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 2wgf_1_C DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.568 174.600 -0.053 0.000 1.055 2 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 2 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 3 Q N 4.753 124.524 119.800 -0.048 0.000 2.286 3 Q HA 0.278 4.618 4.340 0.000 0.000 0.267 3 Q C -2.239 173.685 176.000 -0.125 0.000 1.028 3 Q CA -1.611 54.155 55.803 -0.061 0.000 0.901 3 Q CB 0.221 28.946 28.738 -0.022 0.000 1.183 3 Q HN 0.507 nan 8.270 nan 0.000 0.392 4 P HA -0.041 nan 4.420 nan 0.000 0.264 4 P C -0.503 176.482 177.300 -0.525 0.000 1.183 4 P CA 0.335 63.151 63.100 -0.473 0.000 0.763 4 P CB 0.683 31.941 31.700 -0.737 0.000 0.807 5 S N 0.319 115.787 115.700 -0.387 0.000 2.570 5 S HA 0.326 4.796 4.470 0.000 0.000 0.270 5 S C 1.022 175.683 174.600 0.102 0.000 1.149 5 S CA -0.498 57.685 58.200 -0.029 0.000 0.837 5 S CB 0.986 64.213 63.200 0.045 0.000 1.124 5 S HN 0.288 nan 8.310 nan 0.000 0.465 6 T N 2.017 116.800 114.554 0.381 0.000 2.665 6 T HA -0.130 4.221 4.350 0.000 0.000 0.268 6 T C 2.191 176.982 174.700 0.151 0.000 1.035 6 T CA 2.254 64.548 62.100 0.322 0.000 1.151 6 T CB -1.011 68.060 68.868 0.339 0.000 0.862 6 T HN 1.002 nan 8.240 nan 0.000 0.438 7 A N 2.717 125.595 122.820 0.097 0.000 1.978 7 A HA -0.157 4.163 4.320 0.000 0.000 0.220 7 A C 1.853 179.454 177.584 0.028 0.000 1.170 7 A CA 1.883 53.949 52.037 0.049 0.000 0.636 7 A CB -0.576 18.429 19.000 0.008 0.000 0.810 7 A HN 0.695 nan 8.150 nan 0.000 0.448 8 N N -1.636 117.067 118.700 0.006 0.000 2.251 8 N HA 0.302 5.042 4.740 0.000 0.000 0.217 8 N C 0.852 176.347 175.510 -0.026 0.000 1.124 8 N CA 0.739 53.779 53.050 -0.017 0.000 0.843 8 N CB -0.322 38.142 38.487 -0.039 0.000 1.024 8 N HN 0.675 nan 8.380 nan 0.000 0.501 9 G N -1.173 107.625 108.800 -0.003 0.000 2.168 9 G HA2 -0.298 3.662 3.960 0.000 0.000 0.263 9 G HA3 -0.298 3.662 3.960 0.000 0.000 0.263 9 G C 1.003 175.872 174.900 -0.052 0.000 0.977 9 G CA 0.398 45.496 45.100 -0.003 0.000 0.659 9 G HN 0.675 nan 8.290 nan 0.000 0.533 10 G N -0.546 108.174 108.800 -0.134 0.000 2.402 10 G HA2 0.272 4.233 3.960 0.000 0.000 0.216 10 G HA3 0.272 4.233 3.960 0.000 0.000 0.216 10 G C 0.527 175.208 174.900 -0.366 0.000 1.162 10 G CA 0.930 45.847 45.100 -0.305 0.000 0.777 10 G HN 0.443 nan 8.290 nan 0.000 0.539 11 F N 0.743 120.692 119.950 -0.001 0.000 2.458 11 F HA 0.518 5.045 4.527 0.000 0.000 0.330 11 F C -2.056 173.730 175.800 -0.023 0.000 1.082 11 F CA -3.177 54.794 58.000 -0.049 0.000 0.995 11 F CB 1.391 40.355 39.000 -0.060 0.000 1.170 11 F HN -0.194 nan 8.300 nan 0.000 0.478 12 P HA 0.019 nan 4.420 nan 0.000 0.268 12 P C -0.460 176.917 177.300 0.129 0.000 1.208 12 P CA -0.209 62.946 63.100 0.092 0.000 0.777 12 P CB 0.588 32.308 31.700 0.033 0.000 0.875 13 S N 1.393 117.171 115.700 0.130 0.000 2.488 13 S HA 0.216 4.686 4.470 0.000 0.000 0.278 13 S C -0.281 174.411 174.600 0.154 0.000 1.259 13 S CA -0.462 57.836 58.200 0.162 0.000 1.061 13 S CB -0.483 62.807 63.200 0.151 0.000 0.910 13 S HN 0.143 nan 8.310 nan 0.000 0.491 14 V N 6.796 126.830 119.914 0.200 0.000 2.435 14 V HA 0.557 4.677 4.120 0.000 0.000 0.290 14 V C 0.135 176.339 176.094 0.183 0.000 1.030 14 V CA -0.739 61.672 62.300 0.185 0.000 0.881 14 V CB 1.303 33.284 31.823 0.264 0.000 0.983 14 V HN 0.761 nan 8.190 nan 0.000 0.445 15 V N 2.794 122.790 119.914 0.137 0.000 2.815 15 V HA 0.734 4.854 4.120 0.000 0.000 0.314 15 V C -0.335 175.810 176.094 0.086 0.000 1.064 15 V CA -0.861 61.507 62.300 0.112 0.000 0.952 15 V CB 1.953 33.804 31.823 0.048 0.000 1.020 15 V HN 0.466 nan 8.190 nan 0.000 0.439 16 V N 3.559 123.523 119.914 0.083 0.000 2.348 16 V HA 0.332 4.452 4.120 0.000 0.000 0.270 16 V C 1.316 177.395 176.094 -0.024 0.000 1.037 16 V CA 0.593 62.931 62.300 0.063 0.000 0.872 16 V CB 0.585 32.474 31.823 0.109 0.000 1.002 16 V HN 1.158 nan 8.190 nan 0.000 0.464 17 T N 0.729 115.262 114.554 -0.035 0.000 3.069 17 T HA 0.636 4.986 4.350 0.000 0.000 0.252 17 T C 0.383 175.035 174.700 -0.080 0.000 1.053 17 T CA 0.452 62.504 62.100 -0.080 0.000 0.964 17 T CB 0.538 69.357 68.868 -0.082 0.000 1.005 17 T HN 0.958 nan 8.240 nan 0.000 0.532 18 A N 0.903 123.690 122.820 -0.054 0.000 2.599 18 A HA 0.681 5.002 4.320 0.000 0.000 0.294 18 A C -1.351 176.213 177.584 -0.032 0.000 1.055 18 A CA -0.694 51.312 52.037 -0.052 0.000 0.683 18 A CB 1.365 20.330 19.000 -0.057 0.000 1.278 18 A HN 1.010 nan 8.150 nan 0.000 0.412 19 V N -1.374 118.516 119.914 -0.041 0.000 2.733 19 V HA 0.942 5.062 4.120 0.000 0.000 0.306 19 V C -0.526 175.555 176.094 -0.022 0.000 1.084 19 V CA 0.029 62.306 62.300 -0.038 0.000 0.905 19 V CB 1.084 32.856 31.823 -0.085 0.000 1.010 19 V HN 1.586 nan 8.190 nan 0.000 0.424 20 T N 2.304 116.857 114.554 -0.001 0.000 2.906 20 T HA 0.966 5.316 4.350 0.000 0.000 0.295 20 T C -0.614 174.092 174.700 0.011 0.000 1.075 20 T CA 0.238 62.343 62.100 0.007 0.000 1.005 20 T CB 1.746 70.627 68.868 0.021 0.000 1.136 20 T HN 2.495 nan 8.240 nan 0.000 0.498 21 A N 1.507 124.337 122.820 0.017 0.000 2.586 21 A HA 0.595 4.915 4.320 0.000 0.000 0.296 21 A C -0.656 176.952 177.584 0.039 0.000 1.040 21 A CA -0.569 51.484 52.037 0.027 0.000 0.701 21 A CB 1.245 20.259 19.000 0.024 0.000 1.277 21 A HN 0.851 nan 8.150 nan 0.000 0.413 22 T N 1.041 115.624 114.554 0.049 0.000 2.807 22 T HA 0.804 5.154 4.350 0.000 0.000 0.279 22 T C 0.054 174.802 174.700 0.081 0.000 0.993 22 T CA 0.575 62.714 62.100 0.066 0.000 0.970 22 T CB 0.857 69.766 68.868 0.069 0.000 0.950 22 T HN 2.024 nan 8.240 nan 0.000 0.441 23 T N 0.234 114.842 114.554 0.090 0.000 2.804 23 T HA 0.447 4.798 4.350 0.000 0.000 0.290 23 T C 1.437 176.204 174.700 0.112 0.000 1.099 23 T CA 0.028 62.186 62.100 0.096 0.000 1.011 23 T CB 0.946 69.868 68.868 0.090 0.000 1.291 23 T HN 0.486 nan 8.240 nan 0.000 0.523 24 S N -0.222 115.548 115.700 0.117 0.000 2.507 24 S HA 0.055 4.525 4.470 0.000 0.000 0.235 24 S C 1.758 176.433 174.600 0.125 0.000 0.988 24 S CA 0.325 58.609 58.200 0.141 0.000 0.944 24 S CB -0.807 62.482 63.200 0.149 0.000 0.762 24 S HN 0.610 nan 8.310 nan 0.000 0.526 25 I N 0.182 120.815 120.570 0.105 0.000 2.494 25 I HA 0.139 4.310 4.170 0.000 0.000 0.250 25 I C 1.130 177.296 176.117 0.082 0.000 1.112 25 I CA 0.536 61.890 61.300 0.090 0.000 1.438 25 I CB 0.246 38.298 38.000 0.086 0.000 1.111 25 I HN 0.363 nan 8.210 nan 0.000 0.431 26 S N -1.219 114.533 115.700 0.087 0.000 2.578 26 S HA 0.321 4.791 4.470 0.000 0.000 0.272 26 S C -2.363 172.285 174.600 0.081 0.000 1.145 26 S CA -0.869 57.379 58.200 0.080 0.000 0.835 26 S CB 1.655 64.900 63.200 0.075 0.000 1.104 26 S HN -0.246 nan 8.310 nan 0.000 0.458 27 P HA 0.158 nan 4.420 nan 0.000 0.225 27 P C -0.359 176.973 177.300 0.052 0.000 1.156 27 P CA 0.665 63.806 63.100 0.068 0.000 0.787 27 P CB -0.078 31.666 31.700 0.074 0.000 0.802 28 D N -0.715 119.719 120.400 0.057 0.000 2.317 28 D HA 0.132 4.772 4.640 0.000 0.000 0.234 28 D C 1.048 177.389 176.300 0.068 0.000 1.112 28 D CA -0.489 53.542 54.000 0.052 0.000 0.840 28 D CB 0.406 41.236 40.800 0.050 0.000 1.078 28 D HN -0.262 nan 8.370 nan 0.000 0.486 29 I N 3.495 124.099 120.570 0.057 0.000 2.264 29 I HA -0.197 3.973 4.170 0.000 0.000 0.248 29 I C 1.581 177.773 176.117 0.125 0.000 1.111 29 I CA 1.669 63.011 61.300 0.070 0.000 1.382 29 I CB 0.010 38.020 38.000 0.018 0.000 1.060 29 I HN 0.489 nan 8.210 nan 0.000 0.418 30 E N 0.034 120.300 120.200 0.111 0.000 2.274 30 E HA -0.095 4.255 4.350 0.000 0.000 0.194 30 E C 2.261 178.972 176.600 0.186 0.000 0.996 30 E CA 1.147 57.652 56.400 0.176 0.000 0.840 30 E CB -0.178 29.594 29.700 0.119 0.000 0.772 30 E HN 0.524 nan 8.360 nan 0.000 0.491 31 S N 0.362 116.138 115.700 0.127 0.000 2.388 31 S HA -0.053 4.417 4.470 0.000 0.000 0.223 31 S C 2.109 176.772 174.600 0.104 0.000 1.034 31 S CA 1.040 59.298 58.200 0.096 0.000 0.963 31 S CB -0.181 63.062 63.200 0.070 0.000 0.827 31 S HN 0.242 nan 8.310 nan 0.000 0.481 32 T N 1.544 116.177 114.554 0.131 0.000 2.720 32 T HA -0.168 4.182 4.350 0.000 0.000 0.268 32 T C 1.334 176.153 174.700 0.198 0.000 1.037 32 T CA 1.155 63.342 62.100 0.145 0.000 1.144 32 T CB -0.362 68.597 68.868 0.151 0.000 0.864 32 T HN 0.603 nan 8.240 nan 0.000 0.444 33 W N 2.070 123.380 121.300 0.016 0.000 2.358 33 W HA -0.105 4.555 4.660 0.000 0.000 0.303 33 W C 2.063 178.581 176.519 -0.003 0.000 1.208 33 W CA 0.968 58.316 57.345 0.005 0.000 1.274 33 W CB -0.113 29.345 29.460 -0.005 0.000 1.138 33 W HN 0.227 nan 8.180 nan 0.000 0.515 34 K N -0.184 120.187 120.400 -0.048 0.000 2.057 34 K HA -0.137 4.184 4.320 0.000 0.000 0.207 34 K C 2.283 178.797 176.600 -0.144 0.000 1.049 34 K CA 1.564 57.761 56.287 -0.150 0.000 0.931 34 K CB -0.844 31.638 32.500 -0.030 0.000 0.714 34 K HN 0.226 nan 8.250 nan 0.000 0.440 35 G N 1.341 110.106 108.800 -0.058 0.000 2.402 35 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 35 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 35 G C 1.514 176.376 174.900 -0.064 0.000 1.162 35 G CA 0.343 45.420 45.100 -0.038 0.000 0.777 35 G HN 0.093 nan 8.290 nan 0.000 0.539 36 L N -0.094 121.087 121.223 -0.071 0.000 2.043 36 L HA -0.087 4.253 4.340 0.000 0.000 0.212 36 L C 2.923 179.677 176.870 -0.194 0.000 1.075 36 L CA 0.839 55.634 54.840 -0.074 0.000 0.752 36 L CB -0.340 41.714 42.059 -0.008 0.000 0.891 36 L HN 0.215 nan 8.230 nan 0.000 0.432 37 L N -0.651 120.354 121.223 -0.362 0.000 2.093 37 L HA -0.139 4.201 4.340 0.000 0.000 0.208 37 L C 2.523 179.266 176.870 -0.212 0.000 1.085 37 L CA 0.939 55.547 54.840 -0.388 0.000 0.755 37 L CB -0.595 41.149 42.059 -0.525 0.000 0.904 37 L HN 0.211 nan 8.230 nan 0.000 0.435 38 A N -0.186 122.543 122.820 -0.152 0.000 2.235 38 A HA 0.234 4.554 4.320 0.000 0.000 0.208 38 A C 1.677 179.229 177.584 -0.053 0.000 1.172 38 A CA 0.717 52.703 52.037 -0.084 0.000 0.786 38 A CB -0.736 18.228 19.000 -0.060 0.000 0.804 38 A HN 0.539 nan 8.150 nan 0.000 0.479 39 G N -0.330 108.436 108.800 -0.057 0.000 2.160 39 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 39 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 39 G C -0.208 174.695 174.900 0.004 0.000 1.022 39 G CA 0.329 45.418 45.100 -0.019 0.000 0.741 39 G HN 0.686 nan 8.290 nan 0.000 0.508 40 E N 0.016 120.217 120.200 0.002 0.000 2.349 40 E HA 0.534 4.884 4.350 0.000 0.000 0.265 40 E C 0.160 176.785 176.600 0.041 0.000 1.064 40 E CA 0.106 56.518 56.400 0.021 0.000 0.886 40 E CB 1.382 31.093 29.700 0.019 0.000 1.036 40 E HN 0.166 nan 8.360 nan 0.000 0.413 41 S N -0.135 115.594 115.700 0.049 0.000 2.532 41 S HA 0.509 4.979 4.470 0.000 0.000 0.301 41 S C 0.417 175.063 174.600 0.078 0.000 1.083 41 S CA -0.463 57.773 58.200 0.060 0.000 1.025 41 S CB 1.441 64.674 63.200 0.055 0.000 1.056 41 S HN 0.603 nan 8.310 nan 0.000 0.494 42 G N 2.825 111.678 108.800 0.088 0.000 3.126 42 G HA2 0.225 4.185 3.960 0.000 0.000 0.224 42 G HA3 0.225 4.185 3.960 0.000 0.000 0.224 42 G C 0.182 175.176 174.900 0.157 0.000 1.142 42 G CA -0.114 45.059 45.100 0.122 0.000 0.759 42 G HN 0.593 nan 8.290 nan 0.000 0.550 43 I N 1.731 122.359 120.570 0.097 0.000 2.440 43 I HA 0.445 4.616 4.170 0.000 0.000 0.294 43 I C 0.192 176.357 176.117 0.080 0.000 0.995 43 I CA -0.832 60.482 61.300 0.023 0.000 1.306 43 I CB 0.539 38.531 38.000 -0.013 0.000 1.407 43 I HN 0.407 nan 8.210 nan 0.000 0.501 44 H N 2.254 121.339 119.070 0.025 0.000 2.960 44 H HA 0.797 5.353 4.556 0.000 0.000 0.323 44 H C -0.717 174.623 175.328 0.021 0.000 1.326 44 H CA -1.138 54.925 56.048 0.026 0.000 1.124 44 H CB 0.848 30.633 29.762 0.038 0.000 1.853 44 H HN 0.657 nan 8.280 nan 0.000 0.536 45 A N 1.275 124.186 122.820 0.152 0.000 2.477 45 A HA 0.326 4.646 4.320 0.000 0.000 0.246 45 A C -0.064 177.611 177.584 0.152 0.000 1.078 45 A CA -0.538 51.552 52.037 0.088 0.000 0.770 45 A CB -0.360 18.690 19.000 0.083 0.000 1.011 45 A HN 0.592 nan 8.150 nan 0.000 0.494 46 L N 2.866 124.111 121.223 0.037 0.000 2.385 46 L HA 0.126 4.466 4.340 0.000 0.000 0.281 46 L C 0.845 177.738 176.870 0.038 0.000 1.106 46 L CA -0.250 54.624 54.840 0.057 0.000 0.856 46 L CB 0.533 42.601 42.059 0.014 0.000 1.186 46 L HN 0.787 nan 8.230 nan 0.000 0.453 47 E N 1.184 121.428 120.200 0.073 0.000 2.442 47 E HA -0.003 4.347 4.350 0.000 0.000 0.195 47 E C -0.160 176.375 176.600 -0.108 0.000 1.030 47 E CA 0.136 56.535 56.400 -0.003 0.000 0.869 47 E CB 0.001 29.714 29.700 0.022 0.000 0.857 47 E HN 0.682 nan 8.360 nan 0.000 0.505 48 D N 1.823 122.098 120.400 -0.209 0.000 2.586 48 D HA -0.075 4.565 4.640 0.000 0.000 0.234 48 D C 0.980 176.970 176.300 -0.517 0.000 1.132 48 D CA 0.345 54.056 54.000 -0.482 0.000 0.860 48 D CB 0.595 40.753 40.800 -1.071 0.000 1.159 48 D HN -0.188 nan 8.370 nan 0.000 0.490 49 E N 1.447 121.479 120.200 -0.281 0.000 2.472 49 E HA -0.101 4.250 4.350 0.000 0.000 0.200 49 E C 1.308 177.875 176.600 -0.055 0.000 1.046 49 E CA 0.318 56.637 56.400 -0.135 0.000 0.871 49 E CB -0.134 29.531 29.700 -0.058 0.000 0.806 49 E HN 0.636 nan 8.360 nan 0.000 0.533 50 F N -2.240 117.776 119.950 0.110 0.000 2.456 50 F HA 0.028 4.555 4.527 0.000 0.000 0.298 50 F C 1.713 177.660 175.800 0.244 0.000 1.104 50 F CA 0.162 58.281 58.000 0.197 0.000 1.435 50 F CB -1.053 38.126 39.000 0.299 0.000 1.078 50 F HN -0.141 nan 8.300 nan 0.000 0.546 51 V N 1.269 121.288 119.914 0.175 0.000 2.407 51 V HA -0.254 3.866 4.120 0.000 0.000 0.248 51 V C 2.577 178.781 176.094 0.182 0.000 1.055 51 V CA 2.516 64.962 62.300 0.244 0.000 1.049 51 V CB -1.294 30.547 31.823 0.030 0.000 0.662 51 V HN 0.653 nan 8.190 nan 0.000 0.455 52 T N -2.588 112.014 114.554 0.080 0.000 3.051 52 T HA -0.031 4.319 4.350 0.000 0.000 0.255 52 T C 1.778 176.488 174.700 0.015 0.000 1.085 52 T CA 0.759 62.885 62.100 0.045 0.000 1.109 52 T CB -0.045 68.823 68.868 0.001 0.000 0.921 52 T HN 0.399 nan 8.240 nan 0.000 0.488 53 K N 0.164 120.557 120.400 -0.012 0.000 2.063 53 K HA -0.092 4.228 4.320 0.000 0.000 0.208 53 K C 1.174 177.575 176.600 -0.331 0.000 1.048 53 K CA 1.510 57.664 56.287 -0.222 0.000 0.928 53 K CB -0.135 32.183 32.500 -0.304 0.000 0.713 53 K HN 0.582 nan 8.250 nan 0.000 0.442 54 W N 0.137 121.502 121.300 0.110 0.000 2.975 54 W HA 0.174 4.834 4.660 0.000 0.000 0.316 54 W C -0.400 176.163 176.519 0.073 0.000 1.131 54 W CA -0.354 57.044 57.345 0.088 0.000 1.624 54 W CB 0.665 30.184 29.460 0.098 0.000 1.038 