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 3pzf_1_A DATA FIRST_RESID 27 DATA SEQUENCE GPFQGQRQNE FDLMFVKEIF KNHNSNVVLS PFSVKILLTL IYEASDTSFG DATA SEQUENCE XAVSNTKREL SSVIQNDNID HTRSYYKQLL ESAQQDNKDY DLNIATNFFV DATA SEQUENCE DDFIEVINKY QQIANTHYHA MLEKVSYSNP TQTAATINNW VSEHTNGRLR DATA SEQUENCE EIVTPDSLEG AVITLVNVIY FKGLWTYPFP EVANNVKPFY GTRGKPTNAQ DATA SEQUENCE YMEQNGQFYY DNSADLGAQI LRLPYRGNKL AMYFILPNPD NTVNQVLDRI DATA SEQUENCE NSASLHQALW YMEENEVNVT LPKFKFDFSE QLNEPLQQVG IREIFSQNAS DATA SEQUENCE LPLLARGXXX XXEVRVSRIF QKAGITINEL GSEAYAATEI XXXXXXXXDG DATA SEQUENCE VQIFNANRPF IFFIEDETLG TMLFAGKIEN PVF 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 27 G C 0.000 174.885 174.900 -0.026 0.000 0.946 27 G CA 0.000 45.108 45.100 0.013 0.000 0.502 28 P HA 0.318 nan 4.420 nan 0.000 0.268 28 P C -0.330 177.043 177.300 0.121 0.000 1.208 28 P CA -0.366 62.712 63.100 -0.037 0.000 0.777 28 P CB 0.356 31.922 31.700 -0.223 0.000 0.875 29 F N 1.949 121.947 119.950 0.080 0.000 2.578 29 F HA -0.004 4.524 4.527 0.001 0.000 0.376 29 F C 1.249 177.138 175.800 0.149 0.000 1.085 29 F CA 0.580 58.645 58.000 0.109 0.000 1.260 29 F CB 0.399 39.475 39.000 0.127 0.000 1.095 29 F HN 0.322 nan 8.300 nan 0.000 0.573 30 Q N 4.017 123.539 119.800 -0.462 0.000 2.282 30 Q HA 0.220 4.560 4.340 -0.000 0.000 0.206 30 Q C 0.959 176.747 176.000 -0.353 0.000 0.878 30 Q CA 0.151 55.830 55.803 -0.206 0.000 0.944 30 Q CB 0.755 29.470 28.738 -0.039 0.000 1.100 30 Q HN 0.877 nan 8.270 nan 0.000 0.509 31 G N 0.571 108.612 108.800 -1.265 0.000 2.606 31 G HA2 0.291 4.251 3.960 -0.000 0.000 0.262 31 G HA3 0.291 4.251 3.960 -0.000 0.000 0.262 31 G C -0.684 174.120 174.900 -0.160 0.000 1.394 31 G CA -0.415 44.258 45.100 -0.712 0.000 1.044 31 G HN 0.017 nan 8.290 nan 0.000 0.553 32 Q N 0.013 119.883 119.800 0.116 0.000 2.325 32 Q HA 0.312 4.651 4.340 -0.000 0.000 0.262 32 Q C -0.304 175.911 176.000 0.358 0.000 0.968 32 Q CA -0.332 55.559 55.803 0.146 0.000 0.877 32 Q CB 1.953 30.632 28.738 -0.098 0.000 1.253 32 Q HN 0.358 nan 8.270 nan 0.000 0.448 33 R N 1.744 122.479 120.500 0.392 0.000 2.537 33 R HA 0.005 4.345 4.340 -0.000 0.000 0.280 33 R C -0.085 176.285 176.300 0.116 0.000 1.058 33 R CA 0.279 56.513 56.100 0.224 0.000 1.057 33 R CB 0.438 30.824 30.300 0.143 0.000 0.973 33 R HN 0.484 nan 8.270 nan 0.000 0.438 34 Q N 3.008 122.869 119.800 0.102 0.000 3.181 34 Q HA 0.019 4.359 4.340 -0.000 0.000 0.293 34 Q C -0.023 176.034 176.000 0.094 0.000 1.406 34 Q CA -0.144 55.709 55.803 0.084 0.000 1.026 34 Q CB 0.119 28.913 28.738 0.094 0.000 1.630 34 Q HN 0.511 nan 8.270 nan 0.000 0.553 35 N N -0.896 117.839 118.700 0.060 0.000 2.235 35 N HA 0.002 4.742 4.740 -0.000 0.000 0.231 35 N C 0.327 175.854 175.510 0.028 0.000 1.177 35 N CA -0.057 53.020 53.050 0.044 0.000 0.874 35 N CB 0.568 39.038 38.487 -0.028 0.000 1.097 35 N HN 0.105 nan 8.380 nan 0.000 0.518 36 E N 0.551 120.780 120.200 0.049 0.000 2.038 36 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 36 E C 1.164 177.793 176.600 0.048 0.000 1.000 36 E CA 1.336 57.757 56.400 0.034 0.000 0.803 36 E CB -0.405 29.321 29.700 0.043 0.000 0.750 36 E HN 0.400 nan 8.360 nan 0.000 0.448 37 F N 1.783 121.730 119.950 -0.005 0.000 2.102 37 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 37 F C 1.298 177.111 175.800 0.022 0.000 1.105 37 F CA 1.822 59.824 58.000 0.003 0.000 1.239 37 F CB -0.291 38.699 39.000 -0.018 0.000 0.991 37 F HN -0.078 nan 8.300 nan 0.000 0.474 38 D N 0.950 121.371 120.400 0.035 0.000 2.106 38 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 38 D C 2.360 178.547 176.300 -0.188 0.000 0.997 38 D CA 2.225 56.197 54.000 -0.048 0.000 0.834 38 D CB -0.638 40.185 40.800 0.039 0.000 0.956 38 D HN 0.332 nan 8.370 nan 0.000 0.448 39 L N -0.073 121.046 121.223 -0.172 0.000 2.046 39 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 39 L C 2.489 179.220 176.870 -0.231 0.000 1.077 39 L CA 0.814 55.531 54.840 -0.206 0.000 0.747 39 L CB -0.411 41.554 42.059 -0.156 0.000 0.896 39 L HN 0.144 nan 8.230 nan 0.000 0.432 40 M N -0.708 118.759 119.600 -0.222 0.000 2.080 40 M HA -0.293 4.187 4.480 -0.000 0.000 0.260 40 M C 2.305 178.446 176.300 -0.265 0.000 1.068 40 M CA 2.083 57.253 55.300 -0.217 0.000 1.109 40 M CB -0.163 32.330 32.600 -0.179 0.000 1.342 40 M HN 0.178 nan 8.290 nan 0.000 0.405 41 F N 0.100 119.698 119.950 -0.587 0.000 2.206 41 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 41 F C 1.906 177.478 175.800 -0.382 0.000 1.090 41 F CA 1.206 58.893 58.000 -0.522 0.000 1.323 41 F CB -0.436 38.109 39.000 -0.760 0.000 1.028 41 F HN -0.104 nan 8.300 nan 0.000 0.492 42 V N 0.850 120.540 119.914 -0.372 0.000 2.287 42 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 42 V C 2.408 178.016 176.094 -0.810 0.000 1.053 42 V CA 2.199 64.097 62.300 -0.669 0.000 1.027 42 V CB -0.586 30.826 31.823 -0.684 0.000 0.646 42 V HN 0.273 nan 8.190 nan 0.000 0.447 43 K N -0.417 119.674 120.400 -0.515 0.000 2.097 43 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 43 K C 2.165 178.625 176.600 -0.234 0.000 1.049 43 K CA 1.611 57.699 56.287 -0.331 0.000 0.933 43 K CB -0.152 32.230 32.500 -0.198 0.000 0.717 43 K HN 0.434 nan 8.250 nan 0.000 0.442 44 E N 1.415 121.444 120.200 -0.285 0.000 2.077 44 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 44 E C 1.783 178.266 176.600 -0.196 0.000 0.989 44 E CA 1.136 57.397 56.400 -0.232 0.000 0.800 44 E CB -0.019 29.505 29.700 -0.293 0.000 0.746 44 E HN 0.077 nan 8.360 nan 0.000 0.452 45 I N 0.339 120.721 120.570 -0.314 0.000 2.202 45 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 45 I C 2.079 178.312 176.117 0.193 0.000 1.091 45 I CA 1.099 62.345 61.300 -0.091 0.000 1.368 45 I CB -1.358 36.518 38.000 -0.207 0.000 1.058 45 I HN 0.124 nan 8.210 nan 0.000 0.410 46 F N 1.893 121.771 119.950 -0.120 0.000 2.134 46 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 46 F C 2.683 178.463 175.800 -0.032 0.000 1.097 46 F CA 0.925 58.870 58.000 -0.092 0.000 1.264 46 F CB -1.598 37.335 39.000 -0.112 0.000 1.001 46 F HN 0.035 nan 8.300 nan 0.000 0.479 47 K N -0.267 120.225 120.400 0.153 0.000 2.360 47 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 47 K C 1.390 178.014 176.600 0.040 0.000 1.046 47 K CA 0.781 57.109 56.287 0.069 0.000 0.945 47 K CB -0.624 31.889 32.500 0.021 0.000 0.750 47 K HN 0.408 nan 8.250 nan 0.000 0.464 48 N N -0.021 118.717 118.700 0.063 0.000 2.205 48 N HA 0.061 4.801 4.740 -0.000 0.000 0.201 48 N C -0.745 174.646 175.510 -0.197 0.000 1.128 48 N CA 0.174 53.198 53.050 -0.044 0.000 0.867 48 N CB 0.459 38.912 38.487 -0.057 0.000 0.996 48 N HN 0.403 nan 8.380 nan 0.000 0.503 49 H N -0.240 118.853 119.070 0.038 0.000 2.744 49 H HA 0.325 4.881 4.556 -0.001 0.000 0.339 49 H C -0.407 174.906 175.328 -0.025 0.000 1.004 49 H CA -0.581 55.492 56.048 0.041 0.000 1.257 49 H CB 0.828 30.645 29.762 0.090 0.000 1.552 49 H HN -0.115 nan 8.280 nan 0.000 0.522 50 N N 2.033 120.767 118.700 0.056 0.000 2.758 50 N HA 0.093 4.833 4.740 -0.000 0.000 0.293 50 N C -0.668 174.830 175.510 -0.019 0.000 1.273 50 N CA -0.140 52.911 53.050 0.002 0.000 1.022 50 N CB 0.368 38.853 38.487 -0.003 0.000 1.334 50 N HN 0.627 nan 8.380 nan 0.000 0.519 51 S N -1.187 114.488 115.700 -0.042 0.000 2.671 51 S HA 0.435 4.905 4.470 -0.000 0.000 0.277 51 S C -0.481 173.965 174.600 -0.255 0.000 1.165 51 S CA -1.041 57.103 58.200 -0.094 0.000 0.822 51 S CB 1.337 64.554 63.200 0.029 0.000 1.150 51 S HN -0.022 nan 8.310 nan 0.000 0.479 52 N N 0.069 118.522 118.700 -0.412 0.000 2.395 52 N HA 0.411 5.151 4.740 -0.000 0.000 0.246 52 N C -0.841 174.343 175.510 -0.543 0.000 1.246 52 N CA 0.024 52.644 53.050 -0.716 0.000 0.879 52 N CB 0.471 38.068 38.487 -1.484 0.000 1.098 52 N HN 0.544 nan 8.380 nan 0.000 0.444 53 V N 1.038 120.644 119.914 -0.513 0.000 2.841 53 V HA 0.544 4.664 4.120 -0.000 0.000 0.310 53 V C -0.488 175.579 176.094 -0.046 0.000 1.090 53 V CA -0.819 61.090 62.300 -0.652 0.000 0.930 53 V CB 2.424 33.722 31.823 -0.875 0.000 1.014 53 V HN 0.371 nan 8.190 nan 0.000 0.425 54 V N 6.263 126.225 119.914 0.080 0.000 2.777 54 V HA 0.808 4.928 4.120 -0.000 0.000 0.306 54 V C -1.277 174.985 176.094 0.280 0.000 1.112 54 V CA -0.257 62.202 62.300 0.264 0.000 0.917 54 V CB 1.840 33.876 31.823 0.354 0.000 1.018 54 V HN 0.909 nan 8.190 nan 0.000 0.426 55 L N 3.255 124.626 121.223 0.246 0.000 2.510 55 L HA 0.872 5.212 4.340 -0.000 0.000 0.252 55 L C -0.756 176.174 176.870 0.100 0.000 1.091 55 L CA -0.599 54.374 54.840 0.223 0.000 0.888 55 L CB 2.008 44.219 42.059 0.253 0.000 1.507 55 L HN 0.541 nan 8.230 nan 0.000 0.407 56 S N -0.123 115.601 115.700 0.041 0.000 2.622 56 S HA 0.569 5.039 4.470 -0.000 0.000 0.283 56 S C -2.096 172.545 174.600 0.068 0.000 1.197 56 S CA -1.360 56.810 58.200 -0.049 0.000 1.146 56 S CB 0.922 64.007 63.200 -0.190 0.000 1.007 56 S HN 0.598 nan 8.310 nan 0.000 0.478 57 P HA -0.044 nan 4.420 nan 0.000 0.217 57 P C 1.215 178.616 177.300 0.169 0.000 1.150 57 P CA 0.542 63.735 63.100 0.155 0.000 0.832 57 P CB -0.027 31.751 31.700 0.130 0.000 0.787 58 F N 0.857 120.836 119.950 0.049 0.000 2.126 58 F HA -0.181 4.346 4.527 0.000 0.000 0.299 58 F C 2.033 177.847 175.800 0.023 0.000 1.096 58 F CA 1.626 59.663 58.000 0.062 0.000 1.255 58 F CB -0.904 38.125 39.000 0.047 0.000 0.997 58 F HN -0.169 nan 8.300 nan 0.000 0.479 59 S N -0.117 115.503 115.700 -0.133 0.000 2.399 59 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 59 S C 2.195 176.638 174.600 -0.262 0.000 1.022 59 S CA 1.176 59.227 58.200 -0.247 0.000 0.983 59 S CB -0.545 62.612 63.200 -0.071 0.000 0.803 59 S HN 0.276 nan 8.310 nan 0.000 0.480 60 V N 2.155 121.965 119.914 -0.174 0.000 2.407 60 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 60 V C 2.226 178.111 176.094 -0.349 0.000 1.055 60 V CA 1.573 63.740 62.300 -0.221 0.000 1.049 60 V CB -0.533 31.143 31.823 -0.245 0.000 0.662 60 V HN 0.466 nan 8.190 nan 0.000 0.455 61 K N -0.338 119.838 120.400 -0.373 0.000 2.097 61 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 61 K C 2.091 178.286 176.600 -0.676 0.000 1.050 61 K CA 1.132 57.108 56.287 -0.518 0.000 0.938 61 K CB -0.255 32.067 32.500 -0.297 0.000 0.718 61 K HN 0.305 nan 8.250 nan 0.000 0.442 62 I N 1.769 121.903 120.570 -0.727 0.000 2.208 62 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 62 I C 2.287 178.106 176.117 -0.497 0.000 1.097 62 I CA 1.506 62.404 61.300 -0.670 0.000 1.363 62 I CB -1.073 36.634 38.000 -0.490 0.000 1.051 62 I HN 0.172 nan 8.210 nan 0.000 0.413 63 L N -0.129 120.861 121.223 -0.388 0.000 2.017 63 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 63 L C 2.642 179.335 176.870 -0.295 0.000 1.073 63 L CA 1.267 55.921 54.840 -0.310 0.000 0.745 63 L CB -0.685 41.226 42.059 -0.247 0.000 0.894 63 L HN 0.205 nan 8.230 nan 0.000 0.432 64 L N -0.752 120.263 121.223 -0.346 0.000 2.083 64 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 64 L C 2.589 179.283 176.870 -0.294 0.000 1.083 64 L CA 1.394 56.042 54.840 -0.320 0.000 0.752 64 L CB -0.851 40.953 42.059 -0.425 0.000 0.899 64 L HN 0.280 nan 8.230 nan 0.000 0.433 65 T N 0.042 114.342 114.554 -0.424 0.000 2.857 65 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 65 T C 1.990 176.462 174.700 -0.380 0.000 1.048 65 T CA 0.898 62.755 62.100 -0.405 0.000 1.139 65 T CB -0.138 68.358 68.868 -0.621 0.000 0.874 65 T HN 0.169 nan 8.240 nan 0.000 0.455 66 L N 0.319 121.278 121.223 -0.440 0.000 2.083 66 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 66 L C 2.353 179.273 176.870 0.084 0.000 1.083 66 L CA 1.179 55.897 54.840 -0.203 0.000 0.752 66 L CB -0.492 41.565 42.059 -0.003 0.000 0.899 66 L HN 0.269 nan 8.230 nan 0.000 0.433 67 I N -1.779 118.812 120.570 0.035 0.000 2.315 67 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 67 I C 2.483 178.599 176.117 -0.000 0.000 1.117 67 I CA 1.150 62.469 61.300 0.031 0.000 1.404 67 I CB -0.305 37.669 38.000 -0.044 0.000 1.071 67 I HN 0.182 nan 8.210 nan 0.000 0.419 68 Y N 2.100 122.321 120.300 -0.132 0.000 2.128 68 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 68 Y C 2.556 178.422 175.900 -0.057 0.000 1.154 68 Y CA 1.743 59.777 58.100 -0.110 0.000 1.149 68 Y CB -0.143 38.237 38.460 -0.133 0.000 0.976 68 Y HN 0.130 nan 8.280 nan 0.000 0.505 69 E N -0.249 119.966 120.200 0.025 0.000 2.153 69 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 69 E C 2.225 178.873 176.600 0.081 0.000 0.988 69 E CA 1.065 57.491 56.400 0.044 0.000 0.811 69 E CB -0.357 29.401 29.700 0.097 0.000 0.746 69 E HN 0.573 nan 8.360 nan 0.000 0.466 70 A N 1.010 123.850 122.820 0.033 0.000 2.123 70 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 70 A C 1.558 179.015 177.584 -0.212 0.000 1.152 70 A CA 0.261 52.167 52.037 -0.217 0.000 0.728 70 A CB 0.094 18.828 19.000 -0.442 0.000 0.814 70 A HN 0.116 nan 8.150 nan 0.000 0.464 71 S N -0.519 115.066 115.700 -0.191 