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 1g8l_1_B DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.865 176.870 -0.008 0.000 1.165 7 L CA 0.000 54.852 54.840 0.019 0.000 0.813 7 L CB 0.000 42.078 42.059 0.031 0.000 0.961 8 M N 2.335 121.922 119.600 -0.020 0.000 2.217 8 M HA 0.241 4.723 4.480 0.003 0.000 0.352 8 M C 0.556 176.800 176.300 -0.093 0.000 1.376 8 M CA 0.051 55.295 55.300 -0.092 0.000 1.107 8 M CB 0.987 33.480 32.600 -0.179 0.000 1.723 8 M HN 0.342 nan 8.290 nan 0.000 0.461 9 S N 5.099 120.736 115.700 -0.105 0.000 2.579 9 S HA 0.075 4.546 4.470 0.003 0.000 0.275 9 S C 1.047 175.579 174.600 -0.113 0.000 1.345 9 S CA -0.791 57.359 58.200 -0.084 0.000 1.031 9 S CB 0.872 64.025 63.200 -0.078 0.000 0.892 9 S HN 0.969 nan 8.310 nan 0.000 0.529 10 L N 1.150 122.334 121.223 -0.064 0.000 2.017 10 L HA -0.130 4.211 4.340 0.003 0.000 0.208 10 L C 2.453 179.258 176.870 -0.108 0.000 1.073 10 L CA 2.657 57.455 54.840 -0.071 0.000 0.745 10 L CB -0.932 41.140 42.059 0.020 0.000 0.894 10 L HN 1.066 nan 8.230 nan 0.000 0.432 11 D N -1.215 119.135 120.400 -0.083 0.000 2.123 11 D HA -0.227 4.414 4.640 0.003 0.000 0.196 11 D C 1.778 178.000 176.300 -0.130 0.000 0.992 11 D CA 2.106 56.053 54.000 -0.090 0.000 0.833 11 D CB 0.107 40.867 40.800 -0.065 0.000 0.954 11 D HN 0.173 nan 8.370 nan 0.000 0.455 12 T N -0.695 113.765 114.554 -0.157 0.000 2.777 12 T HA -0.001 4.351 4.350 0.003 0.000 0.266 12 T C 1.950 176.466 174.700 -0.306 0.000 1.040 12 T CA 1.319 63.299 62.100 -0.200 0.000 1.141 12 T CB -0.490 68.256 68.868 -0.203 0.000 0.868 12 T HN 0.348 nan 8.240 nan 0.000 0.444 13 A N 1.163 123.746 122.820 -0.396 0.000 1.877 13 A HA 0.042 4.364 4.320 0.003 0.000 0.216 13 A C 2.301 179.695 177.584 -0.317 0.000 1.186 13 A CA 1.075 52.753 52.037 -0.599 0.000 0.620 13 A CB -0.930 17.765 19.000 -0.508 0.000 0.822 13 A HN 0.446 nan 8.150 nan 0.000 0.443 14 L N -0.402 120.683 121.223 -0.230 0.000 1.989 14 L HA -0.283 4.059 4.340 0.003 0.000 0.211 14 L C 2.329 179.094 176.870 -0.176 0.000 1.071 14 L CA 2.192 56.913 54.840 -0.198 0.000 0.749 14 L CB -0.547 41.414 42.059 -0.163 0.000 0.890 14 L HN 0.530 nan 8.230 nan 0.000 0.431 15 N N -0.926 117.684 118.700 -0.149 0.000 2.289 15 N HA -0.232 4.510 4.740 0.003 0.000 0.184 15 N C 1.655 177.109 175.510 -0.094 0.000 1.016 15 N CA 1.016 53.999 53.050 -0.112 0.000 0.872 15 N CB 0.048 38.479 38.487 -0.093 0.000 0.973 15 N HN 0.333 nan 8.380 nan 0.000 0.433 16 E N 0.513 120.650 120.200 -0.105 0.000 2.028 16 E HA -0.093 4.259 4.350 0.003 0.000 0.190 16 E C 1.854 178.462 176.600 0.013 0.000 0.984 16 E CA 0.909 57.300 56.400 -0.014 0.000 0.800 16 E CB 0.142 29.842 29.700 -0.000 0.000 0.758 16 E HN 0.256 nan 8.360 nan 0.000 0.448 17 M N 0.264 119.806 119.600 -0.097 0.000 2.180 17 M HA -0.261 4.221 4.480 0.003 0.000 0.260 17 M C 2.370 178.512 176.300 -0.264 0.000 1.071 17 M CA 1.662 56.730 55.300 -0.386 0.000 1.096 17 M CB -0.568 31.592 32.600 -0.733 0.000 1.276 17 M HN 0.184 nan 8.290 nan 0.000 0.426 18 L N 0.025 121.109 121.223 -0.232 0.000 2.013 18 L HA -0.268 4.073 4.340 0.003 0.000 0.212 18 L C 2.846 179.650 176.870 -0.111 0.000 1.073 18 L CA 1.844 56.576 54.840 -0.179 0.000 0.753 18 L CB -1.104 40.869 42.059 -0.144 0.000 0.890 18 L HN 0.526 nan 8.230 nan 0.000 0.432 19 S N -0.018 115.642 115.700 -0.066 0.000 2.402 19 S HA -0.225 4.247 4.470 0.003 0.000 0.233 19 S C 2.017 176.631 174.600 0.023 0.000 1.030 19 S CA 1.053 59.245 58.200 -0.014 0.000 1.003 19 S CB -0.407 62.797 63.200 0.006 0.000 0.813 19 S HN 0.410 nan 8.310 nan 0.000 0.477 20 R N 0.545 121.059 120.500 0.022 0.000 2.153 20 R HA 0.215 4.557 4.340 0.003 0.000 0.218 20 R C 0.359 176.738 176.300 0.132 0.000 1.072 20 R CA 0.397 56.568 56.100 0.119 0.000 0.990 20 R CB -0.531 29.883 30.300 0.191 0.000 0.889 20 R HN 0.341 nan 8.270 nan 0.000 0.452 21 V N 1.974 121.840 119.914 -0.080 0.000 2.686 21 V HA 0.057 4.179 4.120 0.003 0.000 0.295 21 V C 0.371 176.524 176.094 0.098 0.000 1.055 21 V CA 0.434 62.717 62.300 -0.029 0.000 1.050 21 V CB 1.624 33.288 31.823 -0.265 0.000 0.984 21 V HN 0.111 nan 8.190 nan 0.000 0.482 22 T N 6.959 121.631 114.554 0.197 0.000 2.786 22 T HA 0.409 4.761 4.350 0.003 0.000 0.283 22 T C -2.503 172.268 174.700 0.117 0.000 0.992 22 T CA -0.986 61.198 62.100 0.140 0.000 0.954 22 T CB 1.565 70.528 68.868 0.158 0.000 0.934 22 T HN 0.468 nan 8.240 nan 0.000 0.440 23 P HA 0.135 nan 4.420 nan 0.000 0.266 23 P C -0.268 177.067 177.300 0.058 0.000 1.195 23 P CA -0.695 62.436 63.100 0.052 0.000 0.768 23 P CB 0.393 32.109 31.700 0.027 0.000 0.838 24 L N 2.478 123.734 121.223 0.055 0.000 2.483 24 L HA 0.078 4.419 4.340 0.003 0.000 0.275 24 L C 1.670 178.561 176.870 0.034 0.000 1.220 24 L CA 1.310 56.179 54.840 0.049 0.000 0.833 24 L CB -0.323 41.762 42.059 0.044 0.000 1.102 24 L HN 0.597 nan 8.230 nan 0.000 0.490 25 T N -1.793 112.780 114.554 0.031 0.000 2.954 25 T HA 0.382 4.733 4.350 0.003 0.000 0.252 25 T C 0.639 175.351 174.700 0.019 0.000 0.983 25 T CA 0.265 62.379 62.100 0.023 0.000 0.941 25 T CB -0.026 68.856 68.868 0.023 0.000 1.141 25 T HN 0.592 nan 8.240 nan 0.000 0.500 26 A N 2.504 125.336 122.820 0.020 0.000 2.565 26 A HA 0.482 4.803 4.320 0.003 0.000 0.237 26 A C 0.318 177.911 177.584 0.015 0.000 1.053 26 A CA -0.170 51.877 52.037 0.017 0.000 0.755 26 A CB -0.150 18.861 19.000 0.018 0.000 0.980 26 A HN 0.779 nan 8.150 nan 0.000 0.506 27 Q N 1.090 120.898 119.800 0.013 0.000 2.484 27 Q HA 0.765 5.107 4.340 0.003 0.000 0.285 27 Q C -1.046 174.961 176.000 0.011 0.000 1.097 27 Q CA -0.954 54.856 55.803 0.011 0.000 0.802 27 Q CB 1.752 30.497 28.738 0.010 0.000 1.444 27 Q HN 0.792 nan 8.270 nan 0.000 0.429 28 E N 0.045 120.251 120.200 0.010 0.000 2.366 28 E HA 0.479 4.831 4.350 0.003 0.000 0.278 28 E C -1.322 175.283 176.600 0.010 0.000 0.923 28 E CA -0.997 55.409 56.400 0.010 0.000 0.761 28 E CB 2.116 31.823 29.700 0.011 0.000 1.231 28 E HN 0.487 nan 8.360 nan 0.000 0.443 29 T N 2.961 117.522 114.554 0.010 0.000 2.749 29 T HA 0.487 4.839 4.350 0.003 0.000 0.287 29 T C -0.308 174.399 174.700 0.012 0.000 0.970 29 T CA -0.441 61.665 62.100 0.011 0.000 0.980 29 T CB 0.157 69.032 68.868 0.011 0.000 0.924 29 T HN 0.299 nan 8.240 nan 0.000 0.456 30 L N 4.532 125.762 121.223 0.012 