54 W HN 0.126 nan 8.180 nan 0.000 0.571 55 D N 1.362 121.913 120.400 0.253 0.000 2.746 55 D HA -0.181 4.460 4.640 0.000 0.000 0.241 55 D C -0.312 176.096 176.300 0.181 0.000 1.140 55 D CA 0.475 54.576 54.000 0.169 0.000 0.707 55 D CB -1.089 39.782 40.800 0.118 0.000 1.034 55 D HN 0.058 nan 8.370 nan 0.000 0.423 56 L N 0.065 121.419 121.223 0.218 0.000 2.485 56 L HA 0.274 4.614 4.340 0.000 0.000 0.275 56 L C 2.110 179.044 176.870 0.106 0.000 1.207 56 L CA 0.222 55.166 54.840 0.173 0.000 0.855 56 L CB 0.468 42.662 42.059 0.224 0.000 1.114 56 L HN 0.311 nan 8.230 nan 0.000 0.485 57 A N 3.623 126.483 122.820 0.066 0.000 2.067 57 A HA 0.041 4.361 4.320 0.000 0.000 0.219 57 A C 0.793 178.387 177.584 0.017 0.000 1.158 57 A CA 0.554 52.611 52.037 0.033 0.000 0.661 57 A CB -0.078 18.929 19.000 0.012 0.000 0.801 57 A HN 0.414 nan 8.150 nan 0.000 0.452 58 V N 0.758 120.689 119.914 0.027 0.000 2.350 58 V HA 0.221 4.341 4.120 0.000 0.000 0.276 58 V C 0.368 176.497 176.094 0.059 0.000 1.028 58 V CA -0.197 62.106 62.300 0.006 0.000 0.860 58 V CB 1.154 32.956 31.823 -0.036 0.000 0.990 58 V HN 0.421 nan 8.190 nan 0.000 0.453 59 K N 5.458 125.876 120.400 0.030 0.000 2.506 59 K HA 0.426 4.747 4.320 0.000 0.000 0.204 59 K C -0.246 176.357 176.600 0.005 0.000 1.045 59 K CA -0.022 56.290 56.287 0.042 0.000 1.074 59 K CB 0.624 33.145 32.500 0.034 0.000 0.842 59 K HN 0.745 nan 8.250 nan 0.000 0.514 60 I N -3.315 117.241 120.570 -0.024 0.000 2.828 60 I HA 0.850 5.020 4.170 0.000 0.000 0.302 60 I C -0.225 175.826 176.117 -0.110 0.000 1.101 60 I CA -1.041 60.211 61.300 -0.080 0.000 1.031 60 I CB 2.443 40.398 38.000 -0.074 0.000 1.231 60 I HN 0.004 nan 8.210 nan 0.000 0.427 61 G N 1.562 110.227 108.800 -0.226 0.000 2.328 61 G HA2 0.480 4.440 3.960 0.000 0.000 0.299 61 G HA3 0.480 4.440 3.960 0.000 0.000 0.299 61 G C -1.423 173.188 174.900 -0.481 0.000 1.435 61 G CA -0.310 44.658 45.100 -0.220 0.000 0.865 61 G HN 1.032 nan 8.290 nan 0.000 0.601 62 G N -0.023 108.624 108.800 -0.256 0.000 2.502 62 G HA2 0.594 4.555 3.960 0.000 0.000 0.311 62 G HA3 0.594 4.555 3.960 0.000 0.000 0.311 62 G C -0.477 174.425 174.900 0.002 0.000 1.270 62 G CA -0.504 44.525 45.100 -0.118 0.000 0.948 62 G HN 0.604 nan 8.290 nan 0.000 0.487 63 H N 1.750 121.015 119.070 0.324 0.000 2.615 63 H HA 0.166 4.722 4.556 0.000 0.000 0.363 63 H C 0.966 176.406 175.328 0.187 0.000 1.148 63 H CA -0.168 56.018 56.048 0.229 0.000 1.401 63 H CB 1.436 31.341 29.762 0.238 0.000 1.461 63 H HN 0.290 nan 8.280 nan 0.000 0.588 64 L N 2.129 123.522 121.223 0.283 0.000 2.573 64 L HA -0.165 4.175 4.340 0.000 0.000 0.290 64 L C 1.884 178.857 176.870 0.171 0.000 1.247 64 L CA 0.135 55.094 54.840 0.197 0.000 0.876 64 L CB 0.228 42.396 42.059 0.182 0.000 1.123 64 L HN 0.568 nan 8.230 nan 0.000 0.505 65 K N 1.843 122.322 120.400 0.132 0.000 2.032 65 K HA -0.165 4.155 4.320 0.000 0.000 0.209 65 K C 0.369 177.020 176.600 0.085 0.000 1.048 65 K CA 1.485 57.829 56.287 0.095 0.000 0.927 65 K CB 0.006 32.554 32.500 0.081 0.000 0.712 65 K HN 0.639 nan 8.250 nan 0.000 0.441 66 D N 0.388 120.851 120.400 0.106 0.000 2.427 66 D HA 0.249 4.890 4.640 0.000 0.000 0.226 66 D C -2.649 173.731 176.300 0.133 0.000 1.076 66 D CA -2.707 51.362 54.000 0.115 0.000 0.849 66 D CB 1.060 41.957 40.800 0.163 0.000 1.052 66 D HN -0.054 nan 8.370 nan 0.000 0.515 67 P HA -0.039 nan 4.420 nan 0.000 0.265 67 P C 1.085 178.463 177.300 0.130 0.000 1.193 67 P CA -0.399 62.760 63.100 0.097 0.000 0.765 67 P CB 1.093 32.814 31.700 0.034 0.000 0.823 68 V N 2.580 122.574 119.914 0.133 0.000 2.252 68 V HA -0.259 3.861 4.120 0.000 0.000 0.249 68 V C 1.501 177.638 176.094 0.072 0.000 1.056 68 V CA 2.178 64.522 62.300 0.073 0.000 1.022 68 V CB -0.836 30.878 31.823 -0.183 0.000 0.641 68 V HN 0.559 nan 8.190 nan 0.000 0.445 69 D N -0.033 120.388 120.400 0.034 0.000 2.350 69 D HA -0.076 4.565 4.640 0.000 0.000 0.216 69 D C 2.193 178.482 176.300 -0.019 0.000 0.968 69 D CA 1.277 55.287 54.000 0.016 0.000 0.894 69 D CB -0.208 40.621 40.800 0.048 0.000 0.909 69 D HN 0.612 nan 8.370 nan 0.000 0.520 70 S N -0.478 115.172 115.700 -0.084 0.000 2.603 70 S HA -0.105 4.365 4.470 0.000 0.000 0.229 70 S C 1.018 175.400 174.600 -0.363 0.000 0.972 70 S CA 0.411 58.482 58.200 -0.215 0.000 0.935 70 S CB -0.305 62.737 63.200 -0.263 0.000 0.769 70 S HN 0.344 nan 8.310 nan 0.000 0.536 71 H N 0.030 119.096 119.070 -0.007 0.000 2.662 71 H HA 0.419 4.975 4.556 0.000 0.000 0.268 71 H C -0.338 174.982 175.328 -0.015 0.000 1.152 71 H CA -0.263 55.779 56.048 -0.009 0.000 1.072 71 H CB 0.248 30.003 29.762 -0.012 0.000 1.660 71 H HN 0.403 nan 8.280 nan 0.000 0.584 72 M N 1.002 120.636 119.600 0.057 0.000 2.243 72 M HA 0.333 4.813 4.480 0.000 0.000 0.324 72 M C 0.980 177.291 176.300 0.018 0.000 1.031 72 M CA -0.671 54.649 55.300 0.033 0.000 0.949 72 M CB 1.741 34.349 32.600 0.013 0.000 1.615 72 M HN 0.142 nan 8.290 nan 0.000 0.430 73 G N 1.648 110.459 108.800 0.017 0.000 2.684 73 G HA2 0.164 4.125 3.960 0.000 0.000 0.255 73 G HA3 0.164 4.125 3.960 0.000 0.000 0.255 73 G C 0.712 175.618 174.900 0.010 0.000 1.219 73 G CA -0.247 44.861 45.100 0.013 0.000 0.901 73 G HN 0.885 nan 8.290 nan 0.000 0.548 74 R N -0.487 120.019 120.500 0.009 0.000 2.148 74 R HA 0.033 4.373 4.340 0.000 0.000 0.227 74 R C 2.267 178.574 176.300 0.010 0.000 1.103 74 R CA 0.954 57.060 56.100 0.010 0.000 0.983 74 R CB -0.207 30.098 30.300 0.009 0.000 0.874 74 R HN 0.554 nan 8.270 nan 0.000 0.451 75 L N -0.404 120.825 121.223 0.009 0.000 2.084 75 L HA -0.071 4.269 4.340 0.000 0.000 0.202 75 L C 1.662 178.536 176.870 0.007 0.000 1.074 75 L CA 1.061 55.906 54.840 0.007 0.000 0.757 75 L CB -0.552 41.510 42.059 0.005 0.000 0.918 75 L HN 0.131 nan 8.230 nan 0.000 0.444 76 D N 0.052 120.455 120.400 0.005 0.000 2.190 76 D HA -0.195 4.446 4.640 0.000 0.000 0.200 76 D C 2.201 178.504 176.300 0.006 0.000 0.992 76 D CA 1.213 55.214 54.000 0.001 0.000 0.854 76 D CB -0.038 40.761 40.800 -0.003 0.000 0.936 76 D HN 0.175 nan 8.370 nan 0.000 0.462 77 M N -0.495 119.112 119.600 0.012 0.000 2.394 77 M HA 0.009 4.490 4.480 0.000 0.000 0.264 77 M C 1.773 178.088 176.300 0.026 0.000 1.073 77 M CA 0.957 56.270 55.300 0.022 0.000 1.111 77 M CB -0.324 32.291 32.600 0.024 0.000 1.401 77 M HN 0.010 nan 8.290 nan 0.000 0.448 78 R N -0.376 120.136 120.500 0.019 0.000 2.206 78 R HA 0.120 4.460 4.340 0.000 0.000 0.198 78 R C 1.697 178.007 176.300 0.017 0.000 0.986 78 R CA 0.417 56.529 56.100 0.020 0.000 1.029 78 R CB 0.376 30.685 30.300 0.016 0.000 0.966 78 R HN 0.329 nan 8.270 nan 0.000 0.487 79 R N -0.748 119.759 120.500 0.013 0.000 2.397 79 R HA 0.319 4.659 4.340 0.000 0.000 0.241 79 R C 0.131 176.436 176.300 0.007 0.000 0.914 79 R CA 0.101 56.207 56.100 0.009 0.000 1.071 79 R CB 0.743 31.045 30.300 0.004 0.000 1.116 79 R HN 0.033 nan 8.270 nan 0.000 0.524 80 M N 0.629 120.235 119.600 0.011 0.000 2.518 80 M HA 0.227 4.707 4.480 0.000 0.000 0.300 80 M C -0.238 176.078 176.300 0.027 0.000 1.175 80 M CA -0.662 54.644 55.300 0.009 0.000 0.890 80 M CB 2.597 35.193 32.600 -0.006 0.000 1.710 80 M HN -0.034 nan 8.290 nan 0.000 0.453 81 S N 0.962 116.682 115.700 0.034 0.000 2.614 81 S HA 0.146 4.616 4.470 0.000 0.000 0.265 81 S C 0.730 175.385 174.600 0.091 0.000 1.303 81 S CA -0.415 57.826 58.200 0.069 0.000 1.000 81 S CB 0.524 63.763 63.200 0.064 0.000 0.935 81 S HN 0.798 nan 8.310 nan 0.000 0.551 82 Y N 1.814 122.122 120.300 0.014 0.000 2.165 82 Y HA -0.177 4.373 4.550 0.001 0.000 0.286 82 Y C 2.198 178.107 175.900 0.016 0.000 1.155 82 Y CA 2.295 60.406 58.100 0.018 0.000 1.164 82 Y CB -0.604 37.867 38.460 0.018 0.000 0.978 82 Y HN 0.550 nan 8.280 nan 0.000 0.513 83 V N -1.412 118.639 119.914 0.229 0.000 2.626 83 V HA -0.234 3.886 4.120 0.000 0.000 0.252 83 V C 1.729 177.828 176.094 0.008 0.000 1.067 83 V CA 1.931 64.310 62.300 0.131 0.000 1.081 83 V CB -0.850 31.054 31.823 0.134 0.000 0.686 83 V HN 0.507 nan 8.190 nan 0.000 0.468 84 Q N 0.279 120.077 119.800 -0.004 0.000 2.187 84 Q HA -0.015 4.325 4.340 0.000 0.000 0.199 84 Q C 2.483 178.445 176.000 -0.062 0.000 0.957 84 Q CA 1.324 57.111 55.803 -0.027 0.000 0.857 84 Q CB -0.127 28.602 28.738 -0.014 0.000 0.929 84 Q HN 0.647 nan 8.270 nan 0.000 0.453 85 R N 0.365 120.801 120.500 -0.107 0.000 2.090 85 R HA 0.001 4.341 4.340 0.000 0.000 0.228 85 R C 2.255 178.451 176.300 -0.174 0.000 1.110 85 R CA 1.057 57.074 56.100 -0.139 0.000 0.973 85 R CB -0.266 29.929 30.300 -0.175 0.000 0.869 85 R HN 0.268 nan 8.270 nan 0.000 0.440 86 M N 0.460 119.906 119.600 -0.257 0.000 2.159 86 M HA -0.080 4.400 4.480 0.000 0.000 0.263 86 M C 1.937 178.187 176.300 -0.084 0.000 1.063 86 M CA 2.015 57.200 55.300 -0.192 0.000 1.110 86 M CB -0.196 32.297 32.600 -0.177 0.000 1.374 86 M HN 0.230 nan 8.290 nan 0.000 0.411 87 G N 0.472 109.235 108.800 -0.063 0.000 2.394 87 G HA2 -0.226 3.734 3.960 0.000 0.000 0.214 87 G HA3 -0.226 3.734 3.960 0.000 0.000 0.214 87 G C 1.483 176.361 174.900 -0.036 0.000 1.176 87 G CA 0.983 46.063 45.100 -0.034 0.000 0.786 87 G HN 0.546 nan 8.290 nan 0.000 0.533 88 K N -0.194 120.177 120.400 -0.048 0.000 2.020 88 K HA -0.127 4.194 4.320 0.000 0.000 0.212 88 K C 2.394 178.971 176.600 -0.039 0.000 1.050 88 K CA 1.515 57.776 56.287 -0.043 0.000 0.929 88 K CB -0.370 32.104 32.500 -0.043 0.000 0.714 88 K HN 0.199 nan 8.250 nan 0.000 0.443 89 L N 1.596 122.786 121.223 -0.054 0.000 1.971 89 L HA -0.175 4.165 4.340 0.000 0.000 0.215 89 L C 2.077 178.917 176.870 -0.050 0.000 1.072 89 L CA 1.768 56.567 54.840 -0.069 0.000 0.758 89 L CB -0.544 41.459 42.059 -0.094 0.000 0.889 89 L HN 0.314 nan 8.230 nan 0.000 0.433 90 L N -1.159 120.045 121.223 -0.031 0.000 2.217 90 L HA -0.011 4.330 4.340 0.000 0.000 0.211 90 L C 2.419 179.307 176.870 0.030 0.000 1.107 90 L CA 0.803 55.641 54.840 -0.003 0.000 0.783 90 L CB -1.117 40.945 42.059 0.005 0.000 0.919 90 L HN 0.459 nan 8.230 nan 0.000 0.442 91 G N -0.234 108.582 108.800 0.027 0.000 2.421 91 G HA2 -0.124 3.836 3.960 0.000 0.000 0.217 91 G HA3 -0.124 3.836 3.960 0.000 0.000 0.217 91 G C 1.571 176.531 174.900 0.099 0.000 1.143 91 G CA 0.668 45.803 45.100 0.058 0.000 0.784 91 G HN 0.454 nan 8.290 nan 0.000 0.541 92 G N 0.133 108.969 108.800 0.060 0.000 2.396 92 G HA2 -0.087 3.873 3.960 0.000 0.000 0.214 92 G HA3 -0.087 3.873 3.960 0.000 0.000 0.214 92 G C 1.738 176.699 174.900 0.101 0.000 1.166 92 G CA 0.751 45.903 45.100 0.088 0.000 0.793 92 G HN 0.478 nan 8.290 nan 0.000 0.533 93 Q N -0.629 119.201 119.800 0.050 0.000 2.124 93 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 93 Q C 2.441 178.479 176.000 0.065 0.000 0.977 93 Q CA 1.016 56.840 55.803 0.034 0.000 0.850 93 Q CB -0.215 28.521 28.738 -0.003 0.000 0.901 93 Q HN 0.419 nan 8.270 nan 0.000 0.429 94 L N -0.167 121.118 121.223 0.103 0.000 2.027 94 L HA -0.116 4.224 4.340 0.000 0.000 0.206 94 L C 1.836 178.808 176.870 0.170 0.000 1.074 94 L CA 1.700 56.614 54.840 0.124 0.000 0.745 94 L CB -0.705 41.446 42.059 0.153 0.000 0.898 94 L HN 0.380 nan 8.230 nan 0.000 0.433 95 W N 0.574 121.872 121.300 -0.003 0.000 2.374 95 W HA -0.224 4.436 4.660 0.000 0.000 0.288 95 W C 2.293 178.801 176.519 -0.018 0.000 1.218 95 W CA 1.663 59.002 57.345 -0.010 0.000 1.245 95 W CB 0.201 29.666 29.460 0.008 0.000 1.126 95 W HN 0.452 nan 8.180 nan 0.000 0.545 96 E N -0.295 119.966 120.200 0.101 0.000 2.076 96 E HA -0.142 4.208 4.350 0.000 0.000 0.190 96 E C 2.095 178.664 176.600 -0.052 0.000 0.979 96 E CA 1.417 57.824 56.400 0.011 0.000 0.807 96 E CB -0.220 29.507 29.700 0.045 0.000 0.761 96 E HN -0.050 nan 8.360 nan 0.000 0.454 97 S N 0.459 116.138 115.700 -0.035 0.000 2.423 97 S HA -0.057 4.413 4.470 0.000 0.000 0.231 97 S C 1.854 176.394 174.600 -0.101 0.000 1.014 97 S CA 0.761 58.930 58.200 -0.052 0.000 0.965 97 S CB 0.048 63.230 63.200 -0.029 0.000 0.785 97 S HN 0.425 nan 8.310 nan 0.000 0.495 98 A N 0.524 123.250 122.820 -0.157 0.000 2.167 98 A HA 0.455 4.775 4.320 0.000 0.000 0.214 98 A C 1.631 179.038 177.584 -0.294 0.000 1.151 98 A CA 0.905 52.794 52.037 -0.248 0.000 0.735 98 A CB -0.576 18.201 19.000 -0.372 0.000 0.802 98 A HN 0.907 nan 8.150 nan 0.000 0.467 99 G N -1.921 106.722 108.800 -0.261 0.000 2.141 99 G HA2 -0.067 3.893 3.960 0.000 0.000 0.164 99 G HA3 -0.067 3.893 3.960 0.000 0.000 0.164 99 G C 0.382 175.118 174.900 -0.274 0.000 1.009 99 G CA 0.261 45.228 45.100 -0.222 0.000 0.677 99 G HN 1.146 nan 8.290 nan 0.000 0.508 100 S N 0.367 115.840 115.700 -0.377 0.000 3.477 100 S HA -0.142 4.328 4.470 0.000 0.000 0.371 100 S C -1.204 173.161 174.600 -0.392 0.000 0.965 100 S CA 1.058 59.025 58.200 -0.388 0.000 1.239 100 S CB -0.714 62.453 63.200 -0.055 0.000 0.918 100 S HN 0.923 nan 8.310 nan 0.000 0.498 101 P HA 0.228 nan 4.420 nan 0.000 0.271 101 P C -0.177 177.062 177.300 -0.102 0.000 1.216 101 P CA 0.028 62.886 63.100 -0.403 0.000 0.776 101 P CB 0.548 31.917 31.700 -0.553 0.000 0.881 102 E N 1.909 122.100 120.200 -0.016 0.000 2.001 102 E HA 0.238 4.589 4.350 0.000 0.000 0.279 102 E C 0.144 176.795 176.600 0.084 0.000 1.045 102 E CA -0.458 55.991 56.400 0.082 0.000 0.833 102 E CB 0.815 30.544 29.700 0.049 0.000 1.077 102 E HN 0.268 nan 8.360 nan 0.000 0.397 103 V N -0.330 119.682 119.914 0.164 0.000 2.881 103 V HA 0.395 4.515 4.120 0.000 0.000 0.316 103 V C 0.293 176.492 176.094 0.176 0.000 1.070 103 V CA -1.245 61.157 62.300 0.169 0.000 0.976 103 V CB 2.078 33.985 31.823 0.139 0.000 1.038 103 V HN 0.292 nan 8.190 nan 0.000 0.446 104 D N 3.572 124.079 120.400 0.178 0.000 2.412 104 D HA 0.215 4.855 4.640 0.000 0.000 0.257 104 D C -1.657 174.762 176.300 0.199 0.000 1.217 104 D CA -1.521 52.573 54.000 0.156 0.000 0.897 104 D CB 1.762 42.645 40.800 0.139 0.000 1.132 104 D HN 0.434 nan 8.370 nan 0.000 0.493 105 P HA -0.046 nan 4.420 nan 0.000 0.221 105 P C 0.430 177.815 177.300 0.142 0.000 1.150 105 P CA 0.633 63.857 63.100 0.206 0.000 0.800 105 P CB 0.363 32.136 31.700 0.122 0.000 0.787 106 D N -1.117 119.344 120.400 0.102 0.000 2.355 106 D HA 0.001 4.642 4.640 0.000 0.000 0.218 106 D C 1.274 177.618 176.300 0.073 0.000 1.004 106 D CA 0.559 54.597 54.000 0.063 0.000 0.880 106 D CB -0.027 40.800 40.800 0.046 0.000 0.911 106 D HN 0.093 nan 8.370 nan 0.000 0.528 107 R N 0.024 120.595 120.500 0.119 0.000 2.577 107 R HA 0.149 4.489 4.340 0.000 0.000 0.344 107 R C -0.375 176.029 176.300 0.175 