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 2b81_1_D DATA FIRST_RESID 3 DATA SEQUENCE HXEKFANHFG YNRXFAKDQL TLGVHIPIEN YQFHAPTXEK QVELVQKAEQ DATA SEQUENCE YGFTGVWLRD VLLQDPDFGD PATGQIYDXX IYLTYLASKT EKIAFGTSAT DATA SEQUENCE VLSLRHPLRV AKEIATLDQL FPERIXLGVS SGDRRADFKA LGVSHETRGE DATA SEQUENCE KFREAFAYLE EILYKNFPSI QSTLGEVHGA NLVPKPSKRV PTFITGFSQQ DATA SEQUENCE NXEWFAEHGD GWXYYPRSPV HQAGAIGQWR ELVEDYHPDV FKPFIQPXHL DATA SEQUENCE DLSEDPNERP TPIRLGYRTG RKALIELLDI YKSIGVNHLF LALFDGQRPA DATA SEQUENCE DEVLDELGEE VLPHFPAL 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.269 175.328 -0.098 0.000 0.993 3 H CA 0.000 55.974 56.048 -0.123 0.000 1.023 3 H CB 0.000 29.722 29.762 -0.066 0.000 1.292 6 K N 0.459 120.640 120.400 -0.366 0.000 2.103 6 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 6 K C 0.125 176.165 176.600 -0.934 0.000 1.048 6 K CA 1.398 57.258 56.287 -0.711 0.000 0.930 6 K CB 0.032 31.915 32.500 -1.027 0.000 0.716 6 K HN 0.211 nan 8.250 nan 0.000 0.444 7 F N -0.708 119.056 119.950 -0.311 0.000 2.791 7 F HA 0.332 4.859 4.527 -0.000 0.000 0.308 7 F C 1.276 177.033 175.800 -0.071 0.000 1.138 7 F CA -0.343 57.468 58.000 -0.316 0.000 1.294 7 F CB 0.564 38.992 39.000 -0.954 0.000 0.975 7 F HN -0.043 nan 8.300 nan 0.000 0.512 8 A N 0.613 123.467 122.820 0.057 0.000 1.997 8 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 8 A C 1.330 179.005 177.584 0.151 0.000 1.172 8 A CA 2.042 54.141 52.037 0.104 0.000 0.645 8 A CB -0.600 18.429 19.000 0.048 0.000 0.813 8 A HN 0.541 nan 8.150 nan 0.000 0.454 9 N N -1.926 116.871 118.700 0.162 0.000 2.416 9 N HA 0.209 4.949 4.740 -0.000 0.000 0.267 9 N C -0.490 175.164 175.510 0.240 0.000 1.294 9 N CA -0.136 53.018 53.050 0.174 0.000 0.891 9 N CB 0.346 38.901 38.487 0.114 0.000 1.238 9 N HN 0.595 nan 8.380 nan 0.000 0.508 10 H N -0.046 119.160 119.070 0.227 0.000 2.641 10 H HA 0.128 4.684 4.556 -0.000 0.000 0.295 10 H C 0.754 176.266 175.328 0.307 0.000 1.070 10 H CA -0.666 55.552 56.048 0.283 0.000 1.257 10 H CB 0.229 30.196 29.762 0.342 0.000 1.393 10 H HN 0.127 nan 8.280 nan 0.000 0.464 11 F N 3.908 123.854 119.950 -0.007 0.000 2.043 11 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 11 F C 2.144 178.027 175.800 0.138 0.000 1.118 11 F CA 2.489 60.517 58.000 0.048 0.000 1.202 11 F CB -0.588 38.395 39.000 -0.028 0.000 0.965 11 F HN 0.657 nan 8.300 nan 0.000 0.482 12 G N -1.855 107.033 108.800 0.146 0.000 2.408 12 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.217 12 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.217 12 G C 1.569 176.534 174.900 0.109 0.000 1.150 12 G CA 0.786 45.914 45.100 0.046 0.000 0.776 12 G HN 0.565 nan 8.290 nan 0.000 0.542 13 Y N 1.854 122.375 120.300 0.368 0.000 2.145 13 Y HA -0.145 4.405 4.550 -0.000 0.000 0.286 13 Y C 2.643 178.646 175.900 0.172 0.000 1.145 13 Y CA 2.013 60.252 58.100 0.232 0.000 1.148 13 Y CB 0.008 38.521 38.460 0.087 0.000 0.981 13 Y HN 0.136 nan 8.280 nan 0.000 0.507 14 N N 0.458 119.380 118.700 0.369 0.000 2.331 14 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 14 N C 0.866 176.366 175.510 -0.017 0.000 1.019 14 N CA 0.615 53.800 53.050 0.225 0.000 0.881 14 N CB -0.313 38.316 38.487 0.238 0.000 0.972 14 N HN 0.314 nan 8.380 nan 0.000 0.435 18 A N 2.633 125.637 122.820 0.305 0.000 2.594 18 A HA 0.603 4.923 4.320 -0.000 0.000 0.296 18 A C -1.393 176.007 177.584 -0.307 0.000 1.061 18 A CA -1.001 51.045 52.037 0.015 0.000 0.689 18 A CB 1.830 20.843 19.000 0.021 0.000 1.280 18 A HN 0.728 nan 8.150 nan 0.000 0.406 19 K N 1.318 121.167 120.400 -0.919 0.000 2.511 19 K HA 0.112 4.432 4.320 -0.000 0.000 0.280 19 K C -0.317 176.144 176.600 -0.232 0.000 1.008 19 K CA 1.309 57.095 56.287 -0.835 0.000 1.050 19 K CB -0.007 32.068 32.500 -0.709 0.000 0.889 19 K HN 0.636 nan 8.250 nan 0.000 0.484 20 D N 1.296 121.663 120.400 -0.056 0.000 3.059 20 D HA -0.188 4.452 4.640 -0.000 0.000 0.213 20 D C -0.498 175.838 176.300 0.061 0.000 1.144 20 D CA 1.227 55.245 54.000 0.031 0.000 0.975 20 D CB -0.391 40.413 40.800 0.008 0.000 1.125 20 D HN 0.570 nan 8.370 nan 0.000 0.412 21 Q N -0.170 119.673 119.800 0.071 0.000 2.215 21 Q HA 0.692 5.031 4.340 -0.000 0.000 0.256 21 Q C -0.030 176.077 176.000 0.178 0.000 0.972 21 Q CA -0.738 55.132 55.803 0.113 0.000 0.889 21 Q CB 2.288 31.076 28.738 0.083 0.000 1.281 21 Q HN 0.263 nan 8.270 nan 0.000 0.456 22 L N 0.654 121.999 121.223 0.203 0.000 2.386 22 L HA 0.617 4.956 4.340 -0.000 0.000 0.271 22 L C -0.677 176.296 176.870 0.173 0.000 0.993 22 L CA -0.077 54.877 54.840 0.189 0.000 0.819 22 L CB 2.178 44.334 42.059 0.161 0.000 1.294 22 L HN 0.795 nan 8.230 nan 0.000 0.414 23 T N 2.129 116.743 114.554 0.100 0.000 2.930 23 T HA 0.752 5.102 4.350 -0.000 0.000 0.290 23 T C -0.524 174.097 174.700 -0.131 0.000 1.052 23 T CA -0.849 61.287 62.100 0.060 0.000 1.017 23 T CB 1.269 70.200 68.868 0.105 0.000 1.137 23 T HN 0.542 nan 8.240 nan 0.000 0.511 24 L N 0.701 121.833 121.223 -0.153 0.000 2.334 24 L HA 0.828 5.168 4.340 -0.000 0.000 0.273 24 L C 0.692 177.643 176.870 0.135 0.000 1.013 24 L CA -0.884 53.813 54.840 -0.238 0.000 0.816 24 L CB 1.968 43.843 42.059 -0.307 0.000 1.278 24 L HN 1.056 nan 8.230 nan 0.000 0.431 25 G N 0.491 109.435 108.800 0.240 0.000 2.818 25 G HA2 0.731 4.691 3.960 -0.000 0.000 0.286 25 G HA3 0.731 4.691 3.960 -0.000 0.000 0.286 25 G C -1.266 173.918 174.900 0.474 0.000 1.364 25 G CA -0.563 44.907 45.100 0.617 0.000 0.938 25 G HN 0.471 nan 8.290 nan 0.000 0.490 26 V N -2.288 117.780 119.914 0.256 0.000 2.604 26 V HA 0.618 4.738 4.120 -0.000 0.000 0.305 26 V C -0.527 175.751 176.094 0.306 0.000 1.043 26 V CA -1.213 61.146 62.300 0.099 0.000 0.888 26 V CB 1.552 33.231 31.823 -0.240 0.000 0.995 26 V HN 0.818 nan 8.190 nan 0.000 0.429 27 H N 3.805 123.033 119.070 0.264 0.000 2.511 27 H HA 0.574 5.130 4.556 -0.000 0.000 0.346 27 H C -0.714 174.821 175.328 0.346 0.000 1.128 27 H CA -0.841 55.430 56.048 0.372 0.000 1.342 27 H CB 1.716 31.646 29.762 0.281 0.000 1.470 27 H HN 0.562 nan 8.280 nan 0.000 0.546 28 I N 5.663 126.665 120.570 0.719 0.000 2.428 28 I HA 0.191 4.361 4.170 -0.000 0.000 0.296 28 I C -2.139 174.263 176.117 0.475 0.000 0.985 28 I CA -2.450 59.150 61.300 0.500 0.000 1.260 28 I CB 1.257 39.495 38.000 0.396 0.000 1.389 28 I HN 0.387 nan 8.210 nan 0.000 0.484 29 P HA 0.281 nan 4.420 nan 0.000 0.279 29 P C -0.172 177.366 177.300 0.396 0.000 1.239 29 P CA -0.302 62.961 63.100 0.272 0.000 0.789 29 P CB 0.595 32.340 31.700 0.074 0.000 0.933 30 I N 2.435 123.171 120.570 0.277 0.000 2.366 30 I HA 0.162 4.332 4.170 -0.000 0.000 0.302 30 I C 0.849 177.084 176.117 0.196 0.000 1.194 30 I CA 0.693 62.117 61.300 0.206 0.000 1.667 30 I CB -0.827 37.238 38.000 0.110 0.000 1.501 30 I HN 0.384 nan 8.210 nan 0.000 0.776 31 E N 4.613 124.971 120.200 0.263 0.000 2.422 31 E HA 0.108 4.458 4.350 -0.000 0.000 0.289 31 E C -0.960 175.793 176.600 0.254 0.000 0.985 31 E CA -0.740 55.803 56.400 0.237 0.000 0.812 31 E CB 1.214 31.057 29.700 0.239 0.000 1.226 31 E HN 0.598 nan 8.360 nan 0.000 0.419 32 N N 3.704 122.481 118.700 0.129 0.000 3.298 32 N HA 0.081 4.821 4.740 -0.000 0.000 0.292 32 N C 0.496 175.998 175.510 -0.013 0.000 1.271 32 N CA -0.341 52.712 53.050 0.005 0.000 1.184 32 N CB -0.074 38.406 38.487 -0.011 0.000 1.452 32 N HN 0.491 nan 8.380 nan 0.000 0.534 33 Y N -0.137 120.171 120.300 0.015 0.000 2.516 33 Y HA 0.088 4.638 4.550 -0.000 0.000 0.291 33 Y C 1.225 177.095 175.900 -0.050 0.000 1.131 33 Y CA -0.250 57.847 58.100 -0.005 0.000 1.281 33 Y CB -0.271 38.163 38.460 -0.044 0.000 1.013 33 Y HN 0.322 nan 8.280 nan 0.000 0.554 34 Q N -0.490 118.987 119.800 -0.539 0.000 2.210 34 Q HA -0.349 3.991 4.340 -0.000 0.000 0.400 34 Q C 0.940 176.591 176.000 -0.582 0.000 0.660 34 Q CA 2.444 57.890 55.803 -0.595 0.000 0.981 34 Q CB -1.790 26.706 28.738 -0.404 0.000 2.203 34 Q HN 0.534 nan 8.270 nan 0.000 0.888 35 F N -0.344 119.510 119.950 -0.160 0.000 2.721 35 F HA 0.221 4.748 4.527 -0.000 0.000 0.301 35 F C 1.006 176.648 175.800 -0.262 0.000 1.096 35 F CA -0.158 57.708 58.000 -0.224 0.000 1.308 35 F CB 0.452 39.267 39.000 -0.308 0.000 1.086 35 F HN 0.191 nan 8.300 nan 0.000 0.587 36 H N 0.033 119.247 119.070 0.239 0.000 2.544 36 H HA 0.605 5.161 4.556 -0.000 0.000 0.342 36 H C 0.077 175.483 175.328 0.131 0.000 1.185 36 H CA -1.063 55.082 56.048 0.161 0.000 1.264 36 H CB 1.108 30.941 29.762 0.119 0.000 1.607 36 H HN -0.017 nan 8.280 nan 0.000 0.550 37 A N 2.802 125.712 122.820 0.151 0.000 2.511 37 A HA 0.243 4.563 4.320 -0.000 0.000 0.242 37 A C -1.994 175.534 177.584 -0.094 0.000 1.069 37 A CA -0.906 51.101 52.037 -0.050 0.000 0.763 37 A CB -0.589 18.372 19.000 -0.065 0.000 1.001 37 A HN 0.405 nan 8.150 nan 0.000 0.498 38 P HA 0.278 nan 4.420 nan 0.000 0.277 38 P C 0.411 177.617 177.300 -0.156 0.000 1.240 38 P CA -0.156 62.800 63.100 -0.240 0.000 0.798 38 P CB 0.690 32.080 31.700 -0.517 0.000 0.979 42 K N 0.476 120.942 120.400 0.111 0.000 3.472 42 K HA -0.299 4.020 4.320 -0.000 0.000 0.315 42 K C 1.212 177.874 176.600 0.103 0.000 1.320 42 K CA 1.116 57.459 56.287 0.093 0.000 0.962 42 K CB -0.789 31.755 32.500 0.074 0.000 1.251 42 K HN 0.447 nan 8.250 nan 0.000 0.443 43 Q N 0.281 120.174 119.800 0.154 0.000 2.112 43 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 43 Q C 2.008 178.061 176.000 0.088 0.000 0.987 43 Q CA 2.033 57.935 55.803 0.165 0.000 0.858 43 Q CB -0.252 28.668 28.738 0.302 0.000 0.905 43 Q HN 0.409 nan 8.270 nan 0.000 0.420 44 V N 1.314 121.269 119.914 0.069 0.000 2.295 44 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 44 V C 2.391 178.471 176.094 -0.024 0.000 1.049 44 V CA 2.084 64.367 62.300 -0.028 0.000 1.024 44 V CB -0.607 31.174 31.823 -0.071 0.000 0.648 44 V HN 0.441 nan 8.190 nan 0.000 0.447 45 E N -0.052 120.149 120.200 0.003 0.000 2.085 45 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 45 E C 2.230 178.821 176.600 -0.015 0.000 0.994 45 E CA 1.500 57.896 56.400 -0.007 0.000 0.801 45 E CB -0.112 29.595 29.700 0.013 0.000 0.743 45 E HN 0.569 nan 8.360 nan 0.000 0.453 46 L N 0.111 121.338 121.223 0.007 0.000 2.056 46 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 46 L C 2.554 179.404 176.870 -0.034 0.000 1.078 46 L CA 0.560 55.402 54.840 0.002 0.000 0.749 46 L CB -0.217 41.863 42.059 0.035 0.000 0.901 46 L HN 0.077 nan 8.230 nan 0.000 0.433 47 V N -0.418 