0.000 2.354 30 L HA 0.559 4.901 4.340 0.003 0.000 0.264 30 L C -2.522 174.357 176.870 0.015 0.000 1.008 30 L CA -3.019 51.829 54.840 0.014 0.000 0.819 30 L CB 1.969 44.037 42.059 0.015 0.000 1.339 30 L HN 0.310 nan 8.230 nan 0.000 0.420 31 P HA 0.113 nan 4.420 nan 0.000 0.269 31 P C 0.829 178.142 177.300 0.022 0.000 1.209 31 P CA -0.208 62.904 63.100 0.019 0.000 0.776 31 P CB 0.588 32.299 31.700 0.019 0.000 0.876 32 L N 2.454 123.690 121.223 0.023 0.000 2.043 32 L HA -0.192 4.149 4.340 0.003 0.000 0.212 32 L C 2.340 179.232 176.870 0.036 0.000 1.075 32 L CA 1.400 56.254 54.840 0.024 0.000 0.752 32 L CB -0.955 41.120 42.059 0.025 0.000 0.891 32 L HN 0.251 nan 8.230 nan 0.000 0.432 33 V N -0.213 119.724 119.914 0.038 0.000 2.828 33 V HA -0.270 3.851 4.120 0.003 0.000 0.260 33 V C 1.933 178.059 176.094 0.055 0.000 1.101 33 V CA 1.763 64.091 62.300 0.046 0.000 1.123 33 V CB -0.276 31.566 31.823 0.032 0.000 0.704 33 V HN 0.566 nan 8.190 nan 0.000 0.493 34 Q N -2.220 117.608 119.800 0.047 0.000 2.247 34 Q HA 0.138 4.479 4.340 0.003 0.000 0.204 34 Q C 1.437 177.470 176.000 0.056 0.000 0.872 34 Q CA 0.200 56.032 55.803 0.049 0.000 0.951 34 Q CB 0.374 29.132 28.738 0.032 0.000 1.099 34 Q HN 0.651 nan 8.270 nan 0.000 0.501 35 C N 0.425 119.759 119.300 0.057 0.000 2.855 35 C HA 0.232 4.693 4.460 0.003 0.000 0.279 35 C C 0.551 175.553 174.990 0.019 0.000 1.270 35 C CA -0.827 58.206 59.018 0.024 0.000 1.702 35 C CB -1.298 26.434 27.740 -0.013 0.000 1.949 35 C HN 0.418 nan 8.230 nan 0.000 0.618 36 F N 1.489 121.422 119.950 -0.028 0.000 2.602 36 F HA 0.401 4.930 4.527 0.003 0.000 0.385 36 F C 1.446 177.227 175.800 -0.031 0.000 1.063 36 F CA 1.970 59.950 58.000 -0.032 0.000 1.233 36 F CB 0.437 39.422 39.000 -0.025 0.000 1.067 36 F HN 0.469 nan 8.300 nan 0.000 0.564 37 G N 4.001 112.482 108.800 -0.532 0.000 2.168 37 G HA2 -0.282 3.679 3.960 0.003 0.000 0.263 37 G HA3 -0.282 3.679 3.960 0.003 0.000 0.263 37 G C 0.469 175.291 174.900 -0.130 0.000 0.977 37 G CA -0.103 44.844 45.100 -0.255 0.000 0.659 37 G HN 0.606 nan 8.290 nan 0.000 0.533 38 R N -0.087 120.339 120.500 -0.122 0.000 2.500 38 R HA 0.525 4.866 4.340 0.003 0.000 0.275 38 R C 0.549 176.792 176.300 -0.094 0.000 1.051 38 R CA -0.762 55.294 56.100 -0.073 0.000 1.088 38 R CB 0.645 30.922 30.300 -0.039 0.000 1.063 38 R HN 0.185 nan 8.270 nan 0.000 0.511 39 I N 3.311 123.845 120.570 -0.060 0.000 2.304 39 I HA 0.198 4.369 4.170 0.003 0.000 0.291 39 I C 0.870 176.963 176.117 -0.040 0.000 1.018 39 I CA -0.721 60.546 61.300 -0.056 0.000 1.260 39 I CB 0.430 38.408 38.000 -0.037 0.000 1.390 39 I HN 0.344 nan 8.210 nan 0.000 0.475 40 L N 5.109 126.305 121.223 -0.044 0.000 2.559 40 L HA -0.030 4.312 4.340 0.003 0.000 0.274 40 L C 1.490 178.357 176.870 -0.004 0.000 1.205 40 L CA 0.060 54.889 54.840 -0.019 0.000 0.907 40 L CB 1.025 43.081 42.059 -0.005 0.000 1.153 40 L HN 0.805 nan 8.230 nan 0.000 0.490 41 A N 2.895 125.717 122.820 0.003 0.000 2.021 41 A HA 0.110 4.432 4.320 0.003 0.000 0.216 41 A C 0.837 178.428 177.584 0.013 0.000 1.163 41 A CA 0.548 52.589 52.037 0.007 0.000 0.676 41 A CB 0.134 19.139 19.000 0.008 0.000 0.818 41 A HN 0.653 nan 8.150 nan 0.000 0.453 42 S N -0.045 115.665 115.700 0.017 0.000 2.595 42 S HA 0.434 4.906 4.470 0.003 0.000 0.281 42 S C -1.602 173.017 174.600 0.032 0.000 1.117 42 S CA -0.918 57.294 58.200 0.021 0.000 0.873 42 S CB 1.290 64.500 63.200 0.018 0.000 1.108 42 S HN 0.302 nan 8.310 nan 0.000 0.477 43 D N 1.391 121.810 120.400 0.031 0.000 2.472 43 D HA 0.177 4.818 4.640 0.003 0.000 0.237 43 D C -0.417 175.911 176.300 0.046 0.000 1.141 43 D CA 0.222 54.246 54.000 0.041 0.000 0.875 43 D CB 0.544 41.357 40.800 0.022 0.000 1.192 43 D HN 0.135 nan 8.370 nan 0.000 0.450 44 V N 3.307 123.265 119.914 0.072 0.000 2.334 44 V HA 0.135 4.256 4.120 0.003 0.000 0.267 44 V C 0.162 176.264 176.094 0.013 0.000 1.040 44 V CA -0.564 61.778 62.300 0.071 0.000 0.866 44 V CB 1.278 33.202 31.823 0.168 0.000 1.019 44 V HN 0.215 nan 8.190 nan 0.000 0.468 45 V N 4.227 124.142 119.914 0.002 0.000 2.439 45 V HA 0.301 4.423 4.120 0.003 0.000 0.282 45 V C 0.685 176.763 176.094 -0.027 0.000 1.039 45 V CA -0.326 61.961 62.300 -0.022 0.000 0.913 45 V CB 1.805 33.620 31.823 -0.014 0.000 0.983 45 V HN 0.820 nan 8.190 nan 0.000 0.460 46 S N 6.705 122.377 115.700 -0.048 0.000 2.481 46 S HA 0.170 4.642 4.470 0.003 0.000 0.282 46 S C -1.043 173.536 174.600 -0.034 0.000 1.243 46 S CA -0.872 57.300 58.200 -0.047 0.000 1.078 46 S CB 0.639 63.799 63.200 -0.066 0.000 0.916 46 S HN 0.718 nan 8.310 nan 0.000 0.495 47 P HA 0.154 nan 4.420 nan 0.000 0.249 47 P C -0.382 176.898 177.300 -0.033 0.000 1.229 47 P CA 0.239 63.325 63.100 -0.023 0.000 0.788 47 P CB -0.202 31.490 31.700 -0.013 0.000 1.072 48 L N -4.267 116.930 121.223 -0.043 0.000 2.510 48 L HA 0.686 5.027 4.340 0.003 0.000 0.252 48 L C -0.832 175.998 176.870 -0.067 0.000 1.091 48 L CA -1.158 53.646 54.840 -0.059 0.000 0.888 48 L CB 0.376 42.396 42.059 -0.066 0.000 1.507 48 L HN -0.428 nan 8.230 nan 0.000 0.407 49 D N 0.384 120.731 120.400 -0.088 0.000 2.193 49 D HA 0.631 5.272 4.640 0.003 0.000 0.249 49 D C -1.040 175.210 176.300 -0.084 0.000 1.034 49 D CA -0.115 53.835 54.000 -0.084 0.000 0.902 49 D CB 2.710 43.455 40.800 -0.092 0.000 1.182 49 D HN 0.346 nan 8.370 nan 0.000 0.436 50 V N 3.927 123.804 119.914 -0.062 0.000 2.447 50 V HA 0.261 4.383 4.120 0.003 0.000 0.292 50 V C -2.200 173.874 176.094 -0.033 0.000 1.021 50 V CA -1.445 60.827 62.300 -0.047 0.000 0.850 50 V CB 2.070 33.870 31.823 -0.038 0.000 1.005 50 V HN 0.394 nan 8.190 nan 0.000 0.426 51 P HA 0.218 nan 4.420 nan 0.000 0.275 51 P C 0.780 178.034 177.300 -0.077 0.000 1.266 51 P CA 0.106 63.191 63.100 -0.025 0.000 0.793 51 P CB 1.366 33.073 31.700 0.011 0.000 1.074 52 G N -0.254 108.468 108.800 -0.130 0.000 2.456 52 G HA2 0.036 3.998 3.960 0.003 0.000 0.213 52 G HA3 0.036 3.998 3.960 0.003 0.000 0.213 52 G C -0.038 174.606 174.900 -0.426 0.000 1.215 52 G CA 0.309 45.195 45.100 -0.357 0.000 0.805 52 G HN 0.423 nan 8.290 nan 0.000 0.537 53 F N 0.960 120.921 119.950 0.019 0.000 2.458 53 F HA 0.379 4.907 4.527 0.003 0.000 0.330 53 F C -0.304 175.505 175.800 0.015 0.000 1.082 53 F CA -1.245 56.768 58.000 0.021 0.000 0.995 53 F CB 1.256 40.272 