0.000 1.037 107 R CA -0.435 55.732 56.100 0.111 0.000 1.102 107 R CB 0.278 30.639 30.300 0.102 0.000 1.313 107 R HN 0.017 nan 8.270 nan 0.000 0.561 108 F N 1.372 121.324 119.950 0.004 0.000 2.427 108 F HA 0.696 5.223 4.527 0.000 0.000 0.348 108 F C -0.871 174.920 175.800 -0.015 0.000 1.125 108 F CA -2.251 55.751 58.000 0.002 0.000 0.989 108 F CB 1.129 40.151 39.000 0.036 0.000 1.165 108 F HN 0.001 nan 8.300 nan 0.000 0.442 109 A N 4.816 127.685 122.820 0.082 0.000 2.322 109 A HA 0.893 5.213 4.320 0.000 0.000 0.327 109 A C -1.623 175.833 177.584 -0.212 0.000 1.134 109 A CA -0.723 51.225 52.037 -0.148 0.000 0.831 109 A CB 1.709 20.696 19.000 -0.023 0.000 1.288 109 A HN 0.585 nan 8.150 nan 0.000 0.472 110 V N 0.730 120.520 119.914 -0.207 0.000 2.577 110 V HA 0.504 4.624 4.120 0.000 0.000 0.303 110 V C -1.053 175.005 176.094 -0.060 0.000 1.042 110 V CA -0.352 61.869 62.300 -0.132 0.000 0.872 110 V CB 1.831 33.525 31.823 -0.215 0.000 0.998 110 V HN 0.700 nan 8.190 nan 0.000 0.423 111 V N 5.577 125.489 119.914 -0.002 0.000 2.385 111 V HA 0.472 4.593 4.120 0.000 0.000 0.277 111 V C -0.486 175.620 176.094 0.021 0.000 1.012 111 V CA -0.537 61.768 62.300 0.009 0.000 0.832 111 V CB 1.508 33.361 31.823 0.050 0.000 1.028 111 V HN 0.544 nan 8.190 nan 0.000 0.436 112 V N 3.223 123.137 119.914 0.001 0.000 2.495 112 V HA 0.838 4.958 4.120 0.000 0.000 0.298 112 V C 0.861 176.958 176.094 0.005 0.000 1.031 112 V CA -0.186 62.120 62.300 0.010 0.000 0.871 112 V CB 1.848 33.673 31.823 0.004 0.000 0.988 112 V HN 0.824 nan 8.190 nan 0.000 0.432 113 G N 1.929 110.739 108.800 0.017 0.000 2.511 113 G HA2 0.706 4.666 3.960 0.000 0.000 0.316 113 G HA3 0.706 4.666 3.960 0.000 0.000 0.316 113 G C -0.506 174.405 174.900 0.018 0.000 1.210 113 G CA -0.349 44.759 45.100 0.013 0.000 0.969 113 G HN 0.813 nan 8.290 nan 0.000 0.492 114 T N -2.432 112.133 114.554 0.017 0.000 2.843 114 T HA 0.432 4.782 4.350 0.000 0.000 0.337 114 T C 1.126 175.843 174.700 0.027 0.000 1.754 114 T CA 0.552 62.668 62.100 0.026 0.000 1.052 114 T CB 0.753 69.638 68.868 0.029 0.000 1.588 114 T HN 0.954 nan 8.240 nan 0.000 0.493 115 G N 0.625 109.446 108.800 0.035 0.000 2.403 115 G HA2 0.191 4.151 3.960 0.000 0.000 0.216 115 G HA3 0.191 4.151 3.960 0.000 0.000 0.216 115 G C 1.016 175.945 174.900 0.048 0.000 1.154 115 G CA 1.061 46.191 45.100 0.049 0.000 0.784 115 G HN 0.554 nan 8.290 nan 0.000 0.538 116 L N -2.703 118.541 121.223 0.036 0.000 2.230 116 L HA 0.493 4.833 4.340 0.000 0.000 0.164 116 L C 0.996 177.877 176.870 0.018 0.000 1.237 116 L CA 0.765 55.622 54.840 0.027 0.000 1.030 116 L CB 0.610 42.686 42.059 0.028 0.000 2.103 116 L HN 0.482 nan 8.230 nan 0.000 0.490 117 G N -0.754 108.060 108.800 0.023 0.000 2.302 117 G HA2 0.023 3.983 3.960 0.000 0.000 0.276 117 G HA3 0.023 3.983 3.960 0.000 0.000 0.276 117 G C -0.170 174.750 174.900 0.034 0.000 1.316 117 G CA -0.367 44.747 45.100 0.025 0.000 0.988 117 G HN 0.343 nan 8.290 nan 0.000 0.479 118 G N 0.389 109.209 108.800 0.034 0.000 3.197 118 G HA2 0.583 4.543 3.960 0.000 0.000 0.257 118 G HA3 0.583 4.543 3.960 0.000 0.000 0.257 118 G C 1.131 176.049 174.900 0.030 0.000 0.835 118 G CA 1.254 46.380 45.100 0.045 0.000 2.001 118 G HN 1.719 nan 8.290 nan 0.000 0.625 119 A N 1.134 123.965 122.820 0.019 0.000 2.067 119 A HA 0.080 4.400 4.320 0.000 0.000 0.217 119 A C 2.111 179.698 177.584 0.005 0.000 1.156 119 A CA 1.366 53.406 52.037 0.004 0.000 0.683 119 A CB 0.044 19.038 19.000 -0.009 0.000 0.808 119 A HN 0.491 nan 8.150 nan 0.000 0.455 120 E N 0.431 120.639 120.200 0.013 0.000 2.110 120 E HA -0.184 4.166 4.350 0.000 0.000 0.193 120 E C 1.863 178.484 176.600 0.036 0.000 0.988 120 E CA 1.098 57.510 56.400 0.021 0.000 0.804 120 E CB -0.300 29.418 29.700 0.030 0.000 0.745 120 E HN 0.348 nan 8.360 nan 0.000 0.458 121 R N 0.600 121.123 120.500 0.039 0.000 2.120 121 R HA 0.010 4.350 4.340 0.000 0.000 0.234 121 R C 2.311 178.638 176.300 0.045 0.000 1.123 121 R CA 0.846 56.971 56.100 0.042 0.000 0.975 121 R CB -0.794 29.529 30.300 0.038 0.000 0.866 121 R HN 0.341 nan 8.270 nan 0.000 0.446 122 I N 0.767 121.356 120.570 0.032 0.000 2.099 122 I HA -0.265 3.906 4.170 0.000 0.000 0.239 122 I C 2.355 178.509 176.117 0.061 0.000 1.066 122 I CA 1.798 63.115 61.300 0.028 0.000 1.324 122 I CB -0.579 37.416 38.000 -0.010 0.000 1.037 122 I HN -0.011 nan 8.210 nan 0.000 0.401 123 V N -1.152 118.792 119.914 0.050 0.000 2.626 123 V HA -0.218 3.903 4.120 0.000 0.000 0.252 123 V C 2.219 178.408 176.094 0.159 0.000 1.067 123 V CA 1.949 64.313 62.300 0.108 0.000 1.081 123 V CB -0.854 31.005 31.823 0.060 0.000 0.686 123 V HN 0.581 nan 8.190 nan 0.000 0.468 124 E N 1.211 121.472 120.200 0.102 0.000 2.051 124 E HA -0.150 4.201 4.350 0.000 0.000 0.189 124 E C 2.230 178.879 176.600 0.082 0.000 0.979 124 E CA 1.408 57.858 56.400 0.084 0.000 0.803 124 E CB -0.182 29.555 29.700 0.061 0.000 0.761 124 E HN 0.638 nan 8.360 nan 0.000 0.451 125 S N 0.142 115.893 115.700 0.086 0.000 2.370 125 S HA -0.197 4.273 4.470 0.000 0.000 0.226 125 S C 1.618 176.283 174.600 0.108 0.000 1.033 125 S CA 1.351 59.598 58.200 0.079 0.000 1.011 125 S CB -0.609 62.633 63.200 0.070 0.000 0.852 125 S HN 0.466 nan 8.310 nan 0.000 0.457 126 Y N 2.419 122.724 120.300 0.007 0.000 2.128 126 Y HA -0.250 4.301 4.550 0.000 0.000 0.284 126 Y C 1.950 177.855 175.900 0.009 0.000 1.154 126 Y CA 1.838 59.942 58.100 0.006 0.000 1.149 126 Y CB -0.229 38.233 38.460 0.004 0.000 0.976 126 Y HN 0.154 nan 8.280 nan 0.000 0.505 127 D N 0.163 120.549 120.400 -0.024 0.000 2.178 127 D HA -0.138 4.502 4.640 0.000 0.000 0.202 127 D C 2.136 178.387 176.300 -0.083 0.000 0.974 127 D CA 1.259 55.197 54.000 -0.104 0.000 0.841 127 D CB -0.198 40.609 40.800 0.012 0.000 0.953 127 D HN 0.422 nan 8.370 nan 0.000 0.478 128 L N -0.055 121.147 121.223 -0.034 0.000 2.131 128 L HA 0.012 4.352 4.340 0.000 0.000 0.206 128 L C 2.412 179.258 176.870 -0.039 0.000 1.087 128 L CA 0.576 55.402 54.840 -0.023 0.000 0.767 128 L CB -0.202 41.858 42.059 0.002 0.000 0.917 128 L HN 0.022 nan 8.230 nan 0.000 0.441 129 M N -0.404 119.168 119.600 -0.047 0.000 2.319 129 M HA -0.111 4.369 4.480 0.000 0.000 0.265 129 M C 1.570 177.820 176.300 -0.084 0.000 1.068 129 M CA 1.344 56.615 55.300 -0.048 0.000 1.118 129 M CB -0.016 32.569 32.600 -0.025 0.000 1.395 129 M HN 0.174 nan 8.290 nan 0.000 0.435 130 N N 0.718 119.326 118.700 -0.153 0.000 2.396 130 N HA 0.021 4.761 4.740 0.000 0.000 0.180 130 N C 1.200 176.644 175.510 -0.110 0.000 1.028 130 N CA 1.401 54.342 53.050 -0.182 0.000 0.893 130 N CB -0.021 38.265 38.487 -0.335 0.000 0.967 130 N HN 0.514 nan 8.380 nan 0.000 0.440 131 A N -1.441 121.329 122.820 -0.082 0.000 2.324 131 A HA 0.492 4.813 4.320 0.000 0.000 0.220 131 A C 1.610 179.173 177.584 -0.035 0.000 1.209 131 A CA 0.629 52.636 52.037 -0.051 0.000 0.918 131 A CB 0.334 19.309 19.000 -0.042 0.000 0.959 131 A HN 0.262 nan 8.150 nan 0.000 0.507 132 G N -1.663 107.117 108.800 -0.034 0.000 3.314 132 G HA2 0.505 4.465 3.960 0.000 0.000 0.230 132 G HA3 0.505 4.465 3.960 0.000 0.000 0.230 132 G C 0.751 175.640 174.900 -0.018 0.000 1.058 132 G CA 0.595 45.682 45.100 -0.021 0.000 0.926 132 G HN 1.633 nan 8.290 nan 0.000 0.564 133 G N 0.485 109.271 108.800 -0.024 0.000 2.710 133 G HA2 -0.050 3.910 3.960 0.000 0.000 0.668 133 G HA3 -0.050 3.910 3.960 0.000 0.000 0.668 133 G C -1.323 173.570 174.900 -0.011 0.000 1.320 133 G CA -0.133 44.957 45.100 -0.017 0.000 0.860 133 G HN 0.051 nan 8.290 nan 0.000 0.538 134 P HA -0.133 nan 4.420 nan 0.000 0.218 134 P C 1.569 178.871 177.300 0.002 0.000 1.148 134 P CA 1.578 64.679 63.100 0.001 0.000 0.822 134 P CB 0.050 31.751 31.700 0.003 0.000 0.784 135 R N 0.168 120.668 120.500 -0.000 0.000 2.285 135 R HA -0.021 4.319 4.340 0.000 0.000 0.213 135 R C 1.852 178.153 176.300 0.002 0.000 1.068 135 R CA 1.018 57.119 56.100 0.001 0.000 1.004 135 R CB -0.589 29.711 30.300 -0.000 0.000 0.873 135 R HN -0.082 nan 8.270 nan 0.000 0.467 136 K N -0.337 120.063 120.400 0.000 0.000 2.426 136 K HA 0.142 4.463 4.320 0.000 0.000 0.193 136 K C -0.260 176.343 176.600 0.006 0.000 1.028 136 K CA 0.158 56.445 56.287 0.001 0.000 1.047 136 K CB 0.380 32.878 32.500 -0.004 0.000 0.821 136 K HN -0.003 nan 8.250 nan 0.000 0.513 137 V N 1.838 121.758 119.914 0.009 0.000 2.530 137 V HA 0.055 4.175 4.120 0.000 0.000 0.282 137 V C 0.719 176.821 176.094 0.014 0.000 1.048 137 V CA -0.485 61.824 62.300 0.015 0.000 0.997 137 V CB 1.399 33.233 31.823 0.018 0.000 0.987 137 V HN 0.105 nan 8.190 nan 0.000 0.477 138 S N 5.929 121.639 115.700 0.016 0.000 2.549 138 S HA 0.171 4.641 4.470 0.000 0.000 0.283 138 S C -1.291 173.316 174.600 0.011 0.000 1.320 138 S CA -0.886 57.322 58.200 0.014 0.000 1.058 138 S CB 0.863 64.073 63.200 0.016 0.000 0.882 138 S HN 0.667 nan 8.310 nan 0.000 0.498 139 P HA 0.052 nan 4.420 nan 0.000 0.231 139 P C 0.502 177.806 177.300 0.005 0.000 1.158 139 P CA 0.801 63.905 63.100 0.006 0.000 0.763 139 P CB 0.073 31.775 31.700 0.004 0.000 0.805 140 L N -2.304 118.923 121.223 0.007 0.000 2.664 140 L HA 0.272 4.612 4.340 0.000 0.000 0.233 140 L C 2.184 179.059 176.870 0.009 0.000 1.113 140 L CA 0.188 55.032 54.840 0.006 0.000 0.896 140 L CB -0.556 41.507 42.059 0.007 0.000 1.163 140 L HN -0.100 nan 8.230 nan 0.000 0.497 141 A N 0.948 123.775 122.820 0.013 0.000 1.917 141 A HA -0.219 4.101 4.320 0.000 0.000 0.219 141 A C 2.360 179.952 177.584 0.014 0.000 1.182 141 A CA 2.337 54.384 52.037 0.017 0.000 0.633 141 A CB -0.790 18.223 19.000 0.021 0.000 0.819 141 A HN 0.298 nan 8.150 nan 0.000 0.448 142 V N -0.652 119.267 119.914 0.009 0.000 2.358 142 V HA -0.297 3.823 4.120 0.000 0.000 0.246 142 V C 2.359 178.454 176.094 0.002 0.000 1.047 142 V CA 2.236 64.539 62.300 0.005 0.000 1.035 142 V CB -1.320 30.504 31.823 0.002 0.000 0.658 142 V HN 0.802 nan 8.190 nan 0.000 0.452 143 Q N -0.350 119.450 119.800 0.000 0.000 2.291 143 Q HA -0.091 4.249 4.340 0.000 0.000 0.205 143 Q C 2.085 178.085 176.000 0.000 0.000 0.970 143 Q CA 1.947 57.748 55.803 -0.003 0.000 0.876 143 Q CB -0.364 28.370 28.738 -0.007 0.000 0.935 143 Q HN 0.626 nan 8.270 nan 0.000 0.455 144 M N -0.051 119.553 119.600 0.007 0.000 2.334 144 M HA 0.061 4.542 4.480 0.000 0.000 0.266 144 M C 1.920 178.230 176.300 0.018 0.000 1.082 144 M CA 0.946 56.254 55.300 0.014 0.000 1.141 144 M CB 0.151 32.764 32.600 0.021 0.000 1.380 144 M HN 0.231 nan 8.290 nan 0.000 0.440 145 I N 0.544 121.123 120.570 0.014 0.000 2.277 145 I HA -0.109 4.061 4.170 0.000 0.000 0.243 145 I C 1.325 177.446 176.117 0.007 0.000 1.094 145 I CA 0.033 61.341 61.300 0.013 0.000 1.393 145 I CB -0.108 37.898 38.000 0.011 0.000 1.078 145 I HN 0.325 nan 8.210 nan 0.000 0.417 146 M N 2.244 121.845 119.600 0.002 0.000 2.286 146 M HA -0.002 4.478 4.480 0.000 0.000 0.365 146 M C -1.983 174.315 176.300 -0.004 0.000 1.443 146 M CA -0.611 54.687 55.300 -0.004 0.000 0.951 146 M CB -0.422 32.173 32.600 -0.009 0.000 1.961 146 M HN -0.197 nan 8.290 nan 0.000 0.468 147 P HA -0.126 nan 4.420 nan 0.000 0.225 147 P C 0.525 177.819 177.300 -0.010 0.000 1.148 147 P CA 1.290 64.388 63.100 -0.003 0.000 0.779 147 P CB -0.242 31.454 31.700 -0.006 0.000 0.780 148 N N -0.856 117.833 118.700 -0.018 0.000 2.461 148 N HA 0.001 4.741 4.740 0.000 0.000 0.188 148 N C 1.703 177.197 175.510 -0.026 0.000 1.134 148 N CA 0.784 53.818 53.050 -0.028 0.000 0.878 148 N CB -1.061 37.404 38.487 -0.035 0.000 0.972 148 N HN 0.080 nan 8.380 nan 0.000 0.456 149 G N 0.964 109.754 108.800 -0.017 0.000 2.418 149 G HA2 -0.127 3.834 3.960 0.000 0.000 0.217 149 G HA3 -0.127 3.834 3.960 0.000 0.000 0.217 149 G C 1.662 176.550 174.900 -0.019 0.000 1.158 149 G CA 1.053 46.144 45.100 -0.016 0.000 0.771 149 G HN 0.508 nan 8.290 nan 0.000 0.545 150 A N 1.305 124.118 122.820 -0.011 0.000 1.855 150 A HA 0.306 4.627 4.320 0.000 0.000 0.215 150 A C 2.856 180.423 177.584 -0.028 0.000 1.191 150 A CA 2.238 54.267 52.037 -0.014 0.000 0.613 150 A CB -0.971 18.031 19.000 0.002 0.000 0.829 150 A HN 0.812 nan 8.150 nan 0.000 0.442 151 A N -0.025 122.777 122.820 -0.030 0.000 1.917 151 A HA 0.042 4.362 4.320 0.000 0.000 0.219 151 A C 2.515 180.058 177.584 -0.068 0.000 1.182 151 A CA 2.525 54.534 52.037 -0.047 0.000 0.633 151 A CB -1.102 17.870 19.000 -0.047 0.000 0.819 151 A HN 1.125 nan 8.150 nan 0.000 0.448 152 A N -0.788 121.996 122.820 -0.060 0.000 1.877 152 A HA -0.003 4.317 4.320 0.000 0.000 0.216 152 A C 2.211 179.752 177.584 -0.072 0.000 1.186 152 A CA 1.763 53.758 52.037 -0.069 0.000 0.620 152 A CB -0.975 17.994 19.000 -0.053 0.000 0.822 152 A HN 0.447 nan 8.150 nan 0.000 0.443 153 V N 0.235 120.115 119.914 -0.058 0.000 2.490 153 V HA -0.258 3.862 4.120 0.000 0.000 0.250 153 V C 2.350 178.399 176.094 -0.075 0.000 1.061 153 V CA 1.948 64.213 62.300 -0.058 0.000 1.064 153 V CB -0.648 31.149 31.823 -0.044 0.000 0.670 153 V HN 0.560 nan 8.190 nan 0.000 0.461 154 I N 0.393 120.915 120.570 -0.079 0.000 2.277 154 I HA -0.067 4.103 4.170 0.000 0.000 0.243 154 I C 2.640 178.666 176.117 -0.151 0.000 1.094 154 I CA 1.520 62.764 61.300 -0.094 0.000 1.393 154 I CB -0.996 36.965 38.000 -0.065 0.000 1.078 154 I HN 0.378 nan 8.210 nan 0.000 0.417 155 G N 1.111 109.807 108.800 -0.173 0.000 2.462 155 G HA2 -0.250 3.711 3.960 0.000 0.000 0.220 155 G HA3 -0.250 3.711 3.960 0.000 0.000 0.220 155 G C 1.636 176.403 174.900 -0.221 0.000 1.121 155 G CA 0.631 45.578 45.100 -0.255 0.000 0.758 155 G HN 0.240 nan 8.290 nan 0.000 0.559 156 L N -0.125 121.007 121.223 -0.152 0.000 2.162 156 L HA 0.180 4.520 4.340 0.000 0.000 0.205 156 L C 2.649 179.449 176.870 -0.116 0.000 1.086 156 L CA 1.865 56.634 54.840 -0.119 0.000 0.778 156 L CB -0.438 41.569 42.059 -0.085 0.000 0.928 156 L HN 0.335 nan 8.230 nan 0.000 0.446 157 Q N -0.771 118.956 119.800 -0.121 0.000 2.167 157 Q HA -0.131 4.210 4.340 0.000 0.000 0.202 157 Q C 1.778 177.675 176.000 -0.172 0.000 0.970 157 Q CA 1.570 57.302 55.803 -0.117 0.000 0.855 157 Q CB 0.069 28.747 28.738 -0.100 0.000 0.911 157 Q HN 0.596 nan 8.270 nan 0.000 0.438 158 L N -1.636 119.445 121.223 -0.237 0.000 2.556 158 L HA 0.308 4.648 4.340 0.000 0.000 0.226 158 L C 0.910 177.660 176.870 -0.200 0.000 1.089 158 L CA 0.374 54.990 54.840 -0.373 0.000 0.864 158 L CB 0.681 42.432 42.059 -0.512 0.000 1.067 158 L HN 0.365 nan 8.230 nan 0.000 0.477 159 G N 1.351 110.050 108.800 -0.167 0.000 2.325 159 G HA2 -0.155 3.805 3.960 0.000 0.000 0.248 159 G HA3 -0.155 3.805 3.960 0.000 0.000 0.248 159 G C 0.101 174.916 174.900 -0.141 0.000 1.108 159 G CA -0.033 45.008 45.100 -0.099 0.000 0.881 159 G HN 0.407 nan 8.290 nan 0.000 0.494 160 A N -0.081 122.477 122.820 -0.436 0.000 2.309 160 A HA 0.785 5.105 4.320 0.000 0.000 0.290 160 A C 1.055 178.440 177.584 -0.331 0.000 1.206 160 A CA -0.157 51.450 52.037 -0.715 0.000 0.850 160 A CB 0.413 18.655 19.000 -1.263 0.000 1.118 160 A HN 0.534 nan 8.150 nan 0.000 0.523 161 R N 2.241 122.630 120.500 -0.185 0.000 2.535 161 R HA 0.215 4.555 4.340 0.000 0.000 0.323 161 R C 0.949 177.206 176.300 -0.073 0.000 0.979 161 R CA 0.631 56.670 56.100 -0.101 0.000 1.120 161 R CB 0.851 31.124 30.300 -0.045 0.000 1.306 161 R HN 0.689 nan 8.270 nan 0.000 0.540 162 A N 1.028 123.798 122.820 -0.084 0.000 2.415 162 A HA 0.477 4.798 4.320 0.000 0.000 0.248 162 A C 0.440 177.982 177.584 -0.069 0.000 1.299 162 A CA 0.286 52.296 52.037 -0.045 0.000 0.899 162 A CB 0.253 19.256 19.000 0.005 0.000 0.997 162 A HN 0.287 nan 8.150 nan 0.000 0.506 163 G N -1.436 107.301 108.800 -0.105 0.000 2.931 163 G HA2 0.242 4.203 3.960 0.000 0.000 0.675 163 G HA3 0.242 4.203 3.960 0.000 0.000 0.675 163 G C -1.134 173.688 174.900 -0.130 0.000 1.339 163 G CA -0.413 44.629 45.100 -0.097 0.000 0.866 163 G HN 0.759 nan 8.290 nan 0.000 0.616 164 V N 3.682 123.528 119.914 -0.113 0.000 2.376 164 V HA 0.741 4.861 4.120 0.000 0.000 0.287 164 V C 0.412 176.455 176.094 -0.086 0.000 1.015 164 V CA -0.312 61.920 62.300 -0.113 0.000 0.834 164 V CB 1.403 33.153 31.823 -0.122 0.000 1.001 164 V HN 0.766 nan 8.190 nan 0.000 0.428 165 M N 3.385 122.938 119.600 -0.078 0.000 2.465 165 M HA 0.577 5.057 4.480 0.000 0.000 0.316 165 M C -0.631 175.623 176.300 -0.076 0.000 1.121 165 M CA -0.332 54.917 55.300 -0.083 0.000 0.934 165 M CB 2.763 35.304 32.600 -0.098 0.000 1.692 165 M HN 0.474 nan 8.290 nan 0.000 0.444 166 T N 2.328 116.832 114.554 -0.084 0.000 2.934 166 T HA 0.500 4.851 4.350 0.000 0.000 0.328 166 T C -2.601 172.046 174.700 -0.089 0.000 1.068 166 T CA -1.201 60.859 62.100 -0.067 0.000 1.018 166 T CB 0.491 69.331 68.868 -0.047 0.000 1.009 166 T HN 0.309 nan 8.240 nan 0.000 0.471 167 P HA 0.475 nan 4.420 nan 0.000 0.284 167 P C -0.798 176.463 177.300 -0.065 0.000 1.253 167 P CA -0.721 62.312 63.100 -0.112 0.000 0.800 167 P CB 0.847 32.487 31.700 -0.100 0.000 0.961 168 V N -0.189 119.679 119.914 -0.077 0.000 2.407 168 V HA 0.680 4.801 4.120 0.000 0.000 0.291 168 V C 0.137 176.160 176.094 -0.118 0.000 1.018 168 V CA -0.487 61.779 62.300 -0.058 0.000 0.842 168 V CB 1.295 33.101 31.823 -0.028 0.000 0.996 168 V HN 0.588 nan 8.190 nan 0.000 0.426 169 S N 2.544 118.185 115.700 -0.097 0.000 2.794 169 S HA 0.749 5.219 4.470 0.000 0.000 0.244 169 S C 0.715 175.374 174.600 0.098 0.000 1.045 169 S CA 0.391 58.495 58.200 -0.160 0.000 1.114 169 S CB 0.483 63.500 63.200 -0.305 0.000 1.085 169 S HN 2.448 nan 8.310 nan 0.000 0.488 170 A N 2.356 125.237 122.820 0.100 0.000 5.251 170 A HA -0.423 3.898 4.320 0.000 0.000 0.334 170 A C 1.473 179.093 177.584 0.060 0.000 1.764 170 A CA 2.088 54.191 52.037 0.109 0.000 0.708 170 A CB -1.928 17.180 19.000 0.180 0.000 1.420 170 A HN 0.610 nan 8.150 nan 0.000 0.394 171 Q N 0.592 120.406 119.800 0.024 0.000 2.437 171 Q HA 0.095 4.435 4.340 0.000 0.000 0.210 171 Q C 1.841 177.904 176.000 0.104 0.000 0.972 171 Q CA 1.637 57.471 55.803 0.051 0.000 0.903 171 Q CB -0.175 28.579 28.738 0.027 0.000 0.967 171 Q HN 1.077 nan 8.270 nan 0.000 0.486 172 S N -2.373 113.359 115.700 0.053 0.000 2.602 172 S HA 0.250 4.720 4.470 0.000 0.000 0.240 172 S C 1.203 175.811 174.600 0.014 0.000 0.992 172 S CA -0.316 57.890 58.200 0.010 0.000 0.971 172 S CB 0.487 63.684 63.200 -0.006 0.000 0.855 172 S HN 0.057 nan 8.310 nan 0.000 0.481 173 S N 1.877 117.593 115.700 0.025 0.000 2.387 173 S HA 0.061 4.532 4.470 0.000 0.000 0.226 173 S C 2.072 176.688 174.600 0.027 0.000 1.026 173 S CA 1.187 59.397 58.200 0.017 0.000 0.972 173 S CB -0.839 62.371 63.200 0.017 0.000 0.814 173 S HN 0.739 nan 8.310 nan 0.000 0.477 174 G N 0.960 109.778 108.800 0.031 0.000 2.432 174 G HA2 -0.125 3.835 3.960 0.000 0.000 0.219 174 G HA3 -0.125 3.835 3.960 0.000 0.000 0.219 174 G C 1.504 176.425 174.900 0.035 0.000 1.135 174 G CA 1.002 46.122 45.100 0.034 0.000 0.767 174 G HN 0.512 nan 8.290 nan 0.000 0.550 175 S N -0.385 115.327 115.700 0.020 0.000 2.388 175 S HA 0.020 4.490 4.470 0.000 0.000 0.223 175 S C 2.035 176.644 174.600 0.015 0.000 1.034 175 S CA 0.676 58.883 58.200 0.012 0.000 0.963 175 S CB -0.014 63.168 63.200 -0.030 0.000 0.827 175 S HN 0.540 nan 8.310 nan 0.000 0.481 176 E N 1.317 121.532 120.200 0.025 0.000 2.153 176 E HA -0.114 4.237 4.350 0.000 0.000 0.194 176 E C 2.053 178.749 176.600 0.160 0.000 0.988 176 E CA 0.828 57.268 56.400 0.067 0.000 0.811 176 E CB -0.131 29.619 29.700 0.085 0.000 0.746 176 E HN 0.455 nan 8.360 nan 0.000 0.466 177 A N 1.187 124.076 122.820 0.114 0.000 1.883 177 A HA -0.185 4.135 4.320 0.000 0.000 0.217 177 A C 2.116 179.771 177.584 0.119 0.000 1.186 177 A CA 1.324 53.430 52.037 0.115 0.000 0.624 177 A CB -0.623 18.417 19.000 0.066 0.000 0.822 177 A HN 0.294 nan 8.150 nan 0.000 0.444 178 I N -0.252 120.372 120.570 0.089 0.000 2.361 178 I HA -0.263 3.908 4.170 0.000 0.000 0.251 178 I C 2.857 179.014 176.117 0.068 0.000 1.133 178 I CA 0.889 62.242 61.300 0.090 0.000 1.413 178 I CB -0.226 37.833 38.000 0.099 0.000 1.073 178 I HN 0.369 nan 8.210 nan 0.000 0.424 179 A N 0.036 122.867 122.820 0.019 0.000 1.898 179 A HA -0.198 4.122 4.320 0.000 0.000 0.216 179 A C 2.195 179.769 177.584 -0.018 0.000 1.181 179 A CA 1.361 53.363 52.037 -0.058 0.000 0.620 179 A CB -0.761 18.140 19.000 -0.165 0.000 0.819 179 A HN 0.415 nan 8.150 nan 0.000 0.442 180 H N -0.668 118.441 119.070 0.065 0.000 2.470 180 H HA 0.096 4.652 4.556 0.000 0.000 0.289 180 H C 2.523 177.882 175.328 0.051 0.000 1.033 180 H CA 1.025 57.104 56.048 0.051 0.000 1.331 180 H CB -0.190 29.582 29.762 0.017 0.000 1.414 180 H HN 0.542 nan 8.280 nan 0.000 0.545 181 A N 1.193 124.117 122.820 0.174 0.000 1.883 181 A HA -0.213 4.107 4.320 0.000 0.000 0.217 181 A C 2.301 179.956 177.584 0.120 0.000 1.186 181 A CA 1.518 53.631 52.037 0.128 0.000 0.624 181 A CB -1.166 17.912 19.000 0.130 0.000 0.822 181 A HN 0.527 nan 8.150 nan 0.000 0.444 182 W N 0.775 122.038 121.300 -0.062 0.000 2.315 182 W HA -0.265 4.395 4.660 0.000 0.000 0.323 182 W C 2.493 178.926 176.519 -0.144 0.000 1.233 182 W CA 2.460 59.733 57.345 -0.120 0.000 1.267 182 W CB -0.411 28.938 29.460 -0.185 0.000 1.160 182 W HN 0.298 nan 8.180 nan 0.000 0.474 183 R N -0.512 119.958 120.500 -0.050 0.000 2.113 183 R HA -0.280 4.060 4.340 0.000 0.000 0.244 183 R C 2.145 178.318 176.300 -0.211 0.000 1.142 183 R CA 2.060 58.023 56.100 -0.229 0.000 0.953 183 R CB -0.918 29.349 30.300 -0.056 0.000 0.860 183 R HN 0.238 nan 8.270 nan 0.000 0.438 184 Q N 0.555 120.303 119.800 -0.086 0.000 2.437 184 Q HA -0.014 4.327 4.340 0.000 0.000 0.210 184 Q C 1.492 177.436 176.000 -0.094 0.000 0.972 184 Q CA 1.115 56.883 55.803 -0.059 0.000 0.903 184 Q CB 0.186 28.923 28.738 -0.002 0.000 0.967 184 Q HN 0.420 nan 8.270 nan 0.000 0.486 185 I N -1.274 119.197 120.570 -0.165 0.000 2.729 185 I HA -0.077 4.094 4.170 0.000 0.000 0.256 185 I C 1.812 177.786 176.117 -0.240 0.000 1.115 185 I CA 0.678 61.878 61.300 -0.167 0.000 1.446 185 I CB 0.011 37.922 38.000 -0.147 0.000 1.176 185 I HN 0.166 nan 8.210 nan 0.000 0.446 186 V N -1.518 118.117 119.914 -0.465 0.000 3.141 186 V HA -0.067 4.053 4.120 0.000 0.000 0.265 186 V C 1.914 177.867 176.094 -0.236 0.000 1.126 186 V CA 1.232 63.249 62.300 -0.472 0.000 1.141 186 V CB -0.398 30.756 31.823 -1.116 0.000 0.743 186 V HN 0.344 nan 8.190 nan 0.000 0.492 187 M N 0.583 120.053 119.600 -0.216 0.000 2.541 187 M HA 0.335 4.816 4.480 0.000 0.000 0.252 187 M C 1.626 177.893 176.300 -0.056 0.000 1.125 187 M CA 1.047 56.290 55.300 -0.096 0.000 1.091 187 M CB 0.317 32.866 32.600 -0.085 0.000 1.420 187 M HN 0.685 nan 8.290 nan 0.000 0.486 188 G N 0.781 109.540 108.800 -0.069 0.000 2.144 188 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 188 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 188 G C 0.117 175.002 174.900 -0.025 0.000 0.988 188 G CA 0.391 45.469 45.100 -0.036 0.000 0.659 188 G HN 0.452 nan 8.290 nan 0.000 0.522 189 D N 0.194 120.574 120.400 -0.034 0.000 2.271 189 D HA 0.520 5.160 4.640 0.000 0.000 0.206 189 D C 1.460 177.755 176.300 -0.007 0.000 0.967 189 D CA 1.602 55.591 54.000 -0.019 0.000 0.867 189 D CB 0.346 41.133 40.800 -0.022 0.000 0.960 189 D HN 0.917 nan 8.370 nan 0.000 0.509 190 A N -0.466 122.347 122.820 -0.012 0.000 2.564 190 A HA 0.536 4.857 4.320 0.000 0.000 0.288 190 A C -0.670 176.909 177.584 -0.009 0.000 1.164 190 A CA -0.626 51.417 52.037 0.010 0.000 0.712 190 A CB 1.303 20.322 19.000 0.031 0.000 1.303 190 A HN -0.157 nan 8.150 nan 0.000 0.418 191 D N -1.085 119.304 120.400 -0.019 0.000 2.479 191 D HA 0.296 4.936 4.640 0.000 0.000 0.221 191 D C -0.428 175.732 176.300 -0.234 0.000 1.104 191 D CA 0.828 54.775 54.000 -0.088 0.000 0.849 191 D CB 1.529 42.305 40.800 -0.040 0.000 1.072 191 D HN 0.419 nan 8.370 nan 0.000 0.502 192 V N -0.060 119.764 119.914 -0.149 0.000 2.969 192 V HA 0.782 4.902 4.120 0.000 0.000 0.304 192 V C -1.990 174.203 176.094 0.165 0.000 1.192 192 V CA -0.633 61.585 62.300 -0.136 0.000 0.962 192 V CB 2.006 33.595 31.823 -0.390 0.000 1.045 192 V HN 0.034 nan 8.190 nan 0.000 0.428 193 A N 4.977 127.915 122.820 0.197 0.000 2.465 193 A HA 0.768 5.088 4.320 0.000 0.000 0.292 193 A C -1.349 176.415 177.584 0.300 0.000 1.041 193 A CA -0.435 51.777 52.037 0.292 0.000 0.718 193 A CB 1.896 20.990 19.000 0.157 0.000 1.266 193 A HN 1.252 nan 8.150 nan 0.000 0.403 194 V N 1.821 121.969 119.914 0.390 0.000 2.432 194 V HA 0.481 4.601 4.120 0.000 0.000 0.271 194 V C 0.217 176.401 176.094 0.150 0.000 1.046 194 V CA -0.110 62.353 62.300 0.272 0.000 0.945 194 V CB 0.200 32.201 31.823 0.296 0.000 0.992 194 V HN 1.297 nan 8.190 nan 0.000 0.471 195 C N 2.768 122.145 119.300 0.127 0.000 2.880 195 C HA 1.072 5.532 4.460 0.000 0.000 0.320 195 C C 0.353 175.393 174.990 0.083 0.000 1.176 195 C CA 0.048 59.124 59.018 0.096 0.000 1.390 195 C CB 0.929 28.733 27.740 0.107 0.000 1.846 195 C HN 1.245 nan 8.230 nan 0.000 0.478 196 G N 0.734 109.573 108.800 0.066 0.000 2.566 196 G HA2 0.765 4.725 3.960 0.000 0.000 0.138 196 G HA3 0.765 4.725 3.960 0.000 0.000 0.138 196 G C -0.564 174.363 174.900 0.044 0.000 1.133 196 G CA 0.396 45.529 45.100 0.055 0.000 1.037 196 G HN 2.179 nan 8.290 nan 0.000 0.491 197 G N -1.098 107.726 108.800 0.039 0.000 2.732 197 G HA2 0.771 4.731 3.960 0.000 0.000 0.296 197 G HA3 0.771 4.731 3.960 0.000 0.000 0.296 197 G C -0.885 174.039 174.900 0.041 0.000 1.448 197 G CA 0.568 45.691 45.100 0.037 0.000 0.911 197 G HN 1.835 nan 8.290 nan 0.000 0.528 198 V N -1.686 118.255 119.914 0.045 0.000 3.158 198 V HA 1.042 5.163 4.120 0.000 0.000 0.315 198 V C -0.625 175.512 176.094 0.071 0.000 1.148 198 V CA -1.163 61.173 62.300 0.062 0.000 1.042 198 V CB 2.003 33.862 31.823 0.059 0.000 1.101 198 V HN 0.980 nan 8.190 nan 0.000 0.448 199 E N -0.562 119.702 120.200 0.106 0.000 2.396 199 E HA 0.627 4.977 4.350 0.000 0.000 0.280 199 E C -0.176 176.488 176.600 0.107 0.000 1.065 199 E CA 0.238 56.683 56.400 0.076 0.000 0.831 199 E CB 1.602 31.317 29.700 0.024 0.000 1.272 199 E HN 1.244 nan 8.360 nan 0.000 0.443 200 G N 1.494 110.273 108.800 -0.034 0.000 2.621 200 G HA2 0.503 4.463 3.960 0.000 0.000 0.271 200 G HA3 0.503 4.463 3.960 0.000 0.000 0.271 200 G C -2.124 172.538 174.900 -0.396 0.000 1.236 200 G CA -0.822 44.102 45.100 -0.294 0.000 0.958 200 G HN 0.461 nan 8.290 nan 0.000 0.512 201 P HA 0.290 nan 4.420 nan 0.000 0.276 201 P C -0.171 176.978 177.300 -0.253 0.000 1.261 201 P CA -0.530 62.379 63.100 -0.318 0.000 0.800 201 P CB 1.150 32.660 31.700 -0.316 0.000 1.066 202 I N 1.196 121.691 120.570 -0.125 0.000 2.587 202 I HA 0.082 4.253 4.170 0.000 0.000 0.284 202 I C 1.250 177.344 176.117 -0.037 0.000 1.134 202 I CA 0.719 61.911 61.300 -0.178 0.000 1.410 202 I CB -0.034 37.913 38.000 -0.088 0.000 1.392 202 I HN 0.267 nan 8.210 nan 0.000 0.545 203 E N 3.694 123.745 120.200 -0.248 0.000 2.428 203 E HA 0.532 4.882 4.350 0.000 0.000 0.259 203 E C 0.451 176.631 176.600 -0.699 0.000 0.930 203 E CA -0.553 55.538 56.400 -0.515 0.000 0.823 203 E CB 1.672 31.190 29.700 -0.304 0.000 1.403 203 E HN 0.512 nan 8.360 nan 0.000 0.415 204 A N 0.803 123.114 122.820 -0.849 0.000 1.854 204 A HA -0.089 4.232 4.320 0.000 0.000 0.214 204 A C 1.920 179.299 177.584 -0.341 0.000 1.192 204 A CA 0.914 52.600 52.037 -0.585 0.000 0.611 204 A CB -0.584 18.141 19.000 -0.458 0.000 0.832 204 A HN 0.487 nan 8.150 nan 0.000 0.442 205 L N 0.309 121.349 121.223 -0.304 0.000 2.012 205 L HA -0.109 4.231 4.340 0.000 0.000 0.210 205 L C -0.594 176.225 176.870 -0.084 0.000 1.073 205 L CA 2.591 57.301 54.840 -0.217 0.000 0.748 205 L CB -1.966 39.984 42.059 -0.182 0.000 0.891 205 L HN 0.175 nan 8.230 nan 0.000 0.431 206 P HA -0.164 nan 4.420 nan 0.000 0.215 206 P C 2.102 179.665 177.300 0.439 0.000 1.153 206 P CA 1.478 64.712 63.100 0.223 0.000 0.853 206 P CB 0.097 31.879 31.700 0.136 0.000 0.788 207 I N -0.861 119.881 120.570 0.287 0.000 2.202 207 I HA -0.241 3.930 4.170 0.000 0.000 0.242 207 I C 2.302 178.496 176.117 0.128 0.000 1.091 207 I CA 1.436 62.896 61.300 0.267 0.000 1.368 207 I CB -0.695 37.407 38.000 0.171 0.000 1.058 207 I HN -0.091 nan 8.210 nan 0.000 0.410 208 A N 0.662 123.495 122.820 0.022 0.000 1.902 208 A HA -0.166 4.154 4.320 0.000 0.000 0.217 208 A C 2.528 180.098 177.584 -0.022 0.000 1.181 208 A CA 1.837 53.853 52.037 -0.036 0.000 0.623 208 A CB -0.847 18.068 19.000 -0.141 0.000 0.818 208 A HN 0.431 nan 8.150 nan 0.000 0.443 209 A N -1.095 121.709 122.820 -0.027 0.000 1.877 209 A HA -0.021 4.300 4.320 0.000 0.000 0.216 209 A C 1.963 179.485 177.584 -0.103 0.000 1.186 209 A CA 1.610 53.586 52.037 -0.102 0.000 0.620 209 A CB -0.775 18.121 19.000 -0.173 0.000 0.822 209 A HN 0.462 nan 8.150 nan 0.000 0.443 210 F N 0.498 120.487 119.950 0.065 0.000 2.234 210 F HA -0.086 4.441 4.527 0.000 0.000 0.299 210 F C 2.822 178.616 175.800 -0.010 0.000 1.087 210 F CA 1.436 59.487 