119.478 119.914 -0.030 0.000 2.490 47 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 47 V C 2.392 178.449 176.094 -0.062 0.000 1.061 47 V CA 1.630 63.898 62.300 -0.053 0.000 1.064 47 V CB -0.383 31.439 31.823 -0.003 0.000 0.670 47 V HN 0.508 nan 8.190 nan 0.000 0.461 48 Q N -0.649 119.118 119.800 -0.056 0.000 2.123 48 Q HA -0.181 4.159 4.340 -0.000 0.000 0.199 48 Q C 2.307 178.246 176.000 -0.103 0.000 0.966 48 Q CA 1.276 57.039 55.803 -0.066 0.000 0.845 48 Q CB -0.116 28.584 28.738 -0.064 0.000 0.907 48 Q HN 0.561 nan 8.270 nan 0.000 0.439 49 K N 0.535 120.858 120.400 -0.128 0.000 2.001 49 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 49 K C 2.139 178.604 176.600 -0.225 0.000 1.048 49 K CA 1.110 57.244 56.287 -0.255 0.000 0.932 49 K CB -0.206 32.168 32.500 -0.209 0.000 0.715 49 K HN 0.143 nan 8.250 nan 0.000 0.437 50 A N 1.507 124.289 122.820 -0.062 0.000 1.917 50 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 50 A C 2.057 179.742 177.584 0.168 0.000 1.182 50 A CA 2.129 54.187 52.037 0.035 0.000 0.633 50 A CB -0.606 18.210 19.000 -0.306 0.000 0.819 50 A HN 0.511 nan 8.150 nan 0.000 0.448 51 E N -0.621 119.592 120.200 0.023 0.000 2.051 51 E HA -0.291 4.059 4.350 -0.000 0.000 0.192 51 E C 2.213 178.849 176.600 0.060 0.000 0.991 51 E CA 1.432 57.856 56.400 0.040 0.000 0.799 51 E CB -0.261 29.435 29.700 -0.008 0.000 0.748 51 E HN 0.764 nan 8.360 nan 0.000 0.449 52 Q N -0.455 119.331 119.800 -0.024 0.000 2.084 52 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 52 Q C 1.798 177.836 176.000 0.063 0.000 0.978 52 Q CA 1.691 57.467 55.803 -0.045 0.000 0.844 52 Q CB -0.248 28.386 28.738 -0.175 0.000 0.898 52 Q HN 0.547 nan 8.270 nan 0.000 0.426 53 Y N -1.087 119.288 120.300 0.125 0.000 2.569 53 Y HA -0.085 4.465 4.550 -0.000 0.000 0.293 53 Y C 1.481 177.417 175.900 0.060 0.000 1.144 53 Y CA 0.123 58.296 58.100 0.122 0.000 1.321 53 Y CB 0.317 38.918 38.460 0.235 0.000 0.982 53 Y HN 0.496 nan 8.280 nan 0.000 0.558 54 G N -0.664 108.275 108.800 0.232 0.000 2.144 54 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 54 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 54 G C -0.029 174.912 174.900 0.068 0.000 0.988 54 G CA -0.562 44.601 45.100 0.104 0.000 0.659 54 G HN 0.175 nan 8.290 nan 0.000 0.522 55 F N 1.222 121.220 119.950 0.080 0.000 2.595 55 F HA 0.353 4.880 4.527 -0.000 0.000 0.359 55 F C 2.146 177.954 175.800 0.015 0.000 1.147 55 F CA 1.538 59.573 58.000 0.059 0.000 1.341 55 F CB 1.032 40.066 39.000 0.058 0.000 1.104 55 F HN 0.133 nan 8.300 nan 0.000 0.603 56 T N -1.323 113.376 114.554 0.242 0.000 2.990 56 T HA 0.417 4.767 4.350 -0.000 0.000 0.250 56 T C 0.553 175.199 174.700 -0.088 0.000 1.041 56 T CA 0.288 62.416 62.100 0.047 0.000 1.010 56 T CB 0.070 68.921 68.868 -0.027 0.000 1.003 56 T HN 0.723 nan 8.240 nan 0.000 0.499 57 G N 0.408 109.211 108.800 0.006 0.000 2.706 57 G HA2 0.580 4.540 3.960 -0.000 0.000 0.297 57 G HA3 0.580 4.540 3.960 -0.000 0.000 0.297 57 G C -1.821 172.872 174.900 -0.346 0.000 1.403 57 G CA -0.623 44.285 45.100 -0.321 0.000 0.954 57 G HN 0.232 nan 8.290 nan 0.000 0.500 58 V N 0.616 120.038 119.914 -0.820 0.000 2.540 58 V HA 0.658 4.778 4.120 -0.000 0.000 0.302 58 V C -1.193 174.481 176.094 -0.700 0.000 1.035 58 V CA -0.650 61.278 62.300 -0.620 0.000 0.873 58 V CB 1.528 32.843 31.823 -0.847 0.000 0.992 58 V HN 0.724 nan 8.190 nan 0.000 0.428 59 W N 4.696 125.826 121.300 -0.283 0.000 2.702 59 W HA 0.828 5.488 4.660 -0.000 0.000 0.331 59 W C -0.827 175.633 176.519 -0.098 0.000 1.049 59 W CA -0.477 56.647 57.345 -0.369 0.000 1.230 59 W CB 1.605 30.452 29.460 -1.022 0.000 1.408 59 W HN 0.301 nan 8.180 nan 0.000 0.492 60 L N 2.329 123.677 121.223 0.209 0.000 2.301 60 L HA 0.679 5.019 4.340 -0.000 0.000 0.264 60 L C 0.111 177.162 176.870 0.301 0.000 1.016 60 L CA -1.146 53.869 54.840 0.291 0.000 0.821 60 L CB 1.485 43.690 42.059 0.244 0.000 1.346 60 L HN 0.330 nan 8.230 nan 0.000 0.429 61 R N -0.415 120.266 120.500 0.302 0.000 2.873 61 R HA 0.485 4.825 4.340 -0.000 0.000 0.264 61 R C -1.376 175.018 176.300 0.158 0.000 1.026 61 R CA -0.932 55.317 56.100 0.249 0.000 1.002 61 R CB 1.468 31.928 30.300 0.266 0.000 1.174 61 R HN 0.446 nan 8.270 nan 0.000 0.488 62 D N 1.333 121.805 120.400 0.120 0.000 2.479 62 D HA 0.292 4.932 4.640 -0.000 0.000 0.247 62 D C -1.478 174.834 176.300 0.020 0.000 1.119 62 D CA -0.276 53.770 54.000 0.076 0.000 0.922 62 D CB 0.850 41.703 40.800 0.088 0.000 1.014 62 D HN 0.115 nan 8.370 nan 0.000 0.510 63 V N 4.599 124.508 119.914 -0.009 0.000 2.577 63 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 63 V C 1.072 177.132 176.094 -0.057 0.000 1.042 63 V CA -0.665 61.597 62.300 -0.063 0.000 0.872 63 V CB 1.754 33.509 31.823 -0.113 0.000 0.998 63 V HN 0.412 nan 8.190 nan 0.000 0.423 64 L N 3.548 124.734 121.223 -0.062 0.000 2.117 64 L HA 0.297 4.637 4.340 -0.000 0.000 0.200 64 L C 0.407 177.242 176.870 -0.057 0.000 1.110 64 L CA 0.863 55.672 54.840 -0.051 0.000 0.774 64 L CB 0.075 42.106 42.059 -0.045 0.000 0.934 64 L HN 0.390 nan 8.230 nan 0.000 0.456 65 L N 0.554 121.744 121.223 -0.056 0.000 2.334 65 L HA 0.226 4.566 4.340 -0.000 0.000 0.277 65 L C 0.187 177.022 176.870 -0.059 0.000 1.075 65 L CA -0.260 54.552 54.840 -0.047 0.000 0.804 65 L CB 1.114 43.157 42.059 -0.026 0.000 1.174 65 L HN 0.226 nan 8.230 nan 0.000 0.438 66 Q N 2.515 122.286 119.800 -0.049 0.000 2.271 66 Q HA 0.021 4.361 4.340 -0.000 0.000 0.273 66 Q C -1.193 174.803 176.000 -0.007 0.000 1.051 66 Q CA 0.008 55.788 55.803 -0.038 0.000 0.901 66 Q CB 0.715 29.430 28.738 -0.038 0.000 1.174 66 Q HN 0.438 nan 8.270 nan 0.000 0.385 67 D N 5.301 125.712 120.400 0.019 0.000 2.549 67 D HA 0.306 4.945 4.640 -0.000 0.000 0.251 67 D C -2.098 174.260 176.300 0.096 0.000 1.153 67 D CA -2.261 51.775 54.000 0.060 0.000 0.861 67 D CB 1.925 42.777 40.800 0.086 0.000 1.207 67 D HN 0.335 nan 8.370 nan 0.000 0.543 68 P HA -0.065 nan 4.420 nan 0.000 0.215 68 P C 0.583 177.925 177.300 0.071 0.000 1.153 68 P CA 0.747 63.883 63.100 0.061 0.000 0.853 68 P CB 0.400 32.121 31.700 0.036 0.000 0.788 69 D N -1.556 118.886 120.400 0.070 0.000 2.190 69 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 69 D C 1.571 177.915 176.300 0.074 0.000 0.992 69 D CA 0.943 54.978 54.000 0.057 0.000 0.854 69 D CB -0.877 39.954 40.800 0.051 0.000 0.936 69 D HN 0.179 nan 8.370 nan 0.000 0.462 70 F N 0.187 120.138 119.950 0.002 0.000 2.293 70 F HA 0.114 4.641 4.527 -0.000 0.000 0.297 70 F C 1.691 177.498 175.800 0.011 0.000 1.089 70 F CA 1.319 59.322 58.000 0.005 0.000 1.377 70 F CB 0.242 39.249 39.000 0.011 0.000 1.051 70 F HN 0.097 nan 8.300 nan 0.000 0.511 71 G N 1.263 110.155 108.800 0.154 0.000 2.225 71 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 71 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 71 G C -0.509 174.510 174.900 0.197 0.000 1.060 71 G CA 0.402 45.566 45.100 0.107 0.000 0.833 71 G HN 0.462 nan 8.290 nan 0.000 0.498 72 D N 0.016 120.599 120.400 0.304 0.000 2.464 72 D HA 0.494 5.133 4.640 -0.000 0.000 0.243 72 D C -0.342 176.026 176.300 0.113 0.000 1.104 72 D CA -2.141 52.005 54.000 0.244 0.000 0.883 72 D CB 1.305 42.283 40.800 0.296 0.000 1.050 72 D HN 0.098 nan 8.370 nan 0.000 0.524 73 P HA 0.024 nan 4.420 nan 0.000 0.234 73 P C 0.700 177.919 177.300 -0.135 0.000 1.167 73 P CA 0.293 63.420 63.100 0.045 0.000 0.763 73 P CB 0.415 32.199 31.700 0.139 0.000 0.835 74 A N -0.712 121.962 122.820 -0.243 0.000 2.220 74 A HA 0.163 4.482 4.320 -0.000 0.000 0.211 74 A C 0.810 178.205 177.584 -0.315 0.000 1.176 74 A CA 0.600 52.341 52.037 -0.494 0.000 0.834 74 A CB -1.038 17.463 19.000 -0.833 0.000 0.868 74 A HN 0.128 nan 8.150 nan 0.000 0.488 75 T N 0.070 114.511 114.554 -0.188 0.000 3.506 75 T HA -0.069 4.281 4.350 -0.000 0.000 0.407 75 T C 1.609 176.214 174.700 -0.160 0.000 0.766 75 T CA 1.263 63.268 62.100 -0.158 0.000 2.070 75 T CB -2.144 66.635 68.868 -0.148 0.000 1.712 75 T HN 2.206 nan 8.240 nan 0.000 0.692 76 G N 1.605 110.325 108.800 -0.134 0.000 3.879 76 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.318 76 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.318 76 G C 0.321 175.145 174.900 -0.126 0.000 1.344 76 G CA 1.004 46.061 45.100 -0.071 0.000 1.024 76 G HN 1.512 nan 8.290 nan 0.000 0.681 77 Q N 0.583 120.298 119.800 -0.141 0.000 2.147 77 Q HA 0.528 4.868 4.340 -0.000 0.000 0.287 77 Q C 1.237 176.981 176.000 -0.427 0.000 0.863 77 Q CA 0.568 56.236 55.803 -0.226 0.000 1.073 77 Q CB -0.457 28.279 28.738 -0.003 0.000 1.298 77 Q HN 1.420 nan 8.270 nan 0.000 0.411 78 I N -0.741 119.593 120.570 -0.393 0.000 4.701 78 I HA -0.476 3.694 4.170 -0.000 0.000 0.046 78 I C 0.159 176.075 176.117 -0.335 0.000 0.626 78 I CA 2.028 63.058 61.300 -0.449 0.000 0.723 78 I CB -1.527 36.068 38.000 -0.675 0.000 0.675 78 I HN 0.321 nan 8.210 nan 0.000 0.157 79 Y N 2.432 122.568 120.300 -0.273 0.000 2.652 79 Y HA 0.094 4.644 4.550 -0.000 0.000 0.344 79 Y C 0.853 176.683 175.900 -0.117 0.000 1.254 79 Y CA 0.072 58.013 58.100 -0.265 0.000 1.480 79 Y CB 0.070 38.201 38.460 -0.548 0.000 1.345 79 Y HN 0.311 nan 8.280 nan 0.000 0.617 84 Y N 2.830 123.140 120.300 0.015 0.000 2.242 84 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 84 Y C 2.568 178.489 175.900 0.035 0.000 1.137 84 Y CA 2.025 60.159 58.100 0.056 0.000 1.181 84 Y CB -0.258 38.293 38.460 0.151 0.000 0.989 84 Y HN 0.149 nan 8.280 nan 0.000 0.527 85 L N -0.924 120.309 121.223 0.016 0.000 2.013 85 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 85 L C 2.170 178.804 176.870 -0.394 0.000 1.073 85 L CA 2.295 57.005 54.840 -0.216 0.000 0.753 85 L CB -0.721 41.292 42.059 -0.078 0.000 0.890 85 L HN 0.191 nan 8.230 nan 0.000 0.432 86 T N -1.179 113.293 114.554 -0.137 0.000 2.684 86 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 86 T C 1.544 176.165 174.700 -0.131 0.000 1.036 86 T CA 1.917 63.991 62.100 -0.044 0.000 1.148 86 T CB -0.580 68.351 68.868 0.104 0.000 0.863 86 T HN 0.479 nan 8.240 nan 0.000 0.436 87 Y N 1.896 122.069 120.300 -0.212 0.000 2.070 87 Y HA -0.117 4.433 4.550 -0.000 0.000 0.280 87 Y C 2.084 177.772 175.900 -0.353 0.000 1.148 87 Y CA 1.171 59.147 58.100 -0.206 0.000 1.125 87 Y CB -0.707 37.682 38.460 -0.118 0.000 0.975 87 Y HN 0.124 nan 8.280 nan 0.000 0.492 88 L N -0.311 120.538 121.223 -0.623 0.000 2.046 88 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 