39.000 0.026 0.000 1.170 53 F HN -0.109 nan 8.300 nan 0.000 0.478 54 D N 2.772 123.293 120.400 0.202 0.000 2.472 54 D HA 0.014 4.656 4.640 0.003 0.000 0.248 54 D C -0.187 176.179 176.300 0.111 0.000 1.174 54 D CA 0.459 54.529 54.000 0.117 0.000 0.883 54 D CB 0.148 41.005 40.800 0.095 0.000 1.149 54 D HN 0.566 nan 8.370 nan 0.000 0.488 55 N N -0.202 118.543 118.700 0.077 0.000 2.545 55 N HA 0.230 4.972 4.740 0.003 0.000 0.289 55 N C -0.686 174.836 175.510 0.019 0.000 1.279 55 N CA -0.743 52.337 53.050 0.050 0.000 0.824 55 N CB 1.358 39.882 38.487 0.061 0.000 1.395 55 N HN 0.137 nan 8.380 nan 0.000 0.526 56 S N -1.130 114.565 115.700 -0.008 0.000 2.548 56 S HA 0.405 4.877 4.470 0.003 0.000 0.277 56 S C 1.008 175.601 174.600 -0.012 0.000 1.315 56 S CA -0.152 58.035 58.200 -0.022 0.000 1.050 56 S CB 0.359 63.522 63.200 -0.062 0.000 0.918 56 S HN 0.696 nan 8.310 nan 0.000 0.497 57 A N 4.999 127.815 122.820 -0.007 0.000 2.072 57 A HA 0.361 4.682 4.320 0.003 0.000 0.216 57 A C 0.728 178.304 177.584 -0.012 0.000 1.156 57 A CA 0.630 52.665 52.037 -0.003 0.000 0.701 57 A CB -0.180 18.823 19.000 0.005 0.000 0.816 57 A HN 0.800 nan 8.150 nan 0.000 0.458 58 M N -1.903 117.681 119.600 -0.026 0.000 3.079 58 M HA 0.345 4.826 4.480 0.003 0.000 0.277 58 M C -1.815 174.441 176.300 -0.073 0.000 1.317 58 M CA -0.795 54.481 55.300 -0.038 0.000 0.793 58 M CB 1.448 34.030 32.600 -0.030 0.000 1.690 58 M HN -0.133 nan 8.290 nan 0.000 0.451 59 D N 0.829 121.176 120.400 -0.088 0.000 2.317 59 D HA 0.647 5.289 4.640 0.003 0.000 0.234 59 D C -0.067 176.116 176.300 -0.195 0.000 1.112 59 D CA 0.505 54.418 54.000 -0.145 0.000 0.840 59 D CB 1.234 41.964 40.800 -0.118 0.000 1.078 59 D HN 0.727 nan 8.370 nan 0.000 0.486 60 G N 1.193 109.810 108.800 -0.305 0.000 2.818 60 G HA2 0.248 4.209 3.960 0.003 0.000 0.109 60 G HA3 0.248 4.209 3.960 0.003 0.000 0.109 60 G C -1.662 172.839 174.900 -0.665 0.000 1.206 60 G CA -0.504 44.360 45.100 -0.393 0.000 1.243 60 G HN 0.304 nan 8.290 nan 0.000 0.609 61 Y N 0.651 120.926 120.300 -0.042 0.000 2.386 61 Y HA 0.694 5.246 4.550 0.003 0.000 0.334 61 Y C 0.371 176.300 175.900 0.048 0.000 1.002 61 Y CA -0.499 57.603 58.100 0.003 0.000 1.068 61 Y CB 2.358 40.905 38.460 0.145 0.000 1.203 61 Y HN 0.715 nan 8.280 nan 0.000 0.443 62 A N 3.342 126.185 122.820 0.038 0.000 2.354 62 A HA 0.690 5.012 4.320 0.003 0.000 0.281 62 A C -0.114 177.545 177.584 0.125 0.000 1.174 62 A CA -0.270 51.760 52.037 -0.011 0.000 0.828 62 A CB -0.231 18.622 19.000 -0.245 0.000 1.099 62 A HN 0.808 nan 8.150 nan 0.000 0.516 63 V N 0.811 120.884 119.914 0.265 0.000 3.156 63 V HA 0.808 4.929 4.120 0.003 0.000 0.311 63 V C -0.330 175.955 176.094 0.317 0.000 1.208 63 V CA -1.352 61.149 62.300 0.334 0.000 1.063 63 V CB 1.589 33.415 31.823 0.006 0.000 1.098 63 V HN 0.893 nan 8.190 nan 0.000 0.452 64 R N -0.113 120.457 120.500 0.118 0.000 2.778 64 R HA 0.637 4.979 4.340 0.003 0.000 0.277 64 R C 0.599 176.860 176.300 -0.065 0.000 0.977 64 R CA -0.788 55.299 56.100 -0.022 0.000 0.950 64 R CB 1.991 32.171 30.300 -0.200 0.000 1.165 64 R HN 0.716 nan 8.270 nan 0.000 0.474 65 L N 1.133 122.324 121.223 -0.053 0.000 2.275 65 L HA -0.094 4.247 4.340 0.003 0.000 0.215 65 L C 2.140 178.963 176.870 -0.078 0.000 1.119 65 L CA 1.316 56.122 54.840 -0.057 0.000 0.790 65 L CB -0.324 41.715 42.059 -0.033 0.000 0.919 65 L HN 0.805 nan 8.230 nan 0.000 0.443 66 A N -0.201 122.562 122.820 -0.094 0.000 1.903 66 A HA -0.133 4.188 4.320 0.003 0.000 0.213 66 A C 1.867 179.384 177.584 -0.112 0.000 1.185 66 A CA 1.270 53.249 52.037 -0.097 0.000 0.628 66 A CB -0.278 18.659 19.000 -0.105 0.000 0.830 66 A HN 0.281 nan 8.150 nan 0.000 0.446 67 D N 0.228 120.545 120.400 -0.138 0.000 2.178 67 D HA -0.100 4.542 4.640 0.003 0.000 0.202 67 D C 1.704 177.903 176.300 -0.169 0.000 0.974 67 D CA 0.762 54.675 54.000 -0.144 0.000 0.841 67 D CB -0.181 40.532 40.800 -0.145 0.000 0.953 67 D HN 0.322 nan 8.370 nan 0.000 0.478 68 I N 1.008 121.460 120.570 -0.197 0.000 2.500 68 I HA -0.086 4.086 4.170 0.003 0.000 0.252 68 I C 2.374 178.413 176.117 -0.130 0.000 1.142 68 I CA 0.358 61.517 61.300 -0.235 0.000 1.451 68 I CB -1.068 36.789 38.000 -0.238 0.000 1.093 68 I HN -0.128 nan 8.210 nan 0.000 0.430 69 A N 1.463 124.224 122.820 -0.098 0.000 1.873 69 A HA -0.283 4.039 4.320 0.003 0.000 0.218 69 A C 2.509 180.059 177.584 -0.055 0.000 1.193 69 A CA 2.707 54.706 52.037 -0.065 0.000 0.629 69 A CB -1.121 17.844 19.000 -0.058 0.000 0.826 69 A HN 0.542 nan 8.150 nan 0.000 0.447 70 S N -0.817 114.846 115.700 -0.063 0.000 2.461 70 S HA 0.072 4.544 4.470 0.003 0.000 0.246 70 S C 1.738 176.315 174.600 -0.038 0.000 1.007 70 S CA 1.596 59.767 58.200 -0.048 0.000 0.976 70 S CB -1.307 61.861 63.200 -0.053 0.000 0.763 70 S HN 2.169 nan 8.310 nan 0.000 0.508 71 G N 0.728 109.503 108.800 -0.043 0.000 2.200 71 G HA2 -0.362 3.600 3.960 0.003 0.000 0.267 71 G HA3 -0.362 3.600 3.960 0.003 0.000 0.267 71 G C -0.119 174.776 174.900 -0.009 0.000 0.993 71 G CA 0.684 45.771 45.100 -0.021 0.000 0.701 71 G HN 0.922 nan 8.290 nan 0.000 0.524 72 Q N 0.513 120.301 119.800 -0.020 0.000 2.257 72 Q HA 0.458 4.800 4.340 0.003 0.000 0.255 72 Q C -2.564 173.438 176.000 0.002 0.000 0.920 72 Q CA -2.232 53.567 55.803 -0.008 0.000 0.927 72 Q CB 1.476 30.205 28.738 -0.014 0.000 1.229 72 Q HN 0.104 nan 8.270 nan 0.000 0.433 73 P HA -0.056 nan 4.420 nan 0.000 0.250 73 P C -0.738 176.577 177.300 0.024 0.000 1.161 73 P CA 0.542 63.666 63.100 0.040 0.000 0.863 73 P CB -0.329 31.385 31.700 0.022 0.000 0.827 74 L N 3.956 125.197 121.223 0.030 0.000 2.281 74 L HA 0.565 4.907 4.340 0.003 0.000 0.285 74 L C -2.331 174.556 176.870 0.028 0.000 1.074 74 L CA -2.566 52.285 54.840 0.018 0.000 0.817 74 L CB 0.822 42.874 42.059 -0.012 0.000 1.168 74 L HN 0.094 nan 8.230 nan 0.000 0.434 75 P HA 0.051 nan 4.420 nan 0.000 0.272 75 P C -0.290 177.034 177.300 0.040 0.000 1.223 75 P CA -0.267 62.847 63.100 0.023 0.000 0.784 75 P CB 1.258 32.975 31.700 0.029 0.000 0.923 76 V N 2.268 122.200 119.914 0.030 0.000 2.427 76 V HA 0.143 4.264 4.120 0.003 0.000 0.268 76 V C 1.762 177.863 176.094 0.011 0.000 1.046 76 V CA 0.455 62.777 62.300 0.037 0.000 0.970 76 V CB -0.070 31.799 31.823 0.077 0.000 1.001 76 V HN 0.704 nan 8.190 nan 0.000 0.476 77 