58.000 0.085 0.000 1.340 210 F CB -0.362 38.709 39.000 0.117 0.000 1.031 210 F HN 0.125 nan 8.300 nan 0.000 0.500 211 S N -0.348 115.415 115.700 0.104 0.000 2.356 211 S HA -0.177 4.293 4.470 0.000 0.000 0.223 211 S C 1.991 176.596 174.600 0.009 0.000 1.032 211 S CA 1.081 59.287 58.200 0.011 0.000 1.005 211 S CB -0.244 62.953 63.200 -0.005 0.000 0.867 211 S HN 0.167 nan 8.310 nan 0.000 0.449 212 M N 0.702 120.303 119.600 0.001 0.000 2.629 212 M HA 0.150 4.630 4.480 0.000 0.000 0.257 212 M C 1.435 177.728 176.300 -0.011 0.000 1.071 212 M CA 0.970 56.261 55.300 -0.016 0.000 1.077 212 M CB -1.178 31.399 32.600 -0.038 0.000 1.423 212 M HN 0.356 nan 8.290 nan 0.000 0.508 213 M N -1.859 117.751 119.600 0.016 0.000 2.441 213 M HA 0.091 4.572 4.480 0.000 0.000 0.244 213 M C 0.602 176.933 176.300 0.052 0.000 1.122 213 M CA 0.106 55.425 55.300 0.032 0.000 1.041 213 M CB 0.339 32.985 32.600 0.078 0.000 1.438 213 M HN 0.152 nan 8.290 nan 0.000 0.484 214 R N -0.106 120.417 120.500 0.038 0.000 3.651 214 R HA -0.203 4.137 4.340 0.000 0.000 0.292 214 R C 0.502 176.826 176.300 0.039 0.000 1.161 214 R CA 0.354 56.465 56.100 0.019 0.000 0.787 214 R CB -1.512 28.795 30.300 0.012 0.000 1.249 214 R HN 0.511 nan 8.270 nan 0.000 0.476 215 A N -0.165 122.707 122.820 0.086 0.000 2.095 215 A HA 0.208 4.529 4.320 0.000 0.000 0.212 215 A C 1.014 178.529 177.584 -0.115 0.000 1.162 215 A CA 0.363 52.496 52.037 0.160 0.000 0.753 215 A CB 0.242 19.536 19.000 0.489 0.000 0.840 215 A HN 0.288 nan 8.150 nan 0.000 0.468 216 M N 0.201 119.606 119.600 -0.326 0.000 2.367 216 M HA 0.302 4.782 4.480 0.000 0.000 0.339 216 M C 0.245 176.340 176.300 -0.340 0.000 1.177 216 M CA -0.255 54.666 55.300 -0.632 0.000 1.068 216 M CB 1.491 33.685 32.600 -0.676 0.000 1.602 216 M HN 0.125 nan 8.290 nan 0.000 0.457 217 S N 0.815 116.311 115.700 -0.340 0.000 2.564 217 S HA 0.214 4.684 4.470 0.000 0.000 0.278 217 S C 0.635 175.143 174.600 -0.152 0.000 1.333 217 S CA -0.316 57.772 58.200 -0.187 0.000 1.048 217 S CB 0.302 63.413 63.200 -0.148 0.000 0.900 217 S HN 0.802 nan 8.310 nan 0.000 0.505 218 T N 1.825 116.323 114.554 -0.094 0.000 3.380 218 T HA 0.309 4.659 4.350 0.000 0.000 0.289 218 T C 0.314 174.989 174.700 -0.042 0.000 1.012 218 T CA -0.493 61.569 62.100 -0.064 0.000 0.944 218 T CB -0.196 68.643 68.868 -0.048 0.000 1.172 218 T HN 0.567 nan 8.240 nan 0.000 0.502 219 R N 1.663 122.136 120.500 -0.044 0.000 4.164 219 R HA 0.276 4.616 4.340 0.000 0.000 0.195 219 R C 0.268 176.555 176.300 -0.022 0.000 1.712 219 R CA -0.076 56.007 56.100 -0.028 0.000 1.457 219 R CB -0.703 29.582 30.300 -0.025 0.000 1.387 219 R HN 0.476 nan 8.270 nan 0.000 0.785 220 N N 0.283 118.973 118.700 -0.017 0.000 2.459 220 N HA -0.150 4.591 4.740 0.000 0.000 0.181 220 N C 0.734 176.243 175.510 -0.001 0.000 1.046 220 N CA 0.936 53.979 53.050 -0.010 0.000 0.904 220 N CB 0.213 38.698 38.487 -0.004 0.000 0.964 220 N HN 0.530 nan 8.380 nan 0.000 0.444 221 D N 0.664 121.064 120.400 0.000 0.000 2.289 221 D HA -0.087 4.553 4.640 0.000 0.000 0.207 221 D C -0.058 176.246 176.300 0.008 0.000 0.966 221 D CA 0.861 54.864 54.000 0.006 0.000 0.868 221 D CB -0.073 40.730 40.800 0.005 0.000 0.943 221 D HN 0.278 nan 8.370 nan 0.000 0.514 222 E N 0.572 120.775 120.200 0.004 0.000 3.108 222 E HA 0.199 4.549 4.350 0.000 0.000 0.228 222 E C -2.175 174.428 176.600 0.005 0.000 1.176 222 E CA -1.697 54.708 56.400 0.008 0.000 0.881 222 E CB 1.962 31.666 29.700 0.007 0.000 1.354 222 E HN -0.019 nan 8.360 nan 0.000 0.400 223 P HA -0.212 nan 4.420 nan 0.000 0.216 223 P C 0.826 178.126 177.300 0.001 0.000 1.150 223 P CA 1.258 64.355 63.100 -0.005 0.000 0.843 223 P CB 0.301 32.001 31.700 0.001 0.000 0.787 224 E N -0.727 119.483 120.200 0.018 0.000 2.347 224 E HA -0.072 4.278 4.350 0.000 0.000 0.196 224 E C 1.616 178.228 176.600 0.021 0.000 1.008 224 E CA 0.532 56.948 56.400 0.025 0.000 0.852 224 E CB -0.203 29.518 29.700 0.036 0.000 0.783 224 E HN 0.361 nan 8.360 nan 0.000 0.505 225 R N -0.066 120.443 120.500 0.014 0.000 2.362 225 R HA 0.245 4.585 4.340 0.000 0.000 0.227 225 R C 1.875 178.178 176.300 0.006 0.000 0.905 225 R CA 0.358 56.467 56.100 0.014 0.000 1.067 225 R CB 0.408 30.715 30.300 0.012 0.000 1.078 225 R HN 0.015 nan 8.270 nan 0.000 0.516 226 A N 1.044 123.861 122.820 -0.005 0.000 1.898 226 A HA -0.043 4.277 4.320 0.000 0.000 0.216 226 A C 1.369 178.941 177.584 -0.020 0.000 1.181 226 A CA 0.951 52.975 52.037 -0.021 0.000 0.620 226 A CB 0.035 19.011 19.000 -0.040 0.000 0.819 226 A HN 0.152 nan 8.150 nan 0.000 0.442 227 S N 0.495 116.189 115.700 -0.010 0.000 2.409 227 S HA 0.433 4.904 4.470 0.000 0.000 0.308 227 S C -0.103 174.502 174.600 0.008 0.000 1.080 227 S CA -0.653 57.542 58.200 -0.008 0.000 1.081 227 S CB -0.307 62.889 63.200 -0.007 0.000 1.009 227 S HN 0.402 nan 8.310 nan 0.000 0.502 228 R N 4.452 124.958 120.500 0.010 0.000 2.868 228 R HA 0.283 4.623 4.340 0.000 0.000 0.289 228 R C -2.962 173.362 176.300 0.041 0.000 1.443 228 R CA -1.841 54.288 56.100 0.048 0.000 1.651 228 R CB 0.697 31.026 30.300 0.048 0.000 1.242 228 R HN 0.368 nan 8.270 nan 0.000 0.621 229 P HA -0.018 nan 4.420 nan 0.000 0.264 229 P C -0.206 177.120 177.300 0.042 0.000 1.193 229 P CA 0.162 63.181 63.100 -0.136 0.000 0.763 229 P CB 0.168 31.763 31.700 -0.176 0.000 0.810 230 F N -0.812 119.196 119.950 0.096 0.000 2.935 230 F HA -0.260 4.267 4.527 0.000 0.000 0.317 230 F C 0.638 176.618 175.800 0.300 0.000 0.699 230 F CA 1.085 59.177 58.000 0.153 0.000 1.127 230 F CB -2.367 36.670 39.000 0.063 0.000 1.491 230 F HN 0.293 nan 8.300 nan 0.000 0.337 231 D N 0.307 120.910 120.400 0.340 0.000 2.264 231 D HA 0.247 4.887 4.640 0.000 0.000 0.250 231 D C 1.136 177.497 176.300 0.102 0.000 1.113 231 D CA -0.295 53.825 54.000 0.200 0.000 0.871 231 D CB 1.033 41.909 40.800 0.127 0.000 1.167 231 D HN 0.118 nan 8.370 nan 0.000 0.447 232 K N 1.907 122.341 120.400 0.057 0.000 2.160 232 K HA -0.153 4.167 4.320 0.000 0.000 0.206 232 K C 0.137 176.752 176.600 0.024 0.000 1.047 232 K CA 1.219 57.530 56.287 0.040 0.000 0.930 232 K CB 0.177 32.686 32.500 0.014 0.000 0.720 232 K HN 0.535 nan 8.250 nan 0.000 0.450 233 D N 0.822 121.230 120.400 0.014 0.000 2.325 233 D HA -0.035 4.605 4.640 0.000 0.000 0.225 233 D C -0.066 176.240 176.300 0.009 0.000 1.096 233 D CA 0.116 54.120 54.000 0.006 0.000 0.844 233 D CB -0.015 40.783 40.800 -0.003 0.000 0.925 233 D HN 0.341 nan 8.370 nan 0.000 0.513 234 R N 1.669 122.179 120.500 0.017 0.000 2.570 234 R HA 0.052 4.393 4.340 0.000 0.000 0.277 234 R C -0.013 176.286 176.300 -0.002 0.000 1.039 234 R CA 0.288 56.393 56.100 0.007 0.000 1.065 234 R CB 0.360 30.662 30.300 0.004 0.000 0.964 234 R HN -0.168 nan 8.270 nan 0.000 0.428 235 D N 1.464 121.856 120.400 -0.013 0.000 2.650 235 D HA 0.233 4.873 4.640 0.000 0.000 0.265 235 D C 0.305 176.583 176.300 -0.036 0.000 1.339 235 D CA 0.040 54.028 54.000 -0.020 0.000 0.816 235 D CB 0.514 41.299 40.800 -0.025 0.000 1.091 235 D HN 0.884 nan 8.370 nan 0.000 0.483 236 G N 0.335 109.121 108.800 -0.023 0.000 2.353 236 G HA2 0.184 4.145 3.960 0.000 0.000 0.615 236 G HA3 0.184 4.145 3.960 0.000 0.000 0.615 236 G C -0.717 174.171 174.900 -0.020 0.000 1.280 236 G CA -0.645 44.444 45.100 -0.019 0.000 1.000 236 G HN 0.328 nan 8.290 nan 0.000 0.516 237 F N -0.576 119.318 119.950 -0.094 0.000 2.380 237 F HA 0.866 5.393 4.527 0.000 0.000 0.321 237 F C 0.102 175.798 175.800 -0.174 0.000 1.103 237 F CA -1.343 56.583 58.000 -0.123 0.000 1.067 237 F CB 1.564 40.511 39.000 -0.089 0.000 1.265 237 F HN 0.474 nan 8.300 nan 0.000 0.517 238 V N 2.632 122.549 119.914 0.004 0.000 2.588 238 V HA 0.268 4.389 4.120 0.000 0.000 0.304 238 V C -0.659 175.521 176.094 0.143 0.000 1.042 238 V CA -0.784 61.456 62.300 -0.101 0.000 0.877 238 V CB 1.344 33.136 31.823 -0.053 0.000 0.996 238 V HN 0.652 nan 8.190 nan 0.000 0.425 239 F N 2.872 122.839 119.950 0.028 0.000 2.543 239 F HA 0.525 5.052 4.527 0.001 0.000 0.375 239 F C 1.079 176.877 175.800 -0.004 0.000 1.075 239 F CA -0.170 57.864 58.000 0.056 0.000 1.225 239 F CB 0.844 39.828 39.000 -0.028 0.000 1.099 239 F HN 0.555 nan 8.300 nan 0.000 0.561 240 G N 4.577 113.533 108.800 0.260 0.000 2.866 240 G HA2 0.341 4.302 3.960 0.000 0.000 0.291 240 G HA3 0.341 4.302 3.960 0.000 0.000 0.291 240 G C -0.846 174.107 174.900 0.088 0.000 1.476 240 G CA -0.648 44.524 45.100 0.121 0.000 1.048 240 G HN 0.540 nan 8.290 nan 0.000 0.542 241 E N 0.615 120.848 120.200 0.056 0.000 2.414 241 E HA 0.460 4.811 4.350 0.000 0.000 0.263 241 E C 0.411 177.064 176.600 0.089 0.000 1.000 241 E CA 0.553 56.987 56.400 0.058 0.000 0.914 241 E CB 1.264 31.023 29.700 0.098 0.000 0.948 241 E HN 0.702 nan 8.360 nan 0.000 0.444 242 A N 2.019 124.889 122.820 0.085 0.000 2.536 242 A HA 0.822 5.143 4.320 0.000 0.000 0.293 242 A C -0.887 176.749 177.584 0.086 0.000 1.119 242 A CA -0.148 51.941 52.037 0.085 0.000 0.654 242 A CB 1.955 20.995 19.000 0.067 0.000 1.291 242 A HN 0.606 nan 8.150 nan 0.000 0.439 243 G N -1.376 107.467 108.800 0.071 0.000 2.742 243 G HA2 0.856 4.817 3.960 0.000 0.000 0.296 243 G HA3 0.856 4.817 3.960 0.000 0.000 0.296 243 G C -0.985 173.942 174.900 0.045 0.000 1.436 243 G CA 0.414 45.550 45.100 0.061 0.000 0.928 243 G HN 2.152 nan 8.290 nan 0.000 0.520 244 A N 1.144 123.986 122.820 0.037 0.000 2.488 244 A HA 0.810 5.130 4.320 0.000 0.000 0.295 244 A C -1.281 176.323 177.584 0.033 0.000 1.045 244 A CA -0.472 51.583 52.037 0.029 0.000 0.703 244 A CB 1.119 20.131 19.000 0.019 0.000 1.271 244 A HN 0.911 nan 8.150 nan 0.000 0.400 245 L N 2.870 124.114 121.223 0.034 0.000 2.408 245 L HA 0.777 5.117 4.340 0.000 0.000 0.268 245 L C -0.100 176.799 176.870 0.048 0.000 0.986 245 L CA -0.594 54.276 54.840 0.050 0.000 0.820 245 L CB 2.189 44.287 42.059 0.064 0.000 1.303 245 L HN 0.961 nan 8.230 nan 0.000 0.411 246 M N 1.754 121.391 119.600 0.063 0.000 2.724 246 M HA 0.728 5.209 4.480 0.000 0.000 0.310 246 M C -1.547 174.808 176.300 0.092 0.000 1.217 246 M CA -0.908 54.427 55.300 0.058 0.000 0.894 246 M CB 2.436 35.065 32.600 0.049 0.000 1.719 246 M HN 0.348 nan 8.290 nan 0.000 0.479 247 L N 3.202 124.469 121.223 0.073 0.000 2.313 247 L HA 0.763 5.103 4.340 0.000 0.000 0.283 247 L C -1.083 175.826 176.870 0.064 0.000 1.013 247 L CA -0.681 54.208 54.840 0.083 0.000 0.816 247 L CB 1.485 43.566 42.059 0.036 0.000 1.236 247 L HN 0.838 nan 8.230 nan 0.000 0.419 248 I N 1.951 122.570 120.570 0.082 0.000 2.828 248 I HA 0.883 5.053 4.170 0.000 0.000 0.302 248 I C -1.072 175.065 176.117 0.033 0.000 1.101 248 I CA -0.402 60.944 61.300 0.076 0.000 1.031 248 I CB 2.337 40.410 38.000 0.122 0.000 1.231 248 I HN 0.785 nan 8.210 nan 0.000 0.427 249 E N 1.752 121.966 120.200 0.024 0.000 2.442 249 E HA 0.320 4.671 4.350 0.000 0.000 0.278 249 E C -1.201 175.416 176.600 0.028 0.000 1.082 249 E CA -1.011 55.370 56.400 -0.032 0.000 0.861 249 E CB 1.232 30.866 29.700 -0.110 0.000 1.462 249 E HN 0.737 nan 8.360 nan 0.000 0.458 250 T N -2.145 112.426 114.554 0.029 0.000 2.926 250 T HA 0.059 4.410 4.350 0.000 0.000 0.307 250 T C 0.970 175.734 174.700 0.106 0.000 1.059 250 T CA 0.147 62.292 62.100 0.075 0.000 1.122 250 T CB 1.365 70.279 68.868 0.077 0.000 0.972 250 T HN 0.712 nan 8.240 nan 0.000 0.545 251 E N 0.675 120.941 120.200 0.110 0.000 2.160 251 E HA -0.243 4.108 4.350 0.000 0.000 0.195 251 E C 1.924 178.584 176.600 0.100 0.000 0.991 251 E CA 1.469 57.938 56.400 0.116 0.000 0.810 251 E CB -0.029 29.758 29.700 0.144 0.000 0.742 251 E HN 0.916 nan 8.360 nan 0.000 0.466 252 E N -0.561 119.698 120.200 0.098 0.000 2.150 252 E HA -0.237 4.113 4.350 0.000 0.000 0.193 252 E C 2.089 178.737 176.600 0.080 0.000 0.985 252 E CA 0.915 57.362 56.400 0.079 0.000 0.814 252 E CB -0.081 29.662 29.700 0.072 0.000 0.752 252 E HN 0.380 nan 8.360 nan 0.000 0.466 253 H N -0.318 118.758 119.070 0.011 0.000 2.415 253 H HA 0.091 4.647 4.556 0.001 0.000 0.297 253 H C 1.805 177.118 175.328 -0.024 0.000 1.048 253 H CA 1.326 57.371 56.048 -0.005 0.000 1.365 253 H CB 0.150 29.910 29.762 -0.002 0.000 1.421 253 H HN 0.246 nan 8.280 nan 0.000 0.533 254 A N 1.743 124.652 122.820 0.148 0.000 1.877 254 A HA -0.141 4.179 4.320 0.000 0.000 0.216 254 A C 2.459 180.033 177.584 -0.017 0.000 1.186 254 A CA 1.470 53.538 52.037 0.052 0.000 0.620 254 A CB -0.488 18.523 19.000 0.019 0.000 0.822 254 A HN 0.286 nan 8.150 nan 0.000 0.443 255 K N -0.266 120.137 120.400 0.004 0.000 2.103 255 K HA -0.133 4.187 4.320 0.000 0.000 0.207 255 K C 2.121 178.701 176.600 -0.034 0.000 1.048 255 K CA 1.339 57.627 56.287 0.000 0.000 0.930 255 K CB -0.332 32.188 32.500 0.033 0.000 0.716 255 K HN 0.408 nan 8.250 nan 0.000 0.444 256 A N 1.692 124.472 122.820 -0.065 0.000 2.015 256 A HA -0.155 4.166 4.320 0.000 0.000 0.219 256 A C 1.797 179.309 177.584 -0.121 0.000 1.163 256 A CA 1.338 53.317 52.037 -0.096 0.000 0.646 256 A CB -0.285 18.637 19.000 -0.131 0.000 0.806 256 A HN 0.502 nan 8.150 nan 0.000 0.448 257 R N -1.947 118.465 120.500 -0.146 0.000 2.432 257 R HA 0.400 4.740 4.340 0.000 0.000 0.260 257 R C 0.978 177.217 176.300 -0.102 0.000 0.935 257 R CA 0.630 56.645 56.100 -0.142 0.000 1.080 257 R CB -0.404 29.780 30.300 -0.193 0.000 1.155 257 R HN 0.649 nan 8.270 nan 0.000 0.531 258 G N 0.348 109.101 108.800 -0.078 0.000 2.148 258 G HA2 -0.333 3.627 3.960 0.000 0.000 0.254 258 G HA3 -0.333 3.627 3.960 0.000 0.000 0.254 258 G C 0.245 175.103 174.900 -0.069 0.000 0.981 258 G CA 0.069 45.132 45.100 -0.062 0.000 0.670 258 G HN 0.677 nan 8.290 nan 0.000 0.528 259 A N -0.194 122.578 122.820 -0.081 0.000 2.366 259 A HA 0.685 5.005 4.320 0.000 0.000 0.272 259 A C 0.427 177.947 177.584 -0.108 0.000 1.135 259 A CA 0.561 52.542 52.037 -0.094 0.000 0.804 259 A CB 0.568 19.509 19.000 -0.098 0.000 1.064 259 A HN 0.830 nan 8.150 nan 0.000 0.499 260 K N 3.886 124.213 120.400 -0.123 0.000 2.264 260 K HA 0.479 4.799 4.320 0.000 0.000 0.277 260 K C -2.756 173.684 176.600 -0.267 0.000 1.067 260 K CA -1.602 54.583 56.287 -0.170 0.000 0.900 260 K CB 0.552 32.991 32.500 -0.101 0.000 1.124 260 K HN 0.358 nan 8.250 nan 0.000 0.469 261 P HA 0.017 nan 4.420 nan 0.000 0.268 261 P C -0.261 176.791 177.300 -0.413 0.000 1.204 261 P CA -0.037 62.732 63.100 -0.551 0.000 0.768 261 P CB 0.659 31.751 31.700 -1.014 0.000 0.842 262 L N 1.305 122.411 121.223 -0.196 0.000 2.477 262 L HA 0.388 4.729 4.340 