0.000 2.562 71 S HA 0.227 4.697 4.470 -0.000 0.000 0.275 71 S C 0.807 175.296 174.600 -0.186 0.000 1.281 71 S CA -0.212 57.872 58.200 -0.193 0.000 1.045 71 S CB 0.942 64.023 63.200 -0.199 0.000 0.962 71 S HN 0.354 nan 8.310 nan 0.000 0.503 72 D N 2.857 123.174 120.400 -0.137 0.000 2.149 72 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 72 D C 1.859 178.103 176.300 -0.094 0.000 0.990 72 D CA 1.817 55.758 54.000 -0.099 0.000 0.839 72 D CB -0.360 40.391 40.800 -0.081 0.000 0.948 72 D HN 0.682 nan 8.370 nan 0.000 0.460 73 T N -0.957 113.526 114.554 -0.119 0.000 2.760 73 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 73 T C 1.763 176.380 174.700 -0.137 0.000 1.047 73 T CA 2.273 64.313 62.100 -0.100 0.000 1.139 73 T CB -0.478 68.331 68.868 -0.097 0.000 0.855 73 T HN 0.302 nan 8.240 nan 0.000 0.471 74 S N -0.272 115.229 115.700 -0.332 0.000 2.595 74 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 74 S C 0.522 175.024 174.600 -0.164 0.000 0.974 74 S CA -0.283 57.577 58.200 -0.568 0.000 0.942 74 S CB -0.828 61.783 63.200 -0.981 0.000 0.766 74 S HN 0.491 nan 8.310 nan 0.000 0.536 75 F N 3.277 123.146 119.950 -0.136 0.000 2.471 75 F HA 0.518 5.045 4.527 -0.000 0.000 0.353 75 F C 1.290 177.081 175.800 -0.017 0.000 1.113 75 F CA -0.333 57.632 58.000 -0.058 0.000 1.262 75 F CB 0.041 39.011 39.000 -0.050 0.000 1.146 75 F HN 0.216 nan 8.300 nan 0.000 0.578 79 V N 0.233 120.169 119.914 0.038 0.000 3.147 79 V HA 0.986 5.106 4.120 -0.000 0.000 0.306 79 V C -0.003 176.100 176.094 0.015 0.000 1.209 79 V CA -0.032 62.287 62.300 0.031 0.000 1.023 79 V CB 1.917 33.755 31.823 0.026 0.000 1.059 79 V HN 2.339 nan 8.190 nan 0.000 0.435 80 S N 0.503 116.213 115.700 0.016 0.000 2.688 80 S HA 0.309 4.779 4.470 -0.000 0.000 0.269 80 S C -0.200 174.406 174.600 0.010 0.000 1.060 80 S CA -0.456 57.747 58.200 0.005 0.000 0.844 80 S CB 1.362 64.556 63.200 -0.011 0.000 1.095 80 S HN 0.495 nan 8.310 nan 0.000 0.466 81 N N 0.789 119.491 118.700 0.003 0.000 2.381 81 N HA 0.041 4.781 4.740 -0.000 0.000 0.182 81 N C 1.483 176.995 175.510 0.003 0.000 1.025 81 N CA 1.780 54.833 53.050 0.005 0.000 0.888 81 N CB -0.644 37.844 38.487 0.002 0.000 0.965 81 N HN 0.696 nan 8.380 nan 0.000 0.438 82 T N 0.449 115.000 114.554 -0.006 0.000 2.668 82 T HA -0.122 4.228 4.350 -0.000 0.000 0.262 82 T C 1.837 176.571 174.700 0.057 0.000 1.045 82 T CA 1.136 63.231 62.100 -0.008 0.000 1.152 82 T CB -0.086 68.758 68.868 -0.040 0.000 0.864 82 T HN 0.276 nan 8.240 nan 0.000 0.419 83 K N 1.045 121.496 120.400 0.085 0.000 2.044 83 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 83 K C 2.683 179.369 176.600 0.143 0.000 1.049 83 K CA 1.873 58.294 56.287 0.225 0.000 0.927 83 K CB -0.210 32.383 32.500 0.156 0.000 0.713 83 K HN 0.255 nan 8.250 nan 0.000 0.443 84 R N 1.304 121.843 120.500 0.065 0.000 2.073 84 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 84 R C 2.055 178.359 176.300 0.007 0.000 1.134 84 R CA 2.039 58.157 56.100 0.029 0.000 0.952 84 R CB -1.253 29.060 30.300 0.021 0.000 0.850 84 R HN 0.572 nan 8.270 nan 0.000 0.433 85 E N 0.418 120.622 120.200 0.006 0.000 2.107 85 E HA 0.081 4.431 4.350 -0.000 0.000 0.191 85 E C 1.645 178.219 176.600 -0.044 0.000 0.982 85 E CA 0.742 57.139 56.400 -0.006 0.000 0.809 85 E CB 0.017 29.718 29.700 0.002 0.000 0.756 85 E HN 0.479 nan 8.360 nan 0.000 0.459 86 L N 1.759 122.944 121.223 -0.064 0.000 2.762 86 L HA -0.023 4.317 4.340 -0.000 0.000 0.250 86 L C 2.168 178.889 176.870 -0.248 0.000 1.160 86 L CA -0.067 54.676 54.840 -0.163 0.000 0.951 86 L CB -0.603 41.386 42.059 -0.115 0.000 1.148 86 L HN 0.167 nan 8.230 nan 0.000 0.424 87 S N -0.516 115.089 115.700 -0.158 0.000 2.345 87 S HA -0.183 4.287 4.470 -0.000 0.000 0.220 87 S C 2.052 176.557 174.600 -0.159 0.000 1.031 87 S CA 1.098 59.205 58.200 -0.154 0.000 0.996 87 S CB -0.549 62.606 63.200 -0.075 0.000 0.882 87 S HN 0.533 nan 8.310 nan 0.000 0.445 88 S N 0.304 115.939 115.700 -0.107 0.000 2.653 88 S HA 0.169 4.639 4.470 -0.000 0.000 0.233 88 S C 1.264 175.801 174.600 -0.105 0.000 0.970 88 S CA 0.389 58.550 58.200 -0.065 0.000 0.947 88 S CB -0.132 63.086 63.200 0.031 0.000 0.771 88 S HN 0.370 nan 8.310 nan 0.000 0.538 89 V N 0.438 120.228 119.914 -0.206 0.000 3.570 89 V HA 0.342 4.462 4.120 -0.000 0.000 0.257 89 V C 0.395 176.416 176.094 -0.121 0.000 1.272 89 V CA 0.088 62.263 62.300 -0.208 0.000 1.079 89 V CB 0.165 31.727 31.823 -0.435 0.000 0.829 89 V HN 0.437 nan 8.190 nan 0.000 0.454 90 I N 0.958 121.380 120.570 -0.247 0.000 2.499 90 I HA 0.359 4.529 4.170 -0.000 0.000 0.296 90 I C 0.183 176.157 176.117 -0.237 0.000 0.992 90 I CA -0.435 60.699 61.300 -0.276 0.000 1.297 90 I CB 1.075 38.735 38.000 -0.567 0.000 1.410 90 I HN 0.168 nan 8.210 nan 0.000 0.507 91 Q N 3.239 122.888 119.800 -0.253 0.000 2.349 91 Q HA 0.209 4.549 4.340 -0.000 0.000 0.254 91 Q C 0.766 176.668 176.000 -0.164 0.000 0.980 91 Q CA 0.190 55.779 55.803 -0.356 0.000 0.924 91 Q CB 0.129 28.426 28.738 -0.735 0.000 1.209 91 Q HN 0.781 nan 8.270 nan 0.000 0.445 92 N N 0.868 119.503 118.700 -0.109 0.000 2.686 92 N HA -0.303 4.436 4.740 -0.000 0.000 0.249 92 N C 0.551 176.046 175.510 -0.026 0.000 1.082 92 N CA 1.884 54.914 53.050 -0.034 0.000 0.725 92 N CB -2.468 36.043 38.487 0.040 0.000 1.009 92 N HN 0.962 nan 8.380 nan 0.000 0.545 93 D N -1.745 118.622 120.400 -0.056 0.000 2.706 93 D HA -0.158 4.482 4.640 -0.000 0.000 0.230 93 D C -0.070 176.235 176.300 0.009 0.000 1.184 93 D CA 1.116 55.107 54.000 -0.016 0.000 0.628 93 D CB -1.685 39.118 40.800 0.005 0.000 1.019 93 D HN 1.453 nan 8.370 nan 0.000 0.415 94 N N -0.470 118.239 118.700 0.015 0.000 2.461 94 N HA 0.454 5.194 4.740 -0.000 0.000 0.284 94 N C 0.448 175.985 175.510 0.045 0.000 1.049 94 N CA -0.686 52.374 53.050 0.016 0.000 0.889 94 N CB 1.687 40.193 38.487 0.032 0.000 1.365 94 N HN 0.180 nan 8.380 nan 0.000 0.499 95 I N 3.259 123.841 120.570 0.020 0.000 2.439 95 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 95 I C 1.759 177.892 176.117 0.026 0.000 1.139 95 I CA 1.100 62.429 61.300 0.049 0.000 1.438 95 I CB -0.105 37.906 38.000 0.017 0.000 1.085 95 I HN 0.684 nan 8.210 nan 0.000 0.427 96 D N -0.940 119.468 120.400 0.012 0.000 2.117 96 D HA -0.312 4.328 4.640 -0.000 0.000 0.197 96 D C 2.288 178.640 176.300 0.088 0.000 0.987 96 D CA 1.441 55.449 54.000 0.012 0.000 0.829 96 D CB -0.099 40.708 40.800 0.011 0.000 0.961 96 D HN 0.430 nan 8.370 nan 0.000 0.460 97 H N -0.557 118.506 119.070 -0.012 0.000 2.389 97 H HA 0.004 4.560 4.556 0.000 0.000 0.299 97 H C 1.833 177.183 175.328 0.038 0.000 1.081 97 H CA 1.862 57.911 56.048 0.002 0.000 1.345 97 H CB -0.483 29.260 29.762 -0.032 0.000 1.393 97 H HN 0.094 nan 8.280 nan 0.000 0.520 98 T N 0.511 115.102 114.554 0.062 0.000 2.737 98 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 98 T C 2.185 177.014 174.700 0.216 0.000 1.038 98 T CA 1.370 63.519 62.100 0.083 0.000 1.144 98 T CB 0.038 68.998 68.868 0.154 0.000 0.866 98 T HN 0.336 nan 8.240 nan 0.000 0.434 99 R N 1.334 121.882 120.500 0.080 0.000 2.080 99 R HA -0.094 4.246 4.340 -0.000 0.000 0.236 99 R C 2.994 179.304 176.300 0.016 0.000 1.137 99 R CA 1.845 57.864 56.100 -0.135 0.000 0.943 99 R CB -0.474 29.464 30.300 -0.604 0.000 0.846 99 R HN 0.486 nan 8.270 nan 0.000 0.431 100 S N -0.178 115.578 115.700 0.094 0.000 2.402 100 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 100 S C 1.892 176.578 174.600 0.144 0.000 1.021 100 S CA 0.895 59.180 58.200 0.141 0.000 0.974 100 S CB -0.561 62.734 63.200 0.157 0.000 0.800 100 S HN 0.397 nan 8.310 nan 0.000 0.484 101 Y N 1.631 121.928 120.300 -0.005 0.000 2.089 101 Y HA -0.127 4.423 4.550 -0.000 0.000 0.282 101 Y C 2.154 177.986 175.900 -0.112 0.000 1.139 101 Y CA 1.490 59.507 58.100 -0.138 0.000 1.123 101 Y CB -0.849 37.349 38.460 -0.438 0.000 0.980 101 Y HN 0.193 nan 8.280 nan 0.000 0.493 102 Y N 0.643 121.023 120.300 0.133 0.000 2.293 102 Y HA -0.172 4.379 4.550 0.001 0.000 0.291 102 Y C 2.613 178.567 175.900 0.090 0.000 1.137 102 Y CA 1.826 60.005 58.100 0.131 0.000 1.202 102 Y CB -0.544 38.087 38.460 0.284 0.000 0.990 102 Y HN 0.136 nan 8.280 nan 0.000 0.537 103 K N 0.462 120.946 120.400 0.140 0.000 2.057 103 K HA -0.270 4.050 4.320 -0.000 0.000 0.206 103 K C 2.250 178.915 176.600 0.108 0.000 1.050 103 K CA 1.624 57.979 56.287 0.113 0.000 0.935 103 K CB -0.146 32.389 32.500 0.059 0.000 0.715 103 K HN 0.401 nan 8.250 nan 0.000 0.439 104 Q N 0.292 120.110 119.800 0.030 0.000 2.050 104 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 104 Q C 1.984 177.949 176.000 -0.058 0.000 0.980 104 Q CA 1.343 57.138 55.803 -0.013 0.000 0.840 104 Q CB -0.006 28.706 28.738 -0.043 0.000 0.898 104 Q HN 0.225 nan 8.270 nan 0.000 0.424 105 L N 0.536 121.672 121.223 -0.145 0.000 2.083 105 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 105 L C 2.267 179.088 176.870 -0.083 0.000 1.083 105 L CA 1.345 56.049 54.840 -0.227 0.000 0.752 105 L CB -0.612 41.196 42.059 -0.419 0.000 0.899 105 L HN 0.290 nan 8.230 nan 0.000 0.433 106 L N -1.023 120.305 121.223 0.175 0.000 2.046 106 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 106 L C 2.455 179.375 176.870 0.082 0.000 1.077 106 L CA 1.313 56.301 54.840 0.247 0.000 0.747 106 L CB -0.352 41.940 42.059 0.389 0.000 0.896 106 L HN 0.338 nan 8.230 nan 0.000 0.432 107 E N -1.189 119.048 120.200 0.062 0.000 2.152 107 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 107 E C 2.281 178.883 176.600 0.003 0.000 0.983 107 E CA 1.101 57.505 56.400 0.008 0.000 0.818 107 E CB 0.027 29.754 29.700 0.044 0.000 0.758 107 E HN 0.291 nan 8.360 nan 0.000 0.467 108 S N 0.473 116.169 115.700 -0.007 0.000 2.368 108 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 108 S C 2.060 176.677 174.600 0.028 0.000 1.029 108 S CA 1.082 59.280 58.200 -0.004 0.000 0.988 108 S CB -0.030 63.141 63.200 -0.048 0.000 0.838 108 S HN 0.310 nan 8.310 nan 0.000 0.462 109 A N 0.608 123.427 122.820 -0.002 0.000 1.897 109 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 109 A C 2.028 179.711 177.584 0.165 0.000 1.181 109 A CA 1.153 53.214 52.037 0.040 0.000 0.620 109 A CB -0.481 18.494 19.000 -0.041 0.000 0.821 109 A HN 0.682 nan 8.150 nan 0.000 0.443 110 Q N -0.493 119.365 119.800 0.097 0.000 2.319 110 Q HA 0.174 4.514 4.340 -0.000 0.000 0.202 110 Q C 0.778 176.785 176.000 0.011 0.000 0.896 110 Q CA 0.296 56.151 55.803 0.087 0.000 0.942 110 Q CB -0.109 28.642 28.738 0.020 0.000 1.083 110 Q HN 0.755 nan 8.270 nan 0.000 0.510 111 Q N 1.699 121.502 119.800 0.005 0.000 2.308 111 Q HA -0.071 4.269 4.340 -0.000 0.000 0.313 111 Q C -0.401 175.521 176.000 -0.131 0.000 1.075 111 Q CA 0.521 56.293 55.803 -0.051 0.000 0.995 111 Q CB -0.292 28.431 28.738 -0.025 0.000 1.107 111 Q HN 0.159 nan 8.270 nan 0.000 0.380 112 D N 2.003 122.339 120.400 -0.106 0.000 2.417 112 D HA 0.361 5.001 4.640 -0.000 0.000 0.250 112 D C 0.204 176.411 176.300 -0.155 0.000 1.166 112 D CA 0.794 54.719 54.000 -0.125 0.000 0.881 112 D CB 0.393 41.147 40.800 -0.076 0.000 1.164 112 D HN 0.874 nan 8.370 nan 0.000 0.467 113 N N -1.779 116.791 118.700 -0.217 0.000 3.046 113 N HA 0.390 5.130 4.740 -0.000 0.000 0.243 113 N C 0.121 175.521 175.510 -0.183 0.000 1.452 113 N CA -0.933 51.996 53.050 -0.201 0.000 0.882 113 N CB 0.775 39.103 38.487 -0.265 0.000 1.425 113 N HN 0.042 nan 8.380 nan 0.000 0.517 114 K N -0.759 119.573 120.400 -0.115 0.000 2.365 114 K HA 0.051 4.371 4.320 -0.000 0.000 0.197 114 K C 0.825 177.387 176.600 -0.062 0.000 1.042 114 K CA 1.482 57.724 56.287 -0.074 0.000 0.987 114 K CB -0.764 31.711 32.500 -0.042 0.000 0.779 114 K HN 0.644 nan 8.250 nan 0.000 0.484 115 D N -1.300 119.061 120.400 -0.065 0.000 2.216 115 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 115 D C 0.372 176.728 176.300 0.093 0.000 0.960 115 D CA 1.026 55.045 54.000 0.032 0.000 0.861 115 D CB 0.250 41.123 40.800 0.122 0.000 0.985 115 D HN 0.671 nan 8.370 nan 0.000 0.493 116 Y N -1.288 118.998 120.300 -0.023 0.000 2.655 116 Y HA 0.593 5.142 4.550 -0.000 0.000 0.336 116 Y C -1.745 174.142 175.900 -0.021 0.000 1.154 116 Y CA -1.408 56.656 58.100 -0.061 0.000 1.055 116 Y CB 1.230 39.702 38.460 0.020 0.000 1.295 116 Y HN -0.403 nan 8.280 nan 0.000 0.465 117 D N 1.764 122.248 120.400 0.141 0.000 2.542 117 D HA 0.419 5.059 4.640 -0.000 0.000 0.252 117 D C -1.983 174.512 176.300 0.325 0.000 1.222 117 D CA -0.104 53.971 54.000 0.126 0.000 0.895 117 D CB 1.784 42.655 40.800 0.117 0.000 1.207 117 D HN 0.821 nan 8.370 nan 0.000 0.558 118 L N 3.848 125.310 121.223 0.397 0.000 2.381 118 L HA 0.583 4.923 4.340 -0.000 0.000 0.274 118 L C -1.388 175.666 176.870 0.307 0.000 0.988 118 L CA -0.659 54.442 54.840 0.436 0.000 0.824 118 L CB 1.617 43.971 42.059 0.492 0.000 1.263 118 L HN 0.217 nan 8.230 nan 0.000 0.410 119 N N 4.568 123.466 118.700 0.331 0.000 2.352 119 N HA 0.535 5.275 4.740 -0.000 0.000 0.291 119 N C -1.553 174.082 175.510 0.208 0.000 1.040 119 N CA -0.348 52.843 53.050 0.235 0.000 0.864 119 N CB 1.779 40.392 38.487 0.210 0.000 1.440 119 N HN 0.506 nan 8.380 nan 0.000 0.483 120 I N 2.102 122.768 120.570 0.159 0.000 2.339 120 I HA 0.627 4.797 4.170 -0.000 0.000 0.290 120 I C -0.209 175.985 176.117 0.129 0.000 0.994 120 I CA -0.749 60.636 61.300 0.141 0.000 1.191 120 I CB 1.598 39.693 38.000 0.158 0.000 1.343 120 I HN 0.561 nan 8.210 nan 0.000 0.458 121 A N 4.448 127.335 122.820 0.112 0.000 2.371 121 A HA 0.893 5.213 4.320 -0.000 0.000 0.311 121 A C -0.562 177.200 177.584 0.296 0.000 1.068 121 A CA -0.430 51.670 52.037 0.105 0.000 0.744 121 A CB 1.430 20.306 19.000 -0.206 0.000 1.239 121 A HN 0.596 nan 8.150 nan 0.000 0.435 122 T N 2.043 116.792 114.554 0.325 0.000 2.971 122 T HA 0.578 4.928 4.350 -0.000 0.000 0.304 122 T C -1.078 173.618 174.700 -0.006 0.000 1.038 122 T CA -0.446 61.755 62.100 0.169 0.000 1.007 122 T CB 1.305 70.186 68.868 0.022 0.000 1.055 122 T HN 0.666 nan 8.240 nan 0.000 0.451 123 N N 0.796 119.266 118.700 -0.383 0.000 2.369 123 N HA 0.556 5.296 4.740 -0.000 0.000 0.287 123 N C -1.655 173.426 175.510 -0.715 0.000 1.067 123 N CA -0.578 52.043 53.050 -0.714 0.000 0.888 123 N CB 1.323 38.841 38.487 -1.615 0.000 1.616 123 N HN 0.432 nan 8.380 nan 0.000 0.482 124 F N 2.261 121.925 119.950 -0.476 0.000 2.424 124 F HA 0.406 4.931 4.527 -0.002 0.000 0.356 124 F C -0.187 175.323 175.800 -0.484 0.000 1.110 124 F CA -0.235 57.575 58.000 -0.316 0.000 1.161 124 F CB 0.400 39.308 39.000 -0.154 0.000 1.115 124 F HN 0.323 nan 8.300 nan 0.000 0.507 125 F N 3.416 123.411 119.950 0.074 0.000 2.361 125 F HA 0.495 5.025 4.527 0.005 0.000 0.364 125 F C -0.234 175.675 175.800 0.181 0.000 1.120 125 F CA -0.879 57.145 58.000 0.040 0.000 1.102 125 F CB 0.913 39.903 39.000 -0.017 0.000 1.183 125 F HN 0.014 nan 8.300 nan 0.000 0.476 126 V N 2.741 122.788 119.914 0.221 0.000 2.513 126 V HA 0.236 4.356 4.120 -0.000 0.000 0.299 126 V C -0.105 176.077 176.094 0.146 0.000 1.035 126 V CA -0.981 61.412 62.300 0.155 0.000 0.889 126 V CB 1.800 33.611 31.823 -0.019 0.000 0.988 126 V HN 0.519 nan 8.190 nan 0.000 0.440 127 D N 2.425 122.943 120.400 0.197 0.000 2.378 127 D HA -0.003 4.637 4.640 -0.000 0.000 0.238 127 D C 1.068 177.342 176.300 -0.044 0.000 1.180 127 D CA 0.054 54.169 54.000 0.193 0.000 0.895 127 D CB 0.957 41.934 40.800 0.293 0.000 1.192 127 D HN 0.583 nan 8.370 nan 0.000 0.438 128 D N 1.297 121.742 120.400 0.075 0.000 2.149 128 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 128 D C 1.691 178.011 176.300 0.033 0.000 1.001 128 D CA 1.180 55.216 54.000 0.060 0.000 0.849 128 D CB -0.282 40.593 40.800 0.125 0.000 0.939 128 D HN 0.608 nan 8.370 nan 0.000 0.449 129 F N 0.046 120.022 119.950 0.044 0.000 2.710 129 F HA 0.239 4.763 4.527 -0.004 0.000 0.298 129 F C 0.810 176.618 175.800 0.013 0.000 1.137 129 F CA -0.356 57.659 58.000 0.025 0.000 1.444 129 F CB -0.486 38.529 39.000 0.024 0.000 1.111 129 F HN -0.250 nan 8.300 nan 0.000 0.580 130 I N 2.033 122.176 120.570 -0.711 0.000 2.416 130 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 130 I C 0.573 176.557 176.117 -0.221 0.000 1.051 130 I CA 0.080 61.069 61.300 -0.518 0.000 1.375 130 I CB 0.885 38.528 38.000 -0.596 0.000 1.407 130 I HN 0.293 nan 8.210 nan 0.000 0.516 131 E N 6.945 127.063 120.200 -0.138 0.000 2.044 131 E HA 0.415 4.765 4.350 -0.000 0.000 0.282 131 E C -0.485 176.049 176.600 -0.110 0.000 1.031 131 E CA -0.561 55.785 56.400 -0.090 0.000 0.824 131 E CB 0.889 30.560 29.700 -0.049 0.000 1.076 131 E HN 0.443 nan 8.360 nan 0.000 0.395 132 V N 4.007 123.858 119.914 -0.105 0.000 2.521 132 V HA 0.090 4.210 4.120 -0.000 0.000 0.286 132 V C 0.690 176.745 176.094 -0.064 0.000 1.034 132 V CA -0.613 61.620 62.300 -0.110 0.000 1.045 132 V CB 0.773 32.543 31.823 -0.088 0.000 0.974 132 V HN 0.713 nan 8.190 nan 0.000 0.480 133 I N 4.425 124.956 120.570 -0.066 0.000 2.556 133 I HA 0.046 4.216 4.170 -0.000 0.000 0.284 133 I C 1.448 177.587 176.117 0.036 0.000 1.114 133 I CA 0.420 61.710 61.300 -0.016 0.000 1.418 133 I CB 0.116 38.107 38.000 -0.015 0.000 1.394 133 I HN 0.732 nan 8.210 nan 0.000 0.552 134 N N 5.803 124.517 118.700 0.024 0.000 2.142 134 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 134 N C 1.478 177.011 175.510 0.038 0.000 1.023 134 N CA 1.542 54.608 53.050 0.027 0.000 0.852 134 N CB 0.178 38.673 38.487 0.014 0.000 0.998 134 N HN 0.456 nan 8.380 nan 0.000 0.424 135 K N -1.002 119.425 120.400 0.044 0.000 2.152 135 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 135 K C 1.717 178.351 176.600 0.056 0.000 1.048 135 K CA 1.182 57.495 56.287 0.045 0.000 0.933 135 K CB -0.305 32.223 32.500 0.047 0.000 0.721 135 K HN 0.339 nan 8.250 nan 0.000 0.447 136 Y N 1.911 122.193 120.300 -0.030 0.000 2.163 136 Y HA -0.275 4.275 4.550 -0.001 0.000 0.288 136 Y C 2.670 178.552 175.900 -0.030 0.000 1.136 136 Y CA 1.747 59.820 58.100 -0.044 0.000 1.147 136 Y CB -0.146 38.246 38.460 -0.113 0.000 0.987 136 Y HN 0.043 nan 8.280 nan 0.000 0.509 137 Q N 0.303 120.135 119.800 0.053 0.000 2.096 137 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 137 Q C 2.403 178.367 176.000 -0.060 0.000 0.982 137 Q CA 2.916 58.715 55.803 -0.006 0.000 0.850 137 Q CB -0.524 28.230 28.738 0.027 0.000 0.901 137 Q HN 0.633 nan 8.270 nan 0.000 0.422 138 Q N 0.338 120.114 119.800 -0.041 0.000 2.002 138 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 138 Q C 2.010 177.975 176.000 -0.059 0.000 0.988 138 Q CA 1.892 57.670 55.803 -0.041 0.000 0.843 138 Q CB -0.983 27.747 28.738 -0.014 0.000 0.908 138 Q HN 0.538 nan 8.270 nan 0.000 0.420 139 I N 0.934 121.473 120.570 -0.052 0.000 2.226 139 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 139 I C 2.776 178.911 176.117 0.030 0.000 1.100 139 I CA 1.416 62.751 61.300 0.057 0.000 1.374 139 I CB -1.598 36.415 38.000 0.021 0.000 1.057 139 I HN 0.514 nan 8.210 nan 0.000 0.413 140 A N 1.271 123.996 122.820 -0.158 0.000 1.877 140 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 140 A C 2.099 179.688 177.584 0.008 0.000 1.186 140 A CA 1.892 53.895 52.037 -0.056 0.000 0.620 140 A CB -0.678 18.205 19.000 -0.196 0.000 0.822 140 A HN 0.433 nan 8.150 nan 0.000 0.443 141 N N -0.282 118.387 118.700 -0.051 0.000 2.106 141 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 141 N C 1.748 177.126 175.510 -0.220 0.000 1.029 141 N CA 1.996 55.008 53.050 -0.064 0.000 0.848 141 N CB -0.976 37.491 38.487 -0.034 0.000 1.007 141 N HN 0.480 nan 8.380 nan 0.000 0.423 142 T N 0.664 115.054 114.554 -0.273 0.000 2.732 142 T HA -0.028 4.322 4.350 -0.000 0.000 0.261 142 T C 1.451 175.734 174.700 -0.694 0.000 1.040 142 T CA 0.977 62.797 62.100 -0.467 0.000 1.145 142 T CB -0.149 68.400 68.868 -0.530 0.000 0.866 142 T HN 0.383 nan 8.240 nan 0.000 0.427 143 H N -1.211 117.590 119.070 -0.448 0.000 2.520 143 H HA 0.150 4.706 4.556 -0.000 0.000 0.279 143 H C 0.875 175.760 175.328 -0.739 0.000 0.990 143 H CA 0.824 56.494 56.048 -0.630 0.000 1.288 143 H CB 0.323 29.593 29.762 -0.820 0.000 1.446 143 H HN 0.418 nan 8.280 nan 0.000 0.538 144 Y N -0.457 119.784 120.300 -0.098 0.000 2.500 144 Y HA 0.175 4.725 4.550 -0.000 0.000 0.246 144 Y C 0.332 176.251 175.900 0.033 0.000 1.146 144 Y CA -0.567 57.525 58.100 -0.013 0.000 1.230 144 Y CB 0.192 38.635 38.460 -0.028 0.000 1.214 144 Y HN 0.139 nan 8.280 nan 0.000 0.526 145 H N -0.401 118.746 119.070 0.129 0.000 2.655 145 H HA -0.122 4.434 4.556 -0.001 0.000 0.313 145 H C 0.224 175.624 175.328 0.120 0.000 1.141 145 H CA 0.667 56.778 56.048 0.104 0.000 1.138 145 H CB -1.242 28.580 29.762 0.100 0.000 1.446 145 H HN 0.406 nan 8.280 nan 0.000 0.415 146 A N 0.431 123.352 122.820 0.167 0.000 2.384 146 A HA 0.852 5.172 4.320 -0.000 0.000 0.312 146 A C 0.154 177.804 177.584 0.110 0.000 1.113 146 A CA -0.703 51.418 52.037 0.139 0.000 0.779 146 A CB 2.036 21.116 19.000 0.133 0.000 1.307 146 A HN 0.188 nan 8.150 nan 0.000 0.436 147 M N 0.017 119.667 119.600 0.083 0.000 2.719 147 M HA 0.589 5.068 4.480 -0.000 0.000 0.291 147 M C -1.727 174.580 176.300 0.012 0.000 1.264 147 M CA -0.560 54.769 55.300 0.048 0.000 0.811 147 M CB 2.085 34.715 32.600 0.049 0.000 1.756 147 M HN 0.492 nan 8.290 nan 0.000 0.464 148 L N 0.530 121.744 121.223 -0.015 0.000 2.386 148 L HA 0.593 4.932 4.340 -0.000 0.000 0.271 148 L C -0.792 176.007 176.870 -0.118 0.000 0.993 148 L CA -0.247 54.557 54.840 -0.060 0.000 0.819 148 L CB 2.055 44.109 42.059 -0.009 0.000 1.294 148 L HN 0.619 nan 8.230 nan 0.000 0.414 149 E N 1.914 121.996 120.200 -0.197 0.000 2.293 149 E HA 0.482 4.832 4.350 -0.000 0.000 0.270 149 E C -1.275 175.310 176.600 -0.026 0.000 0.879 149 E CA -0.962 55.373 56.400 -0.108 0.000 0.756 149 E CB 1.575 31.183 29.700 -0.152 0.000 1.208 149 E HN 0.280 nan 8.360 nan 0.000 0.428 150 K N 2.097 122.499 120.400 0.004 0.000 2.205 150 K HA 0.374 4.694 4.320 -0.000 0.000 0.279 150 K C -0.087 176.522 176.600 0.014 0.000 1.027 150 K CA -0.421 55.870 56.287 0.007 0.000 0.932 150 K CB 1.260 33.756 32.500 -0.006 0.000 1.032 150 K HN 0.435 nan 8.250 nan 0.000 0.466 151 V N -1.828 118.070 119.914 -0.027 0.000 3.167 151 V HA 0.628 4.748 4.120 -0.000 0.000 0.310 151 V C -0.471 175.536 176.094 -0.145 0.000 1.207 151 V CA -0.958 61.269 62.300 -0.121 0.000 1.059 151 V CB 2.273 33.932 31.823 -0.273 0.000 1.079 151 V HN 0.544 nan 8.190 nan 0.000 0.446 152 S N 0.454 116.054 115.700 -0.168 0.000 2.601 152 S HA 0.507 4.977 4.470 -0.000 0.000 0.312 152 S C -0.257 174.283 174.600 -0.100 0.000 1.107 152 S CA -0.286 57.877 58.200 -0.062 0.000 1.129 152 S CB 0.551 63.746 63.200 -0.008 0.000 0.982 152 S HN 0.725 nan 8.310 nan 0.000 0.469 153 Y N 1.737 122.077 120.300 0.067 0.000 2.571 153 Y HA -0.107 4.445 4.550 0.003 0.000 0.294 153 Y C 2.670 178.599 175.900 0.049 0.000 1.141 153 Y CA 0.825 58.959 58.100 0.057 0.000 1.308 153 Y CB -0.217 38.291 38.460 0.079 0.000 1.002 153 Y HN 0.731 nan 8.280 nan 0.000 0.551 154 S N -0.587 115.212 115.700 0.164 0.000 2.547 154 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 154 S C 0.822 175.459 174.600 0.063 0.000 0.980 154 S CA 0.748 59.010 58.200 0.104 0.000 0.941 154 S CB -0.272 62.978 63.200 0.084 0.000 0.763 154 S HN 0.350 nan 8.310 nan 0.000 0.532 155 N N 1.434 120.159 118.700 0.042 0.000 2.790 155 N HA 0.395 5.135 4.740 -0.000 0.000 0.256 155 N C -2.621 172.886 175.510 -0.004 0.000 1.409 155 N CA -2.262 50.796 53.050 0.013 0.000 0.799 155 N CB 1.438 39.922 38.487 -0.006 0.000 1.170 155 N HN -0.016 nan 8.380 nan 0.000 0.507 156 P HA -0.060 nan 4.420 nan 0.000 0.218 156 P C 1.052 178.342 177.300 -0.017 0.000 1.148 156 P CA 1.290 64.407 63.100 0.029 0.000 0.822 156 P CB 0.386 32.121 31.700 0.057 0.000 0.784 157 T N -0.329 114.216 114.554 -0.015 0.000 2.737 157 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 157 T C 1.912 176.586 174.700 -0.043 0.000 1.038 157 T CA 1.478 63.562 62.100 -0.026 0.000 1.144 157 T CB -0.745 68.114 68.868 -0.015 0.000 0.866 157 T HN 0.301 nan 8.240 nan 0.000 0.434 158 Q N 0.589 120.363 119.800 -0.044 0.000 2.124 158 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 158 Q C 2.061 178.006 176.000 -0.091 0.000 0.977 158 Q CA 1.714 57.485 55.803 -0.054 0.000 0.850 158 Q CB -0.373 28.340 28.738 -0.043 0.000 0.901 158 Q HN 0.423 nan 8.270 nan 0.000 0.429 159 T N 0.829 115.306 114.554 -0.128 0.000 2.777 159 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 159 T C 1.890 176.454 174.700 -0.227 0.000 1.040 159 T CA 1.236 63.203 62.100 -0.222 0.000 1.141 159 T CB -0.418 68.255 68.868 -0.325 0.000 0.868 159 T HN 0.499 nan 8.240 nan 0.000 0.444 160 A N 1.639 124.366 122.820 -0.155 0.000 1.908 160 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 160 A C 2.654 180.157 177.584 -0.135 0.000 1.181 160 A CA 1.969 53.916 52.037 -0.150 0.000 0.627 160 A CB -1.173 17.768 19.000 -0.098 0.000 0.818 160 A HN 0.512 nan 8.150 nan 0.000 0.445 161 A N -1.129 121.634 122.820 -0.096 0.000 1.902 161 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 161 A C 2.320 179.871 177.584 -0.056 0.000 1.181 161 A CA 2.371 54.372 52.037 -0.061 0.000 0.623 161 A CB -1.281 17.695 19.000 -0.040 0.000 0.818 161 A HN 0.443 nan 8.150 nan 0.000 0.443 162 T N 0.282 114.781 114.554 -0.091 0.000 2.708 162 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 162 T C 1.813 176.459 174.700 -0.089 0.000 1.037 162 T CA 1.551 63.614 62.100 -0.061 0.000 1.146 162 T CB -0.401 68.414 68.868 -0.087 0.000 0.865 162 T HN 0.425 nan 8.240 nan 0.000 0.435 163 I N 1.557 121.921 120.570 -0.343 0.000 2.226 163 I HA -0.183 3.986 4.170 -0.000 0.000 0.245 163 I C 2.367 178.471 176.117 -0.021 0.000 1.100 163 I CA 0.952 61.959 61.300 -0.489 0.000 1.374 163 I CB -0.359 37.186 38.000 -0.758 0.000 1.057 163 I HN 0.179 nan 8.210 nan 0.000 0.413 164 N N 0.986 119.664 118.700 -0.038 0.000 2.188 164 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 