A N 3.996 126.814 122.820 -0.004 0.000 2.167 77 A HA 0.561 4.883 4.320 0.003 0.000 0.214 77 A C 1.137 178.661 177.584 -0.100 0.000 1.151 77 A CA 1.009 53.059 52.037 0.021 0.000 0.735 77 A CB -0.155 18.939 19.000 0.156 0.000 0.802 77 A HN 1.288 nan 8.150 nan 0.000 0.467 78 G N -1.094 107.513 108.800 -0.323 0.000 2.313 78 G HA2 0.448 4.410 3.960 0.003 0.000 0.296 78 G HA3 0.448 4.410 3.960 0.003 0.000 0.296 78 G C -1.706 172.830 174.900 -0.606 0.000 1.356 78 G CA -0.770 44.045 45.100 -0.474 0.000 0.833 78 G HN 0.272 nan 8.290 nan 0.000 0.552 79 K N -0.680 119.431 120.400 -0.482 0.000 2.375 79 K HA 0.749 5.071 4.320 0.003 0.000 0.249 79 K C -0.901 175.395 176.600 -0.506 0.000 0.942 79 K CA -0.918 55.047 56.287 -0.538 0.000 0.806 79 K CB 2.380 34.583 32.500 -0.495 0.000 1.227 79 K HN 0.581 nan 8.250 nan 0.000 0.430 80 S N 2.657 117.969 115.700 -0.646 0.000 2.552 80 S HA 0.610 5.081 4.470 0.003 0.000 0.314 80 S C -1.169 173.106 174.600 -0.543 0.000 1.099 80 S CA -0.734 57.227 58.200 -0.400 0.000 1.070 80 S CB 0.101 63.136 63.200 -0.276 0.000 0.998 80 S HN 0.458 nan 8.310 nan 0.000 0.474 81 F N 2.318 122.229 119.950 -0.065 0.000 2.509 81 F HA 0.678 5.207 4.527 0.003 0.000 0.334 81 F C 1.588 177.365 175.800 -0.038 0.000 1.060 81 F CA -0.634 57.334 58.000 -0.053 0.000 0.997 81 F CB 0.616 39.594 39.000 -0.036 0.000 1.271 81 F HN 0.673 nan 8.300 nan 0.000 0.488 82 A N 1.046 123.973 122.820 0.180 0.000 1.859 82 A HA -0.088 4.234 4.320 0.003 0.000 0.217 82 A C 2.116 179.761 177.584 0.102 0.000 1.198 82 A CA 2.196 54.295 52.037 0.105 0.000 0.629 82 A CB -1.544 17.509 19.000 0.088 0.000 0.830 82 A HN 0.954 nan 8.150 nan 0.000 0.446 83 G N -2.326 106.538 108.800 0.107 0.000 3.088 83 G HA2 0.303 4.264 3.960 0.003 0.000 0.212 83 G HA3 0.303 4.264 3.960 0.003 0.000 0.212 83 G C 0.619 175.574 174.900 0.091 0.000 1.173 83 G CA 0.757 45.906 45.100 0.081 0.000 0.779 83 G HN 0.473 nan 8.290 nan 0.000 0.540 84 Q N 0.631 120.516 119.800 0.141 0.000 3.075 84 Q HA 0.327 4.668 4.340 0.003 0.000 0.318 84 Q C -2.682 173.393 176.000 0.126 0.000 0.907 84 Q CA -1.844 54.056 55.803 0.161 0.000 0.882 84 Q CB 1.600 30.472 28.738 0.223 0.000 1.386 84 Q HN 0.015 nan 8.270 nan 0.000 0.408 85 P HA -0.121 nan 4.420 nan 0.000 0.265 85 P C -1.322 175.764 177.300 -0.357 0.000 1.187 85 P CA 0.255 63.239 63.100 -0.193 0.000 0.766 85 P CB 0.208 31.746 31.700 -0.269 0.000 0.820 86 Y N 2.983 123.002 120.300 -0.469 0.000 2.365 86 Y HA 0.172 4.724 4.550 0.003 0.000 0.340 86 Y C 0.596 176.182 175.900 -0.523 0.000 1.016 86 Y CA 0.104 57.974 58.100 -0.384 0.000 1.196 86 Y CB 0.426 38.711 38.460 -0.292 0.000 1.167 86 Y HN 0.494 nan 8.280 nan 0.000 0.509 87 H N 3.377 122.114 119.070 -0.556 0.000 2.475 87 H HA 0.307 4.864 4.556 0.003 0.000 0.276 87 H C 0.776 175.752 175.328 -0.586 0.000 1.126 87 H CA -0.055 55.736 56.048 -0.428 0.000 1.023 87 H CB 0.372 29.997 29.762 -0.230 0.000 1.669 87 H HN 0.792 nan 8.280 nan 0.000 0.573 88 G N -0.099 107.939 108.800 -1.270 0.000 2.535 88 G HA2 0.021 3.982 3.960 0.003 0.000 0.282 88 G HA3 0.021 3.982 3.960 0.003 0.000 0.282 88 G C 0.793 175.612 174.900 -0.134 0.000 1.350 88 G CA -0.417 44.214 45.100 -0.781 0.000 1.039 88 G HN 0.368 nan 8.290 nan 0.000 0.509 89 E N -1.649 118.620 120.200 0.114 0.000 2.051 89 E HA -0.128 4.223 4.350 0.003 0.000 0.192 89 E C 0.177 176.990 176.600 0.355 0.000 0.991 89 E CA 0.532 57.051 56.400 0.198 0.000 0.799 89 E CB -0.037 29.761 29.700 0.162 0.000 0.748 89 E HN 0.383 nan 8.360 nan 0.000 0.449 90 W N 1.017 122.446 121.300 0.216 0.000 5.566 90 W HA -0.131 4.531 4.660 0.003 0.000 0.432 90 W C -2.508 174.055 176.519 0.073 0.000 1.749 90 W CA -0.300 57.135 57.345 0.150 0.000 0.922 90 W CB -1.542 28.019 29.460 0.168 0.000 2.934 90 W HN 0.061 nan 8.180 nan 0.000 1.206 91 P HA 0.376 nan 4.420 nan 0.000 0.274 91 P C 1.001 178.256 177.300 -0.076 0.000 1.260 91 P CA 0.948 64.076 63.100 0.047 0.000 0.793 91 P CB 0.261 32.005 31.700 0.074 0.000 1.048 92 A N 0.979 123.743 122.820 -0.093 0.000 1.862 92 A HA -0.108 4.214 4.320 0.003 0.000 0.217 92 A C 1.773 179.289 177.584 -0.113 0.000 1.251 92 A CA 2.180 54.138 52.037 -0.132 0.000 0.673 92 A CB -1.995 16.954 19.000 -0.086 0.000 0.843 92 A HN 0.639 nan 8.150 nan 0.000 0.458 93 G N -0.030 108.740 108.800 -0.050 0.000 3.541 93 G HA2 0.440 4.402 3.960 0.003 0.000 0.253 93 G HA3 0.440 4.402 3.960 0.003 0.000 0.253 93 G C 0.184 175.096 174.900 0.021 0.000 1.017 93 G CA 0.684 45.766 45.100 -0.030 0.000 1.832 93 G HN 0.989 nan 8.290 nan 0.000 0.649 94 T N -2.665 111.935 114.554 0.077 0.000 2.864 94 T HA 0.618 4.970 4.350 0.003 0.000 0.299 94 T C -0.066 174.860 174.700 0.377 0.000 1.166 94 T CA -0.705 61.507 62.100 0.186 0.000 1.007 94 T CB 1.761 70.766 68.868 0.228 0.000 1.219 94 T HN 0.648 nan 8.240 nan 0.000 0.506 95 C N 1.081 120.545 119.300 0.274 0.000 2.771 95 C HA 0.897 5.359 4.460 0.003 0.000 0.333 95 C C -0.795 174.177 174.990 -0.029 0.000 1.267 95 C CA -1.109 58.068 59.018 0.265 0.000 1.721 95 C CB 0.478 28.355 27.740 0.227 0.000 2.222 95 C HN 0.874 nan 8.230 nan 0.000 0.485 96 I N 2.427 122.835 120.570 -0.270 0.000 2.354 96 I HA 0.393 4.564 4.170 0.003 0.000 0.286 96 I C 0.372 176.315 176.117 -0.290 0.000 1.007 96 I CA -0.184 60.803 61.300 -0.521 0.000 1.167 96 I CB 0.893 38.302 38.000 -0.986 0.000 1.320 96 I HN 0.861 nan 8.210 nan 0.000 0.458 97 R N 6.195 126.547 120.500 -0.247 0.000 2.538 97 R HA 0.367 4.709 4.340 0.003 0.000 0.282 97 R C -1.089 174.890 176.300 -0.535 0.000 1.009 97 R CA 0.704 56.563 56.100 -0.402 0.000 1.063 97 R CB 0.253 30.358 30.300 -0.326 0.000 0.945 97 R HN 0.708 nan 8.270 nan 0.000 0.414 98 I N 3.764 124.007 120.570 -0.546 0.000 2.994 98 I HA 0.395 4.567 4.170 0.003 0.000 0.306 98 I C -1.378 174.508 176.117 -0.385 0.000 1.195 98 I CA -1.325 59.698 61.300 -0.461 0.000 1.001 98 I CB 1.958 39.760 38.000 -0.331 0.000 1.244 98 I HN 0.611 nan 8.210 nan 0.000 0.437 99 M N 2.947 122.363 119.600 -0.306 0.000 2.598 99 M HA 0.441 4.923 4.480 0.003 0.000 0.317 99 M C -0.300 175.939 176.300 -0.103 0.000 1.179 99 M CA -0.377 54.819 55.300 -0.174 0.000 0.936 99 M CB 1.976 34.522 32.600 -0.089 0.000 1.713 99 M HN 0.503 nan 8.290 nan 0.000 0.460 100 T N 1.597 116.114 114.554 -0.063 0.000 2.939 100 T HA 0.362 4.713 4.350 