0.000 0.000 0.220 262 L C 1.038 177.895 176.870 -0.021 0.000 1.106 262 L CA 0.461 55.242 54.840 -0.098 0.000 0.851 262 L CB -0.226 41.772 42.059 -0.102 0.000 0.994 262 L HN 0.437 nan 8.230 nan 0.000 0.462 263 A N -0.332 122.495 122.820 0.012 0.000 2.483 263 A HA 0.677 4.998 4.320 0.000 0.000 0.294 263 A C -1.293 176.410 177.584 0.199 0.000 1.077 263 A CA -0.789 51.331 52.037 0.139 0.000 0.633 263 A CB 0.927 19.992 19.000 0.108 0.000 1.318 263 A HN 0.034 nan 8.150 nan 0.000 0.455 264 R N -0.569 120.096 120.500 0.274 0.000 2.589 264 R HA 0.630 4.970 4.340 0.000 0.000 0.293 264 R C -1.440 174.996 176.300 0.227 0.000 0.963 264 R CA -0.757 55.495 56.100 0.254 0.000 0.905 264 R CB 1.914 32.367 30.300 0.255 0.000 1.144 264 R HN 0.487 nan 8.270 nan 0.000 0.459 265 L N 4.398 125.677 121.223 0.094 0.000 2.277 265 L HA 0.279 4.619 4.340 0.000 0.000 0.284 265 L C -0.142 176.587 176.870 -0.235 0.000 1.028 265 L CA 0.210 54.893 54.840 -0.262 0.000 0.835 265 L CB 0.867 42.808 42.059 -0.198 0.000 1.215 265 L HN 0.768 nan 8.230 nan 0.000 0.425 266 L N 3.899 124.904 121.223 -0.364 0.000 2.316 266 L HA 0.509 4.849 4.340 0.000 0.000 0.207 266 L C 1.041 177.650 176.870 -0.435 0.000 1.070 266 L CA 0.535 55.270 54.840 -0.176 0.000 0.820 266 L CB -0.054 41.963 42.059 -0.070 0.000 0.992 266 L HN 0.744 nan 8.230 nan 0.000 0.466 267 G N -0.872 107.373 108.800 -0.926 0.000 2.623 267 G HA2 0.704 4.664 3.960 0.000 0.000 0.290 267 G HA3 0.704 4.664 3.960 0.000 0.000 0.290 267 G C -2.124 172.085 174.900 -1.151 0.000 1.437 267 G CA 0.088 44.487 45.100 -1.168 0.000 0.798 267 G HN 0.039 nan 8.290 nan 0.000 0.488 268 A N -0.857 121.414 122.820 -0.915 0.000 2.488 268 A HA 0.868 5.188 4.320 0.000 0.000 0.295 268 A C -0.268 177.150 177.584 -0.277 0.000 1.045 268 A CA 0.072 51.776 52.037 -0.555 0.000 0.703 268 A CB 1.687 20.367 19.000 -0.533 0.000 1.271 268 A HN 2.031 nan 8.150 nan 0.000 0.400 269 G N 1.161 109.847 108.800 -0.191 0.000 2.544 269 G HA2 0.615 4.575 3.960 0.000 0.000 0.313 269 G HA3 0.615 4.575 3.960 0.000 0.000 0.313 269 G C -0.936 173.927 174.900 -0.062 0.000 1.316 269 G CA -0.412 44.630 45.100 -0.096 0.000 0.944 269 G HN 0.671 nan 8.290 nan 0.000 0.489 270 I N 2.506 123.057 120.570 -0.031 0.000 2.418 270 I HA 0.503 4.674 4.170 0.000 0.000 0.287 270 I C 0.448 176.591 176.117 0.043 0.000 1.008 270 I CA -0.607 60.697 61.300 0.006 0.000 1.104 270 I CB 2.328 40.323 38.000 -0.008 0.000 1.264 270 I HN 0.648 nan 8.210 nan 0.000 0.438 271 T N 1.512 116.111 114.554 0.074 0.000 2.626 271 T HA 0.824 5.174 4.350 0.000 0.000 0.279 271 T C -0.351 174.418 174.700 0.116 0.000 0.983 271 T CA -0.697 61.452 62.100 0.082 0.000 1.059 271 T CB 1.931 70.836 68.868 0.062 0.000 1.396 271 T HN 0.570 nan 8.240 nan 0.000 0.519 272 S N -0.987 114.770 115.700 0.094 0.000 2.607 272 S HA 0.562 5.032 4.470 0.000 0.000 0.273 272 S C -0.523 174.108 174.600 0.051 0.000 1.148 272 S CA -0.739 57.516 58.200 0.093 0.000 0.833 272 S CB 1.780 65.049 63.200 0.114 0.000 1.130 272 S HN 0.609 nan 8.310 nan 0.000 0.470 273 D N 0.992 121.414 120.400 0.037 0.000 2.216 273 D HA 0.319 4.960 4.640 0.000 0.000 0.208 273 D C 1.128 177.482 176.300 0.090 0.000 0.960 273 D CA 1.402 55.426 54.000 0.041 0.000 0.861 273 D CB -0.367 40.464 40.800 0.051 0.000 0.985 273 D HN 1.178 nan 8.370 nan 0.000 0.493 274 A N -0.140 122.729 122.820 0.081 0.000 2.154 274 A HA -0.238 4.082 4.320 0.000 0.000 0.274 274 A C 0.416 178.103 177.584 0.172 0.000 1.373 274 A CA 0.909 52.997 52.037 0.086 0.000 0.751 274 A CB -1.858 17.179 19.000 0.062 0.000 1.149 274 A HN 0.382 nan 8.150 nan 0.000 0.337 275 F N -0.248 119.697 119.950 -0.007 0.000 1.964 275 F HA 0.372 4.899 4.527 0.000 0.000 0.248 275 F C 0.648 176.490 175.800 0.069 0.000 1.051 275 F CA 1.153 59.165 58.000 0.020 0.000 1.221 275 F CB 0.462 39.471 39.000 0.015 0.000 1.497 275 F HN 0.677 nan 8.300 nan 0.000 0.653 276 H N 0.412 119.438 119.070 -0.074 0.000 3.016 276 H HA 0.328 4.885 4.556 0.000 0.000 0.362 276 H C 0.366 175.643 175.328 -0.085 0.000 1.233 276 H CA -0.470 55.464 56.048 -0.190 0.000 1.124 276 H CB 2.056 31.693 29.762 -0.208 0.000 1.850 276 H HN 0.033 nan 8.280 nan 0.000 0.549 277 M N 2.410 121.718 119.600 -0.488 0.000 2.319 277 M HA -0.066 4.415 4.480 0.000 0.000 0.265 277 M C 1.584 177.784 176.300 -0.166 0.000 1.068 277 M CA 1.272 56.400 55.300 -0.288 0.000 1.118 277 M CB -0.365 32.019 32.600 -0.360 0.000 1.395 277 M HN 0.525 nan 8.290 nan 0.000 0.435 278 V N -4.739 115.161 119.914 -0.023 0.000 3.359 278 V HA 0.529 4.649 4.120 0.000 0.000 0.270 278 V C 0.696 176.829 176.094 0.064 0.000 1.583 278 V CA -0.096 62.003 62.300 -0.335 0.000 1.019 278 V CB -0.512 30.764 31.823 -0.910 0.000 0.831 278 V HN 0.100 nan 8.190 nan 0.000 0.426 279 A N 2.198 125.186 122.820 0.280 0.000 2.301 279 A HA 0.895 5.215 4.320 0.000 0.000 0.312 279 A C -2.782 174.971 177.584 0.281 0.000 1.182 279 A CA -1.650 50.467 52.037 0.133 0.000 0.826 279 A CB 0.350 19.227 19.000 -0.207 0.000 1.134 279 A HN 0.338 nan 8.150 nan 0.000 0.501 280 P HA 0.345 nan 4.420 nan 0.000 0.275 280 P C -0.106 177.074 177.300 -0.200 0.000 1.227 280 P CA -0.066 63.039 63.100 0.007 0.000 0.781 280 P CB 0.893 32.533 31.700 -0.100 0.000 0.906 281 A N 2.905 125.390 122.820 -0.559 0.000 2.565 281 A HA 0.270 4.590 4.320 0.000 0.000 0.237 281 A C 1.588 178.787 177.584 -0.641 0.000 1.053 281 A CA 0.569 51.856 52.037 -1.250 0.000 0.755 281 A CB -0.507 17.957 19.000 -0.894 0.000 0.980 281 A HN 0.618 nan 8.150 nan 0.000 0.506 282 A N 1.997 124.480 122.820 -0.563 0.000 2.066 282 A HA -0.041 4.279 4.320 0.000 0.000 0.218 282 A C 1.492 178.956 177.584 -0.199 0.000 1.157 282 A CA 1.609 53.493 52.037 -0.254 0.000 0.670 282 A CB -0.421 18.499 19.000 -0.133 0.000 0.804 282 A HN 0.916 nan 8.150 nan 0.000 0.453 283 D N -1.333 118.929 120.400 -0.231 0.000 2.347 283 D HA 0.152 4.793 4.640 0.000 0.000 0.215 283 D C 1.287 177.502 176.300 -0.142 0.000 0.976 283 D CA 0.843 54.752 54.000 -0.151 0.000 0.884 283 D CB -0.977 39.746 40.800 -0.128 0.000 0.915 283 D HN 0.655 nan 8.370 nan 0.000 0.526 284 G N 0.070 108.754 108.800 -0.194 0.000 2.296 284 G HA2 -0.327 3.633 3.960 0.000 0.000 0.282 284 G HA3 -0.327 3.633 3.960 0.000 0.000 0.282 284 G C 1.023 175.846 174.900 -0.129 0.000 1.014 284 G CA 0.666 45.657 45.100 -0.183 0.000 0.812 284 G HN 0.371 nan 8.290 nan 0.000 0.508 285 V N -0.096 119.748 119.914 -0.117 0.000 2.346 285 V HA -0.069 4.051 4.120 0.000 0.000 0.244 285 V C 2.845 178.907 176.094 -0.052 0.000 1.037 285 V CA 2.184 64.442 62.300 -0.071 0.000 1.029 285 V CB -0.312 31.475 31.823 -0.060 0.000 0.663 285 V HN 0.423 nan 8.190 nan 0.000 0.454 286 R N 0.432 120.893 120.500 -0.064 0.000 2.115 286 R HA 0.112 4.453 4.340 0.000 0.000 0.226 286 R C 2.228 178.525 176.300 -0.005 0.000 1.100 286 R CA 1.315 57.399 56.100 -0.027 0.000 0.980 286 R CB -1.134 29.154 30.300 -0.021 0.000 0.875 286 R HN 0.514 nan 8.270 nan 0.000 0.445 287 A N 0.422 123.214 122.820 -0.048 0.000 1.968 287 A HA 0.042 4.362 4.320 0.000 0.000 0.217 287 A C 2.349 179.987 177.584 0.088 0.000 1.169 287 A CA 1.433 53.483 52.037 0.022 0.000 0.638 287 A CB -0.816 17.989 19.000 -0.324 0.000 0.812 287 A HN 0.366 nan 8.150 nan 0.000 0.446 288 G N -0.089 108.720 108.800 0.015 0.000 2.418 288 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 288 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 288 G C 1.661 176.578 174.900 0.029 0.000 1.158 288 G CA 1.191 46.308 45.100 0.029 0.000 0.771 288 G HN 0.532 nan 8.290 nan 0.000 0.545 289 R N 1.144 121.655 120.500 0.018 0.000 2.237 289 R HA 0.205 4.546 4.340 0.000 0.000 0.219 289 R C 2.484 178.798 176.300 0.024 0.000 1.080 289 R CA 1.497 57.607 56.100 0.016 0.000 0.995 289 R CB -0.539 29.767 30.300 0.012 0.000 0.875 289 R HN 0.236 nan 8.270 nan 0.000 0.462 290 A N 0.180 123.028 122.820 0.046 0.000 1.929 290 A HA -0.051 4.270 4.320 0.000 0.000 0.216 290 A C 2.109 179.700 177.584 0.013 0.000 1.176 290 A CA 1.362 53.425 52.037 0.043 0.000 0.628 290 A CB -0.341 18.715 19.000 0.093 0.000 0.816 290 A HN 0.386 nan 8.150 nan 0.000 0.444 291 M N -0.777 118.841 119.600 0.029 0.000 2.086 291 M HA -0.129 4.351 4.480 0.000 0.000 0.261 291 M C 2.260 178.549 176.300 -0.019 0.000 1.067 291 M CA 2.003 57.304 55.300 0.000 0.000 1.116 291 M CB -0.901 31.713 32.600 0.023 0.000 1.348 291 M HN 0.397 nan 8.290 nan 0.000 0.407 292 T N -0.054 114.496 114.554 -0.006 0.000 2.665 292 T HA -0.206 4.144 4.350 0.000 0.000 0.268 292 T C 1.816 176.506 174.700 -0.018 0.000 1.035 292 T CA 1.719 63.813 62.100 -0.011 0.000 1.151 292 T CB -0.362 68.505 68.868 -0.001 0.000 0.862 292 T HN 0.214 nan 8.240 nan 0.000 0.438 293 R N 1.618 122.109 120.500 -0.015 0.000 2.148 293 R HA -0.006 4.335 4.340 0.000 0.000 0.227 293 R C 2.466 178.740 176.300 -0.044 0.000 1.103 293 R CA 1.632 57.724 56.100 -0.013 0.000 0.983 293 R CB -0.660 29.639 30.300 -0.002 0.000 0.874 293 R HN 0.490 nan 8.270 nan 0.000 0.451 294 S N -0.692 114.955 115.700 -0.089 0.000 2.461 294 S HA -0.005 4.466 4.470 0.000 0.000 0.228 294 S C 1.810 176.325 174.600 -0.142 0.000 1.005 294 S CA 0.636 58.734 58.200 -0.171 0.000 0.942 294 S CB -0.239 62.830 63.200 -0.219 0.000 0.776 294 S HN 0.361 nan 8.310 nan 0.000 0.514 295 L N 0.735 121.906 121.223 -0.086 0.000 2.270 295 L HA 0.144 4.485 4.340 0.000 0.000 0.210 295 L C 2.691 179.538 176.870 -0.040 0.000 1.104 295 L CA 0.909 55.705 54.840 -0.074 0.000 0.804 295 L CB -0.523 41.499 42.059 -0.060 0.000 0.937 295 L HN 0.335 nan 8.230 nan 0.000 0.450 296 E N 0.643 120.837 120.200 -0.011 0.000 2.106 296 E HA -0.170 4.180 4.350 0.000 0.000 0.192 296 E C 2.258 178.905 176.600 0.078 0.000 0.984 296 E CA 1.038 57.453 56.400 0.024 0.000 0.806 296 E CB -0.024 29.697 29.700 0.035 0.000 0.750 296 E HN 0.469 nan 8.360 nan 0.000 0.458 297 L N 0.171 121.455 121.223 0.102 0.000 2.209 297 L HA 0.010 4.350 4.340 0.000 0.000 0.207 297 L C 2.475 179.505 176.870 0.266 0.000 1.094 297 L CA 0.682 55.691 54.840 0.282 0.000 0.790 297 L CB -0.220 41.978 42.059 0.231 0.000 0.932 297 L HN 0.085 nan 8.230 nan 0.000 0.447 298 A N -0.208 122.641 122.820 0.049 0.000 1.929 298 A HA 0.177 4.498 4.320 0.000 0.000 0.216 298 A C 1.817 179.408 177.584 0.011 0.000 1.176 298 A CA 1.275 53.317 52.037 0.008 0.000 0.628 298 A CB -0.522 18.406 19.000 -0.120 0.000 0.816 298 A HN 0.509 nan 8.150 nan 0.000 0.444 299 G N -2.010 106.782 108.800 -0.014 0.000 2.135 299 G HA2 -0.123 3.838 3.960 0.000 0.000 0.183 299 G HA3 -0.123 3.838 3.960 0.000 0.000 0.183 299 G C -0.112 174.731 174.900 -0.095 0.000 1.004 299 G CA 0.122 45.201 45.100 -0.035 0.000 0.677 299 G HN 0.452 nan 8.290 nan 0.000 0.512 300 L N 1.079 122.225 121.223 -0.129 0.000 2.334 300 L HA 0.812 5.152 4.340 0.000 0.000 0.270 300 L C 1.001 177.813 176.870 -0.097 0.000 1.018 300 L CA -0.560 54.174 54.840 -0.177 0.000 0.811 300 L CB 1.940 43.829 42.059 -0.284 0.000 1.271 300 L HN 0.352 nan 8.230 nan 0.000 0.443 301 S N -0.186 115.468 115.700 -0.077 0.000 2.722 301 S HA 0.505 4.975 4.470 0.000 0.000 0.292 301 S C -2.144 172.440 174.600 -0.027 0.000 1.135 301 S CA -1.311 56.866 58.200 -0.038 0.000 1.003 301 S CB 1.623 64.811 63.200 -0.021 0.000 1.067 301 S HN 0.362 nan 8.310 nan 0.000 0.546 302 P HA -0.062 nan 4.420 nan 0.000 0.216 302 P C 1.445 178.756 177.300 0.018 0.000 1.153 302 P CA 2.036 65.136 63.100 0.001 0.000 0.858 302 P CB -0.293 31.409 31.700 0.003 0.000 0.789 303 A N -0.494 122.338 122.820 0.021 0.000 2.121 303 A HA -0.159 4.161 4.320 0.000 0.000 0.218 303 A C 1.687 179.310 177.584 0.064 0.000 1.154 303 A CA 1.503 53.563 52.037 0.038 0.000 0.679 303 A CB -1.131 17.888 19.000 0.032 0.000 0.795 303 A HN 0.096 nan 8.150 nan 0.000 0.458 304 D N -0.176 120.259 120.400 0.059 0.000 2.363 304 D HA 0.024 4.664 4.640 0.000 0.000 0.220 304 D C 0.196 176.614 176.300 0.196 0.000 0.994 304 D CA 0.392 54.461 54.000 0.116 0.000 0.890 304 D CB 0.023 40.824 40.800 0.001 0.000 0.906 304 D HN 0.235 nan 8.370 nan 0.000 0.530 305 I N 1.821 122.469 120.570 0.130 0.000 2.337 305 I HA 0.025 4.195 4.170 0.000 0.000 0.291 305 I C 1.125 177.335 176.117 0.155 0.000 1.046 305 I CA -0.219 61.170 61.300 0.147 0.000 1.324 305 I CB 0.999 39.044 38.000 0.076 0.000 1.409 305 I HN -0.193 nan 8.210 nan 0.000 0.494 306 D N 3.775 124.302 120.400 0.211 0.000 2.354 306 D HA -0.023 4.617 4.640 0.000 0.000 0.209 306 D C 0.236 176.661 176.300 0.209 0.000 1.015 306 D CA 0.900 55.048 54.000 0.247 0.000 0.867 306 D CB 0.509 41.529 40.800 0.367 0.000 0.933 306 D HN 0.578 nan 8.370 nan 0.000 0.520 307 H N -0.668 118.402 119.070 -0.001 0.000 3.129 307 H HA 0.290 4.846 4.556 0.000 0.000 0.342 307 H C -1.971 173.329 175.328 -0.047 0.000 1.092 307 H CA -0.509 55.467 56.048 -0.119 0.000 1.310 307 H CB 0.908 30.473 29.762 -0.329 0.000 1.932 307 H HN -0.347 nan 8.280 nan 0.000 0.507 308 V N 5.398 125.016 119.914 -0.493 0.000 2.407 308 V HA 0.268 4.388 4.120 0.000 0.000 0.291 308 V C 0.035 175.800 176.094 -0.549 0.000 1.018 308 V CA -0.988 61.053 62.300 -0.431 0.000 0.842 308 V CB 1.321 33.041 31.823 -0.170 0.000 0.996 308 V HN 0.805 nan 8.190 nan 0.000 0.426 309 N N 4.088 122.486 118.700 -0.503 0.000 2.402 309 N HA 0.377 5.117 4.740 0.000 0.000 0.252 309 N C -0.061 175.375 175.510 -0.123 0.000 1.118 309 N CA -0.024 52.899 53.050 -0.212 0.000 0.945 309 N CB 1.596 40.030 38.487 -0.089 0.000 1.147 309 N HN 0.822 nan 8.380 nan 0.000 0.495 310 A N 2.989 125.772 122.820 -0.061 0.000 2.316 310 A HA 0.174 4.495 4.320 0.000 0.000 0.284 310 A C 1.151 178.737 177.584 0.003 0.000 1.115 310 A CA -0.389 51.677 52.037 0.047 0.000 0.812 310 A CB 0.381 19.526 19.000 0.241 0.000 1.064 310 A HN 0.904 nan 8.150 nan 0.000 0.489 311 H N 2.272 121.302 119.070 -0.068 0.000 2.352 311 H HA 0.001 4.557 4.556 0.000 0.000 0.299 311 H C 1.514 176.744 175.328 -0.163 0.000 1.097 311 H CA 1.833 57.791 56.048 -0.149 0.000 1.311 311 H CB -0.382 29.321 29.762 -0.098 0.000 1.377 311 H HN 1.188 nan 8.280 nan 0.000 0.504 312 G N 0.454 109.199 108.800 -0.092 0.000 2.121 312 G HA2 -0.294 3.667 3.960 0.000 0.000 0.237 312 G HA3 -0.294 3.667 3.960 0.000 0.000 0.237 312 G C 0.895 175.556 174.900 -0.399 0.000 0.628 312 G CA 0.920 45.814 45.100 -0.343 0.000 1.062 312 G HN 0.758 nan 8.290 nan 0.000 0.350 313 T N -0.979 113.385 114.554 -0.318 0.000 3.060 313 T HA 0.519 4.869 4.350 0.000 0.000 0.249 313 T C 1.738 176.393 