88 L C 2.783 179.113 176.870 -0.901 0.000 1.077 88 L CA 1.175 55.577 54.840 -0.731 0.000 0.747 88 L CB -1.095 40.618 42.059 -0.576 0.000 0.896 88 L HN 0.338 nan 8.230 nan 0.000 0.432 89 A N 0.186 122.135 122.820 -1.453 0.000 1.940 89 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 89 A C 2.488 179.434 177.584 -1.063 0.000 1.176 89 A CA 2.024 53.061 52.037 -1.666 0.000 0.631 89 A CB -0.690 16.990 19.000 -2.199 0.000 0.814 89 A HN 0.531 nan 8.150 nan 0.000 0.446 90 S N -1.075 114.227 115.700 -0.662 0.000 2.515 90 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 90 S C 1.340 175.841 174.600 -0.166 0.000 0.987 90 S CA 0.974 59.101 58.200 -0.122 0.000 0.936 90 S CB -0.061 63.169 63.200 0.050 0.000 0.766 90 S HN 0.451 nan 8.310 nan 0.000 0.528 91 K N 1.744 121.965 120.400 -0.297 0.000 2.358 91 K HA 0.189 4.509 4.320 -0.000 0.000 0.197 91 K C 0.494 177.013 176.600 -0.136 0.000 1.025 91 K CA 0.401 56.553 56.287 -0.225 0.000 1.104 91 K CB 0.642 32.951 32.500 -0.319 0.000 0.855 91 K HN 0.698 nan 8.250 nan 0.000 0.531 92 T N -1.879 112.605 114.554 -0.116 0.000 2.906 92 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 92 T C 0.565 175.261 174.700 -0.005 0.000 1.075 92 T CA -0.780 61.302 62.100 -0.030 0.000 1.005 92 T CB 2.209 71.112 68.868 0.060 0.000 1.136 92 T HN -0.214 nan 8.240 nan 0.000 0.498 93 E N 0.678 120.887 120.200 0.016 0.000 2.307 93 E HA 0.110 4.460 4.350 -0.000 0.000 0.195 93 E C 1.326 177.946 176.600 0.034 0.000 0.975 93 E CA 0.604 57.015 56.400 0.018 0.000 0.878 93 E CB 0.336 30.038 29.700 0.003 0.000 0.845 93 E HN 0.928 nan 8.360 nan 0.000 0.488 94 K N -0.624 119.824 120.400 0.080 0.000 2.645 94 K HA 0.219 4.539 4.320 -0.000 0.000 0.203 94 K C 0.935 177.668 176.600 0.221 0.000 1.653 94 K CA -0.285 56.105 56.287 0.172 0.000 1.138 94 K CB 0.076 32.711 32.500 0.226 0.000 1.515 94 K HN -0.066 nan 8.250 nan 0.000 0.592 95 I N 2.928 123.546 120.570 0.080 0.000 2.872 95 I HA 0.042 4.212 4.170 -0.000 0.000 0.291 95 I C -0.009 176.033 176.117 -0.125 0.000 1.216 95 I CA -0.009 61.252 61.300 -0.065 0.000 1.424 95 I CB 0.817 38.696 38.000 -0.202 0.000 1.351 95 I HN 0.411 nan 8.210 nan 0.000 0.592 96 A N 6.978 129.658 122.820 -0.233 0.000 2.316 96 A HA 0.583 4.903 4.320 -0.000 0.000 0.284 96 A C -1.044 176.206 177.584 -0.555 0.000 1.115 96 A CA -0.275 51.628 52.037 -0.224 0.000 0.812 96 A CB 0.331 19.204 19.000 -0.211 0.000 1.064 96 A HN 0.584 nan 8.150 nan 0.000 0.489 97 F N 0.398 120.141 119.950 -0.345 0.000 2.495 97 F HA 0.620 5.147 4.527 -0.000 0.000 0.327 97 F C 0.816 176.292 175.800 -0.541 0.000 1.103 97 F CA -0.022 57.707 58.000 -0.453 0.000 0.949 97 F CB 2.616 41.415 39.000 -0.336 0.000 1.142 97 F HN 0.721 nan 8.300 nan 0.000 0.457 98 G N 0.438 108.812 108.800 -0.710 0.000 2.571 98 G HA2 0.546 4.506 3.960 -0.000 0.000 0.304 98 G HA3 0.546 4.506 3.960 -0.000 0.000 0.304 98 G C -1.154 173.586 174.900 -0.268 0.000 1.314 98 G CA -0.912 43.701 45.100 -0.813 0.000 0.975 98 G HN 0.602 nan 8.290 nan 0.000 0.485 99 T N -1.472 113.112 114.554 0.051 0.000 2.806 99 T HA 0.592 4.942 4.350 -0.000 0.000 0.290 99 T C 0.134 175.042 174.700 0.347 0.000 0.966 99 T CA -0.620 61.596 62.100 0.194 0.000 1.060 99 T CB 1.653 70.621 68.868 0.166 0.000 0.927 99 T HN 0.673 nan 8.240 nan 0.000 0.485 100 S N 1.924 117.816 115.700 0.320 0.000 2.216 100 S HA 0.634 5.104 4.470 -0.000 0.000 0.156 100 S C -0.486 174.272 174.600 0.263 0.000 1.665 100 S CA -0.553 57.824 58.200 0.294 0.000 1.262 100 S CB -0.675 62.658 63.200 0.223 0.000 1.207 100 S HN 1.203 nan 8.310 nan 0.000 0.427 101 A N 2.204 125.166 122.820 0.237 0.000 2.413 101 A HA 0.784 5.104 4.320 -0.000 0.000 0.307 101 A C 0.091 177.798 177.584 0.205 0.000 1.087 101 A CA -0.706 51.473 52.037 0.238 0.000 0.750 101 A CB 0.997 20.141 19.000 0.239 0.000 1.296 101 A HN 0.499 nan 8.150 nan 0.000 0.423 102 T N 1.592 116.266 114.554 0.200 0.000 2.831 102 T HA 0.257 4.607 4.350 -0.000 0.000 0.291 102 T C 0.213 175.021 174.700 0.180 0.000 0.981 102 T CA 0.299 62.497 62.100 0.162 0.000 1.174 102 T CB -0.213 68.744 68.868 0.148 0.000 0.929 102 T HN 0.459 nan 8.240 nan 0.000 0.532 103 V N 6.771 126.765 119.914 0.133 0.000 2.338 103 V HA 0.096 4.216 4.120 -0.000 0.000 0.255 103 V C 1.540 177.705 176.094 0.119 0.000 1.082 103 V CA -0.083 62.301 62.300 0.140 0.000 0.951 103 V CB 0.096 31.963 31.823 0.073 0.000 1.102 103 V HN 0.881 nan 8.190 nan 0.000 0.489 104 L N 3.296 124.646 121.223 0.212 0.000 2.362 104 L HA -0.103 4.237 4.340 -0.000 0.000 0.219 104 L C 2.403 179.321 176.870 0.079 0.000 1.134 104 L CA 1.435 56.351 54.840 0.127 0.000 0.807 104 L CB -0.262 41.856 42.059 0.098 0.000 0.927 104 L HN 0.860 nan 8.230 nan 0.000 0.447 105 S N -1.218 114.566 115.700 0.139 0.000 2.527 105 S HA -0.009 4.461 4.470 -0.000 0.000 0.222 105 S C 1.532 176.086 174.600 -0.077 0.000 0.985 105 S CA 0.278 58.528 58.200 0.082 0.000 0.921 105 S CB 0.190 63.522 63.200 0.219 0.000 0.772 105 S HN 0.242 nan 8.310 nan 0.000 0.529 106 L N 0.091 121.239 121.223 -0.126 0.000 2.717 106 L HA 0.496 4.836 4.340 -0.000 0.000 0.239 106 L C 0.546 177.356 176.870 -0.100 0.000 1.086 106 L CA 0.444 55.162 54.840 -0.203 0.000 0.897 106 L CB -0.061 41.809 42.059 -0.315 0.000 1.214 106 L HN 0.145 nan 8.230 nan 0.000 0.508 107 R N -0.418 120.049 120.500 -0.055 0.000 2.445 107 R HA 0.281 4.621 4.340 -0.000 0.000 0.308 107 R C -0.333 175.946 176.300 -0.035 0.000 0.961 107 R CA -0.711 55.374 56.100 -0.025 0.000 0.862 107 R CB 1.254 31.549 30.300 -0.008 0.000 1.144 107 R HN 0.040 nan 8.270 nan 0.000 0.447 108 H N 5.238 124.239 119.070 -0.115 0.000 3.001 108 H HA 0.001 4.557 4.556 -0.000 0.000 0.334 108 H C -1.442 173.750 175.328 -0.228 0.000 1.034 108 H CA -1.030 54.908 56.048 -0.184 0.000 1.420 108 H CB 1.346 30.997 29.762 -0.185 0.000 1.405 108 H HN 0.414 nan 8.280 nan 0.000 0.593 109 P HA -0.197 nan 4.420 nan 0.000 0.216 109 P C 2.017 179.220 177.300 -0.162 0.000 1.150 109 P CA 0.787 63.671 63.100 -0.361 0.000 0.843 109 P CB 0.397 31.741 31.700 -0.593 0.000 0.787 110 L N -0.541 120.674 121.223 -0.012 0.000 2.017 110 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 110 L C 2.812 179.685 176.870 0.005 0.000 1.073 110 L CA 1.734 56.608 54.840 0.057 0.000 0.745 110 L CB -0.315 41.775 42.059 0.052 0.000 0.894 110 L HN -0.077 nan 8.230 nan 0.000 0.432 111 R N -1.047 119.459 120.500 0.009 0.000 2.092 111 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 111 R C 2.066 178.356 176.300 -0.017 0.000 1.119 111 R CA 1.317 57.407 56.100 -0.017 0.000 0.970 111 R CB -0.484 29.807 30.300 -0.015 0.000 0.864 111 R HN 0.294 nan 8.270 nan 0.000 0.440 112 V N 1.327 121.229 119.914 -0.020 0.000 2.295 112 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 112 V C 2.579 178.651 176.094 -0.036 0.000 1.049 112 V CA 1.973 64.261 62.300 -0.020 0.000 1.024 112 V CB -0.829 30.980 31.823 -0.022 0.000 0.648 112 V HN 0.368 nan 8.190 nan 0.000 0.447 113 A N 0.194 122.979 122.820 -0.058 0.000 1.883 113 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 113 A C 2.255 179.796 177.584 -0.071 0.000 1.186 113 A CA 2.573 54.558 52.037 -0.088 0.000 0.624 113 A CB -0.554 18.392 19.000 -0.089 0.000 0.822 113 A HN 0.505 nan 8.150 nan 0.000 0.444 114 K N 0.008 120.378 120.400 -0.050 0.000 2.057 114 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 114 K C 1.853 178.432 176.600 -0.035 0.000 1.049 114 K CA 2.002 58.261 56.287 -0.046 0.000 0.931 114 K CB -0.266 32.209 32.500 -0.042 0.000 0.714 114 K HN 0.621 nan 8.250 nan 0.000 0.440 115 E N -0.120 120.067 120.200 -0.022 0.000 2.072 115 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 115 E C 1.879 178.482 176.600 0.006 0.000 0.985 115 E CA 1.005 57.401 56.400 -0.006 0.000 0.801 115 E CB -0.033 29.669 29.700 0.005 0.000 0.750 115 E HN 0.199 nan 8.360 nan 0.000 0.452 116 I N 1.123 121.694 120.570 0.002 0.000 2.252 116 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 116 I C 2.400 178.524 176.117 0.012 0.000 1.102 116 I CA 1.100 62.410 61.300 0.017 0.000 1.385 116 I CB -1.331 36.674 38.000 0.009 0.000 1.064 116 I HN 0.043 nan 8.210 nan 0.000 0.414 117 A N 0.311 123.117 122.820 -0.024 0.000 1.902 117 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 117 A C 2.427 179.999 177.584 -0.020 0.000 1.181 117 A CA 2.303 54.324 52.037 -0.027 0.000 0.623 117 A CB -1.016 17.948 19.000 -0.060 0.000 0.818 117 A HN 0.401 nan 8.150 nan 0.000 0.443 118 T N 0.523 115.061 114.554 -0.027 0.000 2.674 118 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 118 T C 1.839 176.511 174.700 -0.048 0.000 1.039 118 T CA 1.535 63.608 62.100 -0.044 0.000 1.150 118 T CB -0.430 68.414 68.868 -0.040 0.000 0.864 118 T HN 0.354 nan 8.240 nan 0.000 0.427 119 L N 0.704 121.935 121.223 0.013 0.000 2.042 119 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 119 L C 2.522 179.451 176.870 0.097 0.000 1.076 119 L CA 1.626 56.524 54.840 0.098 0.000 0.749 119 L CB -0.506 41.650 42.059 0.162 0.000 0.893 119 L HN 0.271 nan 8.230 nan 0.000 0.432 120 D N -1.250 119.197 120.400 0.078 0.000 2.144 120 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 120 D C 2.300 178.609 176.300 0.016 0.000 0.984 120 D CA 0.866 54.920 54.000 0.089 0.000 0.834 120 D CB 0.189 41.055 40.800 0.111 0.000 0.955 120 D HN 0.178 nan 8.370 nan 0.000 0.465 121 Q N -0.205 119.573 119.800 -0.037 0.000 2.084 121 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 121 Q C 2.488 178.381 176.000 -0.178 0.000 0.978 121 Q CA 0.821 56.575 55.803 -0.082 0.000 0.844 121 Q CB -0.213 28.477 28.738 -0.080 0.000 0.898 121 Q HN 0.454 nan 8.270 nan 0.000 0.426 122 L N -1.255 119.774 121.223 -0.322 0.000 2.109 122 L HA -0.042 4.297 4.340 -0.000 0.000 0.207 122 L C 0.494 176.870 176.870 -0.823 0.000 1.086 122 L CA 0.684 55.117 54.840 -0.679 0.000 0.760 122 L CB -0.012 41.427 42.059 -1.033 0.000 0.910 122 L HN 0.054 nan 8.230 nan 0.000 0.437 123 F N -0.347 119.582 119.950 -0.035 0.000 2.531 123 F HA 0.351 4.878 4.527 -0.000 0.000 0.333 123 F C -2.300 173.495 175.800 -0.008 0.000 1.292 123 F CA -2.362 55.620 58.000 -0.030 0.000 1.184 123 F CB 0.108 39.089 39.000 -0.032 0.000 1.426 123 F HN -0.253 nan 8.300 nan 0.000 0.559 124 P HA -0.016 nan 4.420 nan 0.000 0.261 124 P C 0.045 177.367 177.300 0.037 0.000 1.183 124 P CA 0.781 63.902 63.100 0.035 0.000 0.761 124 P CB 0.353 32.041 31.700 -0.020 