0.003 0.000 0.319 100 T C 1.185 175.878 174.700 -0.012 0.000 1.082 100 T CA 1.298 63.378 62.100 -0.034 0.000 1.133 100 T CB -0.028 68.829 68.868 -0.018 0.000 1.019 100 T HN 0.994 nan 8.240 nan 0.000 0.548 101 G N 1.480 110.279 108.800 -0.001 0.000 2.377 101 G HA2 -0.198 3.763 3.960 0.003 0.000 0.250 101 G HA3 -0.198 3.763 3.960 0.003 0.000 0.250 101 G C 0.414 175.329 174.900 0.025 0.000 1.039 101 G CA 0.158 45.271 45.100 0.022 0.000 0.625 101 G HN 1.345 nan 8.290 nan 0.000 0.526 102 A N 2.532 125.348 122.820 -0.006 0.000 2.520 102 A HA 0.558 4.879 4.320 0.003 0.000 0.245 102 A C -1.244 176.320 177.584 -0.034 0.000 1.072 102 A CA -0.078 51.944 52.037 -0.026 0.000 0.761 102 A CB 0.099 19.040 19.000 -0.098 0.000 1.004 102 A HN 0.358 nan 8.150 nan 0.000 0.499 103 P HA 0.071 nan 4.420 nan 0.000 0.267 103 P C -0.095 177.153 177.300 -0.087 0.000 1.205 103 P CA 0.103 63.180 63.100 -0.038 0.000 0.765 103 P CB 0.631 32.245 31.700 -0.143 0.000 0.828 104 V N 6.729 126.617 119.914 -0.043 0.000 2.572 104 V HA 0.115 4.237 4.120 0.003 0.000 0.291 104 V C -1.445 174.609 176.094 -0.065 0.000 1.039 104 V CA -1.352 60.911 62.300 -0.062 0.000 1.055 104 V CB 0.451 32.272 31.823 -0.004 0.000 0.969 104 V HN 0.615 nan 8.190 nan 0.000 0.482 105 P HA 0.114 nan 4.420 nan 0.000 0.271 105 P C -0.437 176.945 177.300 0.136 0.000 1.218 105 P CA -0.336 62.727 63.100 -0.061 0.000 0.780 105 P CB 0.454 31.999 31.700 -0.259 0.000 0.901 106 E N 0.861 121.170 120.200 0.183 0.000 2.558 106 E HA 0.217 4.569 4.350 0.003 0.000 0.255 106 E C 1.174 177.993 176.600 0.365 0.000 0.968 106 E CA 0.822 57.354 56.400 0.220 0.000 0.939 106 E CB -0.414 29.382 29.700 0.160 0.000 0.921 106 E HN 0.818 nan 8.360 nan 0.000 0.477 107 G N 2.352 111.307 108.800 0.258 0.000 2.213 107 G HA2 -0.307 3.655 3.960 0.003 0.000 0.226 107 G HA3 -0.307 3.655 3.960 0.003 0.000 0.226 107 G C 0.515 175.568 174.900 0.255 0.000 0.992 107 G CA -0.178 45.025 45.100 0.171 0.000 0.632 107 G HN 0.710 nan 8.290 nan 0.000 0.511 108 C N 0.817 120.387 119.300 0.450 0.000 2.702 108 C HA 0.540 5.002 4.460 0.003 0.000 0.411 108 C C 1.701 176.813 174.990 0.204 0.000 1.286 108 C CA 1.288 60.551 59.018 0.408 0.000 1.979 108 C CB 0.393 28.269 27.740 0.227 0.000 2.728 108 C HN 0.593 nan 8.230 nan 0.000 0.652 109 E N 1.203 121.503 120.200 0.166 0.000 2.603 109 E HA 0.370 4.721 4.350 0.003 0.000 0.218 109 E C -0.155 176.494 176.600 0.082 0.000 0.878 109 E CA 0.382 56.839 56.400 0.094 0.000 1.348 109 E CB 0.831 30.567 29.700 0.060 0.000 1.318 109 E HN 0.807 nan 8.360 nan 0.000 0.673 110 A N 0.550 123.431 122.820 0.102 0.000 2.569 110 A HA 0.540 4.861 4.320 0.003 0.000 0.292 110 A C -1.655 175.993 177.584 0.107 0.000 1.032 110 A CA -0.572 51.518 52.037 0.088 0.000 0.669 110 A CB 1.257 20.304 19.000 0.078 0.000 1.290 110 A HN -0.046 nan 8.150 nan 0.000 0.422 111 V N 0.549 120.520 119.914 0.094 0.000 2.604 111 V HA 0.669 4.791 4.120 0.003 0.000 0.305 111 V C -0.469 175.701 176.094 0.127 0.000 1.043 111 V CA -0.641 61.719 62.300 0.100 0.000 0.888 111 V CB 1.719 33.563 31.823 0.035 0.000 0.995 111 V HN 0.837 nan 8.190 nan 0.000 0.429 112 V N 5.196 125.227 119.914 0.195 0.000 2.495 112 V HA 0.478 4.600 4.120 0.003 0.000 0.298 112 V C 0.134 176.277 176.094 0.082 0.000 1.031 112 V CA -0.657 61.749 62.300 0.176 0.000 0.871 112 V CB 1.779 33.796 31.823 0.322 0.000 0.988 112 V HN 0.929 nan 8.190 nan 0.000 0.432 113 M N 3.621 123.237 119.600 0.028 0.000 2.245 113 M HA 0.216 4.698 4.480 0.003 0.000 0.330 113 M C 1.199 177.485 176.300 -0.023 0.000 1.098 113 M CA 0.150 55.440 55.300 -0.015 0.000 1.172 113 M CB 0.081 32.672 32.600 -0.015 0.000 1.467 113 M HN 0.740 nan 8.290 nan 0.000 0.454 114 Q N 0.049 119.825 119.800 -0.039 0.000 2.547 114 Q HA -0.086 4.256 4.340 0.003 0.000 0.217 114 Q C 0.217 176.201 176.000 -0.026 0.000 0.978 114 Q CA 0.820 56.620 55.803 -0.005 0.000 0.962 114 Q CB -0.009 28.712 28.738 -0.030 0.000 0.990 114 Q HN 0.689 nan 8.270 nan 0.000 0.538 115 E N 1.815 121.995 120.200 -0.035 0.000 2.099 115 E HA -0.048 4.304 4.350 0.003 0.000 0.191 115 E C 1.087 177.661 176.600 -0.043 0.000 0.962 115 E CA 0.959 57.340 56.400 -0.032 0.000 0.826 115 E CB 0.098 29.786 29.700 -0.021 0.000 0.788 115 E HN 0.660 nan 8.360 nan 0.000 0.461 116 Q N 0.183 119.954 119.800 -0.048 0.000 2.265 116 Q HA 0.172 4.513 4.340 0.003 0.000 0.217 116 Q C -0.239 175.678 176.000 -0.138 0.000 0.916 116 Q CA 0.314 56.086 55.803 -0.052 0.000 0.948 116 Q CB 0.158 28.890 28.738 -0.010 0.000 1.020 116 Q HN -0.168 nan 8.270 nan 0.000 0.462 117 T N 0.794 115.243 114.554 -0.175 0.000 2.933 117 T HA 0.276 4.628 4.350 0.003 0.000 0.305 117 T C -1.614 172.973 174.700 -0.188 0.000 1.092 117 T CA -0.549 61.360 62.100 -0.318 0.000 1.008 117 T CB 2.074 70.674 68.868 -0.447 0.000 1.102 117 T HN 0.150 nan 8.240 nan 0.000 0.469 118 E N 2.574 122.659 120.200 -0.191 0.000 2.256 118 E HA 0.312 4.664 4.350 0.003 0.000 0.268 118 E C -1.133 175.398 176.600 -0.115 0.000 0.877 118 E CA -0.630 55.705 56.400 -0.108 0.000 0.757 118 E CB 1.636 31.297 29.700 -0.065 0.000 1.183 118 E HN 0.611 nan 8.360 nan 0.000 0.418 119 Q N 3.329 123.081 119.800 -0.079 0.000 2.296 119 Q HA 0.411 4.753 4.340 0.003 0.000 0.257 119 Q C -0.020 175.958 176.000 -0.037 0.000 0.942 119 Q CA -0.341 55.421 55.803 -0.068 0.000 0.939 119 Q CB 1.309 30.026 28.738 -0.035 0.000 1.198 119 Q HN 0.265 nan 8.270 nan 0.000 0.429 120 M N 1.158 120.739 119.600 -0.032 0.000 2.811 120 M HA 0.227 4.709 4.480 0.003 0.000 0.303 120 M C 0.237 176.532 176.300 -0.009 0.000 1.227 120 M CA -1.118 54.172 55.300 -0.016 0.000 0.874 120 M CB 0.686 33.280 32.600 -0.011 0.000 1.681 120 M HN 0.624 nan 8.290 nan 0.000 0.500 121 D N 0.256 120.655 120.400 -0.003 0.000 2.310 121 D HA -0.146 4.496 4.640 0.003 0.000 0.212 121 D C 0.624 176.926 176.300 0.003 0.000 0.965 121 D CA 0.882 54.883 54.000 0.002 0.000 0.879 121 D CB -0.473 40.329 40.800 0.003 0.000 0.921 121 D HN 0.602 nan 8.370 nan 0.000 0.510 122 N N 0.127 118.828 118.700 0.001 0.000 2.273 122 N HA 0.280 5.022 4.740 0.003 0.000 0.231 122 N C 0.606 176.118 175.510 0.003 0.000 1.134 122 N CA 0.059 53.111 53.050 0.004 0.000 0.856 122 N CB 0.449 38.939 38.487 0.004 0.000 1.068 122 N HN 0.260 nan 8.380 nan 0.000 0.510 123 G N -0.871 107.927 