174.700 -0.076 0.000 1.079 313 T CA 1.223 63.183 62.100 -0.233 0.000 1.013 313 T CB 0.319 69.112 68.868 -0.126 0.000 0.975 313 T HN 2.374 nan 8.240 nan 0.000 0.518 314 A N 1.045 123.773 122.820 -0.153 0.000 3.028 314 A HA -0.120 4.201 4.320 0.000 0.000 0.248 314 A C 0.739 178.308 177.584 -0.025 0.000 1.316 314 A CA 0.815 52.788 52.037 -0.106 0.000 1.003 314 A CB -2.864 16.099 19.000 -0.060 0.000 1.148 314 A HN 1.207 nan 8.150 nan 0.000 0.828 315 T N -3.163 111.397 114.554 0.010 0.000 2.909 315 T HA 0.585 4.935 4.350 0.000 0.000 0.289 315 T C -1.149 173.559 174.700 0.014 0.000 1.005 315 T CA -1.209 60.920 62.100 0.049 0.000 1.084 315 T CB 1.369 70.308 68.868 0.119 0.000 0.975 315 T HN 0.018 nan 8.240 nan 0.000 0.509 316 P HA -0.041 nan 4.420 nan 0.000 0.215 316 P C 1.690 179.003 177.300 0.021 0.000 1.157 316 P CA 0.879 63.990 63.100 0.019 0.000 0.868 316 P CB -0.149 31.564 31.700 0.021 0.000 0.788 317 I N -4.228 116.359 120.570 0.028 0.000 2.876 317 I HA 0.137 4.307 4.170 0.000 0.000 0.264 317 I C 1.959 178.087 176.117 0.018 0.000 1.204 317 I CA 1.160 62.473 61.300 0.022 0.000 1.485 317 I CB -1.115 36.898 38.000 0.022 0.000 1.103 317 I HN -0.173 nan 8.210 nan 0.000 0.446 318 G N 1.856 110.676 108.800 0.033 0.000 2.434 318 G HA2 -0.216 3.745 3.960 0.000 0.000 0.214 318 G HA3 -0.216 3.745 3.960 0.000 0.000 0.214 318 G C 1.070 175.967 174.900 -0.005 0.000 1.202 318 G CA 1.151 46.272 45.100 0.035 0.000 0.788 318 G HN 0.383 nan 8.290 nan 0.000 0.539 319 D N 1.031 121.383 120.400 -0.080 0.000 2.218 319 D HA 0.029 4.669 4.640 0.000 0.000 0.204 319 D C 2.660 179.051 176.300 0.152 0.000 0.976 319 D CA 1.062 54.962 54.000 -0.167 0.000 0.853 319 D CB -0.350 40.136 40.800 -0.524 0.000 0.939 319 D HN 0.323 nan 8.370 nan 0.000 0.481 320 A N 0.965 123.838 122.820 0.088 0.000 1.897 320 A HA 0.076 4.396 4.320 0.000 0.000 0.215 320 A C 2.307 179.920 177.584 0.048 0.000 1.181 320 A CA 1.799 53.892 52.037 0.093 0.000 0.620 320 A CB -0.699 18.331 19.000 0.051 0.000 0.821 320 A HN 0.218 nan 8.150 nan 0.000 0.443 321 A N -0.224 122.591 122.820 -0.008 0.000 1.877 321 A HA -0.218 4.102 4.320 0.000 0.000 0.216 321 A C 2.038 179.575 177.584 -0.078 0.000 1.186 321 A CA 1.848 53.833 52.037 -0.086 0.000 0.620 321 A CB -0.601 18.305 19.000 -0.157 0.000 0.822 321 A HN 0.642 nan 8.150 nan 0.000 0.443 322 E N -0.326 119.869 120.200 -0.009 0.000 2.268 322 E HA -0.050 4.301 4.350 0.000 0.000 0.195 322 E C 2.018 178.723 176.600 0.174 0.000 0.995 322 E CA 0.742 57.196 56.400 0.090 0.000 0.836 322 E CB -0.192 29.683 29.700 0.293 0.000 0.763 322 E HN 0.563 nan 8.360 nan 0.000 0.491 323 A N 1.356 124.296 122.820 0.200 0.000 1.873 323 A HA -0.194 4.126 4.320 0.000 0.000 0.215 323 A C 1.934 179.536 177.584 0.029 0.000 1.186 323 A CA 1.450 53.547 52.037 0.101 0.000 0.616 323 A CB -0.543 18.527 19.000 0.117 0.000 0.823 323 A HN 0.233 nan 8.150 nan 0.000 0.442 324 N N 0.666 119.376 118.700 0.016 0.000 2.069 324 N HA -0.143 4.597 4.740 0.000 0.000 0.191 324 N C 1.884 177.380 175.510 -0.024 0.000 1.031 324 N CA 1.691 54.731 53.050 -0.016 0.000 0.852 324 N CB -0.696 37.768 38.487 -0.039 0.000 1.018 324 N HN 0.461 nan 8.380 nan 0.000 0.423 325 A N 1.066 123.866 122.820 -0.034 0.000 1.917 325 A HA -0.130 4.190 4.320 0.000 0.000 0.219 325 A C 2.263 179.857 177.584 0.017 0.000 1.182 325 A CA 1.217 53.237 52.037 -0.028 0.000 0.633 325 A CB -0.748 18.218 19.000 -0.058 0.000 0.819 325 A HN 0.298 nan 8.150 nan 0.000 0.448 326 I N -1.456 119.132 120.570 0.030 0.000 2.546 326 I HA -0.173 3.997 4.170 0.000 0.000 0.255 326 I C 2.709 178.825 176.117 -0.001 0.000 1.163 326 I CA 0.790 62.102 61.300 0.019 0.000 1.457 326 I CB -0.289 37.713 38.000 0.003 0.000 1.092 326 I HN 0.267 nan 8.210 nan 0.000 0.434 327 R N 0.380 120.875 120.500 -0.007 0.000 2.057 327 R HA -0.072 4.269 4.340 0.000 0.000 0.229 327 R C 2.400 178.696 176.300 -0.007 0.000 1.136 327 R CA 1.127 57.221 56.100 -0.010 0.000 0.952 327 R CB -0.545 29.748 30.300 -0.012 0.000 0.848 327 R HN 0.149 nan 8.270 nan 0.000 0.430 328 V N 1.496 121.404 119.914 -0.010 0.000 2.278 328 V HA -0.317 3.804 4.120 0.000 0.000 0.251 328 V C 2.380 178.472 176.094 -0.004 0.000 1.062 328 V CA 2.167 64.460 62.300 -0.011 0.000 1.038 328 V CB -0.748 31.064 31.823 -0.018 0.000 0.646 328 V HN 0.459 nan 8.190 nan 0.000 0.447 329 A N -0.783 122.038 122.820 0.001 0.000 2.172 329 A HA 0.269 4.589 4.320 0.000 0.000 0.216 329 A C 1.987 179.572 177.584 0.001 0.000 1.154 329 A CA 1.219 53.259 52.037 0.004 0.000 0.701 329 A CB -0.714 18.293 19.000 0.012 0.000 0.789 329 A HN 1.466 nan 8.150 nan 0.000 0.465 330 G N -2.731 106.069 108.800 -0.000 0.000 2.198 330 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 330 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 330 G C 0.398 175.300 174.900 0.003 0.000 1.042 330 G CA 0.275 45.376 45.100 0.001 0.000 0.791 330 G HN 0.668 nan 8.290 nan 0.000 0.502 331 C N 0.690 119.990 119.300 0.000 0.000 3.104 331 C HA 0.242 4.702 4.460 0.000 0.000 0.284 331 C C 1.913 176.896 174.990 -0.011 0.000 1.326 331 C CA 0.139 59.157 59.018 -0.000 0.000 1.725 331 C CB -0.168 27.571 27.740 -0.002 0.000 2.156 331 C HN 0.712 nan 8.230 nan 0.000 0.638 332 D N 0.341 120.732 120.400 -0.015 0.000 2.392 332 D HA -0.122 4.518 4.640 0.000 0.000 0.228 332 D C 1.449 177.735 176.300 -0.023 0.000 1.003 332 D CA 0.864 54.846 54.000 -0.031 0.000 0.917 332 D CB -0.178 40.604 40.800 -0.030 0.000 0.890 332 D HN 0.400 nan 8.370 nan 0.000 0.532 333 Q N 0.149 119.947 119.800 -0.003 0.000 2.319 333 Q HA 0.315 4.655 4.340 0.000 0.000 0.202 333 Q C 0.640 176.654 176.000 0.024 0.000 0.896 333 Q CA -0.084 55.725 55.803 0.011 0.000 0.942 333 Q CB 0.531 29.282 28.738 0.021 0.000 1.083 333 Q HN 0.368 nan 8.270 nan 0.000 0.510 334 A N 1.105 123.935 122.820 0.017 0.000 2.425 334 A HA 0.524 4.845 4.320 0.000 0.000 0.242 334 A C 0.098 177.697 177.584 0.024 0.000 1.077 334 A CA 0.103 52.160 52.037 0.034 0.000 0.781 334 A CB 0.272 19.279 19.000 0.011 0.000 1.020 334 A HN 0.251 nan 8.150 nan 0.000 0.494 335 A N 1.660 124.519 122.820 0.065 0.000 2.451 335 A HA 0.500 4.820 4.320 0.000 0.000 0.266 335 A C -0.063 177.574 177.584 0.088 0.000 1.119 335 A CA -0.133 51.940 52.037 0.060 0.000 0.786 335 A CB -0.249 18.783 19.000 0.053 0.000 1.061 335 A HN 0.944 nan 8.150 nan 0.000 0.503 336 V N 4.014 123.933 119.914 0.008 0.000 2.435 336 V HA 0.373 4.493 4.120 0.000 0.000 0.290 336 V C -0.639 175.515 176.094 0.100 0.000 1.030 336 V CA -0.355 61.932 62.300 -0.021 0.000 0.881 336 V CB 1.250 32.966 31.823 -0.177 0.000 0.983 336 V HN 0.801 nan 8.190 nan 0.000 0.445 337 Y N 3.764 124.066 120.300 0.003 0.000 2.485 337 Y HA 0.778 5.328 4.550 0.000 0.000 0.345 337 Y C -0.119 175.808 175.900 0.044 0.000 0.998 337 Y CA -1.723 56.406 58.100 0.048 0.000 1.059 337 Y CB 2.108 40.664 38.460 0.160 0.000 1.234 337 Y HN 0.600 nan 8.280 nan 0.000 0.461 338 A N 7.650 130.267 122.820 -0.338 0.000 2.855 338 A HA 0.427 4.747 4.320 0.000 0.000 0.313 338 A C -2.553 174.679 177.584 -0.586 0.000 1.173 338 A CA -1.272 50.552 52.037 -0.356 0.000 0.753 338 A CB 0.504 19.495 19.000 -0.014 0.000 1.200 338 A HN 0.563 nan 8.150 nan 0.000 0.442 339 P HA -0.105 nan 4.420 nan 0.000 0.234 339 P C 0.823 177.968 177.300 -0.257 0.000 1.167 339 P CA 0.863 63.600 63.100 -0.605 0.000 0.763 339 P CB 0.204 31.611 31.700 -0.489 0.000 0.835 340 K N 0.402 120.641 120.400 -0.268 0.000 2.439 340 K HA -0.028 4.292 4.320 0.000 0.000 0.197 340 K C 2.239 178.779 176.600 -0.100 0.000 1.041 340 K CA 1.202 57.376 56.287 -0.190 0.000 0.970 340 K CB -0.301 32.029 32.500 -0.285 0.000 0.773 340 K HN 0.230 nan 8.250 nan 0.000 0.479 341 S N 0.704 116.348 115.700 -0.093 0.000 2.400 341 S HA -0.164 4.307 4.470 0.000 0.000 0.232 341 S C 2.018 176.627 174.600 0.015 0.000 1.025 341 S CA 1.174 59.364 58.200 -0.017 0.000 0.993 341 S CB -0.067 63.147 63.200 0.024 0.000 0.808 341 S HN 0.323 nan 8.310 nan 0.000 0.478 342 A N 0.399 123.229 122.820 0.016 0.000 2.026 342 A HA 0.591 4.911 4.320 0.000 0.000 0.198 342 A C 1.870 179.481 177.584 0.045 0.000 1.390 342 A CA 0.018 52.083 52.037 0.048 0.000 0.915 342 A CB -0.014 19.038 19.000 0.086 0.000 0.974 342 A HN 0.421 nan 8.150 nan 0.000 0.477 343 L N -0.592 120.647 121.223 0.027 0.000 2.664 343 L HA 0.401 4.741 4.340 0.000 0.000 0.233 343 L C 1.284 178.176 176.870 0.035 0.000 1.113 343 L CA 0.386 55.250 54.840 0.039 0.000 0.896 343 L CB -0.027 42.056 42.059 0.041 0.000 1.163 343 L HN 0.573 nan 8.230 nan 0.000 0.497 344 G N 0.196 109.006 108.800 0.017 0.000 2.750 344 G HA2 -0.293 3.668 3.960 0.000 0.000 0.228 344 G HA3 -0.293 3.668 3.960 0.000 0.000 0.228 344 G C -0.775 174.163 174.900 0.063 0.000 1.367 344 G CA -0.536 44.599 45.100 0.058 0.000 0.871 344 G HN 0.253 nan 8.290 nan 0.000 0.560 345 H N 0.636 119.736 119.070 0.051 0.000 2.504 345 H HA 0.629 5.186 4.556 0.000 0.000 0.322 345 H C 1.159 176.512 175.328 0.041 0.000 1.055 345 H CA -0.155 55.861 56.048 -0.054 0.000 1.231 345 H CB 1.077 30.683 29.762 -0.259 0.000 1.417 345 H HN 0.786 nan 8.280 nan 0.000 0.472 346 S N 5.619 121.491 115.700 0.286 0.000 2.588 346 S HA 0.177 4.647 4.470 0.000 0.000 0.245 346 S C 1.232 175.867 174.600 0.060 0.000 1.021 346 S CA -0.434 57.837 58.200 0.118 0.000 1.006 346 S CB -0.133 63.111 63.200 0.073 0.000 0.830 346 S HN 0.556 nan 8.310 nan 0.000 0.468 347 I N 1.500 122.077 120.570 0.012 0.000 4.906 347 I HA -0.377 3.793 4.170 0.000 0.000 0.038 347 I C 2.214 178.349 176.117 0.031 0.000 0.635 347 I CA 1.894 63.126 61.300 -0.112 0.000 0.216 347 I CB -2.257 35.657 38.000 -0.145 0.000 0.325 347 I HN 0.433 nan 8.210 nan 0.000 0.150 348 G N 0.297 109.109 108.800 0.020 0.000 2.479 348 G HA2 0.046 4.007 3.960 0.000 0.000 0.220 348 G HA3 0.046 4.007 3.960 0.000 0.000 0.220 348 G C 1.396 176.321 174.900 0.042 0.000 1.115 348 G CA 1.857 46.978 45.100 0.036 0.000 0.757 348 G HN 1.063 nan 8.290 nan 0.000 0.560 349 A N -0.598 122.249 122.820 0.046 0.000 2.169 349 A HA 0.444 4.764 4.320 0.000 0.000 0.210 349 A C 2.247 179.855 177.584 0.040 0.000 1.168 349 A CA 0.823 52.887 52.037 0.045 0.000 0.813 349 A CB -0.031 19.000 19.000 0.050 0.000 0.861 349 A HN 0.238 nan 8.150 nan 0.000 0.481 350 V N 0.038 119.983 119.914 0.051 0.000 2.515 350 V HA -0.099 4.021 4.120 0.000 0.000 0.250 350 V C 2.391 178.474 176.094 -0.017 0.000 1.058 350 V CA 2.222 64.530 62.300 0.013 0.000 1.064 350 V CB -0.503 31.317 31.823 -0.004 0.000 0.675 350 V HN 0.527 nan 8.190 nan 0.000 0.461 351 G N -1.019 107.787 108.800 0.009 0.000 2.422 351 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 351 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 351 G C 1.695 176.596 174.900 0.001 0.000 1.140 351 G CA 0.905 46.003 45.100 -0.003 0.000 0.775 351 G HN 0.660 nan 8.290 nan 0.000 0.545 352 A N 0.559 123.387 122.820 0.014 0.000 1.897 352 A HA 0.149 4.469 4.320 0.000 0.000 0.215 352 A C 2.309 179.889 177.584 -0.007 0.000 1.181 352 A CA 1.505 53.553 52.037 0.018 0.000 0.620 352 A CB -0.438 18.580 19.000 0.030 0.000 0.821 352 A HN 0.452 nan 8.150 nan 0.000 0.443 353 L N 0.361 121.579 121.223 -0.009 0.000 2.042 353 L HA -0.164 4.177 4.340 0.000 0.000 0.210 353 L C 1.995 178.840 176.870 -0.042 0.000 1.076 353 L CA 2.568 57.399 54.840 -0.016 0.000 0.749 353 L CB -0.582 41.475 42.059 -0.003 0.000 0.893 353 L HN 0.524 nan 8.230 nan 0.000 0.432 354 E N -1.210 118.957 120.200 -0.055 0.000 2.358 354 E HA -0.073 4.278 4.350 0.000 0.000 0.195 354 E C 2.071 178.614 176.600 -0.096 0.000 1.010 354 E CA 0.787 57.144 56.400 -0.072 0.000 0.856 354 E CB 0.025 29.663 29.700 -0.102 0.000 0.795 354 E HN 0.487 nan 8.360 nan 0.000 0.504 355 S N 0.593 116.239 115.700 -0.090 0.000 2.368 355 S HA -0.106 4.364 4.470 0.000 0.000 0.224 355 S C 2.205 176.598 174.600 -0.346 0.000 1.029 355 S CA 0.676 58.778 58.200 -0.163 0.000 0.988 355 S CB -0.034 63.177 63.200 0.018 0.000 0.838 355 S HN 0.070 nan 8.310 nan 0.000 0.462 356 V N 2.500 122.287 119.914 -0.213 0.000 2.343 356 V HA -0.160 3.960 4.120 0.000 0.000 0.247 356 V C 2.139 178.045 176.094 -0.313 0.000 1.051 356 V CA 1.503 63.657 62.300 -0.242 0.000 1.036 356 V CB -0.793 30.946 31.823 -0.141 0.000 0.654 356 V HN 0.435 nan 8.190 nan 0.000 0.451 357 L N -0.349 120.744 121.223 -0.216 0.000 2.083 357 L HA -0.167 4.174 4.340 0.000 0.000 0.209 357 L C 2.587 179.319 176.870 -0.231 0.000 1.083 357 L CA 1.903 56.629 54.840 -0.190 0.000 0.752 357 L CB -1.248 40.862 42.059 0.085 0.000 0.899 357 L HN 0.345 nan 8.230 nan 0.000 0.433 358 T N -0.518 113.908 114.554 -0.214 0.000 2.746 358 T HA -0.139 4.211 4.350 0.000 0.000 0.267 358 T C 2.051 176.558 174.700 -0.321 0.000 1.039 358 T CA 1.175 63.161 62.100 -0.189 0.000 1.142 358 T CB -0.214 68.501 68.868 -0.254 0.000 0.866 358 T HN 0.056 nan 8.240 nan 0.000 0.444 359 V N 1.549 121.147 119.914 -0.527 0.000 2.358 359 V HA -0.088 4.033 4.120 0.000 0.000 0.246 359 V C 2.471 178.348 176.094 -0.361 0.000 1.047 359 V CA 1.366 63.404 62.300 -0.437 0.000 1.035 359 V CB -0.619 30.935 31.823 -0.449 0.000 0.658 359 V HN 0.461 nan 8.190 nan 0.000 0.452 360 L N -0.542 120.351 121.223 -0.550 0.000 2.079 360 L HA -0.195 4.145 4.340 0.000 0.000 0.210 360 L C 2.570 179.117 176.870 -0.539 0.000 1.081 360 L CA 1.923 56.267 54.840 -0.827 0.000 0.752 360 L CB -1.129 39.863 42.059 -1.778 0.000 0.896 360 L HN 0.343 nan 8.230 nan 0.000 0.433 361 T N 0.360 114.699 114.554 -0.358 0.000 2.746 361 T HA -0.128 4.223 4.350 0.000 0.000 0.267 361 T C 1.977 176.689 174.700 0.019 0.000 1.039 361 T CA 1.238 63.311 62.100 -0.046 0.000 1.142 361 T CB -0.168 68.630 68.868 -0.117 0.000 0.866 361 T HN 0.199 nan 8.240 nan 0.000 0.444 362 L N 0.276 121.491 121.223 -0.014 0.000 2.109 362 L HA 0.059 4.399 4.340 0.000 0.000 0.207 362 L C 2.810 179.710 176.870 0.049 0.000 1.086 362 L CA 1.019 55.893 54.840 0.056 0.000 0.760 362 L CB -0.455 41.636 42.059 0.053 0.000 0.910 362 L HN 0.106 nan 8.230 nan 0.000 0.437 363 R N 0.279 120.778 120.500 -0.002 0.000 2.081 363 R HA -0.177 4.163 4.340 0.000 0.000 0.235 363 R C 1.259 177.597 176.300 0.062 0.000 1.131 363 R CA 1.959 58.067 56.100 0.014 0.000 0.960 363 R CB -0.007 30.263 30.300 -0.051 0.000 0.856 363 R HN 0.312 nan 8.270 nan 0.000 0.436 364 D N -1.494 118.969 120.400 0.105 0.000 2.367 364 D HA 0.123 4.763 4.640 0.000 0.000 0.207 364 D C 0.585 176.990 176.300 0.176 0.000 1.034 