0.000 0.785 125 E N 1.010 121.228 120.200 0.030 0.000 2.868 125 E HA -0.267 4.083 4.350 -0.000 0.000 0.278 125 E C 0.242 176.916 176.600 0.122 0.000 1.009 125 E CA 0.475 56.783 56.400 -0.152 0.000 0.856 125 E CB -1.123 28.369 29.700 -0.347 0.000 1.428 125 E HN 0.531 nan 8.360 nan 0.000 0.423 126 R N -0.518 120.109 120.500 0.212 0.000 2.565 126 R HA 0.329 4.669 4.340 -0.000 0.000 0.347 126 R C 0.073 176.486 176.300 0.187 0.000 1.010 126 R CA -0.151 56.086 56.100 0.227 0.000 1.126 126 R CB 0.681 31.117 30.300 0.227 0.000 1.331 126 R HN 0.012 nan 8.270 nan 0.000 0.552 130 G N 1.930 110.950 108.800 0.366 0.000 2.403 130 G HA2 0.498 4.458 3.960 -0.000 0.000 0.259 130 G HA3 0.498 4.458 3.960 -0.000 0.000 0.259 130 G C -0.911 174.184 174.900 0.325 0.000 1.244 130 G CA -0.164 45.184 45.100 0.413 0.000 0.849 130 G HN 0.207 nan 8.290 nan 0.000 0.532 131 V N 1.588 121.712 119.914 0.349 0.000 2.686 131 V HA 0.763 4.883 4.120 -0.000 0.000 0.306 131 V C -0.026 176.324 176.094 0.427 0.000 1.065 131 V CA -0.235 62.303 62.300 0.397 0.000 0.894 131 V CB 2.144 34.252 31.823 0.476 0.000 1.004 131 V HN 1.258 nan 8.190 nan 0.000 0.424 132 S N 2.497 118.445 115.700 0.413 0.000 2.720 132 S HA 0.496 4.966 4.470 -0.000 0.000 0.287 132 S C 0.531 175.261 174.600 0.217 0.000 1.168 132 S CA 0.156 58.486 58.200 0.215 0.000 0.832 132 S CB 1.871 65.164 63.200 0.154 0.000 1.166 132 S HN 1.072 nan 8.310 nan 0.000 0.493 133 S N -0.295 115.352 115.700 -0.088 0.000 2.556 133 S HA 0.554 5.024 4.470 -0.000 0.000 0.216 133 S C 1.143 175.882 174.600 0.232 0.000 0.970 133 S CA 0.135 58.368 58.200 0.056 0.000 0.912 133 S CB -0.945 62.129 63.200 -0.211 0.000 0.790 133 S HN 2.379 nan 8.310 nan 0.000 0.504 134 G N 2.004 110.946 108.800 0.235 0.000 2.721 134 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 134 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 134 G C -0.306 174.833 174.900 0.398 0.000 1.236 134 G CA -0.016 45.300 45.100 0.360 0.000 0.786 134 G HN 0.484 nan 8.290 nan 0.000 0.616 135 D N -0.514 120.117 120.400 0.384 0.000 2.449 135 D HA 0.007 4.647 4.640 -0.000 0.000 0.255 135 D C 0.776 177.291 176.300 0.357 0.000 1.121 135 D CA -0.278 53.935 54.000 0.355 0.000 0.830 135 D CB 0.164 41.149 40.800 0.308 0.000 1.280 135 D HN 0.374 nan 8.370 nan 0.000 0.522 136 R N 1.992 122.651 120.500 0.265 0.000 2.459 136 R HA 0.232 4.572 4.340 -0.000 0.000 0.301 136 R C 1.098 177.591 176.300 0.321 0.000 1.286 136 R CA 0.011 56.178 56.100 0.113 0.000 1.046 136 R CB -0.148 30.098 30.300 -0.090 0.000 1.071 136 R HN 0.250 nan 8.270 nan 0.000 0.512 137 R N 1.301 121.947 120.500 0.243 0.000 2.159 137 R HA -0.152 4.187 4.340 -0.000 0.000 0.237 137 R C 1.854 178.272 176.300 0.196 0.000 1.131 137 R CA 1.796 57.996 56.100 0.167 0.000 0.982 137 R CB -0.010 30.260 30.300 -0.051 0.000 0.868 137 R HN 0.579 nan 8.270 nan 0.000 0.453 138 A N 0.969 123.872 122.820 0.139 0.000 1.930 138 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 138 A C 1.415 179.055 177.584 0.092 0.000 1.175 138 A CA 1.618 53.711 52.037 0.093 0.000 0.627 138 A CB -0.244 18.788 19.000 0.054 0.000 0.815 138 A HN 0.155 nan 8.150 nan 0.000 0.443 139 D N -0.650 119.801 120.400 0.086 0.000 2.117 139 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 139 D C 1.514 177.822 176.300 0.014 0.000 0.987 139 D CA 1.089 55.098 54.000 0.016 0.000 0.829 139 D CB -0.456 40.316 40.800 -0.048 0.000 0.961 139 D HN 0.461 nan 8.370 nan 0.000 0.460 140 F N 0.909 120.890 119.950 0.052 0.000 2.095 140 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 140 F C 2.305 178.137 175.800 0.053 0.000 1.104 140 F CA 1.093 59.138 58.000 0.074 0.000 1.232 140 F CB -0.133 38.945 39.000 0.130 0.000 0.987 140 F HN -0.185 nan 8.300 nan 0.000 0.475 141 K N 0.327 120.865 120.400 0.229 0.000 2.026 141 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 141 K C 2.200 178.847 176.600 0.079 0.000 1.048 141 K CA 1.334 57.700 56.287 0.131 0.000 0.929 141 K CB -1.039 31.518 32.500 0.095 0.000 0.713 141 K HN 0.181 nan 8.250 nan 0.000 0.439 142 A N 0.109 122.962 122.820 0.056 0.000 1.930 142 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 142 A C 2.037 179.630 177.584 0.015 0.000 1.175 142 A CA 1.175 53.227 52.037 0.026 0.000 0.627 142 A CB -0.454 18.553 19.000 0.011 0.000 0.815 142 A HN 0.239 nan 8.150 nan 0.000 0.443 143 L N -1.218 120.007 121.223 0.004 0.000 2.554 143 L HA 0.186 4.526 4.340 -0.000 0.000 0.226 143 L C 1.560 178.438 176.870 0.013 0.000 1.137 143 L CA 0.508 55.340 54.840 -0.013 0.000 0.863 143 L CB -0.202 41.819 42.059 -0.063 0.000 0.985 143 L HN 0.564 nan 8.230 nan 0.000 0.451 144 G N 0.719 109.546 108.800 0.044 0.000 2.182 144 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 144 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 144 G C -0.073 174.876 174.900 0.082 0.000 1.042 144 G CA 0.079 45.216 45.100 0.061 0.000 0.775 144 G HN 0.116 nan 8.290 nan 0.000 0.501 145 V N 0.449 120.432 119.914 0.116 0.000 2.435 145 V HA 0.688 4.808 4.120 -0.000 0.000 0.290 145 V C 1.000 177.283 176.094 0.314 0.000 1.030 145 V CA -0.071 62.329 62.300 0.166 0.000 0.881 145 V CB 1.800 33.671 31.823 0.081 0.000 0.983 145 V HN 0.715 nan 8.190 nan 0.000 0.445 146 S N 3.244 119.089 115.700 0.241 0.000 2.498 146 S HA 0.027 4.497 4.470 -0.000 0.000 0.281 146 S C 1.214 175.962 174.600 0.246 0.000 1.265 146 S CA -0.131 58.197 58.200 0.214 0.000 1.071 146 S CB -0.003 63.272 63.200 0.124 0.000 0.894 146 S HN 0.893 nan 8.310 nan 0.000 0.491 147 H N 4.035 123.096 119.070 -0.015 0.000 2.389 147 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 147 H C 1.810 177.003 175.328 -0.226 0.000 1.081 147 H CA 2.189 57.951 56.048 -0.476 0.000 1.345 147 H CB -0.044 29.340 29.762 -0.631 0.000 1.393 147 H HN 0.941 nan 8.280 nan 0.000 0.520 148 E N 0.259 120.453 120.200 -0.010 0.000 2.085 148 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 148 E C 1.043 177.607 176.600 -0.060 0.000 0.994 148 E CA 1.881 58.272 56.400 -0.015 0.000 0.801 148 E CB 0.038 29.758 29.700 0.033 0.000 0.743 148 E HN 0.545 nan 8.360 nan 0.000 0.453 149 T N -1.298 113.243 114.554 -0.021 0.000 3.251 149 T HA 0.188 4.538 4.350 -0.000 0.000 0.259 149 T C 1.267 175.977 174.700 0.016 0.000 0.998 149 T CA -0.381 61.719 62.100 0.001 0.000 0.905 149 T CB 0.011 68.898 68.868 0.033 0.000 1.067 149 T HN 0.221 nan 8.240 nan 0.000 0.569 150 R N 0.781 121.263 120.500 -0.030 0.000 2.120 150 R HA 0.033 4.372 4.340 -0.000 0.000 0.234 150 R C 2.259 178.601 176.300 0.070 0.000 1.123 150 R CA 1.538 57.676 56.100 0.062 0.000 0.975 150 R CB -1.198 29.109 30.300 0.012 0.000 0.866 150 R HN 0.392 nan 8.270 nan 0.000 0.446 151 G N 1.283 110.079 108.800 -0.008 0.000 2.394 151 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 151 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 151 G C 1.340 176.253 174.900 0.021 0.000 1.165 151 G CA 0.598 45.687 45.100 -0.019 0.000 0.784 151 G HN 0.521 nan 8.290 nan 0.000 0.535 152 E N 0.343 120.555 120.200 0.020 0.000 2.051 152 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 152 E C 2.320 178.954 176.600 0.056 0.000 0.991 152 E CA 1.164 57.581 56.400 0.029 0.000 0.799 152 E CB -0.167 29.550 29.700 0.030 0.000 0.748 152 E HN 0.417 nan 8.360 nan 0.000 0.449 153 K N -0.329 120.118 120.400 0.078 0.000 2.097 153 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 153 K C 2.060 178.717 176.600 0.095 0.000 1.050 153 K CA 1.156 57.492 56.287 0.081 0.000 0.938 153 K CB -0.277 32.280 32.500 0.094 0.000 0.718 153 K HN 0.120 nan 8.250 nan 0.000 0.442 154 F N 1.742 121.687 119.950 -0.009 0.000 2.095 154 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 154 F C 2.227 178.035 175.800 0.014 0.000 1.104 154 F CA 1.598 59.592 58.000 -0.009 0.000 1.232 154 F CB -0.075 38.878 39.000 -0.078 0.000 0.987 154 F HN -0.066 nan 8.300 nan 0.000 0.475 155 R N -0.201 120.299 120.500 -0.000 0.000 2.081 155 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 155 R C 2.214 178.560 176.300 0.077 0.000 1.131 155 R CA 1.735 57.831 56.100 -0.006 0.000 0.960 155 R CB -0.454 29.840 30.300 -0.010 0.000 0.856 155 R HN 0.281 nan 8.270 nan 0.000 0.436 156 E N 0.416 120.648 120.200 0.052 0.000 2.051 156 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 156 E C 1.758 178.388 176.600 0.049 0.000 0.991 156 E CA 1.687 58.127 56.400 0.066 0.000 0.799 156 E CB -0.155 29.578 29.700 0.055 0.000 0.748 156 E HN 0.338 nan 8.360 nan 0.000 0.449 157 A N -0.187 122.614 122.820 -0.033 0.000 1.902 157 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 157 A C 2.209 179.750 177.584 -0.073 0.000 1.181 157 A CA 1.403 53.374 52.037 -0.111 0.000 0.623 157 A CB -0.987 17.912 19.000 -0.168 0.000 0.818 157 A HN 0.458 nan 8.150 nan 0.000 0.443 158 F N 0.970 120.769 119.950 -0.253 0.000 2.126 158 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 158 F C 2.528 178.317 175.800 -0.019 0.000 1.096 158 F CA 1.253 59.138 58.000 -0.191 0.000 1.255 158 F CB -0.361 38.483 39.000 -0.260 0.000 0.997 158 F HN 0.255 nan 8.300 nan 0.000 0.479 159 A N -0.593 122.302 122.820 0.125 0.000 1.877 159 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 159 A C 2.200 179.799 177.584 0.026 0.000 1.186 159 A CA 1.675 53.759 52.037 0.079 0.000 0.620 159 A CB -1.739 17.340 19.000 0.132 0.000 0.822 159 A HN 0.635 nan 8.150 nan 0.000 0.443 160 Y N -0.021 120.227 120.300 -0.088 0.000 2.081 160 Y HA -0.248 4.302 4.550 -0.000 0.000 0.280 160 Y C 2.249 178.063 175.900 -0.143 0.000 1.163 160 Y CA 1.675 59.715 58.100 -0.101 0.000 1.135 160 Y CB -0.133 38.259 38.460 -0.114 0.000 0.970 160 Y HN 0.280 nan 8.280 nan 0.000 0.498 161 L N 0.344 121.609 121.223 0.069 0.000 2.021 161 L HA -0.324 4.016 4.340 -0.000 0.000 0.215 161 L C 2.224 179.003 176.870 -0.151 0.000 1.074 161 L CA 2.503 57.291 54.840 -0.086 0.000 0.760 161 L CB -0.475 41.439 42.059 -0.241 0.000 0.889 161 L HN 0.388 nan 8.230 nan 0.000 0.433 162 E N -0.344 119.734 120.200 -0.203 0.000 2.107 162 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 162 E C 1.969 178.577 176.600 0.014 0.000 0.982 162 E CA 1.095 57.435 56.400 -0.099 0.000 0.809 162 E CB 0.148 29.751 29.700 -0.162 0.000 0.756 162 E HN 0.500 nan 8.360 nan 0.000 0.459 163 E N -0.116 120.068 120.200 -0.027 0.000 2.047 163 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 163 E C 1.946 178.513 176.600 -0.055 0.000 0.987 163 E CA 1.042 