164 N C 1.532 177.095 175.510 0.089 0.000 1.018 164 N CA 1.085 54.153 53.050 0.029 0.000 0.858 164 N CB -0.554 37.920 38.487 -0.021 0.000 0.989 164 N HN 0.345 nan 8.380 nan 0.000 0.426 165 N N -0.026 118.729 118.700 0.093 0.000 2.244 165 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 165 N C 1.482 177.107 175.510 0.191 0.000 1.016 165 N CA 0.413 53.526 53.050 0.104 0.000 0.866 165 N CB -0.439 38.098 38.487 0.083 0.000 0.980 165 N HN 0.432 nan 8.380 nan 0.000 0.430 166 W N 1.430 122.799 121.300 0.114 0.000 2.381 166 W HA -0.069 4.590 4.660 -0.002 0.000 0.301 166 W C 1.812 178.500 176.519 0.281 0.000 1.205 166 W CA 0.779 58.281 57.345 0.261 0.000 1.285 166 W CB -0.258 29.415 29.460 0.355 0.000 1.133 166 W HN -0.235 nan 8.180 nan 0.000 0.521 167 V N 0.164 120.281 119.914 0.339 0.000 2.295 167 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 167 V C 2.514 178.587 176.094 -0.036 0.000 1.049 167 V CA 2.257 64.623 62.300 0.109 0.000 1.024 167 V CB -1.346 30.596 31.823 0.198 0.000 0.648 167 V HN 0.334 nan 8.190 nan 0.000 0.447 168 S N -0.567 115.130 115.700 -0.005 0.000 2.356 168 S HA -0.285 4.185 4.470 -0.000 0.000 0.223 168 S C 2.131 176.649 174.600 -0.137 0.000 1.032 168 S CA 2.093 60.260 58.200 -0.055 0.000 1.005 168 S CB -0.369 62.813 63.200 -0.029 0.000 0.867 168 S HN 0.760 nan 8.310 nan 0.000 0.449 169 E N -0.563 119.543 120.200 -0.157 0.000 2.160 169 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 169 E C 1.299 177.614 176.600 -0.474 0.000 0.991 169 E CA 1.316 57.544 56.400 -0.287 0.000 0.810 169 E CB -0.234 29.302 29.700 -0.273 0.000 0.742 169 E HN 0.702 nan 8.360 nan 0.000 0.466 170 H N -0.894 117.930 119.070 -0.410 0.000 2.551 170 H HA 0.081 4.636 4.556 -0.001 0.000 0.271 170 H C 0.874 176.010 175.328 -0.320 0.000 0.984 170 H CA 1.279 57.067 56.048 -0.434 0.000 1.164 170 H CB 0.892 30.201 29.762 -0.755 0.000 1.437 170 H HN 0.276 nan 8.280 nan 0.000 0.550 171 T N -2.820 111.591 114.554 -0.237 0.000 3.231 171 T HA 0.037 4.387 4.350 -0.000 0.000 0.292 171 T C 0.472 174.818 174.700 -0.590 0.000 1.001 171 T CA -0.344 61.570 62.100 -0.310 0.000 0.920 171 T CB -0.196 68.638 68.868 -0.057 0.000 1.140 171 T HN 0.118 nan 8.240 nan 0.000 0.525 172 N N 1.197 119.612 118.700 -0.474 0.000 2.725 172 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 172 N C 1.144 176.507 175.510 -0.246 0.000 1.103 172 N CA 1.585 54.395 53.050 -0.401 0.000 0.707 172 N CB -1.539 36.605 38.487 -0.573 0.000 1.043 172 N HN 1.275 nan 8.380 nan 0.000 0.553 173 G N -0.967 107.728 108.800 -0.175 0.000 2.184 173 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.264 173 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.264 173 G C 0.873 175.752 174.900 -0.034 0.000 0.975 173 G CA 1.061 46.109 45.100 -0.086 0.000 0.642 173 G HN 0.692 nan 8.290 nan 0.000 0.536 174 R N 0.019 120.503 120.500 -0.027 0.000 2.096 174 R HA 0.233 4.573 4.340 -0.000 0.000 0.235 174 R C 1.057 177.408 176.300 0.086 0.000 1.127 174 R CA 1.431 57.587 56.100 0.092 0.000 0.968 174 R CB -0.217 30.248 30.300 0.276 0.000 0.861 174 R HN 0.499 nan 8.270 nan 0.000 0.440 175 L N 0.413 121.673 121.223 0.062 0.000 2.365 175 L HA 0.491 4.831 4.340 -0.000 0.000 0.273 175 L C 0.670 177.559 176.870 0.032 0.000 1.000 175 L CA -0.966 53.912 54.840 0.064 0.000 0.819 175 L CB 2.145 44.259 42.059 0.092 0.000 1.284 175 L HN -0.022 nan 8.230 nan 0.000 0.418 176 R N 1.143 121.661 120.500 0.031 0.000 2.394 176 R HA 0.215 4.555 4.340 -0.000 0.000 0.220 176 R C -0.184 176.126 176.300 0.017 0.000 0.887 176 R CA 0.197 56.306 56.100 0.016 0.000 1.034 176 R CB 0.932 31.237 30.300 0.009 0.000 1.179 176 R HN 0.765 nan 8.270 nan 0.000 0.561 177 E N -0.289 119.923 120.200 0.019 0.000 2.401 177 E HA 0.165 4.515 4.350 -0.000 0.000 0.280 177 E C -0.450 176.142 176.600 -0.013 0.000 1.039 177 E CA -0.559 55.839 56.400 -0.003 0.000 0.814 177 E CB 0.868 30.555 29.700 -0.022 0.000 1.275 177 E HN -0.019 nan 8.360 nan 0.000 0.448 178 I N 0.326 120.858 120.570 -0.063 0.000 4.983 178 I HA 0.164 4.333 4.170 -0.000 0.000 0.346 178 I C -0.702 175.239 176.117 -0.293 0.000 1.261 178 I CA 0.100 61.331 61.300 -0.115 0.000 1.406 178 I CB 1.261 39.233 38.000 -0.047 0.000 1.529 178 I HN 0.481 nan 8.210 nan 0.000 0.524 179 V N -0.882 118.855 119.914 -0.295 0.000 3.040 179 V HA 0.765 4.885 4.120 -0.000 0.000 0.312 179 V C -0.221 175.753 176.094 -0.199 0.000 1.115 179 V CA -0.012 62.058 62.300 -0.382 0.000 0.998 179 V CB 1.282 32.801 31.823 -0.506 0.000 1.042 179 V HN 0.206 nan 8.190 nan 0.000 0.433 180 T N -0.953 113.511 114.554 -0.150 0.000 2.942 180 T HA 0.662 5.012 4.350 -0.000 0.000 0.289 180 T C -2.094 172.575 174.700 -0.052 0.000 1.044 180 T CA -1.959 60.093 62.100 -0.079 0.000 1.023 180 T CB 1.718 70.558 68.868 -0.046 0.000 1.123 180 T HN 0.486 nan 8.240 nan 0.000 0.512 181 P HA -0.105 nan 4.420 nan 0.000 0.217 181 P C 1.025 178.339 177.300 0.024 0.000 1.151 181 P CA 1.080 64.181 63.100 0.001 0.000 0.849 181 P CB 0.009 31.710 31.700 0.002 0.000 0.787 182 D N -1.085 119.324 120.400 0.016 0.000 2.178 182 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 182 D C 1.801 178.132 176.300 0.052 0.000 0.974 182 D CA 1.479 55.498 54.000 0.030 0.000 0.841 182 D CB -0.421 40.391 40.800 0.021 0.000 0.953 182 D HN 0.255 nan 8.370 nan 0.000 0.478 183 S N -0.387 115.344 115.700 0.052 0.000 2.607 183 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 183 S C 1.786 176.499 174.600 0.187 0.000 0.969 183 S CA 0.085 58.359 58.200 0.124 0.000 0.927 183 S CB -0.138 63.109 63.200 0.079 0.000 0.772 183 S HN 0.217 nan 8.310 nan 0.000 0.533 184 L N 1.006 122.306 121.223 0.129 0.000 2.693 184 L HA 0.229 4.569 4.340 -0.000 0.000 0.235 184 L C 0.929 177.869 176.870 0.117 0.000 1.127 184 L CA -0.114 54.831 54.840 0.175 0.000 0.914 184 L CB -0.040 42.162 42.059 0.238 0.000 1.193 184 L HN 0.239 nan 8.230 nan 0.000 0.502 185 E N 0.844 121.095 120.200 0.085 0.000 2.493 185 E HA 0.232 4.582 4.350 -0.000 0.000 0.255 185 E C 1.200 177.815 176.600 0.025 0.000 0.999 185 E CA 0.670 57.104 56.400 0.056 0.000 0.934 185 E CB 0.342 30.069 29.700 0.044 0.000 0.940 185 E HN 0.608 nan 8.360 nan 0.000 0.473 186 G N 2.364 111.170 108.800 0.010 0.000 2.179 186 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 186 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 186 G C 0.440 175.291 174.900 -0.082 0.000 0.977 186 G CA 0.271 45.360 45.100 -0.018 0.000 0.641 186 G HN 1.366 nan 8.290 nan 0.000 0.533 187 A N -0.869 121.842 122.820 -0.181 0.000 2.322 187 A HA 0.813 5.133 4.320 -0.000 0.000 0.269 187 A C 1.212 178.407 177.584 -0.649 0.000 1.094 187 A CA 0.631 52.423 52.037 -0.408 0.000 0.807 187 A CB 1.443 20.129 19.000 -0.523 0.000 1.047 187 A HN 0.959 nan 8.150 nan 0.000 0.487 188 V N 1.394 121.028 119.914 -0.467 0.000 3.251 188 V HA 0.268 4.388 4.120 -0.000 0.000 0.239 188 V C 0.108 176.108 176.094 -0.157 0.000 1.332 188 V CA 0.674 62.832 62.300 -0.237 0.000 1.224 188 V CB 0.064 31.896 31.823 0.016 0.000 1.004 188 V HN 0.692 nan 8.190 nan 0.000 0.464 189 I N 0.259 120.766 120.570 -0.105 0.000 2.512 189 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 189 I C -0.905 175.283 176.117 0.118 0.000 1.069 189 I CA -0.003 61.347 61.300 0.083 0.000 1.056 189 I CB 2.390 40.443 38.000 0.089 0.000 1.229 189 I HN 0.019 nan 8.210 nan 0.000 0.429 190 T N 6.534 121.251 114.554 0.273 0.000 2.807 190 T HA 0.525 4.875 4.350 -0.000 0.000 0.279 190 T C -0.814 174.027 174.700 0.235 0.000 0.993 190 T CA -0.428 61.840 62.100 0.280 0.000 0.970 190 T CB 1.824 70.954 68.868 0.437 0.000 0.950 190 T HN 0.229 nan 8.240 nan 0.000 0.441 191 L N 4.928 126.196 121.223 0.075 0.000 2.305 191 L HA 0.759 5.099 4.340 -0.000 0.000 0.284 191 L C -1.166 175.692 176.870 -0.021 0.000 1.013 191 L CA -0.522 54.206 54.840 -0.187 0.000 0.819 191 L CB 1.122 42.950 42.059 -0.385 0.000 1.227 191 L HN 0.452 nan 8.230 nan 0.000 0.417 192 V N 4.998 124.895 119.914 -0.027 0.000 2.540 192 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 192 V C -0.655 175.511 176.094 0.119 0.000 1.035 192 V CA -0.693 61.698 62.300 0.153 0.000 0.873 192 V CB 1.936 33.924 31.823 0.275 0.000 0.992 192 V HN 0.880 nan 8.190 nan 0.000 0.428 193 N N 2.848 121.661 118.700 0.189 0.000 2.249 193 N HA 0.786 5.526 4.740 -0.000 0.000 0.296 193 N C -1.086 174.563 175.510 0.231 0.000 1.051 193 N CA -0.492 52.674 53.050 0.194 0.000 0.815 193 N CB 2.268 40.797 38.487 0.070 0.000 1.487 193 N HN 0.634 nan 8.380 nan 0.000 0.475 194 V N 0.825 120.878 119.914 0.232 0.000 3.102 194 V HA 0.741 4.861 4.120 -0.000 0.000 0.312 194 V C -0.689 175.483 176.094 0.130 0.000 1.135 194 V CA -0.866 61.538 62.300 0.174 0.000 1.022 194 V CB 1.629 33.551 31.823 0.165 0.000 1.056 194 V HN 0.747 nan 8.190 nan 0.000 0.436 195 I N 1.835 122.488 120.570 0.139 0.000 2.802 195 I HA 0.760 4.930 4.170 -0.000 0.000 0.298 195 I C -2.157 174.153 176.117 0.322 0.000 1.176 195 I CA -0.862 60.528 61.300 0.149 0.000 1.025 195 I CB 2.483 40.444 38.000 -0.065 0.000 1.243 195 I HN 1.003 nan 8.210 nan 0.000 0.424 196 Y N 7.382 127.831 120.300 0.249 0.000 2.504 196 Y HA 0.666 5.216 4.550 0.001 0.000 0.344 196 Y C -2.280 173.857 175.900 0.396 0.000 1.023 196 Y CA -1.012 57.257 58.100 0.282 0.000 1.020 196 Y CB 1.775 40.318 38.460 0.137 0.000 1.282 196 Y HN 0.480 nan 8.280 nan 0.000 0.454 197 F N 6.584 126.131 119.950 -0.673 0.000 2.607 197 F HA 0.510 5.037 4.527 -0.001 0.000 0.322 197 F C -1.889 173.414 175.800 -0.829 0.000 1.176 197 F CA -0.876 56.776 58.000 -0.581 0.000 0.977 197 F CB 1.428 40.231 39.000 -0.329 0.000 1.242 197 F HN 0.558 nan 8.300 nan 0.000 0.465 198 K N 4.777 124.403 120.400 -1.290 0.000 2.323 198 K HA 0.841 5.161 4.320 -0.000 0.000 0.259 198 K C -0.872 174.974 176.600 -1.257 0.000 0.947 198 K CA -0.588 55.008 56.287 -1.151 0.000 0.819 198 K CB 1.693 33.873 32.500 -0.533 0.000 1.109 198 K HN 0.965 nan 8.250 nan 0.000 0.429 199 G N 2.939 110.968 108.800 -1.285 0.000 2.660 199 G HA2 0.489 4.449 3.960 -0.000 0.000 0.290 199 G HA3 0.489 4.449 3.960 -0.000 0.000 0.290 199 G C -1.852 172.794 174.900 -0.423 0.000 1.432 199 G CA -0.829 43.791 45.100 -0.800 0.000 0.807 199 G HN 0.494 nan 8.290 nan 0.000 0.485 200 L N 0.104 121.271 121.223 -0.094 0.000 2.346 200 L HA 0.476 4.816 4.340 -0.000 0.000 0.276 200 L C -0.466 176.468 176.870 0.106 0.000 1.006 200 L CA -0.797 54.006 54.840 -0.062 0.000 0.817 200 L CB 2.024 44.072 42.059 -0.020 0.000 1.272 200 L HN 0.638 nan 8.230 nan 0.000 0.421 201 W N 2.185 123.539 121.300 0.090 0.000 2.193 201 W HA 0.045 4.705 4.660 0.001 0.000 0.338 201 W C 1.427 177.897 176.519 -0.081 0.000 1.310 201 W CA -0.491 56.825 57.345 -0.049 0.000 1.243 201 W CB 0.394 29.833 29.460 -0.035 0.000 1.165 201 W HN 0.583 nan 8.180 nan 0.000 0.566 202 T N 1.219 115.834 114.554 0.102 0.000 2.788 202 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 202 T C -0.141 174.272 174.700 -0.479 0.000 1.044 202 T CA 1.315 63.258 62.100 -0.263 0.000 1.139 202 T CB -0.336 68.252 68.868 -0.467 0.000 0.867 202 T HN 0.178 nan 8.240 nan 0.000 0.454 203 Y N 1.862 122.228 120.300 0.110 0.000 2.686 203 Y HA 0.361 4.911 4.550 0.000 0.000 0.331 203 Y C -2.501 173.355 175.900 -0.074 0.000 0.996 203 Y CA -3.751 54.344 58.100 -0.007 0.000 1.293 203 Y CB 0.832 39.272 38.460 -0.033 0.000 1.092 203 Y HN 0.015 nan 8.280 nan 0.000 0.524 204 P HA 0.138 nan 4.420 nan 0.000 0.274 204 P C -0.506 176.804 177.300 0.016 0.000 1.231 204 P CA -0.204 63.014 63.100 0.196 0.000 0.790 204 P CB 1.043 32.874 31.700 0.218 0.000 0.951 205 F N 1.627 121.608 119.950 0.051 0.000 2.418 205 F HA 0.252 4.779 4.527 0.000 0.000 0.341 205 F C -1.343 174.472 175.800 0.025 0.000 1.120 205 F CA -1.723 56.277 58.000 -0.001 0.000 1.232 205 F CB -0.637 38.333 39.000 -0.049 0.000 1.175 205 F HN 0.174 nan 8.300 nan 0.000 0.569 206 P HA 0.016 nan 4.420 nan 0.000 0.266 206 P C -1.083 176.290 177.300 0.122 0.000 1.195 206 P CA -0.035 63.136 63.100 0.118 0.000 0.768 206 P CB 0.408 32.157 31.700 0.080 0.000 0.838 207 E N 0.883 121.134 120.200 0.086 0.000 2.194 207 E HA 0.327 4.677 4.350 -0.000 0.000 0.284 207 E C -0.745 175.882 176.600 0.045 0.000 1.035 207 E CA -0.609 55.828 56.400 0.062 0.000 0.836 207 E CB 0.828 30.563 29.700 0.059 0.000 1.070 207 E HN 0.122 nan 8.360 nan 0.000 0.401 208 V N 2.997 122.931 119.914 0.032 0.000 2.448 208 V HA 0.219 4.339 4.120 -0.000 0.000 0.295 208 V C 0.832 176.939 176.094 0.021 0.000 1.025 208 V CA -0.194 62.122 62.300 0.027 0.000 0.859 208 V CB 1.492 33.332 31.823 0.028 0.000 0.988 208 V HN 0.911 nan 8.190 nan 0.000 0.431 209 A N 4.363 127.197 122.820 0.024 0.000 1.877 209 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 209 A C 0.922 178.521 177.584 0.027 0.000 1.186 209 A CA 1.391 53.444 52.037 0.026 0.000 0.620 209 A CB -0.163 18.852 19.000 0.026 0.000 0.822 209 A HN 0.738 nan 8.150 nan 0.000 0.443 210 