108.800 -0.004 0.000 2.479 123 G HA2 -0.059 3.903 3.960 0.003 0.000 0.686 123 G HA3 -0.059 3.903 3.960 0.003 0.000 0.686 123 G C -1.399 173.478 174.900 -0.039 0.000 1.295 123 G CA -0.598 44.494 45.100 -0.014 0.000 0.922 123 G HN 0.120 nan 8.290 nan 0.000 0.582 124 V N 1.122 120.987 119.914 -0.082 0.000 2.508 124 V HA 0.453 4.575 4.120 0.003 0.000 0.281 124 V C 1.157 177.266 176.094 0.025 0.000 1.041 124 V CA 0.179 62.379 62.300 -0.166 0.000 1.016 124 V CB 1.286 32.803 31.823 -0.510 0.000 0.984 124 V HN 0.787 nan 8.190 nan 0.000 0.478 125 R N 4.429 124.914 120.500 -0.026 0.000 2.215 125 R HA 0.362 4.704 4.340 0.003 0.000 0.336 125 R C -1.276 175.056 176.300 0.054 0.000 0.996 125 R CA -0.612 55.534 56.100 0.075 0.000 0.847 125 R CB 0.453 30.764 30.300 0.017 0.000 1.127 125 R HN 0.501 nan 8.270 nan 0.000 0.465 126 F N 3.277 123.189 119.950 -0.064 0.000 2.466 126 F HA 0.140 4.669 4.527 0.003 0.000 0.363 126 F C 1.588 177.376 175.800 -0.020 0.000 1.109 126 F CA 0.045 58.021 58.000 -0.039 0.000 1.161 126 F CB 1.516 40.499 39.000 -0.028 0.000 1.117 126 F HN 0.534 nan 8.300 nan 0.000 0.539 127 T N 1.621 116.200 114.554 0.042 0.000 2.812 127 T HA 0.067 4.418 4.350 0.003 0.000 0.264 127 T C 1.309 176.041 174.700 0.054 0.000 1.042 127 T CA 1.149 63.268 62.100 0.032 0.000 1.140 127 T CB 0.014 68.877 68.868 -0.009 0.000 0.870 127 T HN 0.551 nan 8.240 nan 0.000 0.445 128 A N 1.032 123.893 122.820 0.069 0.000 3.179 128 A HA 0.604 4.926 4.320 0.003 0.000 0.213 128 A C 0.142 177.781 177.584 0.092 0.000 1.752 128 A CA -0.638 51.440 52.037 0.068 0.000 0.857 128 A CB 0.391 19.423 19.000 0.053 0.000 1.798 128 A HN 0.299 nan 8.150 nan 0.000 0.606 129 E N -0.619 119.626 120.200 0.076 0.000 2.222 129 E HA 0.550 4.902 4.350 0.003 0.000 0.272 129 E C -1.823 174.829 176.600 0.085 0.000 0.982 129 E CA -0.447 55.994 56.400 0.069 0.000 0.842 129 E CB 1.570 31.296 29.700 0.044 0.000 1.144 129 E HN 0.253 nan 8.360 nan 0.000 0.397 130 V N 4.239 124.196 119.914 0.072 0.000 2.357 130 V HA 0.330 4.452 4.120 0.003 0.000 0.281 130 V C -0.259 175.861 176.094 0.044 0.000 1.015 130 V CA -0.772 61.574 62.300 0.076 0.000 0.827 130 V CB 1.092 32.964 31.823 0.081 0.000 1.018 130 V HN 0.560 nan 8.190 nan 0.000 0.432 131 R N 2.483 123.009 120.500 0.044 0.000 2.486 131 R HA 0.571 4.912 4.340 0.003 0.000 0.286 131 R C 0.424 176.745 176.300 0.035 0.000 0.999 131 R CA -0.123 55.996 56.100 0.032 0.000 0.993 131 R CB 1.575 31.892 30.300 0.027 0.000 1.084 131 R HN 0.698 nan 8.270 nan 0.000 0.487 132 S N 1.255 116.972 115.700 0.028 0.000 2.558 132 S HA 0.308 4.779 4.470 0.003 0.000 0.291 132 S C 1.125 175.745 174.600 0.034 0.000 1.306 132 S CA 1.535 59.754 58.200 0.031 0.000 1.056 132 S CB 0.006 63.220 63.200 0.024 0.000 0.836 132 S HN 0.838 nan 8.310 nan 0.000 0.504 133 G N 2.910 111.734 108.800 0.040 0.000 2.336 133 G HA2 -0.299 3.662 3.960 0.003 0.000 0.233 133 G HA3 -0.299 3.662 3.960 0.003 0.000 0.233 133 G C 0.195 175.119 174.900 0.039 0.000 1.053 133 G CA 0.383 45.505 45.100 0.037 0.000 0.625 133 G HN 0.962 nan 8.290 nan 0.000 0.511 134 Q N 1.008 120.833 119.800 0.042 0.000 2.549 134 Q HA 0.056 4.397 4.340 0.003 0.000 0.347 134 Q C 0.978 177.005 176.000 0.044 0.000 1.081 134 Q CA 1.105 56.935 55.803 0.045 0.000 1.093 134 Q CB -0.071 28.701 28.738 0.057 0.000 1.067 134 Q HN 0.533 nan 8.270 nan 0.000 0.398 135 N N 2.055 120.775 118.700 0.033 0.000 2.678 135 N HA -0.231 4.511 4.740 0.003 0.000 0.250 135 N C -1.106 174.417 175.510 0.022 0.000 1.136 135 N CA 1.354 54.419 53.050 0.024 0.000 0.757 135 N CB -1.077 37.424 38.487 0.023 0.000 1.135 135 N HN 0.535 nan 8.380 nan 0.000 0.565 136 I N 1.316 121.903 120.570 0.028 0.000 2.307 136 I HA 0.135 4.306 4.170 0.003 0.000 0.289 136 I C 0.463 176.596 176.117 0.028 0.000 1.021 136 I CA -0.534 60.784 61.300 0.030 0.000 1.224 136 I CB 0.866 38.890 38.000 0.040 0.000 1.376 136 I HN -0.197 nan 8.210 nan 0.000 0.470 137 R N 7.093 127.609 120.500 0.027 0.000 2.288 137 R HA 0.255 4.597 4.340 0.003 0.000 0.330 137 R C -0.303 176.016 176.300 0.031 0.000 1.069 137 R CA -0.698 55.417 56.100 0.025 0.000 0.941 137 R CB 0.328 30.642 30.300 0.023 0.000 0.998 137 R HN 0.452 nan 8.270 nan 0.000 0.452 138 R N 3.523 124.038 120.500 0.025 0.000 2.449 138 R HA -0.001 4.341 4.340 0.003 0.000 0.296 138 R C 0.478 176.787 176.300 0.016 0.000 1.047 138 R CA -0.189 55.926 56.100 0.024 0.000 1.018 138 R CB 0.148 30.458 30.300 0.017 0.000 0.962 138 R HN 0.628 nan 8.270 nan 0.000 0.428 139 R N 0.678 121.190 120.500 0.019 0.000 2.698 139 R HA 0.117 4.458 4.340 0.003 0.000 0.266 139 R C 0.809 177.097 176.300 -0.021 0.000 1.026 139 R CA 0.727 56.823 56.100 -0.006 0.000 1.102 139 R CB 0.047 30.337 30.300 -0.018 0.000 0.978 139 R HN 0.817 nan 8.270 nan 0.000 0.436 140 G N 1.561 110.338 108.800 -0.037 0.000 2.212 140 G HA2 -0.412 3.550 3.960 0.003 0.000 0.267 140 G HA3 -0.412 3.550 3.960 0.003 0.000 0.267 140 G C 0.696 175.579 174.900 -0.029 0.000 1.002 140 G CA 0.874 45.951 45.100 -0.040 0.000 0.729 140 G HN 0.951 nan 8.290 nan 0.000 0.517 141 E N -0.765 119.423 120.200 -0.019 0.000 2.285 141 E HA -0.033 4.318 4.350 0.003 0.000 0.194 141 E C 1.327 177.915 176.600 -0.019 0.000 0.997 141 E CA 0.993 57.384 56.400 -0.014 0.000 0.845 141 E CB -0.050 29.648 29.700 -0.005 0.000 0.782 141 E HN 0.479 nan 8.360 nan 0.000 0.491 142 D N 0.630 121.016 120.400 -0.024 0.000 2.259 142 D HA 0.192 4.833 4.640 0.003 0.000 0.216 142 D C 0.620 176.893 176.300 -0.046 0.000 0.961 142 D CA 0.607 54.590 54.000 -0.029 0.000 0.878 142 D CB 0.945 41.732 40.800 -0.022 0.000 1.009 142 D HN 0.184 nan 8.370 nan 0.000 0.490 143 I N 1.203 121.742 120.570 -0.051 0.000 2.534 143 I HA 0.044 4.215 4.170 0.003 0.000 0.286 143 I C -0.659 175.422 176.117 -0.059 0.000 1.094 143 I CA -0.485 60.774 61.300 -0.068 0.000 1.055 143 I CB 2.186 40.136 38.000 -0.082 0.000 1.225 143 I HN -0.195 nan 8.210 nan 0.000 0.435 144 S N 4.549 120.215 115.700 -0.056 0.000 2.525 144 S HA 0.753 5.224 4.470 0.003 0.000 0.278 144 S C 0.294 174.863 174.600 -0.051 0.000 1.234 144 S CA -0.827 57.344 58.200 -0.048 0.000 1.058 144 S CB 1.778 64.954 63.200 -0.039 0.000 0.983 144 S HN 0.695 nan 8.310 nan 0.000 0.495 145 A N 1.984 124.775 122.820 -0.048 0.000 2.531 145 A HA 0.509 4.831 4.320 0.003 