442 L C 1.641 178.497 176.870 -0.022 0.000 1.149 442 L CA 1.189 55.929 54.840 -0.167 0.000 0.872 442 L CB -0.614 41.203 42.059 -0.402 0.000 0.992 442 L HN 0.619 nan 8.230 nan 0.000 0.447 443 G N -1.736 107.095 108.800 0.052 0.000 2.212 443 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.267 443 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.267 443 G C 0.740 175.815 174.900 0.292 0.000 1.002 443 G CA 0.729 45.910 45.100 0.135 0.000 0.729 443 G HN 0.358 nan 8.290 nan 0.000 0.517 444 Y N -0.969 119.359 120.300 0.047 0.000 2.561 444 Y HA 0.379 4.929 4.550 -0.000 0.000 0.291 444 Y C 1.543 177.510 175.900 0.112 0.000 1.141 444 Y CA 0.882 59.034 58.100 0.086 0.000 1.303 444 Y CB -0.048 38.477 38.460 0.108 0.000 1.015 444 Y HN 0.714 nan 8.280 nan 0.000 0.547 445 L N -4.486 116.864 121.223 0.212 0.000 3.133 445 L HA 0.570 4.910 4.340 -0.000 0.000 0.289 445 L C -0.394 176.491 176.870 0.025 0.000 1.012 445 L CA -1.664 53.239 54.840 0.105 0.000 1.001 445 L CB 0.965 43.108 42.059 0.140 0.000 1.580 445 L HN -0.298 nan 8.230 nan 0.000 0.373 446 S N -2.045 113.626 115.700 -0.049 0.000 2.664 446 S HA 0.540 5.010 4.470 -0.000 0.000 0.304 446 S C 0.658 175.220 174.600 -0.063 0.000 1.099 446 S CA 0.129 58.292 58.200 -0.062 0.000 1.003 446 S CB 1.786 64.940 63.200 -0.078 0.000 1.092 446 S HN 0.933 nan 8.310 nan 0.000 0.525 447 E N 1.129 121.293 120.200 -0.060 0.000 2.097 447 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 447 E C 2.076 178.665 176.600 -0.019 0.000 1.000 447 E CA 1.502 57.879 56.400 -0.037 0.000 0.804 447 E CB -0.561 29.110 29.700 -0.049 0.000 0.740 447 E HN 0.810 nan 8.360 nan 0.000 0.454 448 A N 1.845 124.621 122.820 -0.074 0.000 1.851 448 A HA -0.297 4.023 4.320 -0.000 0.000 0.216 448 A C 2.054 179.510 177.584 -0.213 0.000 1.195 448 A CA 2.216 54.187 52.037 -0.109 0.000 0.622 448 A CB -0.923 18.012 19.000 -0.108 0.000 0.831 448 A HN 0.609 nan 8.150 nan 0.000 0.444 449 E N -1.705 118.285 120.200 -0.350 0.000 2.150 449 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 449 E C 1.870 177.944 176.600 -0.875 0.000 0.985 449 E CA 1.217 57.148 56.400 -0.782 0.000 0.814 449 E CB -0.496 28.600 29.700 -1.007 0.000 0.752 449 E HN 0.587 nan 8.360 nan 0.000 0.466 450 F N 3.163 122.812 119.950 -0.501 0.000 2.051 450 F HA -0.179 4.348 4.527 -0.000 0.000 0.296 450 F C 1.748 177.471 175.800 -0.128 0.000 1.122 450 F CA 2.156 60.020 58.000 -0.227 0.000 1.201 450 F CB -0.175 38.766 39.000 -0.098 0.000 0.978 450 F HN -0.125 nan 8.300 nan 0.000 0.472 451 D N -0.039 120.403 120.400 0.070 0.000 2.190 451 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 451 D C 2.426 178.674 176.300 -0.087 0.000 0.992 451 D CA 1.750 55.759 54.000 0.015 0.000 0.854 451 D CB -0.677 40.159 40.800 0.061 0.000 0.936 451 D HN 0.445 nan 8.370 nan 0.000 0.462 452 S N -0.817 114.789 115.700 -0.158 0.000 2.461 452 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 452 S C 1.734 176.332 174.600 -0.003 0.000 1.005 452 S CA 0.126 58.258 58.200 -0.114 0.000 0.942 452 S CB -0.295 62.801 63.200 -0.174 0.000 0.776 452 S HN 0.242 nan 8.310 nan 0.000 0.514 453 W N 1.376 122.509 121.300 -0.278 0.000 2.580 453 W HA 0.407 5.067 4.660 -0.000 0.000 0.287 453 W C 1.160 177.534 176.519 -0.241 0.000 1.175 453 W CA -0.818 56.308 57.345 -0.364 0.000 1.409 453 W CB -0.943 28.201 29.460 -0.527 0.000 1.101 453 W HN 0.137 nan 8.180 nan 0.000 0.558 454 V N 5.200 125.032 119.914 -0.135 0.000 2.229 454 V HA 0.207 4.327 4.120 -0.000 0.000 0.245 454 V C 0.035 176.082 176.094 -0.078 0.000 1.243 454 V CA -0.013 62.176 62.300 -0.186 0.000 1.176 454 V CB -0.691 30.854 31.823 -0.464 0.000 1.323 454 V HN -0.124 nan 8.190 nan 0.000 0.499 455 R N 7.999 128.490 120.500 -0.015 0.000 2.522 455 R HA 0.318 4.658 4.340 -0.000 0.000 0.290 455 R C -1.725 174.577 176.300 0.003 0.000 1.216 455 R CA -1.951 54.151 56.100 0.003 0.000 1.250 455 R CB 0.920 31.235 30.300 0.025 0.000 1.143 455 R HN 0.520 nan 8.270 nan 0.000 0.553 456 P HA -0.187 nan 4.420 nan 0.000 0.218 456 P C 0.810 178.113 177.300 0.006 0.000 1.149 456 P CA 1.127 64.229 63.100 0.004 0.000 0.817 456 P CB 0.373 32.077 31.700 0.007 0.000 0.785 457 E N 0.665 120.869 120.200 0.008 0.000 2.515 457 E HA -0.164 4.186 4.350 -0.000 0.000 0.201 457 E C 0.916 177.521 176.600 0.008 0.000 1.071 457 E CA 0.746 57.151 56.400 0.009 0.000 0.880 457 E CB -0.583 29.123 29.700 0.010 0.000 0.828 457 E HN 0.414 nan 8.360 nan 0.000 0.540 458 Q N 0.236 120.041 119.800 0.009 0.000 2.175 458 Q HA 0.323 4.663 4.340 -0.000 0.000 0.225 458 Q C -0.621 175.382 176.000 0.005 0.000 0.837 458 Q CA -0.512 55.297 55.803 0.009 0.000 1.032 458 Q CB 0.154 28.901 28.738 0.016 0.000 1.137 458 Q HN 0.019 nan 8.270 nan 0.000 0.483 459 M N 0.000 119.602 119.600 0.003 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.300 55.300 0.000 0.000 0.988 459 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411