N N 0.009 118.725 118.700 0.027 0.000 2.524 210 N HA 0.284 5.023 4.740 -0.000 0.000 0.261 210 N C -1.326 174.206 175.510 0.037 0.000 0.998 210 N CA -0.169 52.901 53.050 0.032 0.000 0.915 210 N CB 1.210 39.715 38.487 0.029 0.000 1.187 210 N HN 0.272 nan 8.380 nan 0.000 0.507 211 N N 1.534 120.264 118.700 0.049 0.000 2.595 211 N HA 0.104 4.844 4.740 -0.000 0.000 0.291 211 N C -1.217 174.372 175.510 0.132 0.000 1.706 211 N CA -0.058 53.034 53.050 0.071 0.000 0.867 211 N CB 0.580 39.107 38.487 0.067 0.000 1.414 211 N HN 0.106 nan 8.380 nan 0.000 0.492 212 V N 1.286 121.268 119.914 0.113 0.000 2.637 212 V HA 0.307 4.427 4.120 -0.000 0.000 0.296 212 V C 0.238 176.431 176.094 0.165 0.000 1.046 212 V CA 0.336 62.729 62.300 0.155 0.000 1.066 212 V CB 0.953 32.834 31.823 0.095 0.000 0.968 212 V HN 0.198 nan 8.190 nan 0.000 0.483 213 K N 4.692 125.256 120.400 0.273 0.000 2.495 213 K HA 0.532 4.852 4.320 -0.000 0.000 0.268 213 K C -2.930 173.793 176.600 0.206 0.000 1.008 213 K CA -1.940 54.426 56.287 0.132 0.000 0.882 213 K CB 1.780 34.194 32.500 -0.143 0.000 1.443 213 K HN 0.257 nan 8.250 nan 0.000 0.447 214 P HA 0.053 nan 4.420 nan 0.000 0.270 214 P C -1.308 175.973 177.300 -0.032 0.000 1.223 214 P CA -0.028 63.020 63.100 -0.088 0.000 0.785 214 P CB 0.320 31.838 31.700 -0.304 0.000 0.923 215 F N 1.965 121.741 119.950 -0.291 0.000 2.547 215 F HA 0.438 4.966 4.527 0.001 0.000 0.316 215 F C -1.239 174.354 175.800 -0.345 0.000 1.121 215 F CA -0.844 57.071 58.000 -0.142 0.000 0.911 215 F CB 1.138 40.153 39.000 0.024 0.000 1.179 215 F HN 0.200 nan 8.300 nan 0.000 0.443 216 Y N 5.175 125.176 120.300 -0.498 0.000 2.700 216 Y HA 0.438 4.988 4.550 0.000 0.000 0.333 216 Y C 0.893 176.610 175.900 -0.305 0.000 1.036 216 Y CA -0.708 57.229 58.100 -0.272 0.000 1.287 216 Y CB 0.683 39.014 38.460 -0.215 0.000 1.132 216 Y HN 0.743 nan 8.280 nan 0.000 0.510 217 G N 0.891 109.721 108.800 0.050 0.000 2.636 217 G HA2 0.110 4.070 3.960 -0.000 0.000 0.246 217 G HA3 0.110 4.070 3.960 -0.000 0.000 0.246 217 G C 0.867 175.815 174.900 0.081 0.000 1.216 217 G CA -0.358 44.832 45.100 0.150 0.000 0.854 217 G HN 0.548 nan 8.290 nan 0.000 0.572 218 T N 0.378 114.977 114.554 0.075 0.000 2.746 218 T HA 0.093 4.443 4.350 -0.000 0.000 0.267 218 T C 1.609 176.331 174.700 0.038 0.000 1.039 218 T CA 2.000 64.126 62.100 0.043 0.000 1.142 218 T CB -0.227 68.659 68.868 0.031 0.000 0.866 218 T HN 0.875 nan 8.240 nan 0.000 0.444 219 R N 0.267 120.792 120.500 0.042 0.000 2.854 219 R HA 0.686 5.026 4.340 -0.000 0.000 0.271 219 R C 0.508 176.834 176.300 0.043 0.000 0.996 219 R CA -0.235 55.886 56.100 0.035 0.000 0.961 219 R CB 0.246 30.561 30.300 0.024 0.000 1.182 219 R HN 0.754 nan 8.270 nan 0.000 0.479 220 G N 1.294 110.117 108.800 0.039 0.000 2.782 220 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.228 220 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.228 220 G C -0.511 174.421 174.900 0.053 0.000 1.372 220 G CA -0.188 44.936 45.100 0.040 0.000 0.862 220 G HN 0.782 nan 8.290 nan 0.000 0.547 221 K N 0.683 121.112 120.400 0.049 0.000 2.276 221 K HA 0.318 4.638 4.320 -0.000 0.000 0.259 221 K C -1.871 174.763 176.600 0.057 0.000 1.001 221 K CA -0.860 55.461 56.287 0.057 0.000 0.927 221 K CB 0.064 32.590 32.500 0.043 0.000 0.969 221 K HN 0.336 nan 8.250 nan 0.000 0.490 222 P HA -0.009 nan 4.420 nan 0.000 0.268 222 P C -0.115 177.178 177.300 -0.012 0.000 1.208 222 P CA 0.101 63.180 63.100 -0.034 0.000 0.777 222 P CB 0.418 32.020 31.700 -0.163 0.000 0.875 223 T N -0.944 113.622 114.554 0.019 0.000 2.864 223 T HA 0.480 4.830 4.350 -0.000 0.000 0.276 223 T C -0.130 174.595 174.700 0.040 0.000 1.006 223 T CA -0.841 61.285 62.100 0.043 0.000 0.970 223 T CB 0.817 69.727 68.868 0.069 0.000 1.420 223 T HN 0.222 nan 8.240 nan 0.000 0.601 224 N N -0.329 118.401 118.700 0.049 0.000 2.265 224 N HA 0.711 5.451 4.740 -0.000 0.000 0.300 224 N C -1.154 174.391 175.510 0.058 0.000 1.148 224 N CA -0.586 52.511 53.050 0.078 0.000 0.772 224 N CB 2.295 40.817 38.487 0.057 0.000 1.434 224 N HN 1.019 nan 8.380 nan 0.000 0.481 225 A N 0.466 123.343 122.820 0.096 0.000 2.566 225 A HA 0.500 4.820 4.320 -0.000 0.000 0.292 225 A C -1.253 176.284 177.584 -0.078 0.000 1.112 225 A CA -0.632 51.344 52.037 -0.102 0.000 0.707 225 A CB 1.564 20.327 19.000 -0.394 0.000 1.302 225 A HN 0.548 nan 8.150 nan 0.000 0.409 226 Q N 0.372 120.069 119.800 -0.171 0.000 2.278 226 Q HA 0.524 4.864 4.340 -0.000 0.000 0.257 226 Q C -1.670 174.187 176.000 -0.237 0.000 0.928 226 Q CA 0.031 55.778 55.803 -0.094 0.000 0.932 226 Q CB 1.500 30.186 28.738 -0.086 0.000 1.221 226 Q HN 0.655 nan 8.270 nan 0.000 0.434 227 Y N 1.635 121.890 120.300 -0.075 0.000 2.567 227 Y HA 0.541 5.091 4.550 0.001 0.000 0.333 227 Y C 0.213 176.008 175.900 -0.176 0.000 1.106 227 Y CA -1.031 57.005 58.100 -0.108 0.000 1.157 227 Y CB 1.683 40.116 38.460 -0.045 0.000 1.277 227 Y HN 0.505 nan 8.280 nan 0.000 0.490 228 M N 0.234 119.771 119.600 -0.104 0.000 2.518 228 M HA 0.743 5.223 4.480 -0.000 0.000 0.300 228 M C -1.892 174.328 176.300 -0.133 0.000 1.175 228 M CA -0.724 54.437 55.300 -0.230 0.000 0.890 228 M CB 3.003 35.233 32.600 -0.617 0.000 1.710 228 M HN 0.572 nan 8.290 nan 0.000 0.453 229 E N 1.846 122.127 120.200 0.134 0.000 2.292 229 E HA 0.489 4.839 4.350 -0.000 0.000 0.272 229 E C -1.645 175.144 176.600 0.315 0.000 0.881 229 E CA -0.767 55.767 56.400 0.224 0.000 0.754 229 E CB 2.892 32.645 29.700 0.088 0.000 1.201 229 E HN 0.737 nan 8.360 nan 0.000 0.425 230 Q N 1.878 121.797 119.800 0.200 0.000 2.565 230 Q HA 0.492 4.832 4.340 -0.000 0.000 0.294 230 Q C -1.252 174.729 176.000 -0.031 0.000 1.005 230 Q CA -1.130 54.673 55.803 -0.000 0.000 0.771 230 Q CB 1.494 30.089 28.738 -0.239 0.000 1.486 230 Q HN 0.257 nan 8.270 nan 0.000 0.422 231 N N -0.303 118.363 118.700 -0.058 0.000 2.421 231 N HA 0.700 5.440 4.740 -0.000 0.000 0.285 231 N C -0.877 174.548 175.510 -0.142 0.000 1.027 231 N CA 0.146 53.151 53.050 -0.075 0.000 0.918 231 N CB 1.832 40.264 38.487 -0.093 0.000 1.152 231 N HN 0.805 nan 8.380 nan 0.000 0.485 232 G N 0.348 109.042 108.800 -0.177 0.000 2.645 232 G HA2 0.258 4.218 3.960 -0.000 0.000 0.292 232 G HA3 0.258 4.218 3.960 -0.000 0.000 0.292 232 G C -1.623 172.742 174.900 -0.892 0.000 1.415 232 G CA -0.443 44.257 45.100 -0.668 0.000 0.785 232 G HN 0.259 nan 8.290 nan 0.000 0.483 233 Q N 0.209 119.263 119.800 -1.243 0.000 2.368 233 Q HA 0.558 4.898 4.340 -0.000 0.000 0.256 233 Q C -1.481 173.832 176.000 -1.145 0.000 0.980 233 Q CA -0.006 55.256 55.803 -0.901 0.000 0.887 233 Q CB 1.482 29.833 28.738 -0.645 0.000 1.221 233 Q HN 0.335 nan 8.270 nan 0.000 0.458 234 F N 0.500 120.275 119.950 -0.292 0.000 2.588 234 F HA 0.334 4.861 4.527 0.000 0.000 0.310 234 F C -0.362 175.367 175.800 -0.118 0.000 1.082 234 F CA -1.205 56.680 58.000 -0.191 0.000 0.929 234 F CB 1.008 39.886 39.000 -0.203 0.000 1.254 234 F HN 0.322 nan 8.300 nan 0.000 0.455 235 Y N 1.853 122.241 120.300 0.147 0.000 2.620 235 Y HA 0.231 4.781 4.550 0.000 0.000 0.330 235 Y C -0.340 175.680 175.900 0.201 0.000 1.186 235 Y CA 0.614 58.794 58.100 0.134 0.000 1.467 235 Y CB 0.166 38.689 38.460 0.104 0.000 1.262 235 Y HN 0.526 nan 8.280 nan 0.000 0.550 236 Y N 2.292 122.694 120.300 0.171 0.000 2.558 236 Y HA 0.480 5.030 4.550 -0.000 0.000 0.333 236 Y C -1.944 174.046 175.900 0.151 0.000 1.125 236 Y CA -1.321 56.854 58.100 0.125 0.000 1.039 236 Y CB 1.978 40.475 38.460 0.061 0.000 1.331 236 Y HN 0.641 nan 8.280 nan 0.000 0.456 237 D N 2.294 122.203 120.400 -0.820 0.000 2.654 237 D HA 0.213 4.853 4.640 -0.000 0.000 0.231 237 D C -1.982 173.886 176.300 -0.720 0.000 1.239 237 D CA -0.538 53.073 54.000 -0.649 0.000 0.790 237 D CB 1.655 42.404 40.800 -0.086 0.000 1.480 237 D HN 0.664 nan 8.370 nan 0.000 0.442 238 N N 1.810 120.297 118.700 -0.355 0.000 2.500 238 N HA 0.234 4.974 4.740 -0.000 0.000 0.236 238 N C -0.986 174.533 175.510 0.015 0.000 1.022 238 N CA -0.273 52.727 53.050 -0.083 0.000 0.935 238 N CB 0.602 39.128 38.487 0.065 0.000 1.147 238 N HN 0.183 nan 8.380 nan 0.000 0.512 239 S N 3.166 118.888 115.700 0.036 0.000 2.430 239 S HA 0.230 4.700 4.470 -0.000 0.000 0.282 239 S C 1.275 175.917 174.600 0.070 0.000 1.186 239 S CA -0.482 57.760 58.200 0.069 0.000 1.060 239 S CB 0.797 64.031 63.200 0.056 0.000 0.966 239 S HN 0.670 nan 8.310 nan 0.000 0.501 240 A N 4.354 127.227 122.820 0.089 0.000 1.930 240 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 240 A C 1.790 179.406 177.584 0.054 0.000 1.175 240 A CA 1.830 53.912 52.037 0.075 0.000 0.627 240 A CB -0.879 18.176 19.000 0.092 0.000 0.815 240 A HN 0.866 nan 8.150 nan 0.000 0.443 241 D N -0.230 120.194 120.400 0.039 0.000 2.097 241 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 241 D C 1.736 178.047 176.300 0.018 0.000 0.989 241 D CA 1.270 55.277 54.000 0.013 0.000 0.827 241 D CB -0.111 40.666 40.800 -0.039 0.000 0.966 241 D HN 0.399 nan 8.370 nan 0.000 0.456 242 L N -1.168 120.071 121.223 0.027 0.000 2.446 242 L HA 0.251 4.591 4.340 -0.000 0.000 0.219 242 L C 1.376 178.279 176.870 0.054 0.000 1.116 242 L CA 0.413 55.279 54.840 0.042 0.000 0.844 242 L CB -0.171 41.923 42.059 0.059 0.000 0.970 242 L HN 0.282 nan 8.230 nan 0.000 0.457 243 G N 1.014 109.847 108.800 0.054 0.000 2.256 243 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.272 243 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.272 243 G C 0.009 174.950 174.900 0.068 0.000 1.076 243 G CA 0.240 45.373 45.100 0.055 0.000 0.882 243 G HN 0.618 nan 8.290 nan 0.000 0.497 244 A N -0.949 121.921 122.820 0.083 0.000 2.604 244 A HA 0.798 5.118 4.320 -0.000 0.000 0.295 244 A C -0.361 177.298 177.584 0.125 0.000 1.067 244 A CA -0.466 51.638 52.037 0.111 0.000 0.683 244 A CB 1.012 20.100 19.000 0.147 0.000 1.281 244 A HN 0.480 nan 8.150 nan 0.000 0.407 245 Q N 0.460 120.359 119.800 0.165 0.000 2.293 245 Q HA 0.621 4.961 4.340 -0.000 0.000 0.251 245 Q C -0.868 175.351 176.000 0.364 0.000 0.930 245 Q CA 0.166 56.110 55.803 0.234 0.000 0.893 245 Q CB 1.426 30.393 28.738 0.382 0.000 1.215 245 Q HN 0.613 nan 8.270 nan 0.000 0.425 246 I N 2.759 123.462 120.570 0.221 0.000 2.509 246 I HA 0.452 4.622 4.170 -0.000 0.000 0.293 246 I C -1.113 175.118 176.117 0.189 0.000 1.020 246 I CA -0.986 60.483 61.300 0.282 0.000 1.088 246 I CB 1.644 39.784 38.000 0.234 0.000 1.267 246 I HN 0.391 nan 8.210 nan 0.000 0.430 247 L N 6.212 127.515 121.223 0.134 0.000 2.422 247 L HA 0.596 4.936 4.340 -0.000 0.000 0.264 247 L C -0.917 175.920 176.870 -0.056 0.000 0.984 247 L CA -0.347 54.431 54.840 -0.104 0.000 0.819 247 L CB 2.045 43.593 42.059 -0.853 0.000 1.330 247 L HN 0.629 nan 8.230 nan 0.000 0.410 248 R N 5.137 125.543 120.500 -0.156 0.000 2.393 248 R HA 0.653 4.993 4.340 -0.000 0.000 0.315 248 R C -1.937 174.206 176.300 -0.262 0.000 0.952 248 R CA -0.608 55.239 56.100 -0.421 0.000 0.842 248 R CB 0.935 30.937 30.300 -0.497 0.000 1.163 248 R HN 0.784 nan 8.270 nan 0.000 0.450 249 L N 7.209 128.269 121.223 -0.272 0.000 2.294 249 L HA 0.496 4.836 4.340 -0.000 0.000 0.283 249 L C -2.101 174.714 176.870 -0.092 0.000 1.015 249 L CA -2.199 52.481 54.840 -0.267 0.000 0.831 249 L CB 1.894 43.557 42.059 -0.659 0.000 1.217 249 L HN 0.484 nan 8.230 nan 0.000 0.420 250 P HA 0.165 nan 4.420 nan 0.000 0.278 250 P C -1.314 176.045 177.300 0.098 0.000 1.238 250 P CA -0.200 62.946 63.100 0.077 0.000 0.794 250 P CB 0.791 32.570 31.700 0.133 0.000 0.955 251 Y N 0.302 120.718 120.300 0.194 0.000 2.403 251 Y HA 0.345 4.895 4.550 0.000 0.000 0.323 251 Y C 1.706 177.652 175.900 0.076 0.000 1.226 251 Y CA -0.517 57.666 58.100 0.137 0.000 1.235 251 Y CB 0.936 39.436 38.460 0.066 0.000 1.248 251 Y HN 0.145 nan 8.280 nan 0.000 0.489 252 R N 0.520 121.159 120.500 0.230 0.000 2.623 252 R HA 0.319 4.659 4.340 -0.000 0.000 0.271 252 R C 0.698 177.124 176.300 0.210 0.000 1.043 252 R CA 1.049 57.237 56.100 0.146 0.000 1.083 252 R CB -0.079 30.279 30.300 0.096 0.000 0.974 252 R HN 1.073 nan 8.270 nan 0.000 0.436 253 G N 1.363 110.267 108.800 0.173 0.000 2.260 253 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.179 253 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.179 253 G C 0.077 175.085 174.900 0.181 0.000 1.002 253 G CA -0.134 45.102 45.100 0.227 0.000 0.677 253 G HN 0.821 nan 8.290 nan 0.000 0.486 254 N N -0.577 118.204 118.700 0.135 0.000 2.721 254 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 254 N C 0.985 176.564 175.510 0.116 0.000 1.072 254 N CA 1.630 54.747 53.050 0.111 0.000 0.710 254 N CB -0.414 38.128 38.487 0.092 0.000 0.993 254 N HN 0.800 nan 8.380 nan 0.000 0.547 255 K N -0.541 119.928 120.400 0.114 0.000 2.703 255 K HA 0.290 4.610 4.320 -0.000 0.000 0.196 255 K C -0.463 176.145 176.600 0.013 0.000 1.457 255 K CA 0.002 56.336 56.287 0.078 0.000 1.115 255 K CB 0.713 33.290 32.500 0.128 0.000 1.661 255 K HN 0.103 nan 8.250 nan 0.000 0.552 