57.423 56.400 -0.032 0.000 0.799 163 E CB -0.035 29.611 29.700 -0.090 0.000 0.752 163 E HN 0.229 nan 8.360 nan 0.000 0.449 164 I N 0.675 121.207 120.570 -0.063 0.000 2.500 164 I HA -0.145 4.025 4.170 -0.000 0.000 0.252 164 I C 1.889 177.928 176.117 -0.130 0.000 1.142 164 I CA 0.844 62.108 61.300 -0.060 0.000 1.451 164 I CB 0.106 38.154 38.000 0.081 0.000 1.093 164 I HN 0.108 nan 8.210 nan 0.000 0.430 165 L N -1.135 119.938 121.223 -0.250 0.000 2.156 165 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 165 L C 1.487 178.041 176.870 -0.525 0.000 1.095 165 L CA 1.539 56.077 54.840 -0.503 0.000 0.770 165 L CB -0.125 41.384 42.059 -0.918 0.000 0.914 165 L HN 0.315 nan 8.230 nan 0.000 0.439 166 Y N -1.498 118.784 120.300 -0.031 0.000 2.467 166 Y HA 0.191 4.740 4.550 -0.000 0.000 0.259 166 Y C 0.654 176.540 175.900 -0.022 0.000 1.084 166 Y CA -0.591 57.494 58.100 -0.024 0.000 1.275 166 Y CB 0.680 39.125 38.460 -0.025 0.000 1.208 166 Y HN -0.113 nan 8.280 nan 0.000 0.511 167 K N 1.732 122.182 120.400 0.083 0.000 2.130 167 K HA 0.137 4.457 4.320 -0.000 0.000 0.268 167 K C -0.468 176.145 176.600 0.022 0.000 0.983 167 K CA -0.724 55.597 56.287 0.057 0.000 0.893 167 K CB 1.067 33.593 32.500 0.044 0.000 1.066 167 K HN -0.007 nan 8.250 nan 0.000 0.450 168 N N 3.097 121.834 118.700 0.062 0.000 2.420 168 N HA -0.000 4.740 4.740 -0.000 0.000 0.262 168 N C -0.735 174.891 175.510 0.194 0.000 1.144 168 N CA -0.021 53.090 53.050 0.102 0.000 0.952 168 N CB 0.121 38.706 38.487 0.163 0.000 1.081 168 N HN 0.502 nan 8.380 nan 0.000 0.480 169 F N 0.950 120.899 119.950 -0.002 0.000 2.738 169 F HA -0.191 4.336 4.527 -0.000 0.000 0.232 169 F C -1.665 174.129 175.800 -0.011 0.000 1.025 169 F CA -0.184 57.812 58.000 -0.006 0.000 0.895 169 F CB -1.374 37.629 39.000 0.004 0.000 0.839 169 F HN 0.464 nan 8.300 nan 0.000 0.850 170 P HA 0.201 nan 4.420 nan 0.000 0.276 170 P C -0.240 177.058 177.300 -0.003 0.000 1.244 170 P CA -0.377 62.732 63.100 0.014 0.000 0.801 170 P CB 1.724 33.392 31.700 -0.053 0.000 1.006 171 S N 1.217 116.923 115.700 0.010 0.000 2.420 171 S HA 0.525 4.995 4.470 -0.000 0.000 0.313 171 S C -0.404 174.148 174.600 -0.080 0.000 1.079 171 S CA -0.699 57.521 58.200 0.034 0.000 1.104 171 S CB -0.967 62.324 63.200 0.150 0.000 0.969 171 S HN 0.235 nan 8.310 nan 0.000 0.471 172 I N 4.138 124.537 120.570 -0.286 0.000 2.466 172 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 172 I C -0.681 175.264 176.117 -0.287 0.000 1.026 172 I CA -0.613 60.495 61.300 -0.321 0.000 1.078 172 I CB 2.125 39.796 38.000 -0.548 0.000 1.249 172 I HN 0.455 nan 8.210 nan 0.000 0.429 173 Q N 4.899 124.643 119.800 -0.094 0.000 2.616 173 Q HA 0.448 4.788 4.340 -0.000 0.000 0.250 173 Q C -1.173 174.843 176.000 0.026 0.000 0.991 173 Q CA -0.186 55.632 55.803 0.025 0.000 0.707 173 Q CB 1.606 30.428 28.738 0.141 0.000 1.247 173 Q HN 0.681 nan 8.270 nan 0.000 0.491 174 S N 0.732 116.455 115.700 0.039 0.000 2.599 174 S HA 0.500 4.970 4.470 -0.000 0.000 0.294 174 S C 0.877 175.546 174.600 0.115 0.000 1.094 174 S CA 0.105 58.358 58.200 0.088 0.000 0.931 174 S CB 1.202 64.493 63.200 0.151 0.000 1.093 174 S HN 0.640 nan 8.310 nan 0.000 0.488 175 T N 1.345 115.961 114.554 0.104 0.000 2.977 175 T HA 0.028 4.378 4.350 -0.000 0.000 0.271 175 T C 1.472 176.237 174.700 0.108 0.000 1.105 175 T CA 1.021 63.176 62.100 0.093 0.000 1.116 175 T CB -0.558 68.354 68.868 0.073 0.000 0.878 175 T HN 0.534 nan 8.240 nan 0.000 0.509 176 L N 0.320 121.629 121.223 0.144 0.000 2.567 176 L HA 0.485 4.825 4.340 -0.000 0.000 0.225 176 L C 1.395 178.452 176.870 0.313 0.000 1.119 176 L CA 0.086 55.010 54.840 0.141 0.000 0.871 176 L CB -0.190 41.821 42.059 -0.080 0.000 1.036 176 L HN 0.651 nan 8.230 nan 0.000 0.459 177 G N 0.567 109.548 108.800 0.301 0.000 2.369 177 G HA2 0.143 4.103 3.960 -0.000 0.000 0.293 177 G HA3 0.143 4.103 3.960 -0.000 0.000 0.293 177 G C -1.770 173.246 174.900 0.194 0.000 1.301 177 G CA -0.677 44.589 45.100 0.277 0.000 0.913 177 G HN 0.125 nan 8.290 nan 0.000 0.540 178 E N -2.009 118.244 120.200 0.088 0.000 2.356 178 E HA 0.662 5.012 4.350 -0.000 0.000 0.275 178 E C -1.391 175.095 176.600 -0.190 0.000 0.904 178 E CA -1.196 55.149 56.400 -0.092 0.000 0.757 178 E CB 2.708 32.395 29.700 -0.021 0.000 1.232 178 E HN 1.629 nan 8.360 nan 0.000 0.442 179 V N 2.269 121.918 119.914 -0.442 0.000 2.577 179 V HA 0.501 4.621 4.120 -0.000 0.000 0.303 179 V C -1.706 174.056 176.094 -0.553 0.000 1.042 179 V CA -0.255 61.837 62.300 -0.347 0.000 0.872 179 V CB 1.579 33.291 31.823 -0.185 0.000 0.998 179 V HN 0.861 nan 8.190 nan 0.000 0.423 180 H N 5.293 124.381 119.070 0.030 0.000 2.596 180 H HA 0.540 5.096 4.556 -0.000 0.000 0.240 180 H C 0.773 176.148 175.328 0.078 0.000 1.406 180 H CA 0.174 56.250 56.048 0.046 0.000 1.504 180 H CB 1.241 31.020 29.762 0.029 0.000 1.688 180 H HN 1.240 nan 8.280 nan 0.000 0.546 181 G N 0.767 109.703 108.800 0.225 0.000 2.318 181 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.172 181 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.172 181 G C 0.214 175.338 174.900 0.373 0.000 1.002 181 G CA -0.064 45.194 45.100 0.264 0.000 0.697 181 G HN 0.777 nan 8.290 nan 0.000 0.483 182 A N -0.347 122.589 122.820 0.194 0.000 2.299 182 A HA 0.879 5.199 4.320 -0.000 0.000 0.332 182 A C -0.346 177.039 177.584 -0.332 0.000 1.131 182 A CA -0.050 51.991 52.037 0.008 0.000 0.844 182 A CB 1.501 20.487 19.000 -0.022 0.000 1.251 182 A HN 0.849 nan 8.150 nan 0.000 0.486 183 N N -0.617 117.748 118.700 -0.558 0.000 2.287 183 N HA 0.451 5.191 4.740 -0.000 0.000 0.289 183 N C -1.506 173.779 175.510 -0.375 0.000 1.066 183 N CA -0.533 52.070 53.050 -0.745 0.000 0.841 183 N CB 1.387 38.911 38.487 -1.605 0.000 1.599 183 N HN 0.602 nan 8.380 nan 0.000 0.476 184 L N 3.921 124.987 121.223 -0.261 0.000 2.410 184 L HA 0.537 4.877 4.340 -0.000 0.000 0.273 184 L C -0.717 176.065 176.870 -0.148 0.000 1.152 184 L CA -0.162 54.581 54.840 -0.163 0.000 0.855 184 L CB 0.460 42.446 42.059 -0.122 0.000 1.129 184 L HN 0.402 nan 8.230 nan 0.000 0.463 185 V N 4.116 123.963 119.914 -0.112 0.000 2.823 185 V HA 0.805 4.925 4.120 -0.000 0.000 0.312 185 V C -2.517 173.537 176.094 -0.066 0.000 1.072 185 V CA -1.537 60.714 62.300 -0.082 0.000 0.937 185 V CB 1.373 33.154 31.823 -0.069 0.000 1.013 185 V HN 0.782 nan 8.190 nan 0.000 0.430 186 P HA 0.475 nan 4.420 nan 0.000 0.282 186 P C -1.215 176.055 177.300 -0.050 0.000 1.287 186 P CA -0.397 62.674 63.100 -0.048 0.000 0.792 186 P CB 0.919 32.593 31.700 -0.043 0.000 1.163 187 K N 0.031 120.413 120.400 -0.031 0.000 2.208 187 K HA 0.472 4.792 4.320 -0.000 0.000 0.247 187 K C -2.303 174.304 176.600 0.012 0.000 0.953 187 K CA -2.276 53.999 56.287 -0.020 0.000 0.837 187 K CB 0.710 33.215 32.500 0.009 0.000 1.131 187 K HN 0.358 nan 8.250 nan 0.000 0.431 188 P HA 0.033 nan 4.420 nan 0.000 0.271 188 P C 0.528 177.895 177.300 0.111 0.000 1.218 188 P CA 0.077 63.230 63.100 0.088 0.000 0.780 188 P CB 0.972 32.761 31.700 0.149 0.000 0.901 189 S N 1.791 117.547 115.700 0.092 0.000 2.406 189 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 189 S C 0.669 175.334 174.600 0.109 0.000 1.020 189 S CA 1.148 59.397 58.200 0.080 0.000 0.965 189 S CB -0.168 63.062 63.200 0.050 0.000 0.798 189 S HN 0.418 nan 8.310 nan 0.000 0.488 190 K N 0.446 120.942 120.400 0.160 0.000 2.352 190 K HA 0.445 4.765 4.320 -0.000 0.000 0.240 190 K C -0.523 176.231 176.600 0.257 0.000 1.017 190 K CA -0.984 55.417 56.287 0.190 0.000 0.851 190 K CB 0.858 33.506 32.500 0.246 0.000 1.261 190 K HN -0.024 nan 8.250 nan 0.000 0.451 191 R N 0.684 121.279 120.500 0.157 0.000 2.698 191 R HA 0.053 4.393 4.340 -0.000 0.000 0.266 191 R C -0.442 176.076 176.300 0.362 0.000 1.026 191 R CA -0.006 56.172 56.100 0.130 0.000 1.102 191 R CB 0.140 30.314 30.300 -0.209 0.000 0.978 191 R HN 0.247 nan 8.270 nan 0.000 0.436 192 V N 5.733 125.891 119.914 0.406 0.000 2.350 192 V HA 0.167 4.287 4.120 -0.000 0.000 0.276 192 V C -1.981 174.188 176.094 0.125 0.000 1.028 192 V CA -2.116 60.348 62.300 0.274 0.000 0.860 192 V CB 1.430 33.395 31.823 0.236 0.000 0.990 192 V HN 0.591 nan 8.190 nan 0.000 0.453 193 P HA 0.077 nan 4.420 nan 0.000 0.258 193 P C -0.300 176.624 177.300 -0.627 0.000 1.187 193 P CA 0.606 63.374 63.100 -0.554 0.000 0.767 193 P CB 0.085 31.459 31.700 -0.544 0.000 0.770 194 T N 4.896 119.078 114.554 -0.620 0.000 2.815 194 T HA 0.523 4.873 4.350 -0.000 0.000 0.289 194 T C -0.564 173.915 174.700 -0.368 0.000 1.000 194 T CA -0.201 61.710 62.100 -0.314 0.000 0.958 194 T CB 0.165 69.078 68.868 0.074 0.000 0.944 194 T HN 0.042 nan 8.240 nan 0.000 0.442 195 F N 3.289 123.387 119.950 0.247 0.000 2.467 195 F HA 0.519 5.046 4.527 -0.000 0.000 0.336 195 F C 0.335 176.267 175.800 0.219 0.000 1.123 195 F CA -1.508 56.608 58.000 0.193 0.000 0.964 195 F CB 1.044 40.107 39.000 0.106 0.000 1.136 195 F HN 0.243 nan 8.300 nan 0.000 0.447 196 I N 2.175 122.977 120.570 0.388 0.000 2.588 196 I HA 0.128 4.298 4.170 -0.000 0.000 0.283 196 I C 0.350 176.562 176.117 0.158 0.000 1.119 196 I CA 0.065 61.542 61.300 0.296 0.000 1.419 196 I CB 0.488 38.640 38.000 0.254 0.000 1.394 196 I HN 0.555 nan 8.210 nan 0.000 0.562 197 T N 4.828 119.430 114.554 0.080 0.000 2.786 197 T HA 0.622 4.972 4.350 -0.000 0.000 0.283 197 T C 0.496 175.123 174.700 -0.120 0.000 0.992 197 T CA 0.207 62.285 62.100 -0.036 0.000 0.954 197 T CB 1.500 70.411 68.868 0.072 0.000 0.934 197 T HN 1.123 nan 8.240 nan 0.000 0.440 198 G N 2.476 111.107 108.800 -0.283 0.000 2.562 198 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.250 198 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.250 198 G C 0.225 175.081 174.900 -0.075 0.000 1.269 198 G CA 0.035 44.995 45.100 -0.233 0.000 0.919 198 G HN 0.576 nan 8.290 nan 0.000 0.574 199 F N 1.085 121.067 119.950 0.053 0.000 2.530 199 F HA 0.313 4.839 4.527 -0.000 0.000 0.292 199 F C 2.299 178.030 175.800 -0.115 0.000 1.109 199 F CA 1.390 59.394 58.000 0.006 0.000 1.450 199 F CB 0.140 39.253 39.000 0.188 0.000 1.114 199 F HN 0.623 nan 8.300 nan 0.000 0.560 200 S N 1.342 117.018 115.700 -0.040 0.000 3.581 200 S HA -0.279 4.191 4.470 -0.000 0.000 0.354 200 S C 0.435 174.836 174.600 -0.332 0.000 1.059 200 S CA 0.601 58.577 58.200 -0.373 0.000 1.060 200 S CB -1.357 61.248 63.200 -0.993 0.000 0.908 200 S HN 0.571 nan 8.310 nan 0.000 0.475 201 Q N -2.754 