0.000 0.236 145 A C 1.557 179.118 177.584 -0.038 0.000 1.062 145 A CA 0.156 52.166 52.037 -0.045 0.000 0.760 145 A CB -1.246 17.728 19.000 -0.044 0.000 0.995 145 A HN 2.426 nan 8.150 nan 0.000 0.501 146 G N 0.019 108.798 108.800 -0.035 0.000 2.179 146 G HA2 0.160 4.122 3.960 0.003 0.000 0.260 146 G HA3 0.160 4.122 3.960 0.003 0.000 0.260 146 G C 0.500 175.380 174.900 -0.034 0.000 0.977 146 G CA 0.622 45.704 45.100 -0.029 0.000 0.641 146 G HN 2.194 nan 8.290 nan 0.000 0.533 147 A N -0.426 122.367 122.820 -0.046 0.000 2.282 147 A HA 0.792 5.113 4.320 0.003 0.000 0.319 147 A C 0.421 177.964 177.584 -0.068 0.000 1.121 147 A CA -0.066 51.939 52.037 -0.054 0.000 0.836 147 A CB 1.506 20.468 19.000 -0.064 0.000 1.146 147 A HN 1.079 nan 8.150 nan 0.000 0.494 148 V N 2.824 122.697 119.914 -0.068 0.000 2.427 148 V HA 0.103 4.225 4.120 0.003 0.000 0.268 148 V C 1.127 177.132 176.094 -0.148 0.000 1.046 148 V CA 0.121 62.375 62.300 -0.076 0.000 0.970 148 V CB 0.834 32.629 31.823 -0.046 0.000 1.001 148 V HN 0.712 nan 8.190 nan 0.000 0.476 149 V N 4.944 124.725 119.914 -0.221 0.000 2.426 149 V HA 0.182 4.304 4.120 0.003 0.000 0.242 149 V C 0.334 175.962 176.094 -0.777 0.000 1.036 149 V CA 1.083 63.072 62.300 -0.519 0.000 1.044 149 V CB -0.315 31.154 31.823 -0.590 0.000 0.688 149 V HN 0.650 nan 8.190 nan 0.000 0.462 150 F N 1.494 121.435 119.950 -0.015 0.000 2.557 150 F HA 0.567 5.096 4.527 0.003 0.000 0.316 150 F C -2.753 173.037 175.800 -0.017 0.000 1.141 150 F CA -2.410 55.579 58.000 -0.018 0.000 0.922 150 F CB 2.373 41.360 39.000 -0.023 0.000 1.194 150 F HN -0.104 nan 8.300 nan 0.000 0.443 151 P HA 0.271 nan 4.420 nan 0.000 0.281 151 P C -0.747 176.595 177.300 0.070 0.000 1.249 151 P CA -0.361 62.787 63.100 0.080 0.000 0.810 151 P CB 1.225 32.956 31.700 0.052 0.000 1.008 152 A N 1.286 124.132 122.820 0.043 0.000 2.540 152 A HA 0.401 4.723 4.320 0.003 0.000 0.239 152 A C 1.444 179.039 177.584 0.017 0.000 1.061 152 A CA 1.065 53.118 52.037 0.027 0.000 0.758 152 A CB -1.543 17.468 19.000 0.019 0.000 0.991 152 A HN 0.896 nan 8.150 nan 0.000 0.502 153 G N 1.430 110.232 108.800 0.004 0.000 2.238 153 G HA2 -0.176 3.785 3.960 0.003 0.000 0.217 153 G HA3 -0.176 3.785 3.960 0.003 0.000 0.217 153 G C 0.411 175.298 174.900 -0.021 0.000 0.996 153 G CA 0.231 45.327 45.100 -0.007 0.000 0.632 153 G HN 1.229 nan 8.290 nan 0.000 0.503 154 T N 1.779 116.320 114.554 -0.020 0.000 2.834 154 T HA 0.434 4.786 4.350 0.003 0.000 0.298 154 T C 0.550 175.185 174.700 -0.109 0.000 0.966 154 T CA 0.023 62.090 62.100 -0.054 0.000 1.141 154 T CB 1.427 70.271 68.868 -0.041 0.000 0.905 154 T HN 0.530 nan 8.240 nan 0.000 0.535 155 R N 3.740 124.161 120.500 -0.132 0.000 2.267 155 R HA 0.269 4.610 4.340 0.003 0.000 0.319 155 R C -0.378 175.761 176.300 -0.268 0.000 1.067 155 R CA -0.511 55.485 56.100 -0.174 0.000 0.936 155 R CB 0.096 30.303 30.300 -0.155 0.000 1.006 155 R HN 0.596 nan 8.270 nan 0.000 0.452 156 L N 4.108 125.149 121.223 -0.303 0.000 2.367 156 L HA 0.237 4.578 4.340 0.003 0.000 0.275 156 L C 0.547 177.065 176.870 -0.588 0.000 1.129 156 L CA 0.185 54.795 54.840 -0.383 0.000 0.839 156 L CB 1.355 43.245 42.059 -0.283 0.000 1.133 156 L HN 0.753 nan 8.230 nan 0.000 0.453 157 T N -0.090 114.142 114.554 -0.537 0.000 2.716 157 T HA 0.181 4.533 4.350 0.003 0.000 0.286 157 T C 0.986 175.562 174.700 -0.207 0.000 1.052 157 T CA -0.417 61.305 62.100 -0.630 0.000 1.024 157 T CB 1.825 70.454 68.868 -0.399 0.000 1.349 157 T HN 0.619 nan 8.240 nan 0.000 0.525 158 T N 1.401 116.006 114.554 0.086 0.000 3.007 158 T HA 0.020 4.371 4.350 0.003 0.000 0.270 158 T C 1.877 176.598 174.700 0.035 0.000 1.107 158 T CA 1.059 63.240 62.100 0.134 0.000 1.118 158 T CB -0.276 68.709 68.868 0.194 0.000 0.889 158 T HN 0.577 nan 8.240 nan 0.000 0.506 159 A N 1.359 124.168 122.820 -0.019 0.000 1.930 159 A HA 0.029 4.351 4.320 0.003 0.000 0.215 159 A C 2.155 179.709 177.584 -0.049 0.000 1.176 159 A CA 1.009 53.036 52.037 -0.016 0.000 0.632 159 A CB -0.123 18.866 19.000 -0.020 0.000 0.819 159 A HN 0.394 nan 8.150 nan 0.000 0.445 160 E N -0.266 119.806 120.200 -0.214 0.000 2.162 160 E HA 0.179 4.531 4.350 0.003 0.000 0.193 160 E C 1.824 178.276 176.600 -0.246 0.000 0.953 160 E CA 0.252 56.367 56.400 -0.475 0.000 0.849 160 E CB -0.291 28.757 29.700 -1.087 0.000 0.810 160 E HN 0.488 nan 8.360 nan 0.000 0.470 161 L N 1.089 122.211 121.223 -0.167 0.000 2.012 161 L HA -0.117 4.225 4.340 0.003 0.000 0.210 161 L C -0.703 176.179 176.870 0.020 0.000 1.073 161 L CA 1.410 56.214 54.840 -0.061 0.000 0.748 161 L CB -1.196 40.843 42.059 -0.033 0.000 0.891 161 L HN 0.153 nan 8.230 nan 0.000 0.431 162 P HA -0.126 nan 4.420 nan 0.000 0.218 162 P C 1.886 179.234 177.300 0.081 0.000 1.149 162 P CA 1.045 64.178 63.100 0.056 0.000 0.817 162 P CB 0.072 31.804 31.700 0.054 0.000 0.785 163 V N -0.553 119.436 119.914 0.125 0.000 2.427 163 V HA -0.207 3.915 4.120 0.003 0.000 0.248 163 V C 2.279 178.479 176.094 0.178 0.000 1.051 163 V CA 1.504 63.910 62.300 0.176 0.000 1.048 163 V CB -0.982 31.029 31.823 0.313 0.000 0.666 163 V HN 0.066 nan 8.190 nan 0.000 0.456 164 I N 0.411 121.105 120.570 0.207 0.000 2.315 164 I HA -0.201 3.971 4.170 0.003 0.000 0.248 164 I C 2.594 178.764 176.117 0.088 0.000 1.117 164 I CA 1.349 62.748 61.300 0.164 0.000 1.404 164 I CB -0.471 37.615 38.000 0.144 0.000 1.071 164 I HN 0.276 nan 8.210 nan 0.000 0.419 165 A N 0.392 123.255 122.820 0.072 0.000 1.930 165 A HA -0.211 4.111 4.320 0.003 0.000 0.217 165 A C 2.427 180.038 177.584 0.045 0.000 1.175 165 A CA 1.843 53.910 52.037 0.050 0.000 0.627 165 A CB -0.796 18.231 19.000 0.045 0.000 0.815 165 A HN 0.499 nan 8.150 nan 0.000 0.443 166 S N -0.491 115.239 115.700 0.051 0.000 2.537 166 S HA 0.024 4.495 4.470 0.003 0.000 0.240 166 S C 1.249 175.864 174.600 0.025 0.000 0.981 166 S CA 1.164 59.387 58.200 0.038 0.000 0.948 166 S CB -0.496 62.729 63.200 0.041 0.000 0.759 166 S HN 0.454 nan 8.310 nan 0.000 0.531 167 L N 0.398 121.638 121.223 0.028 0.000 2.728 167 L HA 0.413 4.755 4.340 0.003 0.000 0.238 167 L C 1.684 178.562 176.870 0.013 0.000 1.143 167 L CA 0.178 55.025 54.840 0.012 0.000 0.937 167 L CB -0.266 41.800 42.059 0.012 0.000 1.225 167 L HN 0.501 nan 8.230 nan 0.000 0.507 168 G N 1.203 110.015 108.800 