256 L N 1.574 122.777 121.223 -0.033 0.000 2.334 256 L HA 0.764 5.104 4.340 -0.000 0.000 0.273 256 L C -0.828 176.142 176.870 0.167 0.000 1.013 256 L CA -1.119 53.691 54.840 -0.050 0.000 0.816 256 L CB 1.985 43.830 42.059 -0.356 0.000 1.278 256 L HN 0.206 nan 8.230 nan 0.000 0.431 257 A N 3.068 125.992 122.820 0.173 0.000 2.572 257 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 257 A C -1.196 176.451 177.584 0.104 0.000 1.072 257 A CA -0.564 51.550 52.037 0.127 0.000 0.691 257 A CB 2.080 21.045 19.000 -0.059 0.000 1.291 257 A HN 0.744 nan 8.150 nan 0.000 0.404 258 M N 1.771 121.386 119.600 0.025 0.000 2.238 258 M HA 0.629 5.109 4.480 -0.000 0.000 0.350 258 M C -1.914 174.156 176.300 -0.383 0.000 1.138 258 M CA -0.317 54.946 55.300 -0.061 0.000 1.040 258 M CB 0.677 33.329 32.600 0.086 0.000 1.639 258 M HN 0.692 nan 8.290 nan 0.000 0.451 259 Y N 3.869 123.807 120.300 -0.603 0.000 2.361 259 Y HA 0.544 5.094 4.550 -0.000 0.000 0.332 259 Y C -1.118 174.446 175.900 -0.560 0.000 1.101 259 Y CA -0.070 57.673 58.100 -0.596 0.000 1.137 259 Y CB 1.353 39.191 38.460 -1.037 0.000 1.207 259 Y HN 0.534 nan 8.280 nan 0.000 0.463 260 F N 3.373 123.412 119.950 0.149 0.000 2.507 260 F HA 0.562 5.089 4.527 -0.000 0.000 0.325 260 F C -0.550 175.493 175.800 0.405 0.000 1.116 260 F CA -0.815 57.379 58.000 0.324 0.000 0.930 260 F CB 1.265 40.376 39.000 0.184 0.000 1.146 260 F HN 0.143 nan 8.300 nan 0.000 0.447 261 I N 4.852 125.796 120.570 0.623 0.000 2.382 261 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 261 I C -1.262 175.152 176.117 0.495 0.000 1.007 261 I CA -0.742 60.863 61.300 0.508 0.000 1.142 261 I CB 1.682 39.930 38.000 0.414 0.000 1.289 261 I HN 0.354 nan 8.210 nan 0.000 0.453 262 L N 9.944 131.409 121.223 0.405 0.000 2.295 262 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 262 L C -2.535 174.420 176.870 0.141 0.000 1.018 262 L CA -1.887 53.088 54.840 0.226 0.000 0.841 262 L CB 0.911 42.876 42.059 -0.156 0.000 1.218 262 L HN 0.212 nan 8.230 nan 0.000 0.424 263 P HA 0.060 nan 4.420 nan 0.000 0.265 263 P C -0.766 176.563 177.300 0.047 0.000 1.193 263 P CA 0.095 63.254 63.100 0.099 0.000 0.765 263 P CB 0.325 32.082 31.700 0.095 0.000 0.823 264 N N 4.750 123.473 118.700 0.040 0.000 2.344 264 N HA -0.035 4.705 4.740 -0.000 0.000 0.236 264 N C -1.465 174.044 175.510 -0.002 0.000 1.279 264 N CA -1.054 52.005 53.050 0.014 0.000 0.882 264 N CB -0.664 37.837 38.487 0.024 0.000 1.110 264 N HN 0.300 nan 8.380 nan 0.000 0.436 265 P HA -0.060 nan 4.420 nan 0.000 0.222 265 P C 0.282 177.564 177.300 -0.030 0.000 1.147 265 P CA 1.100 64.174 63.100 -0.043 0.000 0.790 265 P CB 0.283 31.943 31.700 -0.066 0.000 0.780 266 D N -1.624 118.767 120.400 -0.015 0.000 2.348 266 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 266 D C 0.330 176.631 176.300 0.002 0.000 0.970 266 D CA 0.790 54.785 54.000 -0.008 0.000 0.889 266 D CB -0.181 40.619 40.800 -0.001 0.000 0.912 266 D HN 0.179 nan 8.370 nan 0.000 0.524 267 N N -0.992 117.713 118.700 0.009 0.000 2.312 267 N HA 0.297 5.037 4.740 -0.000 0.000 0.296 267 N C -0.327 175.199 175.510 0.026 0.000 1.193 267 N CA -0.379 52.684 53.050 0.021 0.000 0.773 267 N CB 1.924 40.431 38.487 0.033 0.000 1.435 267 N HN -0.074 nan 8.380 nan 0.000 0.484 268 T N -3.275 111.298 114.554 0.032 0.000 2.948 268 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 268 T C 1.357 176.091 174.700 0.057 0.000 1.019 268 T CA -0.681 61.442 62.100 0.038 0.000 1.013 268 T CB 0.789 69.675 68.868 0.029 0.000 1.117 268 T HN 0.037 nan 8.240 nan 0.000 0.533 269 V N 1.658 121.609 119.914 0.063 0.000 2.332 269 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 269 V C 2.627 178.769 176.094 0.080 0.000 1.055 269 V CA 2.291 64.640 62.300 0.082 0.000 1.038 269 V CB -1.273 30.583 31.823 0.055 0.000 0.651 269 V HN 0.892 nan 8.190 nan 0.000 0.450 270 N N -0.635 118.100 118.700 0.058 0.000 2.120 270 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 270 N C 1.942 177.482 175.510 0.049 0.000 1.024 270 N CA 1.322 54.404 53.050 0.054 0.000 0.852 270 N CB -0.114 38.395 38.487 0.037 0.000 1.003 270 N HN 0.589 nan 8.380 nan 0.000 0.424 271 Q N 0.149 119.975 119.800 0.043 0.000 2.084 271 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 271 Q C 2.150 178.178 176.000 0.046 0.000 0.978 271 Q CA 1.114 56.940 55.803 0.038 0.000 0.844 271 Q CB 0.007 28.765 28.738 0.033 0.000 0.898 271 Q HN 0.227 nan 8.270 nan 0.000 0.426 272 V N 1.247 121.199 119.914 0.064 0.000 2.343 272 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 272 V C 2.224 178.361 176.094 0.073 0.000 1.051 272 V CA 1.447 63.792 62.300 0.076 0.000 1.036 272 V CB -0.547 31.340 31.823 0.107 0.000 0.654 272 V HN 0.346 nan 8.190 nan 0.000 0.451 273 L N -0.090 121.181 121.223 0.081 0.000 2.013 273 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 273 L C 2.382 179.268 176.870 0.026 0.000 1.073 273 L CA 1.805 56.684 54.840 0.065 0.000 0.753 273 L CB -0.789 41.322 42.059 0.087 0.000 0.890 273 L HN 0.357 nan 8.230 nan 0.000 0.432 274 D N -0.488 119.927 120.400 0.024 0.000 2.263 274 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 274 D C 2.243 178.546 176.300 0.006 0.000 0.971 274 D CA 0.813 54.818 54.000 0.009 0.000 0.867 274 D CB -0.093 40.714 40.800 0.012 0.000 0.929 274 D HN 0.195 nan 8.370 nan 0.000 0.492 275 R N 0.013 120.522 120.500 0.016 0.000 2.246 275 R HA 0.188 4.528 4.340 -0.000 0.000 0.199 275 R C 0.804 177.107 176.300 0.006 0.000 0.984 275 R CA -0.070 56.038 56.100 0.013 0.000 1.015 275 R CB 0.267 30.581 30.300 0.023 0.000 0.930 275 R HN 0.246 nan 8.270 nan 0.000 0.475 276 I N 2.819 123.392 120.570 0.005 0.000 2.371 276 I HA 0.014 4.184 4.170 -0.000 0.000 0.290 276 I C -0.076 176.023 176.117 -0.030 0.000 1.028 276 I CA -0.248 61.048 61.300 -0.008 0.000 1.345 276 I CB 0.775 38.773 38.000 -0.004 0.000 1.407 276 I HN 0.165 nan 8.210 nan 0.000 0.501 277 N N 2.098 120.779 118.700 -0.032 0.000 3.039 277 N HA 0.297 5.037 4.740 -0.000 0.000 0.257 277 N C -0.062 175.428 175.510 -0.033 0.000 1.497 277 N CA -0.866 52.160 53.050 -0.040 0.000 0.861 277 N CB 0.789 39.258 38.487 -0.030 0.000 1.479 277 N HN 0.199 nan 8.380 nan 0.000 0.547 278 S N -0.737 114.945 115.700 -0.031 0.000 2.359 278 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 278 S C 1.757 176.364 174.600 0.012 0.000 1.035 278 S CA 1.641 59.831 58.200 -0.016 0.000 1.018 278 S CB -0.814 62.375 63.200 -0.018 0.000 0.876 278 S HN 0.689 nan 8.310 nan 0.000 0.448 279 A N 1.473 124.289 122.820 -0.006 0.000 1.897 279 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 279 A C 2.356 179.956 177.584 0.026 0.000 1.181 279 A CA 1.796 53.834 52.037 0.001 0.000 0.620 279 A CB -0.849 18.131 19.000 -0.033 0.000 0.821 279 A HN 0.613 nan 8.150 nan 0.000 0.443 280 S N -0.591 115.108 115.700 -0.001 0.000 2.406 280 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 280 S C 1.815 176.408 174.600 -0.010 0.000 1.020 280 S CA 1.291 59.481 58.200 -0.017 0.000 0.965 280 S CB -0.421 62.768 63.200 -0.019 0.000 0.798 280 S HN 0.370 nan 8.310 nan 0.000 0.488 281 L N 1.454 122.682 121.223 0.008 0.000 2.131 281 L HA 0.140 4.480 4.340 -0.000 0.000 0.206 281 L C 2.359 179.250 176.870 0.035 0.000 1.087 281 L CA 1.970 56.816 54.840 0.009 0.000 0.767 281 L CB -1.055 40.985 42.059 -0.032 0.000 0.917 281 L HN 0.464 nan 8.230 nan 0.000 0.441 282 H N -0.487 118.574 119.070 -0.015 0.000 2.289 282 H HA -0.260 4.296 4.556 -0.000 0.000 0.296 282 H C 2.307 177.662 175.328 0.045 0.000 1.091 282 H CA 2.550 58.609 56.048 0.017 0.000 1.274 282 H CB -0.032 29.709 29.762 -0.035 0.000 1.364 282 H HN 0.540 nan 8.280 nan 0.000 0.490 283 Q N -0.405 119.379 119.800 -0.028 0.000 2.079 283 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 283 Q C 2.401 178.290 176.000 -0.184 0.000 0.974 283 Q CA 1.195 56.923 55.803 -0.126 0.000 0.840 283 Q CB -0.246 28.371 28.738 -0.202 0.000 0.898 283 Q HN 0.595 nan 8.270 nan 0.000 0.430 284 A N 0.834 123.575 122.820 -0.132 0.000 1.902 284 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 284 A C 2.020 179.638 177.584 0.057 0.000 1.181 284 A CA 1.218 53.212 52.037 -0.072 0.000 0.623 284 A CB -0.649 18.348 19.000 -0.005 0.000 0.818 284 A HN 0.446 nan 8.150 nan 0.000 0.443 285 L N -2.063 119.195 121.223 0.059 0.000 2.156 285 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 285 L C 2.572 179.544 176.870 0.169 0.000 1.095 285 L CA 0.928 55.829 54.840 0.101 0.000 0.770 285 L CB -0.527 41.544 42.059 0.019 0.000 0.914 285 L HN 0.741 nan 8.230 nan 0.000 0.439 286 W N 0.303 121.555 121.300 -0.081 0.000 2.363 286 W HA -0.258 4.402 4.660 -0.000 0.000 0.296 286 W C 2.086 178.744 176.519 0.232 0.000 1.212 286 W CA 1.242 58.587 57.345 -0.001 0.000 1.260 286 W CB -0.136 29.277 29.460 -0.078 0.000 1.131 286 W HN 0.176 nan 8.180 nan 0.000 0.530 287 Y N 0.157 120.544 120.300 0.143 0.000 2.571 287 Y HA 0.028 4.578 4.550 0.000 0.000 0.294 287 Y C 1.400 177.320 175.900 0.034 0.000 1.141 287 Y CA 0.395 58.535 58.100 0.067 0.000 1.308 287 Y CB -1.080 37.436 38.460 0.093 0.000 1.002 287 Y HN -0.255 nan 8.280 nan 0.000 0.551 288 M N 1.334 121.067 119.600 0.223 0.000 2.228 288 M HA 0.158 4.638 4.480 -0.000 0.000 0.351 288 M C 0.153 176.602 176.300 0.249 0.000 1.233 288 M CA 0.657 56.092 55.300 0.223 0.000 1.129 288 M CB 0.583 33.366 32.600 0.304 0.000 1.604 288 M HN 0.192 nan 8.290 nan 0.000 0.457 289 E N 1.244 121.545 120.200 0.169 0.000 2.416 289 E HA 0.408 4.758 4.350 -0.000 0.000 0.273 289 E C -1.404 175.057 176.600 -0.232 0.000 0.935 289 E CA -1.081 55.328 56.400 0.015 0.000 0.784 289 E CB 1.273 30.948 29.700 -0.041 0.000 1.301 289 E HN 0.527 nan 8.360 nan 0.000 0.454 290 E N 0.999 120.826 120.200 -0.621 0.000 2.415 290 E HA 0.109 4.459 4.350 -0.000 0.000 0.260 290 E C -0.934 175.512 176.600 -0.256 0.000 1.016 290 E CA 0.440 56.496 56.400 -0.573 0.000 0.924 290 E CB 0.415 29.748 29.700 -0.612 0.000 0.961 290 E HN 0.300 nan 8.360 nan 0.000 0.459 291 N N 1.488 120.085 118.700 -0.171 0.000 2.321 291 N HA 0.129 4.869 4.740 -0.000 0.000 0.290 291 N C -1.244 174.158 175.510 -0.179 0.000 1.212 291 N CA -0.737 52.243 53.050 -0.116 0.000 0.767 291 N CB 1.463 39.946 38.487 -0.007 0.000 1.494 291 N HN 0.251 nan 8.380 nan 0.000 0.479 292 E N 0.918 121.012 120.200 -0.177 0.000 2.324 292 E HA 0.236 4.586 4.350 -0.000 0.000 0.271 292 E C -0.944 175.545 176.600 -0.186 0.000 1.028 292 E CA 0.074 56.356 56.400 -0.195 0.000 0.890 292 E CB 0.862 30.464 29.700 -0.163 0.000 1.004 292 E HN 0.229 nan 8.360 nan 0.000 0.431 293 V N 3.972 123.797 119.914 -0.148 0.000 2.760 293 V HA 0.229 4.349 4.120 -0.000 0.000 0.309 293 V C 0.135 176.188 176.094 -0.069 0.000 1.077 293 V CA -1.107 61.100 62.300 -0.156 0.000 0.910 293 V CB 2.163 33.890 31.823 -0.160 0.000 1.008 293 V HN 0.540 nan 8.190 nan 0.000 0.424 294 N N 2.903 121.551 118.700 -0.086 0.000 2.426 294 N HA 0.403 5.143 4.740 -0.000 0.000 0.257 294 N C -1.210 174.290 175.510 -0.017 0.000 1.002 294 N CA -0.058 52.967 53.050 -0.042 0.000 0.942 294 N CB 1.739 40.201 38.487 -0.042 0.000 1.112 294 N HN 0.468 nan 8.380 nan 0.000 0.499 295 V N 3.260 123.165 119.914 -0.015 0.000 2.370 295 V HA 0.352 4.472 4.120 -0.000 0.000 0.283 295 V C 0.091 176.241 176.094 0.092 0.000 1.023 295 V CA -0.468 61.829 62.300 -0.005 0.000 0.857 295 V CB 1.546 33.226 31.823 -0.237 0.000 0.985 295 V HN 0.578 nan 8.190 nan 0.000 0.443 296 T N 7.024 121.634 114.554 0.092 0.000 2.786 296 T HA 0.720 5.069 4.350 -0.000 0.000 0.283 296 T C -0.567 174.176 174.700 0.071 0.000 0.992 296 T CA -0.298 61.842 62.100 0.068 0.000 0.954 296 T CB 0.902 69.776 68.868 0.010 0.000 0.934 296 T HN 0.350 nan 8.240 nan 0.000 0.440 297 L N 5.206 126.425 121.223 -0.007 0.000 2.401 297 L HA 0.553 4.893 4.340 -0.000 0.000 0.266 297 L C -2.388 174.462 176.870 -0.033 0.000 0.991 297 L CA -2.614 52.177 54.840 -0.081 0.000 0.818 297 L CB 3.042 44.866 42.059 -0.392 0.000 1.321 297 L HN 0.352 nan 8.230 nan 0.000 0.413 298 P HA 0.201 nan 4.420 nan 0.000 0.284 298 P C -1.261 175.948 177.300 -0.153 0.000 1.253 298 P CA -0.525 62.345 63.100 -0.383 0.000 0.800 298 P CB 0.998 32.498 31.700 -0.334 0.000 0.961 299 K N 2.784 122.999 120.400 -0.310 0.000 2.237 299 K HA 0.447 4.767 4.320 -0.000 0.000 0.270 299 K C 0.038 176.645 176.600 0.010 0.000 1.015 299 K CA 0.078 56.141 56.287 -0.373 0.000 0.949 299 K CB 0.193 32.217 32.500 -0.794 0.000 0.976 299 K HN 0.516 nan 8.250 nan 0.000 0.472 300 F N -1.055 119.015 119.950 0.199 0.000 2.654 300 F HA 0.527 5.054 4.527 -0.001 0.000 0.308 300 F C -1.153 174.913 175.800 0.444 0.000 1.108 300 F CA -1.246 56.960 58.000 0.344 0.000 0.957 300 F CB 1.560 40.703 39.000 0.238 0.000 1.309 300 F HN 0.255 nan 8.300 nan 0.000 0.446 301 K N 3.418 124.176 120.400 0.598 0.000 2.601 301 K HA 0.643 4.963 4.320 -0.000 0.000 0.249 301 K C -2.120 174.725 176.600 0.408 0.000 0.966 301 K CA -0.514 55.978 56.287 0.340 