117.005 119.800 -0.068 0.000 2.481 201 Q HA -0.203 4.136 4.340 -0.000 0.000 0.258 201 Q C -0.048 175.918 176.000 -0.057 0.000 0.961 201 Q CA 1.501 57.271 55.803 -0.055 0.000 1.121 201 Q CB -1.039 27.634 28.738 -0.108 0.000 1.503 201 Q HN 0.789 nan 8.270 nan 0.000 0.544 202 Q N 0.146 119.960 119.800 0.023 0.000 2.248 202 Q HA 0.482 4.822 4.340 -0.000 0.000 0.263 202 Q C 0.402 176.567 176.000 0.274 0.000 1.007 202 Q CA -0.718 55.104 55.803 0.031 0.000 0.877 202 Q CB 0.965 29.664 28.738 -0.065 0.000 1.315 202 Q HN 0.079 nan 8.270 nan 0.000 0.454 206 W N 1.602 122.723 121.300 -0.299 0.000 2.355 206 W HA -0.162 4.498 4.660 -0.000 0.000 0.309 206 W C 1.561 178.046 176.519 -0.057 0.000 1.206 206 W CA 2.442 59.732 57.345 -0.091 0.000 1.284 206 W CB -0.098 29.397 29.460 0.058 0.000 1.145 206 W HN 0.163 nan 8.180 nan 0.000 0.502 207 F N -0.971 119.113 119.950 0.224 0.000 2.811 207 F HA 0.409 4.936 4.527 -0.000 0.000 0.301 207 F C 1.678 177.546 175.800 0.114 0.000 1.151 207 F CA 0.474 58.519 58.000 0.075 0.000 1.412 207 F CB -1.523 37.467 39.000 -0.016 0.000 1.113 207 F HN -0.088 nan 8.300 nan 0.000 0.579 208 A N 0.810 123.552 122.820 -0.130 0.000 1.935 208 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 208 A C 2.193 179.554 177.584 -0.372 0.000 1.178 208 A CA 1.232 53.136 52.037 -0.222 0.000 0.640 208 A CB -0.531 18.230 19.000 -0.399 0.000 0.825 208 A HN 0.430 nan 8.150 nan 0.000 0.447 209 E N -0.329 119.437 120.200 -0.724 0.000 2.170 209 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 209 E C 0.034 176.228 176.600 -0.677 0.000 0.981 209 E CA 0.561 56.499 56.400 -0.769 0.000 0.830 209 E CB -0.163 28.820 29.700 -1.195 0.000 0.775 209 E HN 0.744 nan 8.360 nan 0.000 0.470 210 H N -0.968 117.792 119.070 -0.517 0.000 2.469 210 H HA 0.616 5.172 4.556 -0.000 0.000 0.342 210 H C 0.133 175.348 175.328 -0.189 0.000 1.115 210 H CA -0.172 55.569 56.048 -0.511 0.000 1.204 210 H CB 1.941 30.859 29.762 -1.406 0.000 1.492 210 H HN 0.368 nan 8.280 nan 0.000 0.499 211 G N 1.838 110.770 108.800 0.220 0.000 2.712 211 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.683 211 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.683 211 G C -0.259 174.781 174.900 0.234 0.000 1.320 211 G CA -0.246 45.039 45.100 0.308 0.000 0.847 211 G HN 0.677 nan 8.290 nan 0.000 0.553 212 D N 0.746 121.269 120.400 0.204 0.000 2.369 212 D HA 0.426 5.066 4.640 -0.000 0.000 0.211 212 D C 1.162 177.694 176.300 0.386 0.000 1.077 212 D CA 1.444 55.568 54.000 0.206 0.000 0.842 212 D CB 0.987 41.845 40.800 0.097 0.000 0.947 212 D HN 1.309 nan 8.370 nan 0.000 0.509 213 G N -0.048 109.090 108.800 0.563 0.000 2.313 213 G HA2 0.262 4.222 3.960 -0.000 0.000 0.296 213 G HA3 0.262 4.222 3.960 -0.000 0.000 0.296 213 G C -2.339 172.819 174.900 0.430 0.000 1.356 213 G CA -0.898 44.577 45.100 0.624 0.000 0.833 213 G HN 0.010 nan 8.290 nan 0.000 0.552 217 Y N 2.486 122.167 120.300 -1.031 0.000 2.298 217 Y HA 0.407 4.957 4.550 -0.000 0.000 0.329 217 Y C -1.967 173.690 175.900 -0.405 0.000 1.293 217 Y CA -2.255 55.460 58.100 -0.643 0.000 1.388 217 Y CB 0.033 38.115 38.460 -0.631 0.000 1.309 217 Y HN 0.222 nan 8.280 nan 0.000 0.544 218 P HA 0.086 nan 4.420 nan 0.000 0.267 218 P C -0.725 176.563 177.300 -0.020 0.000 1.209 218 P CA 0.312 63.346 63.100 -0.111 0.000 0.763 218 P CB 0.539 32.159 31.700 -0.133 0.000 0.816 219 R N 1.168 121.709 120.500 0.068 0.000 2.836 219 R HA 0.460 4.800 4.340 -0.000 0.000 0.269 219 R C -0.041 176.427 176.300 0.279 0.000 1.010 219 R CA -0.920 55.273 56.100 0.156 0.000 0.930 219 R CB 1.334 31.696 30.300 0.103 0.000 1.218 219 R HN 0.487 nan 8.270 nan 0.000 0.473 220 S N 0.702 116.566 115.700 0.274 0.000 2.572 220 S HA 0.130 4.600 4.470 -0.000 0.000 0.279 220 S C -1.652 173.079 174.600 0.218 0.000 1.341 220 S CA -0.708 57.658 58.200 0.277 0.000 1.043 220 S CB 0.948 64.269 63.200 0.202 0.000 0.887 220 S HN 0.267 nan 8.310 nan 0.000 0.516 221 P HA -0.139 nan 4.420 nan 0.000 0.216 221 P C 1.653 178.968 177.300 0.024 0.000 1.154 221 P CA 0.813 63.844 63.100 -0.114 0.000 0.865 221 P CB -0.097 31.352 31.700 -0.418 0.000 0.789 222 V N -1.166 118.773 119.914 0.042 0.000 2.427 222 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 222 V C 2.302 178.487 176.094 0.152 0.000 1.051 222 V CA 1.883 64.225 62.300 0.070 0.000 1.048 222 V CB -1.076 30.777 31.823 0.050 0.000 0.666 222 V HN 0.223 nan 8.190 nan 0.000 0.456 223 H N -1.312 117.796 119.070 0.063 0.000 2.395 223 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 223 H C 2.297 177.685 175.328 0.101 0.000 1.070 223 H CA 1.566 57.666 56.048 0.087 0.000 1.356 223 H CB 0.435 30.258 29.762 0.100 0.000 1.401 223 H HN 0.454 nan 8.280 nan 0.000 0.524 224 Q N 0.465 120.316 119.800 0.085 0.000 2.187 224 Q HA 0.020 4.360 4.340 -0.000 0.000 0.199 224 Q C 2.278 178.247 176.000 -0.052 0.000 0.957 224 Q CA 1.187 56.976 55.803 -0.023 0.000 0.857 224 Q CB -0.109 28.660 28.738 0.050 0.000 0.929 224 Q HN 0.512 nan 8.270 nan 0.000 0.453 225 A N -0.262 122.564 122.820 0.010 0.000 1.940 225 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 225 A C 2.191 179.788 177.584 0.021 0.000 1.176 225 A CA 1.648 53.684 52.037 -0.002 0.000 0.631 225 A CB -1.300 17.713 19.000 0.023 0.000 0.814 225 A HN 0.525 nan 8.150 nan 0.000 0.446 226 G N -0.444 108.390 108.800 0.058 0.000 2.433 226 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 226 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 226 G C 1.807 176.769 174.900 0.105 0.000 1.186 226 G CA 1.599 46.750 45.100 0.085 0.000 0.779 226 G HN 0.813 nan 8.290 nan 0.000 0.543 227 A N 1.048 123.930 122.820 0.103 0.000 1.873 227 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 227 A C 2.431 180.175 177.584 0.268 0.000 1.193 227 A CA 1.729 53.879 52.037 0.188 0.000 0.629 227 A CB -0.552 18.519 19.000 0.119 0.000 0.826 227 A HN 0.397 nan 8.150 nan 0.000 0.447 228 I N -0.355 120.236 120.570 0.035 0.000 2.151 228 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 228 I C 2.713 178.975 176.117 0.242 0.000 1.080 228 I CA 1.336 62.668 61.300 0.054 0.000 1.339 228 I CB -0.762 37.066 38.000 -0.287 0.000 1.039 228 I HN 0.418 nan 8.210 nan 0.000 0.409 229 G N -0.412 108.469 108.800 0.135 0.000 2.421 229 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.216 229 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.216 229 G C 1.579 176.552 174.900 0.123 0.000 1.171 229 G CA 0.637 45.807 45.100 0.116 0.000 0.775 229 G HN 0.398 nan 8.290 nan 0.000 0.543 230 Q N -1.007 118.880 119.800 0.145 0.000 2.050 230 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 230 Q C 2.223 178.301 176.000 0.131 0.000 0.980 230 Q CA 1.509 57.385 55.803 0.121 0.000 0.840 230 Q CB -0.313 28.501 28.738 0.126 0.000 0.898 230 Q HN 0.607 nan 8.270 nan 0.000 0.424 231 W N 1.443 122.760 121.300 0.029 0.000 2.335 231 W HA -0.188 4.472 4.660 -0.000 0.000 0.311 231 W C 1.885 178.428 176.519 0.040 0.000 1.213 231 W CA 1.643 58.980 57.345 -0.014 0.000 1.274 231 W CB -0.132 29.367 29.460 0.065 0.000 1.148 231 W HN 0.029 nan 8.180 nan 0.000 0.498 232 R N 0.178 120.630 120.500 -0.079 0.000 2.148 232 R HA -0.120 4.220 4.340 -0.000 0.000 0.227 232 R C 2.013 178.205 176.300 -0.181 0.000 1.103 232 R CA 1.610 57.541 56.100 -0.281 0.000 0.983 232 R CB -0.492 29.781 30.300 -0.046 0.000 0.874 232 R HN 0.395 nan 8.270 nan 0.000 0.451 233 E N 0.820 120.974 120.200 -0.077 0.000 2.031 233 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 233 E C 2.073 178.632 176.600 -0.067 0.000 0.994 233 E CA 1.014 57.385 56.400 -0.049 0.000 0.800 233 E CB -0.072 29.622 29.700 -0.011 0.000 0.752 233 E HN 0.215 nan 8.360 nan 0.000 0.447 234 L N 0.359 121.534 121.223 -0.079 0.000 2.042 234 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 234 L C 2.454 179.324 176.870 -0.001 0.000 1.076 234 L CA 0.745 55.575 54.840 -0.017 0.000 0.749 234 L CB -0.409 41.627 42.059 -0.038 0.000 0.893 234 L HN 0.083 nan 8.230 nan 0.000 0.432 235 V N -0.238 119.526 119.914 -0.250 0.000 2.343 235 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 235 V C 2.542 178.624 176.094 -0.020 0.000 1.051 235 V CA 1.954 64.127 62.300 -0.212 0.000 1.036 235 V CB -0.399 31.091 31.823 -0.554 0.000 0.654 235 V HN 0.446 nan 8.190 nan 0.000 0.451 236 E N 0.490 120.654 120.200 -0.059 0.000 2.110 236 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 236 E C 1.770 178.359 176.600 -0.018 0.000 0.988 236 E CA 1.584 57.975 56.400 -0.015 0.000 0.804 236 E CB -0.349 29.337 29.700 -0.024 0.000 0.745 236 E HN 0.599 nan 8.360 nan 0.000 0.458 237 D N -0.751 119.627 120.400 -0.037 0.000 2.078 237 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 237 D C 1.843 178.031 176.300 -0.186 0.000 0.990 237 D CA 1.341 55.266 54.000 -0.124 0.000 0.827 237 D CB -0.523 40.165 40.800 -0.187 0.000 0.975 237 D HN 0.336 nan 8.370 nan 0.000 0.451 238 Y N -0.323 119.855 120.300 -0.204 0.000 2.263 238 Y HA -0.057 4.493 4.550 -0.000 0.000 0.292 238 Y C 0.719 176.250 175.900 -0.615 0.000 1.130 238 Y CA 1.028 58.885 58.100 -0.406 0.000 1.179 238 Y CB 0.006 38.205 38.460 -0.437 0.000 0.998 238 Y HN 0.114 nan 8.280 nan 0.000 0.532 239 H N -1.080 118.013 119.070 0.039 0.000 2.488 239 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 239 H C -2.706 172.636 175.328 0.023 0.000 1.395 239 H CA -2.462 53.592 56.048 0.011 0.000 1.491 239 H CB 0.161 29.945 29.762 0.037 0.000 1.567 239 H HN -0.089 nan 8.280 nan 0.000 0.508 240 P HA -0.061 nan 4.420 nan 0.000 0.264 240 P C 0.064 177.411 177.300 0.078 0.000 1.183 240 P CA 0.597 63.724 63.100 0.046 0.000 0.763 240 P CB 0.884 32.589 31.700 0.008 0.000 0.807 241 D N -1.798 118.646 120.400 0.073 0.000 2.911 241 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 241 D C 0.303 176.674 176.300 0.118 0.000 1.041 241 D CA 1.235 55.286 54.000 0.085 0.000 1.013 241 D CB -1.679 39.162 40.800 0.068 0.000 1.093 241 D HN 0.393 nan 8.370 nan 0.000 0.431 242 V N -0.730 119.267 119.914 0.138 0.000 2.509 242 V HA 0.617 4.737 4.120 -0.000 0.000 0.284 242 V C 0.146 176.348 176.094 0.180 0.000 1.047 242 V CA -0.960 61.429 62.300 0.149 0.000 0.952 242 V CB 1.337 33.243 31.823 0.139 0.000 0.988 242 V HN 0.027 nan 8.190 nan 0.000 0.469 243 F N 5.591 125.587 119.950 0.076 0.000 2.410 243 F HA 0.625 5.152 4.527 -0.000 0.000 0.348 243 F C 0.212 176.101 175.800 0.148 0.000 1.106 243 F CA -0.446 57.619 