364 D CA 0.947 55.056 54.000 0.181 0.000 0.861 364 D CB 0.640 41.644 40.800 0.341 0.000 0.943 364 D HN 0.456 nan 8.370 nan 0.000 0.515 365 G N 1.122 110.024 108.800 0.170 0.000 2.314 365 G HA2 -0.160 3.800 3.960 0.000 0.000 0.292 365 G HA3 -0.160 3.800 3.960 0.000 0.000 0.292 365 G C -0.080 174.932 174.900 0.187 0.000 1.059 365 G CA 0.596 45.791 45.100 0.158 0.000 0.982 365 G HN 0.433 nan 8.290 nan 0.000 0.505 366 V N 0.064 120.098 119.914 0.200 0.000 2.924 366 V HA 0.711 4.831 4.120 0.000 0.000 0.300 366 V C -0.680 175.345 176.094 -0.115 0.000 1.227 366 V CA -1.143 61.121 62.300 -0.061 0.000 0.954 366 V CB 1.854 33.468 31.823 -0.348 0.000 1.055 366 V HN 0.436 nan 8.190 nan 0.000 0.429 367 I N 7.805 128.198 120.570 -0.296 0.000 2.378 367 I HA 0.512 4.683 4.170 0.000 0.000 0.291 367 I C -2.410 173.375 176.117 -0.553 0.000 0.992 367 I CA -2.156 58.869 61.300 -0.458 0.000 1.154 367 I CB 2.296 39.983 38.000 -0.522 0.000 1.315 367 I HN 0.463 nan 8.210 nan 0.000 0.448 368 P HA 0.171 nan 4.420 nan 0.000 0.274 368 P C -2.534 174.470 177.300 -0.493 0.000 1.237 368 P CA -1.488 61.220 63.100 -0.654 0.000 0.793 368 P CB -0.210 31.096 31.700 -0.657 0.000 0.977 369 P HA -0.003 nan 4.420 nan 0.000 0.267 369 P C -0.491 176.886 177.300 0.128 0.000 1.205 369 P CA 0.384 63.461 63.100 -0.038 0.000 0.765 369 P CB -0.095 31.596 31.700 -0.016 0.000 0.828 370 T N 5.159 119.835 114.554 0.203 0.000 2.750 370 T HA 0.152 4.502 4.350 0.000 0.000 0.286 370 T C 0.848 175.660 174.700 0.186 0.000 0.911 370 T CA -0.145 62.106 62.100 0.252 0.000 1.130 370 T CB -0.462 68.505 68.868 0.165 0.000 0.873 370 T HN 0.202 nan 8.240 nan 0.000 0.536 371 L N 4.213 125.529 121.223 0.156 0.000 2.506 371 L HA 0.034 4.374 4.340 0.000 0.000 0.281 371 L C 1.006 177.955 176.870 0.132 0.000 1.228 371 L CA -0.190 54.722 54.840 0.119 0.000 0.850 371 L CB 0.009 42.120 42.059 0.087 0.000 1.110 371 L HN 0.745 nan 8.230 nan 0.000 0.496 372 N N 0.112 118.881 118.700 0.115 0.000 2.878 372 N HA -0.287 4.453 4.740 0.000 0.000 0.247 372 N C -0.506 175.088 175.510 0.140 0.000 1.021 372 N CA 0.907 54.017 53.050 0.100 0.000 0.873 372 N CB -1.537 36.994 38.487 0.073 0.000 1.128 372 N HN 0.620 nan 8.380 nan 0.000 0.571 373 Y N 1.932 122.265 120.300 0.056 0.000 2.595 373 Y HA 0.312 4.863 4.550 0.001 0.000 0.347 373 Y C 1.139 177.070 175.900 0.052 0.000 1.025 373 Y CA 0.109 58.249 58.100 0.067 0.000 1.295 373 Y CB 0.197 38.713 38.460 0.093 0.000 1.147 373 Y HN 0.062 nan 8.280 nan 0.000 0.515 374 E N 1.714 121.755 120.200 -0.264 0.000 2.536 374 E HA 0.156 4.506 4.350 0.000 0.000 0.220 374 E C -0.429 176.019 176.600 -0.253 0.000 0.876 374 E CA 0.148 56.431 56.400 -0.194 0.000 1.190 374 E CB 1.009 30.663 29.700 -0.077 0.000 1.191 374 E HN 0.355 nan 8.360 nan 0.000 0.557 375 T N 3.198 117.555 114.554 -0.328 0.000 3.009 375 T HA 0.286 4.636 4.350 0.000 0.000 0.346 375 T C -2.774 171.745 174.700 -0.301 0.000 1.092 375 T CA -1.459 60.496 62.100 -0.241 0.000 1.080 375 T CB 1.588 70.386 68.868 -0.117 0.000 1.037 375 T HN -0.173 nan 8.240 nan 0.000 0.487 376 P HA 0.095 nan 4.420 nan 0.000 0.265 376 P C -0.433 176.867 177.300 0.000 0.000 1.187 376 P CA -0.095 62.926 63.100 -0.131 0.000 0.766 376 P CB 0.500 32.189 31.700 -0.019 0.000 0.820 377 D N 3.690 124.150 120.400 0.100 0.000 2.233 377 D HA 0.185 4.825 4.640 0.000 0.000 0.240 377 D C -1.615 174.736 176.300 0.085 0.000 1.074 377 D CA -2.407 51.650 54.000 0.094 0.000 0.838 377 D CB 1.059 41.946 40.800 0.146 0.000 1.124 377 D HN 0.065 nan 8.370 nan 0.000 0.475 378 P HA -0.140 nan 4.420 nan 0.000 0.216 378 P C 0.884 178.212 177.300 0.047 0.000 1.153 378 P CA 1.112 64.239 63.100 0.043 0.000 0.858 378 P CB 0.432 32.151 31.700 0.031 0.000 0.789 379 E N -1.003 119.229 120.200 0.053 0.000 2.152 379 E HA -0.086 4.264 4.350 0.000 0.000 0.192 379 E C 2.015 178.652 176.600 0.062 0.000 0.983 379 E CA 0.762 57.192 56.400 0.051 0.000 0.818 379 E CB -0.638 29.092 29.700 0.050 0.000 0.758 379 E HN 0.228 nan 8.360 nan 0.000 0.467 380 I N 1.303 121.929 120.570 0.094 0.000 2.110 380 I HA -0.197 3.973 4.170 0.000 0.000 0.236 380 I C 0.629 176.759 176.117 0.021 0.000 1.068 380 I CA 0.925 62.284 61.300 0.097 0.000 1.333 380 I CB -1.174 36.938 38.000 0.187 0.000 1.054 380 I HN 0.118 nan 8.210 nan 0.000 0.402 381 D N 0.948 121.369 120.400 0.035 0.000 2.737 381 D HA -0.197 4.443 4.640 0.000 0.000 0.238 381 D C -0.595 175.682 176.300 -0.039 0.000 1.157 381 D CA 0.460 54.467 54.000 0.013 0.000 0.694 381 D CB -0.971 39.837 40.800 0.014 0.000 1.021 381 D HN 0.191 nan 8.370 nan 0.000 0.420 382 L N 0.144 121.314 121.223 -0.089 0.000 2.333 382 L HA 0.420 4.761 4.340 0.000 0.000 0.263 382 L C 0.518 177.307 176.870 -0.135 0.000 1.014 382 L CA -1.169 53.571 54.840 -0.166 0.000 0.820 382 L CB 1.561 43.399 42.059 -0.369 0.000 1.352 382 L HN -0.147 nan 8.230 nan 0.000 0.421 383 D N 1.492 121.823 120.400 -0.116 0.000 2.608 383 D HA 0.193 4.833 4.640 0.000 0.000 0.224 383 D C -0.619 175.597 176.300 -0.139 0.000 1.123 383 D CA -0.138 53.815 54.000 -0.078 0.000 1.030 383 D CB 0.156 40.940 40.800 -0.026 0.000 1.093 383 D HN 0.073 nan 8.370 nan 0.000 0.497 384 V N 3.225 122.984 119.914 -0.259 0.000 2.455 384 V HA 0.099 4.219 4.120 0.000 0.000 0.273 384 V C 0.662 176.612 176.094 -0.241 0.000 1.045 384 V CA -0.838 61.228 62.300 -0.390 0.000 0.976 384 V CB 1.327 32.614 31.823 -0.892 0.000 0.993 384 V HN 0.157 nan 8.190 nan 0.000 0.475 385 V N 5.204 125.061 119.914 -0.096 0.000 2.479 385 V HA 0.603 4.723 4.120 0.000 0.000 0.281 385 V C 0.595 176.700 176.094 0.019 0.000 1.031 385 V CA 0.365 62.651 62.300 -0.023 0.000 1.038 385 V CB 0.465 32.269 31.823 -0.032 0.000 0.981 385 V HN 1.075 nan 8.190 nan 0.000 0.478 386 A N 3.641 126.505 122.820 0.073 0.000 2.566 386 A HA 0.894 5.214 4.320 0.000 0.000 0.292 386 A C 0.854 178.494 177.584 0.093 0.000 1.112 386 A CA 0.119 52.238 52.037 0.136 0.000 0.707 386 A CB 1.560 20.755 19.000 0.324 0.000 1.302 386 A HN 1.731 nan 8.150 nan 0.000 0.409 387 G N -0.081 108.767 108.800 0.081 0.000 4.526 387 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 387 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 387 G C 0.239 175.152 174.900 0.022 0.000 1.428 387 G CA 1.075 46.206 45.100 0.052 0.000 0.928 387 G HN 1.121 nan 8.290 nan 0.000 0.639 388 E N 1.253 121.459 120.200 0.011 0.000 2.343 388 E HA 0.651 5.001 4.350 0.000 0.000 0.270 388 E C -2.568 173.995 176.600 -0.061 0.000 0.895 388 E CA -1.832 54.561 56.400 -0.011 0.000 0.767 388 E CB 2.383 32.095 29.700 0.020 0.000 1.248 388 E HN 0.237 nan 8.360 nan 0.000 0.440 389 P HA 0.034 nan 4.420 nan 0.000 0.269 389 P C -1.067 176.085 177.300 -0.247 0.000 1.211 389 P CA 0.175 63.113 63.100 -0.271 0.000 0.781 389 P CB 0.437 31.902 31.700 -0.391 0.000 0.877 390 R N 2.035 122.347 120.500 -0.313 0.000 2.439 390 R HA 0.366 4.706 4.340 0.000 0.000 0.310 390 R C -0.851 175.343 176.300 -0.177 0.000 0.955 390 R CA -0.599 55.414 56.100 -0.144 0.000 0.853 390 R CB 0.501 30.792 30.300 -0.015 0.000 1.171 390 R HN 0.427 nan 8.270 nan 0.000 0.449 391 Y N 1.284 121.602 120.300 0.031 0.000 2.335 391 Y HA 0.684 5.234 4.550 0.000 0.000 0.323 391 Y C 1.051 176.853 175.900 -0.164 0.000 1.224 391 Y CA 0.093 58.178 58.100 -0.025 0.000 1.241 391 Y CB 2.240 40.667 38.460 -0.055 0.000 1.235 391 Y HN 0.764 nan 8.280 nan 0.000 0.492 392 G N 0.663 109.270 108.800 -0.321 0.000 2.411 392 G HA2 0.180 4.140 3.960 0.000 0.000 0.295 392 G HA3 0.180 4.140 3.960 0.000 0.000 0.295 392 G C -2.055 172.314 174.900 -0.886 0.000 1.542 392 G CA -1.037 43.618 45.100 -0.742 0.000 0.814 392 G HN 0.430 nan 8.290 nan 0.000 0.557 393 D N 0.451 120.520 120.400 -0.551 0.000 2.608 393 D HA 0.324 4.964 4.640 0.000 0.000 0.224 393 D C -0.383 175.745 176.300 -0.287 0.000 1.123 393 D CA -0.177 53.630 54.000 -0.322 0.000 1.030 393 D CB -0.387 40.313 40.800 -0.167 0.000 1.093 393 D HN 0.211 nan 8.370 nan 0.000 0.497 394 Y N 1.911 122.195 120.300 -0.026 0.000 2.480 394 Y HA 0.209 4.759 4.550 0.000 0.000 0.341 394 Y C 1.811 177.666 175.900 -0.076 0.000 1.031 394 Y CA -0.364 57.718 58.100 -0.030 0.000 1.295 394 Y CB 0.716 39.153 38.460 -0.038 0.000 1.162 394 Y HN 0.152 nan 8.280 nan 0.000 0.523 395 R N 1.995 122.506 120.500 0.018 0.000 2.087 395 R HA 0.117 4.457 4.340 0.000 0.000 0.213 395 R C -0.765 175.238 176.300 -0.495 0.000 1.137 395 R CA 0.771 56.679 56.100 -0.320 0.000 1.022 395 R CB 0.314 30.366 30.300 -0.414 0.000 0.920 395 R HN 0.549 nan 8.270 nan 0.000 0.451 396 Y N -0.987 119.399 120.300 0.144 0.000 2.477 396 Y HA 0.621 5.172 4.550 0.000 0.000 0.347 396 Y C -0.310 175.669 175.900 0.132 0.000 0.981 396 Y CA -1.056 57.118 58.100 0.123 0.000 1.033 396 Y CB 2.190 40.699 38.460 0.082 0.000 1.245 396 Y HN 0.059 nan 8.280 nan 0.000 0.455 397 A N 1.274 124.265 122.820 0.284 0.000 2.566 397 A HA 0.917 5.238 4.320 0.000 0.000 0.292 397 A C -1.919 175.740 177.584 0.125 0.000 1.112 397 A CA -0.813 51.330 52.037 0.177 0.000 0.707 397 A CB 1.463 20.586 19.000 0.206 0.000 1.302 397 A HN 0.463 nan 8.150 nan 0.000 0.409 398 V N 1.295 121.220 119.914 0.019 0.000 2.604 398 V HA 0.452 4.572 4.120 0.000 0.000 0.305 398 V C -0.495 175.582 176.094 -0.029 0.000 1.043 398 V CA -0.730 61.572 62.300 0.003 0.000 0.888 398 V CB 1.904 33.708 31.823 -0.032 0.000 0.995 398 V HN 0.904 nan 8.190 nan 0.000 0.429 399 N N 3.552 122.269 118.700 0.028 0.000 2.425 399 N HA 0.359 5.099 4.740 0.000 0.000 0.268 399 N C -0.656 174.798 175.510 -0.092 0.000 0.991 399 N CA -0.295 52.745 53.050 -0.017 0.000 0.931 399 N CB 0.845 39.376 38.487 0.073 0.000 1.130 399 N HN 0.632 nan 8.380 nan 0.000 0.493 400 N N 1.305 119.914 118.700 -0.151 0.000 2.473 400 N HA 0.434 5.175 4.740 0.000 0.000 0.291 400 N C -1.355 173.872 175.510 -0.472 0.000 1.083 400 N CA -0.147 52.709 53.050 -0.325 0.000 0.951 400 N CB 1.453 39.798 38.487 -0.237 0.000 1.164 400 N HN 0.373 nan 8.380 nan 0.000 0.480 401 S N 1.210 116.418 115.700 -0.821 0.000 2.614 401 S HA 0.601 5.071 4.470 0.000 0.000 0.275 401 S C -1.612 172.374 174.600 -1.024 0.000 1.161 401 S CA -0.544 57.224 58.200 -0.720 0.000 0.969 401 S CB 0.387 63.429 63.200 -0.263 0.000 1.059 401 S HN 0.300 nan 8.310 nan 0.000 0.482 402 F N 1.065 120.627 119.950 -0.646 0.000 2.540 402 F HA 0.772 5.299 4.527 0.001 0.000 0.317 402 F C 0.701 176.317 175.800 -0.308 0.000 1.104 402 F CA -0.860 56.884 58.000 -0.425 0.000 0.913 402 F CB 1.983 40.747 39.000 -0.394 0.000 1.170 402 F HN 0.611 nan 8.300 nan 0.000 0.450 403 G N 1.655 110.544 108.800 0.147 0.000 2.542 403 G HA2 0.564 4.524 3.960 0.000 0.000 0.311 403 G HA3 0.564 4.524 3.960 0.000 0.000 0.311 403 G C -1.257 173.800 174.900 0.262 0.000 1.298 403 G CA -0.633 44.573 45.100 0.176 0.000 0.973 403 G HN 0.257 nan 8.290 nan 0.000 0.487 404 F N 0.886 120.921 119.950 0.142 0.000 2.635 404 F HA 0.309 4.836 4.527 0.001 0.000 0.379 404 F C 1.678 177.484 175.800 0.009 0.000 1.094 404 F CA 1.347 59.401 58.000 0.090 0.000 1.300 404 F CB 0.873 39.941 39.000 0.113 0.000 1.035 404 F HN 0.997 nan 8.300 nan 0.000 0.581 405 G N 0.961 109.799 108.800 0.064 0.000 2.218 405 G HA2 0.080 4.041 3.960 0.000 0.000 0.216 405 G HA3 0.080 4.041 3.960 0.000 0.000 0.216 405 G C 0.830 175.461 174.900 -0.448 0.000 0.994 405 G CA 0.201 45.170 45.100 -0.217 0.000 0.637 405 G HN 1.927 nan 8.290 nan 0.000 0.505 406 G N -0.302 108.332 108.800 -0.277 0.000 2.140 406 G HA2 -0.140 3.820 3.960 0.000 0.000 0.211 406 G HA3 -0.140 3.820 3.960 0.000 0.000 0.211 406 G C -0.064 174.747 174.900 -0.149 0.000 1.013 406 G CA 0.498 45.510 45.100 -0.147 0.000 0.705 406 G HN 1.332 nan 8.290 nan 0.000 0.508 407 H N 0.654 119.807 119.070 0.139 0.000 2.527 407 H HA 0.436 4.992 4.556 0.001 0.000 0.321 407 H C -0.069 175.363 175.328 0.173 0.000 1.087 407 H CA -0.368 55.754 56.048 0.124 0.000 1.337 407 H CB 0.894 30.716 29.762 0.099 0.000 1.440 407 H HN 0.244 nan 8.280 nan 0.000 0.490 408 N N 2.813 121.680 118.700 0.279 0.000 2.442 408 N HA 0.236 4.976 4.740 0.000 0.000 0.274 408 N C -0.789 174.798 175.510 0.128 0.000 1.002 408 N CA -0.468 52.765 53.050 0.305 0.000 0.910 408 N CB 2.585 41.251 38.487 0.299 0.000 1.244 408 N HN 0.204 nan 8.380 nan 0.000 0.492 409 V N 0.612 120.521 119.914 -0.009 0.000 2.487 409 V HA 0.834 4.954 4.120 0.000 0.000 0.298 409 V C -0.229 175.774 176.094 -0.151 0.000 1.028 409 V CA -0.965 61.290 62.300 -0.076 0.000 0.860 409 V CB 1.533 33.307 31.823 -0.081 0.000 0.991 409 V HN 0.744 nan 8.190 nan 0.000 0.427 410 A N 5.878 128.627 122.820 -0.118 0.000 2.330 410 A HA 0.885 5.205 4.320 0.000 0.000 0.313 410 A C -0.982 176.498 177.584 -0.174 0.000 1.124 410 A CA -0.497 51.461 52.037 -0.131 0.000 0.774 410 A CB 0.927 19.878 19.000 -0.081 0.000 1.198 410 A HN 0.813 nan 8.150 nan 0.000 0.465 411 L N 2.541 123.666 121.223 -0.163 0.000 2.280 411 L HA 0.610 4.950 4.340 0.000 0.000 0.287 411 L C 0.569 177.283 176.870 -0.261 0.000 1.023 411 L CA -0.540 54.132 54.840 -0.279 0.000 0.819 411 L CB 1.772 43.716 42.059 -0.193 0.000 1.212 411 L HN 0.779 nan 8.230 nan 0.000 0.420 412 A N 4.319 126.902 122.820 -0.394 0.000 2.310 412 A HA 0.652 4.972 4.320 0.000 0.000 0.300 412 A C -0.779 176.594 177.584 -0.350 0.000 1.269 412 A CA -0.090 51.792 52.037 -0.259 0.000 0.909 412 A CB -0.174 18.687 19.000 -0.232 0.000 1.144 412 A HN 0.510 nan 8.150 nan 0.000 0.540 413 F N 1.315 121.249 119.950 -0.026 0.000 2.483 413 F HA 0.712 5.239 4.527 0.000 0.000 0.329 413 F C 0.948 176.831 175.800 0.138 0.000 1.064 413 F CA -0.002 58.013 58.000 0.026 0.000 0.986 413 F CB 2.488 41.492 39.000 0.008 0.000 1.218 413 F HN 0.672 nan 8.300 nan 0.000 0.484 414 G N 0.775 109.794 108.800 0.365 0.000 2.659 414 G HA2 0.491 4.451 3.960 0.000 0.000 0.296 414 G HA3 0.491 4.451 3.960 0.000 0.000 0.296 414 G C -1.796 173.198 174.900 0.157 0.000 1.369 414 G CA -1.077 44.194 45.100 0.285 0.000 0.937 414 G HN 0.625 nan 8.290 nan 0.000 0.485 415 R N 0.467 120.967 120.500 0.000 0.000 2.491 415 R HA 0.262 4.602 4.340 0.000 0.000 0.283 415 R C -0.269 176.076 176.300 0.075 0.000 1.072 415 R CA -0.464 55.653 56.100 0.028 0.000 1.048 415 R CB 0.319 30.592 30.300 -0.045 0.000 0.983 415 R HN 0.611 nan 8.270 nan 0.000 0.450 416 Y N 0.000 120.309 120.300 0.015 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 416 Y CA 0.000 58.116 58.100 0.026 0.000 1.940 416 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758