0.000 0.827 301 K CB 1.944 34.433 32.500 -0.018 0.000 1.178 301 K HN 0.854 nan 8.250 nan 0.000 0.437 302 F N 0.394 120.473 119.950 0.215 0.000 2.817 302 F HA 0.592 5.118 4.527 -0.001 0.000 0.317 302 F C -1.896 174.029 175.800 0.208 0.000 1.168 302 F CA -1.014 57.089 58.000 0.172 0.000 0.911 302 F CB 0.949 40.039 39.000 0.150 0.000 1.337 302 F HN 0.494 nan 8.300 nan 0.000 0.464 303 D N 0.015 120.604 120.400 0.314 0.000 2.531 303 D HA 0.687 5.327 4.640 -0.000 0.000 0.244 303 D C -1.898 174.683 176.300 0.467 0.000 1.090 303 D CA -0.600 53.537 54.000 0.228 0.000 0.989 303 D CB 2.746 43.644 40.800 0.164 0.000 1.433 303 D HN 0.760 nan 8.370 nan 0.000 0.492 304 F N 0.478 120.553 119.950 0.208 0.000 2.605 304 F HA 0.533 5.062 4.527 0.002 0.000 0.320 304 F C -1.506 174.383 175.800 0.149 0.000 1.159 304 F CA -0.349 57.776 58.000 0.207 0.000 0.999 304 F CB 1.857 41.011 39.000 0.256 0.000 1.258 304 F HN 0.633 nan 8.300 nan 0.000 0.464 305 S N 4.408 119.808 115.700 -0.499 0.000 2.542 305 S HA 0.913 5.383 4.470 -0.000 0.000 0.293 305 S C -1.420 172.910 174.600 -0.450 0.000 1.089 305 S CA -0.506 57.532 58.200 -0.270 0.000 0.961 305 S CB 2.318 65.465 63.200 -0.087 0.000 1.062 305 S HN 0.798 nan 8.310 nan 0.000 0.483 306 E N 0.889 121.022 120.200 -0.112 0.000 2.375 306 E HA 0.321 4.671 4.350 -0.000 0.000 0.280 306 E C -1.445 175.242 176.600 0.146 0.000 0.972 306 E CA -0.957 55.430 56.400 -0.021 0.000 0.782 306 E CB 1.181 30.871 29.700 -0.017 0.000 1.229 306 E HN 0.698 nan 8.360 nan 0.000 0.439 307 Q N 2.635 122.501 119.800 0.110 0.000 2.279 307 Q HA 0.236 4.576 4.340 -0.000 0.000 0.256 307 Q C -0.108 175.861 176.000 -0.052 0.000 0.937 307 Q CA -0.389 55.362 55.803 -0.086 0.000 0.933 307 Q CB 0.918 29.547 28.738 -0.183 0.000 1.189 307 Q HN 0.795 nan 8.270 nan 0.000 0.417 308 L N 3.450 124.639 121.223 -0.057 0.000 2.558 308 L HA 0.011 4.351 4.340 -0.000 0.000 0.225 308 L C 1.138 177.998 176.870 -0.018 0.000 1.128 308 L CA -0.144 54.753 54.840 0.095 0.000 0.868 308 L CB -0.267 41.903 42.059 0.185 0.000 1.006 308 L HN 0.654 nan 8.230 nan 0.000 0.454 309 N N 1.071 119.608 118.700 -0.272 0.000 2.021 309 N HA -0.265 4.475 4.740 -0.000 0.000 0.198 309 N C 1.752 176.988 175.510 -0.457 0.000 1.041 309 N CA 1.731 54.348 53.050 -0.721 0.000 0.862 309 N CB -0.195 37.822 38.487 -0.783 0.000 1.048 309 N HN 0.328 nan 8.380 nan 0.000 0.427 310 E N 1.088 121.149 120.200 -0.232 0.000 2.028 310 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 310 E C -0.916 175.666 176.600 -0.030 0.000 0.988 310 E CA 1.370 57.695 56.400 -0.125 0.000 0.799 310 E CB -1.121 28.533 29.700 -0.077 0.000 0.755 310 E HN 0.288 nan 8.360 nan 0.000 0.447 311 P HA -0.133 nan 4.420 nan 0.000 0.217 311 P C 1.518 178.953 177.300 0.225 0.000 1.150 311 P CA 1.166 64.295 63.100 0.049 0.000 0.832 311 P CB -0.065 31.595 31.700 -0.067 0.000 0.787 312 L N -0.600 120.833 121.223 0.349 0.000 2.046 312 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 312 L C 2.954 179.997 176.870 0.290 0.000 1.077 312 L CA 1.624 56.713 54.840 0.415 0.000 0.747 312 L CB -0.999 41.324 42.059 0.439 0.000 0.896 312 L HN -0.020 nan 8.230 nan 0.000 0.432 313 Q N -0.787 119.119 119.800 0.176 0.000 2.084 313 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 313 Q C 2.315 178.379 176.000 0.105 0.000 0.978 313 Q CA 1.149 57.037 55.803 0.142 0.000 0.844 313 Q CB -0.046 28.717 28.738 0.041 0.000 0.898 313 Q HN 0.446 nan 8.270 nan 0.000 0.426 314 Q N -0.152 119.695 119.800 0.077 0.000 2.170 314 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 314 Q C 2.027 178.066 176.000 0.065 0.000 0.976 314 Q CA 1.433 57.265 55.803 0.049 0.000 0.858 314 Q CB -0.120 28.626 28.738 0.014 0.000 0.907 314 Q HN 0.434 nan 8.270 nan 0.000 0.433 315 V N -3.993 115.989 119.914 0.114 0.000 3.577 315 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 315 V C 1.065 177.240 176.094 0.135 0.000 1.317 315 V CA 0.768 63.138 62.300 0.117 0.000 1.169 315 V CB 0.001 31.918 31.823 0.157 0.000 1.011 315 V HN 0.332 nan 8.190 nan 0.000 0.426 316 G N 0.844 109.722 108.800 0.129 0.000 2.184 316 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.206 316 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.206 316 G C -0.078 174.895 174.900 0.121 0.000 0.995 316 G CA -0.016 45.149 45.100 0.109 0.000 0.651 316 G HN 0.563 nan 8.290 nan 0.000 0.511 317 I N 1.376 122.048 120.570 0.170 0.000 2.276 317 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 317 I C 1.382 177.633 176.117 0.223 0.000 1.109 317 I CA -0.369 61.024 61.300 0.155 0.000 1.229 317 I CB 0.589 38.690 38.000 0.169 0.000 1.452 317 I HN 0.140 nan 8.210 nan 0.000 0.497 318 R N 2.685 123.272 120.500 0.144 0.000 2.383 318 R HA 0.045 4.385 4.340 -0.000 0.000 0.205 318 R C 1.686 178.046 176.300 0.100 0.000 0.875 318 R CA -0.055 56.168 56.100 0.206 0.000 1.039 318 R CB 0.217 30.601 30.300 0.139 0.000 1.267 318 R HN 0.359 nan 8.270 nan 0.000 0.635 319 E N 2.386 122.589 120.200 0.005 0.000 2.153 319 E HA -0.151 4.198 4.350 -0.000 0.000 0.194 319 E C 1.777 178.304 176.600 -0.122 0.000 0.988 319 E CA 1.324 57.702 56.400 -0.036 0.000 0.811 319 E CB -0.132 29.547 29.700 -0.035 0.000 0.746 319 E HN 0.489 nan 8.360 nan 0.000 0.466 320 I N -2.307 118.090 120.570 -0.288 0.000 3.001 320 I HA -0.038 4.132 4.170 -0.000 0.000 0.268 320 I C 0.683 176.459 176.117 -0.567 0.000 1.267 320 I CA 0.699 61.719 61.300 -0.467 0.000 1.472 320 I CB -0.233 37.385 38.000 -0.637 0.000 1.089 320 I HN -0.070 nan 8.210 nan 0.000 0.468 321 F N 1.660 121.602 119.950 -0.013 0.000 2.664 321 F HA 0.282 4.809 4.527 -0.001 0.000 0.303 321 F C 1.506 177.298 175.800 -0.014 0.000 1.092 321 F CA -0.580 57.410 58.000 -0.016 0.000 1.305 321 F CB -0.490 38.502 39.000 -0.015 0.000 1.054 321 F HN 0.087 nan 8.300 nan 0.000 0.565 322 S N -0.501 115.246 115.700 0.078 0.000 2.693 322 S HA 0.468 4.938 4.470 -0.000 0.000 0.276 322 S C 1.248 175.863 174.600 0.026 0.000 1.192 322 S CA 0.089 58.322 58.200 0.055 0.000 0.994 322 S CB 1.298 64.517 63.200 0.032 0.000 1.012 322 S HN 0.256 nan 8.310 nan 0.000 0.550 323 Q N 0.694 120.506 119.800 0.021 0.000 2.439 323 Q HA -0.036 4.304 4.340 -0.000 0.000 0.211 323 Q C 1.235 177.233 176.000 -0.004 0.000 0.978 323 Q CA 1.668 57.476 55.803 0.009 0.000 0.897 323 Q CB -1.072 27.670 28.738 0.008 0.000 0.956 323 Q HN 0.798 nan 8.270 nan 0.000 0.483 324 N N -0.218 118.477 118.700 -0.008 0.000 2.336 324 N HA 0.311 5.051 4.740 -0.000 0.000 0.189 324 N C 0.256 175.745 175.510 -0.034 0.000 1.113 324 N CA 0.667 53.706 53.050 -0.019 0.000 0.858 324 N CB 0.540 39.018 38.487 -0.015 0.000 0.970 324 N HN 0.621 nan 8.380 nan 0.000 0.471 325 A N 1.013 123.808 122.820 -0.041 0.000 2.340 325 A HA 0.575 4.895 4.320 -0.000 0.000 0.268 325 A C 0.500 178.045 177.584 -0.065 0.000 1.100 325 A CA -0.221 51.775 52.037 -0.068 0.000 0.803 325 A CB 0.456 19.400 19.000 -0.093 0.000 1.043 325 A HN 0.218 nan 8.150 nan 0.000 0.488 326 S N 0.234 115.883 115.700 -0.084 0.000 2.596 326 S HA 0.669 5.139 4.470 -0.000 0.000 0.270 326 S C -0.902 173.625 174.600 -0.123 0.000 1.155 326 S CA -0.687 57.460 58.200 -0.089 0.000 0.827 326 S CB 1.032 64.186 63.200 -0.076 0.000 1.130 326 S HN 0.649 nan 8.310 nan 0.000 0.467 327 L N 1.389 122.525 121.223 -0.144 0.000 2.913 327 L HA 0.381 4.721 4.340 -0.000 0.000 0.283 327 L C -1.926 174.809 176.870 -0.225 0.000 1.336 327 L CA -1.609 53.104 54.840 -0.211 0.000 0.815 327 L CB 1.435 43.340 42.059 -0.255 0.000 1.188 327 L HN 0.536 nan 8.230 nan 0.000 0.551 328 P HA -0.106 nan 4.420 nan 0.000 0.226 328 P C 1.249 178.457 177.300 -0.154 0.000 1.153 328 P CA 1.036 64.051 63.100 -0.141 0.000 0.777 328 P CB 0.462 32.100 31.700 -0.103 0.000 0.794 329 L N -1.552 119.561 121.223 -0.184 0.000 2.567 329 L HA 0.164 4.504 4.340 -0.000 0.000 0.225 329 L C 2.374 179.075 176.870 -0.282 0.000 1.119 329 L CA 0.216 54.969 54.840 -0.145 0.000 0.871 329 L CB -0.250 41.775 42.059 -0.056 0.000 1.036 329 L HN -0.029 nan 8.230 nan 0.000 0.459 330 L N -0.308 120.586 121.223 -0.549 0.000 2.362 330 L HA 0.399 4.739 4.340 -0.000 0.000 0.204 330 L C 1.012 177.602 176.870 -0.467 0.000 1.060 330 L CA 0.206 54.509 54.840 -0.894 0.000 0.827 330 L CB 0.396 41.681 42.059 -1.290 0.000 1.027 330 L HN 0.096 nan 8.230 nan 0.000 0.474 331 A N 0.816 123.430 122.820 -0.344 0.000 2.287 331 A HA 0.412 4.732 4.320 -0.000 0.000 0.317 331 A C -0.331 177.161 177.584 -0.153 0.000 1.220 331 A CA -0.561 51.336 52.037 -0.233 0.000 0.835 331 A CB 0.560 19.428 19.000 -0.221 0.000 1.180 331 A HN 0.321 nan 8.150 nan 0.000 0.500 332 R N 2.427 122.859 120.500 -0.114 0.000 2.458 332 R HA 0.301 4.641 4.340 -0.000 0.000 0.303 332 R C 0.746 177.016 176.300 -0.051 0.000 1.013 332 R CA 0.725 56.782 56.100 -0.072 0.000 1.026 332 R CB 0.264 30.533 30.300 -0.052 0.000 0.948 332 R HN 0.844 nan 8.270 nan 0.000 0.417 340 V N 0.220 120.131 119.914 -0.006 0.000 2.850 340 V HA 0.915 5.035 4.120 -0.000 0.000 0.315 340 V C 0.032 176.102 176.094 -0.041 0.000 1.064 340 V CA -0.801 61.498 62.300 -0.002 0.000 0.979 340 V CB 1.935 33.750 31.823 -0.013 0.000 1.039 340 V HN 0.787 nan 8.190 nan 0.000 0.452 341 R N 0.953 121.437 120.500 -0.026 0.000 2.817 341 R HA 0.811 5.151 4.340 -0.000 0.000 0.268 341 R C -1.578 174.717 176.300 -0.008 0.000 1.027 341 R CA -0.949 55.129 56.100 -0.038 0.000 0.928 341 R CB 1.654 31.936 30.300 -0.030 0.000 1.228 341 R HN 0.471 nan 8.270 nan 0.000 0.469 342 V N 2.493 122.408 119.914 0.002 0.000 2.521 342 V HA 0.024 4.144 4.120 -0.000 0.000 0.286 342 V C 0.705 176.849 176.094 0.084 0.000 1.034 342 V CA 0.333 62.669 62.300 0.060 0.000 1.045 342 V CB 1.122 32.987 31.823 0.070 0.000 0.974 342 V HN 0.945 nan 8.190 nan 0.000 0.480 343 S N 4.719 120.448 115.700 0.050 0.000 2.348 343 S HA 0.141 4.611 4.470 -0.000 0.000 0.219 343 S C 0.743 175.351 174.600 0.014 0.000 1.033 343 S CA 0.782 58.996 58.200 0.024 0.000 0.974 343 S CB 0.055 63.226 63.200 -0.049 0.000 0.868 343 S HN 0.744 nan 8.310 nan 0.000 0.459 344 R N -0.276 120.205 120.500 -0.032 0.000 2.698 344 R HA 0.595 4.935 4.340 -0.000 0.000 0.275 344 R C -1.571 174.579 176.300 -0.250 0.000 1.001 344 R CA -0.380 55.589 56.100 -0.219 0.000 0.896 344 R CB 1.797 31.888 30.300 -0.348 0.000 1.218 344 R HN 0.135 nan 8.270 nan 0.000 0.462 345 I N 2.631 122.982 120.570 -0.365 0.000 2.406 345 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 345 I C -1.036 174.847 176.117 -0.390 0.000 0.999 345 I CA -0.587 60.576 61.300 -0.229 0.000 1.124 345 I CB 1.191 39.168 38.000 -0.038 0.000 1.289 345 I HN 0.339 nan 8.210 nan 0.000 0.441 346 F N 4.136 124.115 119.950 0.048 0.000 2.520 346 F HA 0.541 5.070 4.527 0.002 0.000 0.322 346 F C 0.071 175.915 175.800 0.073 0.000 1.103 346 F CA -0.567 57.468 58.000 0.058 0.000 0.926 346 F CB 1.879 40.914 39.000 0.058 0.000 1.154 346 F HN 0.368 nan 8.300 nan 0.000 0.453 347 Q N 3.270 123.233 119.800 0.271 0.000 2.347 347 Q HA 0.535 4.875 4.340 -0.000 0.000 0.271 347 Q C -1.670 174.450 176.000 0.201 0.000 1.064 347 Q CA -0.934 54.997 55.803 0.214 0.000 0.800 347 Q CB 2.580 31.430 28.738 0.186 0.000 1.304 347 Q HN 0.739 nan 8.270 nan 0.000 0.438 348 K N 1.608 122.121 120.400 0.188 0.000 2.469 348 K HA 0.865 5.185 4.320 -0.000 0.000 0.254 348 K C -2.106 174.607 176.600 0.188 0.000 0.939 348 K CA -0.581 55.809 56.287 0.172 0.000 0.812 348 K CB 2.153 34.736 32.500 0.137 0.000 1.301 348 K HN 0.638 nan 8.250 nan 0.000 0.433 349 A N 1.691 124.644 122.820 0.221 0.000 2.486 349 A HA 0.750 5.070 4.320 -0.000 0.000 0.300 349 A C -0.917 176.811 177.584 0.241 0.000 1.048 349 A CA -0.559 51.625 52.037 0.245 0.000 0.696 349 A CB 1.788 20.936 19.000 0.248 0.000 1.278 349 A HN 0.745 nan 8.150 nan 0.000 0.405 350 G N -0.159 108.789 108.800 0.246 0.000 2.432 350 G HA2 0.681 4.641 3.960 -0.000 0.000 0.331 350 G HA3 0.681 4.641 3.960 -0.000 0.000 0.331 350 G C -1.355 173.604 174.900 0.098 0.000 1.170 350 G CA -0.469 44.705 45.100 0.123 0.000 0.943 350 G HN 1.081 nan 8.290 nan 0.000 0.483 351 I N -0.278 120.229 120.570 -0.105 0.000 2.752 351 I HA 0.665 4.835 4.170 -0.000 0.000 0.295 351 I C -0.667 175.422 176.117 -0.046 0.000 1.219 351 I CA -0.264 60.983 61.300 -0.089 0.000 1.030 351 I CB 2.589 40.574 38.000 -0.026 0.000 1.259 351 I HN 0.497 nan 8.210 nan 0.000 0.423 352 T N 7.782 122.296 114.554 -0.067 0.000 2.916 352 T HA 0.707 5.057 4.350 -0.000 0.000 0.298 352 T C -0.835 173.730 174.700 -0.225 0.000 1.031 352 T CA -0.372 61.696 62.100 -0.054 0.000 0.993 352 T CB 1.382 70.237 68.868 -0.021 0.000 1.045 352 T HN 0.584 nan 8.240 nan 0.000 0.454 353 I N 1.362 121.675 120.570 -0.429 0.000 2.545 353 I HA 0.840 5.010 4.170 -0.000 0.000 0.292 353 I C -0.812 175.152 176.117 -0.255 0.000 1.040 353 I CA -0.851 60.242 61.300 -0.345 0.000 1.068 353 I CB 2.130 39.931 38.000 -0.330 0.000 1.251 353 I HN 0.647 nan 8.210 nan 0.000 0.424 354 N N 2.998 121.629 118.700 -0.115 0.000 3.439 354 