58.000 0.108 0.000 1.163 243 F CB 0.763 39.850 39.000 0.145 0.000 1.129 243 F HN 0.624 nan 8.300 nan 0.000 0.516 244 K N 7.646 127.662 120.400 -0.639 0.000 2.426 244 K HA 0.402 4.722 4.320 -0.000 0.000 0.254 244 K C -2.728 173.465 176.600 -0.678 0.000 0.936 244 K CA -1.905 54.100 56.287 -0.470 0.000 0.801 244 K CB 2.061 34.543 32.500 -0.029 0.000 1.139 244 K HN 0.335 nan 8.250 nan 0.000 0.424 245 P HA 0.138 nan 4.420 nan 0.000 0.274 245 P C -1.148 176.080 177.300 -0.120 0.000 1.231 245 P CA -0.321 62.451 63.100 -0.546 0.000 0.790 245 P CB 0.428 31.368 31.700 -1.267 0.000 0.951 246 F N 2.734 122.623 119.950 -0.102 0.000 2.482 246 F HA 0.619 5.145 4.527 -0.000 0.000 0.331 246 F C -0.918 174.763 175.800 -0.198 0.000 1.115 246 F CA -0.719 57.170 58.000 -0.184 0.000 0.955 246 F CB 0.766 39.739 39.000 -0.045 0.000 1.136 246 F HN 0.106 nan 8.300 nan 0.000 0.452 247 I N 5.071 125.017 120.570 -1.040 0.000 2.608 247 I HA 0.462 4.632 4.170 -0.000 0.000 0.295 247 I C -1.251 174.285 176.117 -0.967 0.000 1.049 247 I CA -0.646 60.250 61.300 -0.674 0.000 1.063 247 I CB 2.264 39.946 38.000 -0.531 0.000 1.248 247 I HN 0.681 nan 8.210 nan 0.000 0.424 248 Q N 5.762 125.187 119.800 -0.625 0.000 2.418 248 Q HA 0.660 5.000 4.340 -0.000 0.000 0.282 248 Q C -3.066 172.388 176.000 -0.910 0.000 1.044 248 Q CA -1.798 53.599 55.803 -0.675 0.000 0.813 248 Q CB 3.047 31.490 28.738 -0.492 0.000 1.428 248 Q HN 0.188 nan 8.270 nan 0.000 0.402 252 L N 2.286 123.447 121.223 -0.103 0.000 2.329 252 L HA 0.593 4.933 4.340 -0.000 0.000 0.279 252 L C -0.610 176.228 176.870 -0.052 0.000 1.014 252 L CA -0.295 54.519 54.840 -0.043 0.000 0.814 252 L CB 1.523 43.551 42.059 -0.051 0.000 1.257 252 L HN 0.680 nan 8.230 nan 0.000 0.424 253 D N 4.291 124.686 120.400 -0.009 0.000 2.408 253 D HA 0.225 4.865 4.640 -0.000 0.000 0.261 253 D C -1.397 174.906 176.300 0.006 0.000 1.190 253 D CA -0.247 53.745 54.000 -0.013 0.000 0.910 253 D CB 0.617 41.411 40.800 -0.010 0.000 1.097 253 D HN 0.461 nan 8.370 nan 0.000 0.522 254 L N 3.332 124.556 121.223 0.001 0.000 2.260 254 L HA 0.400 4.740 4.340 -0.000 0.000 0.289 254 L C 0.183 177.059 176.870 0.010 0.000 1.057 254 L CA -0.150 54.696 54.840 0.009 0.000 0.811 254 L CB 0.873 42.938 42.059 0.010 0.000 1.184 254 L HN 0.324 nan 8.230 nan 0.000 0.429 255 S N 2.933 118.640 115.700 0.013 0.000 2.632 255 S HA 0.267 4.737 4.470 -0.000 0.000 0.271 255 S C 0.833 175.440 174.600 0.012 0.000 1.260 255 S CA -0.526 57.681 58.200 0.013 0.000 1.010 255 S CB 1.032 64.240 63.200 0.014 0.000 0.965 255 S HN 0.716 nan 8.310 nan 0.000 0.534 256 E N 0.373 120.581 120.200 0.013 0.000 2.204 256 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 256 E C -0.110 176.496 176.600 0.011 0.000 0.990 256 E CA 0.792 57.199 56.400 0.013 0.000 0.821 256 E CB -0.149 29.560 29.700 0.014 0.000 0.750 256 E HN 0.721 nan 8.360 nan 0.000 0.477 257 D N 0.432 120.838 120.400 0.010 0.000 2.352 257 D HA 0.042 4.681 4.640 -0.000 0.000 0.245 257 D C -1.896 174.408 176.300 0.007 0.000 1.224 257 D CA -2.330 51.675 54.000 0.008 0.000 0.879 257 D CB 1.335 42.140 40.800 0.008 0.000 1.057 257 D HN -0.165 nan 8.370 nan 0.000 0.491 258 P HA -0.076 nan 4.420 nan 0.000 0.221 258 P C 0.595 177.895 177.300 0.001 0.000 1.145 258 P CA 0.755 63.858 63.100 0.005 0.000 0.795 258 P CB 0.344 32.047 31.700 0.006 0.000 0.775 259 N N -0.868 117.832 118.700 0.000 0.000 2.299 259 N HA -0.013 4.727 4.740 -0.000 0.000 0.187 259 N C 0.487 175.996 175.510 -0.002 0.000 1.099 259 N CA 0.140 53.188 53.050 -0.003 0.000 0.867 259 N CB -0.044 38.442 38.487 -0.003 0.000 0.974 259 N HN 0.321 nan 8.380 nan 0.000 0.477 260 E N 2.416 122.617 120.200 0.002 0.000 2.465 260 E HA -0.088 4.262 4.350 -0.000 0.000 0.260 260 E C 0.456 177.058 176.600 0.003 0.000 0.980 260 E CA -0.404 55.999 56.400 0.005 0.000 0.927 260 E CB 0.691 30.397 29.700 0.010 0.000 0.934 260 E HN 0.173 nan 8.360 nan 0.000 0.459 261 R N 5.151 125.654 120.500 0.005 0.000 2.640 261 R HA 0.134 4.474 4.340 -0.000 0.000 0.270 261 R C -2.287 174.025 176.300 0.019 0.000 1.024 261 R CA -1.177 54.926 56.100 0.006 0.000 1.085 261 R CB -0.039 30.266 30.300 0.008 0.000 0.963 261 R HN 0.252 nan 8.270 nan 0.000 0.426 262 P HA 0.049 nan 4.420 nan 0.000 0.282 262 P C -0.805 176.574 177.300 0.132 0.000 1.274 262 P CA -0.049 63.084 63.100 0.055 0.000 0.770 262 P CB 1.398 33.068 31.700 -0.050 0.000 0.867 263 T N 3.807 118.462 114.554 0.168 0.000 2.812 263 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 263 T C -2.758 172.007 174.700 0.108 0.000 0.990 263 T CA -2.859 59.320 62.100 0.132 0.000 0.960 263 T CB 0.519 69.421 68.868 0.055 0.000 0.948 263 T HN 0.055 nan 8.240 nan 0.000 0.438 264 P HA 0.208 nan 4.420 nan 0.000 0.261 264 P C -0.359 176.822 177.300 -0.198 0.000 1.183 264 P CA 0.079 62.995 63.100 -0.307 0.000 0.761 264 P CB 0.020 31.583 31.700 -0.227 0.000 0.785 265 I N 0.285 120.707 120.570 -0.247 0.000 3.264 265 I HA 0.635 4.805 4.170 -0.000 0.000 0.309 265 I C 0.046 176.047 176.117 -0.195 0.000 1.099 265 I CA -2.162 59.044 61.300 -0.155 0.000 0.989 265 I CB 1.754 39.697 38.000 -0.094 0.000 1.250 265 I HN 0.127 nan 8.210 nan 0.000 0.478 266 R N 2.364 122.771 120.500 -0.155 0.000 2.421 266 R HA 0.390 4.730 4.340 -0.000 0.000 0.305 266 R C -0.325 175.799 176.300 -0.293 0.000 1.039 266 R CA -0.371 55.613 56.100 -0.193 0.000 1.003 266 R CB 0.136 30.344 30.300 -0.154 0.000 0.959 266 R HN 0.843 nan 8.270 nan 0.000 0.427 267 L N 1.360 122.401 121.223 -0.303 0.000 4.040 267 L HA -0.313 4.027 4.340 -0.000 0.000 0.410 267 L C 0.590 177.311 176.870 -0.248 0.000 1.187 267 L CA 0.918 55.542 54.840 -0.360 0.000 0.956 267 L CB -2.065 39.584 42.059 -0.683 0.000 2.022 267 L HN 1.181 nan 8.230 nan 0.000 0.897 268 G N -2.053 106.611 108.800 -0.226 0.000 2.399 268 G HA2 0.451 4.411 3.960 -0.000 0.000 0.256 268 G HA3 0.451 4.411 3.960 -0.000 0.000 0.256 268 G C -1.950 172.741 174.900 -0.348 0.000 1.236 268 G CA -0.460 44.560 45.100 -0.133 0.000 0.914 268 G HN -0.075 nan 8.290 nan 0.000 0.482 269 Y N -0.253 120.044 120.300 -0.005 0.000 2.492 269 Y HA 0.718 5.268 4.550 -0.000 0.000 0.346 269 Y C 0.251 176.143 175.900 -0.015 0.000 0.997 269 Y CA -0.763 57.333 58.100 -0.007 0.000 1.025 269 Y CB 2.376 40.836 38.460 0.000 0.000 1.263 269 Y HN 0.700 nan 8.280 nan 0.000 0.454 270 R N 1.526 122.101 120.500 0.126 0.000 2.308 270 R HA 0.727 5.067 4.340 -0.000 0.000 0.305 270 R C -0.916 175.442 176.300 0.096 0.000 1.053 270 R CA 0.220 56.367 56.100 0.078 0.000 0.957 270 R CB 1.145 31.470 30.300 0.041 0.000 1.022 270 R HN 0.743 nan 8.270 nan 0.000 0.461 271 T N 1.849 116.439 114.554 0.060 0.000 2.907 271 T HA 0.474 4.823 4.350 -0.000 0.000 0.344 271 T C -0.768 173.943 174.700 0.018 0.000 1.675 271 T CA -0.177 61.945 62.100 0.038 0.000 1.076 271 T CB 0.681 69.565 68.868 0.028 0.000 1.483 271 T HN 0.795 nan 8.240 nan 0.000 0.487 272 G N 1.212 110.017 108.800 0.008 0.000 2.528 272 G HA2 0.474 4.434 3.960 -0.000 0.000 0.289 272 G HA3 0.474 4.434 3.960 -0.000 0.000 0.289 272 G C 0.929 175.829 174.900 -0.000 0.000 1.192 272 G CA -0.150 44.952 45.100 0.004 0.000 0.921 272 G HN 1.006 nan 8.290 nan 0.000 0.512 273 R N -0.048 120.455 120.500 0.005 0.000 2.105 273 R HA -0.042 4.298 4.340 -0.000 0.000 0.239 273 R C 1.975 178.279 176.300 0.006 0.000 1.135 273 R CA 1.512 57.618 56.100 0.011 0.000 0.967 273 R CB -0.247 30.066 30.300 0.021 0.000 0.861 273 R HN 0.471 nan 8.270 nan 0.000 0.442 274 K N 0.758 121.155 120.400 -0.004 0.000 2.009 274 K HA -0.079 4.241 4.320 -0.000 0.000 0.210 274 K C 2.360 178.939 176.600 -0.034 0.000 1.049 274 K CA 1.709 57.984 56.287 -0.019 0.000 0.929 274 K CB -0.290 32.198 32.500 -0.020 0.000 0.714 274 K HN 0.337 nan 8.250 nan 0.000 0.440 275 A N 1.630 124.427 122.820 -0.039 0.000 1.969 275 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 275 A C 2.032 179.563 177.584 -0.087 0.000 1.169 275 A CA 0.833 52.832 52.037 -0.065 0.000 0.635 275 A CB -0.520 18.442 19.000 -0.063 0.000 0.810 275 A HN 0.262 nan 8.150 nan 0.000 0.445 276 L N 0.008 121.194 121.223 -0.062 0.000 1.990 276 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 276 L C 2.369 179.213 176.870 -0.043 0.000 1.072 276 L CA 2.232 57.032 54.840 -0.065 0.000 0.755 276 L CB -0.583 41.458 42.059 -0.029 0.000 0.889 276 L HN 0.463 nan 8.230 nan 0.000 0.432 277 I N -0.207 120.372 120.570 0.016 0.000 2.208 277 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 277 I C 2.561 178.723 176.117 0.075 0.000 1.097 277 I CA 1.043 62.409 61.300 0.109 0.000 1.363 277 I CB -0.380 37.640 38.000 0.033 0.000 1.051 277 I HN 0.309 nan 8.210 nan 0.000 0.413 278 E N 0.771 120.958 120.200 -0.022 0.000 2.051 278 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 278 E C 2.318 178.866 176.600 -0.085 0.000 0.991 278 E CA 1.049 57.418 56.400 -0.052 0.000 0.799 278 E CB -0.420 29.232 29.700 -0.081 0.000 0.748 278 E HN 0.488 nan 8.360 nan 0.000 0.449 279 L N 0.656 121.789 121.223 -0.150 0.000 1.989 279 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 279 L C 2.512 179.302 176.870 -0.135 0.000 1.071 279 L CA 1.238 55.927 54.840 -0.251 0.000 0.749 279 L CB -0.343 41.520 42.059 -0.326 0.000 0.890 279 L HN 0.166 nan 8.230 nan 0.000 0.431 280 L N -0.851 120.330 121.223 -0.071 0.000 2.083 280 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 280 L C 2.197 179.096 176.870 0.049 0.000 1.083 280 L CA 1.120 55.880 54.840 -0.133 0.000 0.752 280 L CB -0.705 40.937 42.059 -0.696 0.000 0.899 280 L HN 0.316 nan 8.230 nan 0.000 0.433 281 D N 0.291 120.807 120.400 0.192 0.000 2.178 281 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 281 D C 2.279 178.626 176.300 0.079 0.000 0.974 281 D CA 1.165 55.287 54.000 0.204 0.000 0.841 281 D CB 0.139 41.021 40.800 0.136 0.000 0.953 281 D HN 0.350 nan 8.370 nan 0.000 0.478 282 I N -0.184 120.375 120.570 -0.018 0.000 2.286 282 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 282 I C 2.187 178.276 176.117 -0.047 0.000 1.104 282 I CA 0.792 62.042 61.300 -0.084 0.000 1.397 282 I CB -0.273 37.606 38.000 -0.202 0.000 1.072 282 I HN 0.002 nan 8.210 nan 0.000 0.417 283 Y N 1.057 121.340 120.300 -0.028 0.000 2.128 283 Y HA -0.331 4.219 4.550 -0.000 0.000 0.284 283 Y C 2.746 178.656 175.900 0.016 0.000 1.154 283 Y CA 1.506 59.592 58.100 -0.022 0.000 1.149 283 Y CB -0.168 38.255 38.460 -0.062 0.000 0.976 283 Y HN 0.067 nan 8.280 nan 0.000 0.505 284 K N 0.351 120.876 120.400 0.207 0.000 2.074 284 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 284 K C 2.233 178.918 176.600 0.141 0.000 1.048 284 K CA 1.915 58.310 56.287 0.181 0.000 0.926 284 K CB -0.280 32.355 32.500 0.225 0.000 0.713 284 K HN 0.345 nan 8.250 nan 0.000 0.444 285 S N 0.816 116.579 115.700 0.105 0.000 2.436 285 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 285 S C 1.927 176.567 174.600 0.067 0.000 1.014 285 S CA 0.692 58.935 58.200 0.072 0.000 0.950 285 S CB -0.602 62.623 63.200 0.042 0.000 0.784 285 S HN 0.545 nan 8.310 nan 0.000 0.504 286 I N -1.969 118.644 120.570 0.070 0.000 3.564 286 I HA 0.502 4.672 4.170 -0.000 0.000 0.294 286 I C 1.333 177.489 176.117 0.064 0.000 1.289 286 I CA 0.353 61.686 61.300 0.056 0.000 1.325 286 I CB -0.543 37.480 38.000 0.038 0.000 1.039 286 I HN 0.395 nan 8.210 nan 0.000 0.474 287 G N 1.236 110.102 108.800 0.111 0.000 2.138 287 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 287 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 287 G C 0.017 175.041 174.900 0.207 0.000 0.998 287 G CA -0.051 45.144 45.100 0.159 0.000 0.668 287 G HN 0.255 nan 8.290 nan 0.000 0.516 288 V N 1.400 121.435 119.914 0.202 0.000 2.555 288 V HA 0.260 4.379 4.120 -0.000 0.000 0.286 288 V C 1.198 177.447 176.094 0.259 0.000 1.044 288 V CA 0.178 62.645 62.300 0.278 0.000 1.026 288 V CB 1.411 33.334 31.823 0.166 0.000 0.981 288 V HN 0.385 nan 8.190 nan 0.000 0.480 289 N N 2.085 120.973 118.700 0.315 0.000 2.414 289 N HA 0.064 4.804 4.740 -0.000 0.000 0.177 289 N C 0.085 175.803 175.510 0.347 0.000 1.062 289 N CA 0.345 53.617 53.050 0.370 0.000 0.890 289 N CB 0.628 39.432 38.487 0.528 0.000 1.070 289 N HN 0.807 nan 8.380 nan 0.000 0.454 290 H N -0.129 119.030 119.070 0.147 0.000 2.856 290 H HA 0.540 5.096 4.556 -0.000 0.000 0.355 290 H C -1.708 173.578 175.328 -0.070 0.000 1.079 290 H CA -0.509 55.567 56.048 0.046 0.000 1.240 290 H CB 1.482 31.294 29.762 0.082 0.000 1.701 290 H HN -0.115 nan 8.280 nan 0.000 0.527 291 L N 6.772 127.647 121.223 -0.579 0.000 2.409 291 L HA 0.509 4.849 4.340 -0.000 0.000 0.272 291 L C -1.570 175.019 176.870 -0.469 0.000 0.980 291 L CA -0.913 53.623 54.840 -0.506 0.000 0.826 291 L CB 0.664 42.449 42.059 -0.458 0.000 1.268 291 L HN 0.625 nan 8.230 nan 0.000 0.407 292 F N 3.679 123.366 119.950 -0.438 0.000 2.520 292 F HA 0.709 5.236 4.527 -0.000 0.000 0.322 292 F C -1.519 174.181 175.800 -0.167 0.000 1.103 292 F CA -1.131 56.718 58.000 -0.251 0.000 0.926 292 F CB 1.015 39.885 39.000 -0.217 0.000 1.154 292 F HN 0.120 nan 8.300 nan 0.000 0.453 293 L N 4.038 125.290 121.223 0.048 0.000 2.265 293 L HA 0.657 4.997 4.340 -0.000 0.000 0.289 293 L C 0.111 176.897 176.870 -0.140 0.000 1.033 293 L CA -1.058 53.734 54.840 -0.079 0.000 0.814 293 L CB 1.473 43.531 42.059 -0.001 0.000 1.203 293 L HN 0.958 nan 8.230 nan 0.000 0.423 294 A N 5.114 127.683 122.820 -0.420 0.000 2.310 294 A HA 0.475 4.795 4.320 -0.000 0.000 0.300 294 A C 0.653 177.699 177.584 -0.896 0.000 1.269 294 A CA -0.397 51.016 52.037 -1.040 0.000 0.909 294 A CB 0.125 18.011 19.000 -1.856 0.000 1.144 294 A HN 0.872 nan 8.150 nan 0.000 0.540 295 L N 3.171 124.039 121.223 -0.591 0.000 2.629 295 L HA 0.088 4.428 4.340 -0.000 0.000 0.230 295 L C 1.083 177.823 176.870 -0.217 0.000 1.151 295 L CA 0.153 54.821 54.840 -0.287 0.000 0.924 295 L CB -0.652 41.352 42.059 -0.091 0.000 1.137 295 L HN 0.896 nan 8.230 nan 0.000 0.457 296 F N 1.662 121.401 119.950 -0.351 0.000 2.065 296 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 296 F C 2.081 177.549 175.800 -0.554 0.000 1.112 296 F CA 1.031 58.677 58.000 -0.590 0.000 1.212 296 F CB -0.354 38.170 39.000 -0.792 0.000 0.975 296 F HN 0.363 nan 8.300 nan 0.000 0.476 297 D N -0.156 120.107 120.400 -0.229 0.000 2.325 297 D HA 0.130 4.770 4.640 -0.000 0.000 0.225 297 D C 0.825 177.034 176.300 -0.151 0.000 1.096 297 D CA 0.059 53.921 54.000 -0.231 0.000 0.844 297 D CB -0.646 40.047 40.800 -0.178 0.000 0.925 297 D HN 0.106 nan 8.370 nan 0.000 0.513 298 G N 0.267 108.991 108.800 -0.126 0.000 2.441 298 G HA2 0.016 3.976 3.960 -0.000 0.000 0.243 298 G HA3 0.016 3.976 3.960 -0.000 0.000 0.243 298 G C 0.737 175.608 174.900 -0.048 0.000 1.281 298 G CA -0.427 44.630 45.100 -0.072 0.000 0.854 298 G HN -0.061 nan 8.290 nan 0.000 0.560 299 Q N 1.120 120.907 119.800 -0.023 0.000 2.079 299 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 299 Q C 1.340 177.344 176.000 0.007 0.000 0.974 299 Q CA 1.063 56.864 55.803 -0.004 0.000 0.840 299 Q CB 0.007 28.749 28.738 0.007 0.000 0.898 299 Q HN 0.573 nan 8.270 nan 0.000 0.430 300 R N 1.474 121.978 120.500 0.007 0.000 2.490 300 R HA 0.225 4.565 4.340 -0.000 0.000 0.278 300 R C -2.177 174.136 176.300 0.022 0.000 1.069 300 R CA -1.788 54.323 56.100 0.017 0.000 1.080 300 R CB 0.032 30.343 30.300 0.018 0.000 1.030 300 R HN 0.030 nan 8.270 nan 0.000 0.491 301 P HA -0.106 nan 4.420 nan 0.000 0.266 301 P C -0.193 177.135 177.300 0.045 0.000 1.193 301 P CA 0.332 63.458 63.100 0.043 0.000 0.770 301 P CB 0.730 32.458 31.700 0.047 0.000 0.836 302 A N 3.372 126.226 122.820 0.056 0.000 2.015 302 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 302 A C 1.678 179.301 177.584 0.065 0.000 1.163 302 A CA 1.893 53.964 52.037 0.058 0.000 0.646 302 A CB -1.222 17.824 19.000 0.077 0.000 0.806 302 A HN 0.612 nan 8.150 nan 0.000 0.448 303 D N 1.270 121.711 120.400 0.069 0.000 2.116 303 D HA -0.281 4.359 4.640 -0.000 0.000 0.193 303 D C 1.625 177.975 176.300 0.084 0.000 0.998 303 D CA 1.870 55.916 54.000 0.076 0.000 0.836 303 D CB -0.891 39.950 40.800 0.068 0.000 0.951 303 D HN 0.775 nan 8.370 nan 0.000 0.449 304 E N 0.723 120.963 120.200 0.067 0.000 2.112 304 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 304 E C 2.265 178.898 176.600 0.056 0.000 0.979 304 E CA 0.617 57.055 56.400 0.062 0.000 0.814 304 E CB -0.405 29.323 29.700 0.048 0.000 0.762 304 E HN 0.184 nan 8.360 nan 0.000 0.460 305 V N 1.589 121.533 119.914 0.050 0.000 2.287 305 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 305 V C 2.400 178.532 176.094 0.063 0.000 1.053 305 V CA 1.684 64.010 62.300 0.043 0.000 1.027 305 V CB -0.526 31.315 31.823 0.031 0.000 0.646 305 V HN 0.221 nan 8.190 nan 0.000 0.447 306 L N 0.271 121.547 121.223 0.089 0.000 2.079 306 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 306 L C 2.096 179.059 176.870 0.155 0.000 1.081 306 L CA 2.073 56.999 54.840 0.144 0.000 0.752 306 L CB -0.822 41.323 42.059 0.143 0.000 0.896 306 L HN 0.310 nan 8.230 nan 0.000 0.433 307 D N -0.644 119.842 120.400 0.144 0.000 2.117 307 D HA -0.214 4.426 4.640 -0.000 0.000 0.198 307 D C 2.035 178.260 176.300 -0.125 0.000 0.982 307 D CA 1.315 55.361 54.000 0.076 0.000 0.828 307 D CB 0.061 40.947 40.800 0.144 0.000 0.967 307 D HN 0.541 nan 8.370 nan 0.000 0.464 308 E N 0.317 120.492 120.200 -0.043 0.000 2.051 308 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 308 E C 2.381 178.927 176.600 -0.090 0.000 0.991 308 E CA 0.503 56.872 56.400 -0.052 0.000 0.799 308 E CB -0.051 29.644 29.700 -0.007 0.000 0.748 308 E HN 0.183 nan 8.360 nan 0.000 0.449 309 L N 0.001 121.193 121.223 -0.051 0.000 2.043 309 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 309 L C 2.606 179.364 176.870 -0.186 0.000 1.075 309 L CA 1.380 56.198 54.840 -0.036 0.000 0.752 309 L CB -0.643 41.493 42.059 0.127 0.000 0.891 309 L HN 0.287 nan 8.230 nan 0.000 0.432 310 G N -0.739 107.800 108.800 -0.435 0.000 2.408 310 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 310 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 310 G C 1.491 176.018 174.900 -0.622 0.000 1.150 310 G CA 0.517 45.064 45.100 -0.922 0.000 0.776 310 G HN 0.390 nan 8.290 nan 0.000 0.542 311 E N -0.314 119.601 120.200 -0.475 0.000 2.086 311 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 311 E C 2.306 178.819 176.600 -0.146 0.000 0.975 311 E CA 0.783 57.049 56.400 -0.223 0.000 0.813 311 E CB 0.184 29.804 29.700 -0.133 0.000 0.768 311 E HN 0.238 nan 8.360 nan 0.000 0.457 312 E N -0.467 119.662 120.200 -0.118 0.000 2.330 312 E HA 0.036 4.386 4.350 -0.000 0.000 0.200 312 E C 1.999 178.607 176.600 0.013 0.000 0.922 312 E CA 0.383 56.756 56.400 -0.045 0.000 0.935 312 E CB 0.592 30.289 29.700 -0.005 0.000 0.917 312 E HN 0.070 nan 8.360 nan 0.000 0.491 313 V N 1.415 121.333 119.914 0.006 0.000 2.581 313 V HA -0.028 4.092 4.120 -0.000 0.000 0.240 313 V C 2.329 178.482 176.094 0.097 0.000 1.054 313 V CA 0.491 62.868 62.300 0.128 0.000 1.076 313 V CB -0.138 31.731 31.823 0.078 0.000 0.748 313 V HN 0.180 nan 8.190 nan 0.000 0.474 314 L N 0.493 121.664 121.223 -0.087 0.000 2.079 314 L HA -0.103 4.236 4.340 -0.000 0.000 0.210 314 L C 0.010 176.806 176.870 -0.123 0.000 1.081 314 L CA 2.377 57.133 54.840 -0.140 0.000 0.752 314 L CB -2.350 39.554 42.059 -0.258 0.000 0.896 314 L HN 0.358 nan 8.230 nan 0.000 0.433 315 P HA -0.135 nan 4.420 nan 0.000 0.221 315 P C 1.240 178.322 177.300 -0.364 0.000 1.145 315 P CA 1.247 64.173 63.100 -0.290 0.000 0.795 315 P CB -0.124 31.353 31.700 -0.370 0.000 0.775 316 H N -2.548 116.401 119.070 -0.202 0.000 2.548 316 H HA 0.181 4.737 4.556 -0.000 0.000 0.268 316 H C 0.123 174.882 175.328 -0.950 0.000 0.975 316 H CA 0.703 56.435 56.048 -0.527 0.000 1.195 316 H CB -0.141 29.264 29.762 -0.596 0.000 1.397 316 H HN 0.235 nan 8.280 nan 0.000 0.572 317 F N 1.422 121.364 119.950 -0.013 0.000 2.708 317 F HA 0.271 4.798 4.527 -0.000 0.000 0.344 317 F C -2.405 173.342 175.800 -0.089 0.000 1.447 317 F CA -1.996 55.977 58.000 -0.044 0.000 1.140 317 F CB 1.323 40.285 39.000 -0.063 0.000 1.657 317 F HN -0.103 nan 8.300 nan 0.000 0.598 318 P HA 0.235 nan 4.420 nan 0.000 0.274 318 P C -0.052 177.247 177.300 -0.002 0.000 1.237 318 P CA -0.199 62.889 63.100 -0.019 0.000 0.793 318 P CB 1.098 32.774 31.700 -0.040 0.000 0.977 319 A N 2.580 125.391 122.820 -0.015 0.000 2.540 319 A HA 0.166 4.486 4.320 -0.000 0.000 0.239 319 A C 0.718 178.287 177.584 -0.026 0.000 1.061 319 A CA 0.007 52.030 52.037 -0.024 0.000 0.758 319 A CB -0.820 18.166 19.000 -0.023 0.000 0.991 319 A HN 0.494 nan 8.150 nan 0.000 0.502 320 L N 0.000 121.199 121.223 -0.040 0.000 2.949 320 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 320 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 320 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502