N HA 0.320 5.060 4.740 -0.000 0.000 0.343 354 N C 0.166 175.711 175.510 0.059 0.000 1.597 354 N CA -0.612 52.336 53.050 -0.170 0.000 0.733 354 N CB 0.378 38.783 38.487 -0.135 0.000 1.973 354 N HN 0.596 nan 8.380 nan 0.000 0.646 355 E N -0.371 119.848 120.200 0.033 0.000 2.204 355 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 355 E C 1.182 178.064 176.600 0.470 0.000 0.990 355 E CA 1.162 57.707 56.400 0.242 0.000 0.821 355 E CB -0.240 29.555 29.700 0.157 0.000 0.750 355 E HN 0.490 nan 8.360 nan 0.000 0.477 356 L N -1.756 119.623 121.223 0.260 0.000 2.463 356 L HA 0.341 4.681 4.340 -0.000 0.000 0.219 356 L C 1.214 178.037 176.870 -0.078 0.000 1.088 356 L CA 0.294 55.239 54.840 0.174 0.000 0.849 356 L CB 0.239 42.323 42.059 0.041 0.000 1.012 356 L HN 0.265 nan 8.230 nan 0.000 0.468 357 G N -0.812 107.745 108.800 -0.406 0.000 2.384 357 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.150 357 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.150 357 G C -1.217 173.263 174.900 -0.699 0.000 1.269 357 G CA -0.431 43.995 45.100 -1.124 0.000 1.094 357 G HN -0.096 nan 8.290 nan 0.000 0.467 358 S N 1.476 116.795 115.700 -0.636 0.000 2.552 358 S HA 0.568 5.038 4.470 -0.000 0.000 0.314 358 S C -0.242 173.979 174.600 -0.632 0.000 1.099 358 S CA -0.147 57.715 58.200 -0.564 0.000 1.070 358 S CB 1.660 64.502 63.200 -0.597 0.000 0.998 358 S HN 0.767 nan 8.310 nan 0.000 0.474 359 E N -0.444 119.467 120.200 -0.481 0.000 2.586 359 E HA -0.233 4.117 4.350 -0.000 0.000 0.259 359 E C -0.108 175.975 176.600 -0.862 0.000 1.107 359 E CA 0.905 56.984 56.400 -0.534 0.000 0.754 359 E CB -1.915 27.544 29.700 -0.401 0.000 1.335 359 E HN 0.684 nan 8.360 nan 0.000 0.411 360 A N 0.189 122.513 122.820 -0.827 0.000 2.303 360 A HA 0.633 4.953 4.320 -0.000 0.000 0.320 360 A C -0.162 177.017 177.584 -0.676 0.000 1.192 360 A CA -0.574 51.055 52.037 -0.680 0.000 0.821 360 A CB 0.609 19.369 19.000 -0.400 0.000 1.188 360 A HN 0.199 nan 8.150 nan 0.000 0.492 361 Y N 0.717 121.000 120.300 -0.028 0.000 2.672 361 Y HA 0.587 5.137 4.550 -0.000 0.000 0.252 361 Y C 0.655 176.558 175.900 0.005 0.000 1.132 361 Y CA -0.062 58.039 58.100 0.002 0.000 1.228 361 Y CB 0.159 38.624 38.460 0.008 0.000 1.310 361 Y HN 0.813 nan 8.280 nan 0.000 0.549 362 A N 0.820 123.682 122.820 0.069 0.000 2.520 362 A HA 0.908 5.228 4.320 -0.000 0.000 0.298 362 A C -1.244 176.350 177.584 0.016 0.000 1.051 362 A CA -0.359 51.711 52.037 0.054 0.000 0.690 362 A CB 0.993 20.027 19.000 0.056 0.000 1.281 362 A HN 0.300 nan 8.150 nan 0.000 0.402 363 A N 1.446 124.282 122.820 0.028 0.000 2.457 363 A HA 0.574 4.894 4.320 -0.000 0.000 0.283 363 A C 0.782 178.380 177.584 0.023 0.000 1.166 363 A CA 0.276 52.327 52.037 0.023 0.000 0.740 363 A CB 0.169 19.194 19.000 0.041 0.000 1.181 363 A HN 1.812 nan 8.150 nan 0.000 0.446 364 T N -0.866 113.696 114.554 0.015 0.000 2.946 364 T HA -0.058 4.292 4.350 -0.000 0.000 0.271 364 T C 0.487 175.196 174.700 0.014 0.000 1.104 364 T CA 1.763 63.871 62.100 0.013 0.000 1.114 364 T CB -0.105 68.767 68.868 0.007 0.000 0.867 364 T HN 0.713 nan 8.240 nan 0.000 0.513 365 E N -0.308 119.902 120.200 0.016 0.000 2.290 365 E HA 0.530 4.880 4.350 -0.000 0.000 0.274 365 E C -0.858 175.757 176.600 0.025 0.000 0.889 365 E CA -0.821 55.588 56.400 0.016 0.000 0.760 365 E CB 1.726 31.430 29.700 0.006 0.000 1.206 365 E HN 0.306 nan 8.360 nan 0.000 0.419 376 G N 2.004 110.771 108.800 -0.054 0.000 3.639 376 G HA2 0.361 4.321 3.960 -0.000 0.000 0.279 376 G HA3 0.361 4.321 3.960 -0.000 0.000 0.279 376 G C 0.312 175.172 174.900 -0.067 0.000 1.312 376 G CA -0.207 44.862 45.100 -0.052 0.000 1.355 376 G HN 0.368 nan 8.290 nan 0.000 0.595 377 V N 1.170 121.039 119.914 -0.075 0.000 2.585 377 V HA 0.088 4.208 4.120 -0.000 0.000 0.296 377 V C 0.076 176.107 176.094 -0.106 0.000 1.035 377 V CA -0.334 61.907 62.300 -0.098 0.000 1.084 377 V CB 1.094 32.862 31.823 -0.091 0.000 0.953 377 V HN 0.371 nan 8.190 nan 0.000 0.483 378 Q N 3.878 123.575 119.800 -0.171 0.000 2.227 378 Q HA 0.588 4.928 4.340 -0.000 0.000 0.245 378 Q C -0.546 175.333 176.000 -0.201 0.000 0.926 378 Q CA -0.372 55.301 55.803 -0.215 0.000 0.895 378 Q CB 2.211 30.658 28.738 -0.486 0.000 1.230 378 Q HN 0.628 nan 8.270 nan 0.000 0.450 379 I N 1.791 122.294 120.570 -0.110 0.000 2.389 379 I HA 0.323 4.493 4.170 -0.000 0.000 0.288 379 I C -0.817 175.320 176.117 0.033 0.000 0.999 379 I CA -0.716 60.556 61.300 -0.047 0.000 1.129 379 I CB 1.003 38.982 38.000 -0.035 0.000 1.288 379 I HN 0.409 nan 8.210 nan 0.000 0.444 380 F N 7.306 127.189 119.950 -0.112 0.000 2.434 380 F HA 0.447 4.974 4.527 -0.000 0.000 0.355 380 F C -0.385 175.369 175.800 -0.077 0.000 1.115 380 F CA -0.478 57.490 58.000 -0.055 0.000 1.010 380 F CB 0.744 39.700 39.000 -0.073 0.000 1.234 380 F HN 0.368 nan 8.300 nan 0.000 0.439 381 N N 4.951 123.495 118.700 -0.259 0.000 2.696 381 N HA 0.357 5.097 4.740 -0.000 0.000 0.246 381 N C -0.957 174.421 175.510 -0.219 0.000 1.057 381 N CA -0.321 52.633 53.050 -0.160 0.000 0.867 381 N CB 1.439 39.859 38.487 -0.111 0.000 1.141 381 N HN 0.601 nan 8.380 nan 0.000 0.517 382 A N 3.348 126.063 122.820 -0.175 0.000 3.037 382 A HA 0.114 4.434 4.320 -0.000 0.000 0.272 382 A C 0.618 178.383 177.584 0.302 0.000 1.723 382 A CA -0.542 51.439 52.037 -0.094 0.000 1.413 382 A CB -0.891 17.927 19.000 -0.304 0.000 1.112 382 A HN 0.688 nan 8.150 nan 0.000 0.606 383 N N 1.175 119.987 118.700 0.186 0.000 2.321 383 N HA 0.082 4.822 4.740 -0.000 0.000 0.242 383 N C 0.059 175.405 175.510 -0.274 0.000 1.141 383 N CA -0.341 52.858 53.050 0.248 0.000 0.864 383 N CB -0.056 38.532 38.487 0.169 0.000 1.100 383 N HN 0.755 nan 8.380 nan 0.000 0.510 384 R N -2.163 118.165 120.500 -0.287 0.000 2.795 384 R HA 0.643 4.983 4.340 -0.000 0.000 0.268 384 R C -3.288 173.026 176.300 0.023 0.000 1.041 384 R CA -1.723 54.056 56.100 -0.534 0.000 0.927 384 R CB 0.014 30.206 30.300 -0.179 0.000 1.235 384 R HN -0.204 nan 8.270 nan 0.000 0.463 385 P HA 0.127 nan 4.420 nan 0.000 0.269 385 P C -1.234 176.259 177.300 0.323 0.000 1.209 385 P CA 0.076 63.342 63.100 0.277 0.000 0.776 385 P CB 0.218 31.990 31.700 0.120 0.000 0.876 386 F N -0.350 119.738 119.950 0.231 0.000 2.711 386 F HA 0.679 5.206 4.527 0.000 0.000 0.313 386 F C -1.356 174.598 175.800 0.257 0.000 1.141 386 F CA -1.400 56.757 58.000 0.262 0.000 0.941 386 F CB 0.724 39.947 39.000 0.372 0.000 1.349 386 F HN 0.000 nan 8.300 nan 0.000 0.464 387 I N 2.134 123.030 120.570 0.543 0.000 2.525 387 I HA 0.594 4.764 4.170 -0.000 0.000 0.301 387 I C -0.914 175.584 176.117 0.635 0.000 0.992 387 I CA -0.911 60.627 61.300 0.397 0.000 1.162 387 I CB 1.743 39.971 38.000 0.380 0.000 1.332 387 I HN 0.684 nan 8.210 nan 0.000 0.458 388 F N 4.280 124.483 119.950 0.422 0.000 2.613 388 F HA 0.864 5.390 4.527 -0.001 0.000 0.314 388 F C -1.317 174.713 175.800 0.382 0.000 1.075 388 F CA -1.277 56.882 58.000 0.266 0.000 0.945 388 F CB 1.544 40.632 39.000 0.147 0.000 1.310 388 F HN 0.317 nan 8.300 nan 0.000 0.467 389 F N -0.077 120.064 119.950 0.319 0.000 2.654 389 F HA 0.809 5.336 4.527 -0.000 0.000 0.308 389 F C -2.088 173.907 175.800 0.326 0.000 1.108 389 F CA -1.732 56.436 58.000 0.279 0.000 0.957 389 F CB 1.379 40.475 39.000 0.160 0.000 1.309 389 F HN 0.520 nan 8.300 nan 0.000 0.446 390 I N 1.933 122.785 120.570 0.470 0.000 2.404 390 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 390 I C -0.804 175.501 176.117 0.314 0.000 0.992 390 I CA -0.527 60.940 61.300 0.278 0.000 1.149 390 I CB 1.961 40.020 38.000 0.098 0.000 1.315 390 I HN 0.836 nan 8.210 nan 0.000 0.446 391 E N 5.480 125.834 120.200 0.258 0.000 2.288 391 E HA 0.185 4.535 4.350 -0.000 0.000 0.268 391 E C -1.323 175.304 176.600 0.044 0.000 0.885 391 E CA -0.768 55.752 56.400 0.199 0.000 0.767 391 E CB 1.991 31.904 29.700 0.355 0.000 1.220 391 E HN 0.475 nan 8.360 nan 0.000 0.427 392 D N 3.322 123.683 120.400 -0.066 0.000 2.344 392 D HA 0.008 4.648 4.640 -0.000 0.000 0.253 392 D C 0.167 176.410 176.300 -0.095 0.000 1.255 392 D CA 0.280 54.216 54.000 -0.108 0.000 0.894 392 D CB 0.925 41.613 40.800 -0.186 0.000 1.067 392 D HN 0.503 nan 8.370 nan 0.000 0.492 393 E N 1.504 121.711 120.200 0.012 0.000 2.511 393 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 393 E C 1.507 178.203 176.600 0.160 0.000 1.066 393 E CA 0.507 56.971 56.400 0.106 0.000 0.871 393 E CB 0.258 30.058 29.700 0.168 0.000 0.863 393 E HN 0.596 nan 8.360 nan 0.000 0.520 394 T N -1.938 112.657 114.554 0.067 0.000 3.054 394 T HA 0.078 4.428 4.350 -0.000 0.000 0.259 394 T C 1.634 176.395 174.700 0.103 0.000 1.092 394 T CA 0.325 62.505 62.100 0.134 0.000 1.121 394 T CB 0.130 69.046 68.868 0.081 0.000 0.912 394 T HN 0.077 nan 8.240 nan 0.000 0.489 395 L N -0.616 120.489 121.223 -0.196 0.000 3.128 395 L HA 0.501 4.841 4.340 -0.000 0.000 0.277 395 L C 1.813 178.192 176.870 -0.818 0.000 1.171 395 L CA 0.217 54.866 54.840 -0.318 0.000 1.008 395 L CB 0.625 42.550 42.059 -0.224 0.000 1.442 395 L HN 0.481 nan 8.230 nan 0.000 0.584 396 G N 0.537 108.653 108.800 -1.140 0.000 2.175 396 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 396 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 396 G C 0.328 174.983 174.900 -0.409 0.000 0.982 396 G CA 0.261 44.728 45.100 -1.055 0.000 0.641 396 G HN 0.224 nan 8.290 nan 0.000 0.527 397 T N 1.268 115.607 114.554 -0.359 0.000 2.867 397 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 397 T C 0.746 175.363 174.700 -0.139 0.000 0.989 397 T CA 0.355 62.272 62.100 -0.305 0.000 1.159 397 T CB 1.223 69.760 68.868 -0.551 0.000 0.928 397 T HN 0.315 nan 8.240 nan 0.000 0.538 398 M N 4.925 124.508 119.600 -0.029 0.000 2.664 398 M HA 0.242 4.722 4.480 -0.000 0.000 0.332 398 M C 0.453 176.830 176.300 0.128 0.000 1.354 398 M CA -0.345 54.995 55.300 0.068 0.000 1.399 398 M CB -0.317 32.288 32.600 0.009 0.000 1.224 398 M HN 0.669 nan 8.290 nan 0.000 0.479 399 L N 3.373 124.669 121.223 0.122 0.000 2.131 399 L HA 0.137 4.477 4.340 -0.000 0.000 0.206 399 L C -0.104 176.776 176.870 0.017 0.000 1.087 399 L CA 0.841 55.735 54.840 0.090 0.000 0.767 399 L CB 0.071 42.169 42.059 0.064 0.000 0.917 399 L HN 0.472 nan 8.230 nan 0.000 0.441 400 F N -1.001 119.031 119.950 0.136 0.000 2.576 400 F HA 0.678 5.205 4.527 -0.000 0.000 0.313 400 F C -0.062 175.864 175.800 0.210 0.000 1.078 400 F CA -0.833 57.279 58.000 0.186 0.000 0.921 400 F CB 1.769 40.908 39.000 0.230 0.000 1.232 400 F HN -0.301 nan 8.300 nan 0.000 0.459 401 A N 1.426 124.433 122.820 0.311 0.000 2.486 401 A HA 0.947 5.267 4.320 -0.000 0.000 0.300 401 A C -0.770 176.822 177.584 0.013 0.000 1.048 401 A CA -0.247 51.885 52.037 0.158 0.000 0.696 401 A CB 1.723 20.761 19.000 0.063 0.000 1.278 401 A HN 1.131 nan 8.150 nan 0.000 0.405 402 G N 0.314 108.900 108.800 -0.356 0.000 2.550 402 G HA2 0.685 4.645 3.960 -0.000 0.000 0.293 402 G HA3 0.685 4.645 3.960 -0.000 0.000 0.293 402 G C -1.450 172.940 174.900 -0.850 0.000 1.402 402 G CA -0.293 44.465 45.100 -0.570 0.000 0.784 402 G HN 1.189 nan 8.290 nan 0.000 0.482 403 K N -1.186 118.711 120.400 -0.838 0.000 2.512 403 K HA 0.762 5.082 4.320 -0.000 0.000 0.263 403 K C -1.435 174.859 176.600 -0.509 0.000 0.966 403 K CA -1.024 54.864 56.287 -0.666 0.000 0.851 403 K CB 2.450 34.367 32.500 -0.972 0.000 1.395 403 K HN 0.279 nan 8.250 nan 0.000 0.440 404 I N 2.745 122.951 120.570 -0.606 0.000 2.355 404 I HA 0.179 4.349 4.170 -0.000 0.000 0.288 404 I C 0.444 176.274 176.117 -0.477 0.000 0.999 404 I CA -0.301 60.558 61.300 -0.736 0.000 1.163 404 I CB 1.386 38.679 38.000 -1.179 0.000 1.316 404 I HN 0.851 nan 8.210 nan 0.000 0.454 405 E N 3.522 123.488 120.200 -0.390 0.000 2.389 405 E HA 0.070 4.420 4.350 -0.000 0.000 0.199 405 E C 0.091 176.621 176.600 -0.117 0.000 0.978 405 E CA 0.372 56.677 56.400 -0.158 0.000 0.912 405 E CB 0.616 30.216 29.700 -0.167 0.000 0.907 405 E HN 0.519 nan 8.360 nan 0.000 0.494 406 N N 0.885 119.357 118.700 -0.379 0.000 2.969 406 N HA 0.095 4.835 4.740 -0.000 0.000 0.230 406 N C -2.999 172.209 175.510 -0.502 0.000 1.397 406 N CA -1.284 51.508 53.050 -0.430 0.000 0.762 406 N CB 1.200 39.564 38.487 -0.206 0.000 1.495 406 N HN -0.237 nan 8.380 nan 0.000 0.583 407 P HA 0.181 nan 4.420 nan 0.000 0.276 407 P C -0.667 176.531 177.300 -0.170 0.000 1.253 407 P CA -0.188 62.689 63.100 -0.371 0.000 0.766 407 P CB 1.235 32.730 31.700 -0.341 0.000 0.845 408 V N 5.510 125.418 119.914 -0.010 0.000 2.540 408 V HA 0.458 4.578 4.120 -0.000 0.000 0.302 408 V C -0.147 176.079 176.094 0.220 0.000 1.035 408 V CA -0.484 61.853 62.300 0.062 0.000 0.873 408 V CB 1.521 33.358 31.823 0.023 0.000 0.992 408 V HN 0.478 nan 8.190 nan 0.000 0.428 409 F N 0.000 119.971 119.950 0.036 0.000 2.286 409 F HA 0.000 4.528 4.527 0.001 0.000 0.279 409 F CA 0.000 58.031 58.000 0.051 0.000 1.383 409 F CB 0.000 39.007 39.000 0.012 0.000 1.145 409 F HN 0.000 nan 8.300 nan 0.000 0.574