0.020 0.000 2.148 168 G HA2 -0.294 3.668 3.960 0.003 0.000 0.254 168 G HA3 -0.294 3.668 3.960 0.003 0.000 0.254 168 G C 0.179 175.091 174.900 0.021 0.000 0.981 168 G CA -0.074 45.038 45.100 0.019 0.000 0.670 168 G HN 0.306 nan 8.290 nan 0.000 0.528 169 I N 0.762 121.348 120.570 0.027 0.000 2.371 169 I HA 0.482 4.654 4.170 0.003 0.000 0.290 169 I C 1.553 177.687 176.117 0.028 0.000 1.028 169 I CA 0.189 61.506 61.300 0.028 0.000 1.345 169 I CB 1.479 39.501 38.000 0.036 0.000 1.407 169 I HN 0.137 nan 8.210 nan 0.000 0.501 170 A N 5.961 128.795 122.820 0.024 0.000 1.911 170 A HA 0.095 4.417 4.320 0.003 0.000 0.212 170 A C 0.588 178.185 177.584 0.022 0.000 1.189 170 A CA 0.627 52.678 52.037 0.022 0.000 0.639 170 A CB 0.035 19.046 19.000 0.019 0.000 0.839 170 A HN 0.771 nan 8.150 nan 0.000 0.449 171 E N -0.530 119.682 120.200 0.021 0.000 2.367 171 E HA 0.569 4.921 4.350 0.003 0.000 0.273 171 E C -1.132 175.480 176.600 0.020 0.000 0.903 171 E CA -0.940 55.472 56.400 0.019 0.000 0.764 171 E CB 1.978 31.688 29.700 0.016 0.000 1.252 171 E HN 0.314 nan 8.360 nan 0.000 0.446 172 V N -2.521 117.403 119.914 0.017 0.000 3.001 172 V HA 0.696 4.818 4.120 0.003 0.000 0.314 172 V C -2.801 173.300 176.094 0.012 0.000 1.099 172 V CA -2.712 59.599 62.300 0.018 0.000 0.989 172 V CB 1.689 33.524 31.823 0.020 0.000 1.040 172 V HN 0.652 nan 8.190 nan 0.000 0.434 173 P HA 0.493 nan 4.420 nan 0.000 0.285 173 P C -0.685 176.617 177.300 0.005 0.000 1.259 173 P CA -0.207 62.899 63.100 0.010 0.000 0.794 173 P CB 1.594 33.301 31.700 0.012 0.000 0.940 174 V N 1.261 121.176 119.914 0.002 0.000 2.914 174 V HA 0.537 4.659 4.120 0.003 0.000 0.314 174 V C 0.143 176.237 176.094 0.001 0.000 1.084 174 V CA -1.401 60.896 62.300 -0.004 0.000 0.963 174 V CB 1.587 33.404 31.823 -0.010 0.000 1.025 174 V HN 0.281 nan 8.190 nan 0.000 0.432 175 I N 3.416 123.985 120.570 -0.001 0.000 2.648 175 I HA 0.296 4.467 4.170 0.003 0.000 0.284 175 I C 1.249 177.370 176.117 0.006 0.000 1.153 175 I CA -0.027 61.276 61.300 0.005 0.000 1.426 175 I CB 0.606 38.609 38.000 0.004 0.000 1.381 175 I HN 0.902 nan 8.210 nan 0.000 0.571 176 R N 5.923 126.430 120.500 0.012 0.000 2.784 176 R HA 0.163 4.504 4.340 0.003 0.000 0.266 176 R C -0.554 175.756 176.300 0.015 0.000 1.044 176 R CA -0.430 55.678 56.100 0.014 0.000 1.151 176 R CB 0.329 30.639 30.300 0.016 0.000 1.037 176 R HN 0.420 nan 8.270 nan 0.000 0.478 177 K N 1.268 121.678 120.400 0.016 0.000 2.382 177 K HA 0.076 4.397 4.320 0.003 0.000 0.275 177 K C -0.339 176.275 176.600 0.022 0.000 1.009 177 K CA -0.446 55.851 56.287 0.018 0.000 0.970 177 K CB 0.953 33.465 32.500 0.019 0.000 0.934 177 K HN 0.309 nan 8.250 nan 0.000 0.479 178 V N 3.697 123.626 119.914 0.025 0.000 2.585 178 V HA 0.026 4.148 4.120 0.003 0.000 0.296 178 V C 0.565 176.678 176.094 0.031 0.000 1.035 178 V CA 0.091 62.412 62.300 0.035 0.000 1.084 178 V CB 0.430 32.276 31.823 0.039 0.000 0.953 178 V HN 0.631 nan 8.190 nan 0.000 0.483 179 R N 3.234 123.755 120.500 0.036 0.000 2.265 179 R HA 0.625 4.966 4.340 0.003 0.000 0.319 179 R C -1.199 175.120 176.300 0.031 0.000 1.006 179 R CA -0.403 55.713 56.100 0.026 0.000 0.880 179 R CB 1.599 31.914 30.300 0.025 0.000 1.077 179 R HN 0.561 nan 8.270 nan 0.000 0.454 180 V N 2.866 122.787 119.914 0.011 0.000 2.409 180 V HA 0.440 4.562 4.120 0.003 0.000 0.290 180 V C -0.057 176.025 176.094 -0.020 0.000 1.017 180 V CA -1.003 61.303 62.300 0.009 0.000 0.841 180 V CB 1.577 33.407 31.823 0.012 0.000 1.003 180 V HN 0.907 nan 8.190 nan 0.000 0.426 181 A N 5.895 128.717 122.820 0.003 0.000 2.354 181 A HA 0.826 5.148 4.320 0.003 0.000 0.269 181 A C -0.613 176.945 177.584 -0.043 0.000 1.109 181 A CA -0.287 51.757 52.037 0.011 0.000 0.800 181 A CB 0.762 19.804 19.000 0.071 0.000 1.045 181 A HN 0.843 nan 8.150 nan 0.000 0.489 182 L N 3.173 124.375 121.223 -0.035 0.000 2.455 182 L HA 0.849 5.190 4.340 0.003 0.000 0.264 182 L C -1.714 175.166 176.870 0.017 0.000 0.968 182 L CA -0.676 54.089 54.840 -0.125 0.000 0.827 182 L CB 1.839 43.819 42.059 -0.132 0.000 1.317 182 L HN 0.947 nan 8.230 nan 0.000 0.407 183 F N 1.155 121.073 119.950 -0.054 0.000 2.741 183 F HA 0.782 5.310 4.527 0.002 0.000 0.313 183 F C -0.971 174.818 175.800 -0.019 0.000 1.153 183 F CA -0.720 57.254 58.000 -0.044 0.000 0.931 183 F CB 1.318 40.268 39.000 -0.082 0.000 1.335 183 F HN 0.420 nan 8.300 nan 0.000 0.460 184 S N -0.210 115.667 115.700 0.295 0.000 2.667 184 S HA 0.899 5.371 4.470 0.003 0.000 0.292 184 S C -1.065 173.690 174.600 0.258 0.000 1.126 184 S CA -0.474 57.852 58.200 0.209 0.000 0.881 184 S CB 1.931 65.200 63.200 0.116 0.000 1.132 184 S HN 1.235 nan 8.310 nan 0.000 0.492 185 T N -0.961 113.713 114.554 0.200 0.000 2.889 185 T HA 0.724 5.076 4.350 0.003 0.000 0.315 185 T C -0.788 173.993 174.700 0.135 0.000 1.291 185 T CA 0.339 62.540 62.100 0.169 0.000 1.028 185 T CB 1.093 70.079 68.868 0.196 0.000 1.235 185 T HN 2.267 nan 8.240 nan 0.000 0.491 186 G N 3.227 112.101 108.800 0.123 0.000 2.380 186 G HA2 0.231 4.193 3.960 0.003 0.000 0.250 186 G HA3 0.231 4.193 3.960 0.003 0.000 0.250 186 G C 0.117 175.064 174.900 0.078 0.000 1.578 186 G CA 0.295 45.460 45.100 0.108 0.000 0.974 186 G HN 0.810 nan 8.290 nan 0.000 0.680 187 D N 1.405 121.849 120.400 0.074 0.000 2.271 187 D HA -0.162 4.480 4.640 0.003 0.000 0.207 187 D C 1.562 177.876 176.300 0.023 0.000 0.983 187 D CA 1.907 55.934 54.000 0.044 0.000 0.878 187 D CB -0.021 40.801 40.800 0.037 0.000 0.920 187 D HN 0.676 nan 8.370 nan 0.000 0.479 188 E N 0.133 120.349 120.200 0.025 0.000 2.427 188 E HA 0.103 4.455 4.350 0.003 0.000 0.196 188 E C 0.571 177.161 176.600 -0.017 0.000 1.028 188 E CA 0.068 56.469 56.400 0.001 0.000 0.864 188 E CB -0.198 29.509 29.700 0.011 0.000 0.813 188 E HN 0.323 nan 8.360 nan 0.000 0.514 189 L N 1.903 123.131 121.223 0.009 0.000 2.313 189 L HA 0.272 4.614 4.340 0.003 0.000 0.282 189 L C -0.077 176.790 176.870 -0.005 0.000 1.092 189 L CA -0.505 54.341 54.840 0.010 0.000 0.831 189 L CB 0.727 42.814 42.059 0.047 0.000 1.159 189 L HN 0.073 nan 8.230 nan 0.000 0.442 190 Q N 2.987 122.764 119.800 -0.038 0.000 2.365 190 Q HA 0.563 4.905 4.340 0.003 0.000 0.269 190 Q C -1.022 175.062 176.000 0.140 0.000 1.061 190 Q CA -0.447 55.338 55.803 -0.030 0.000 0.816 190 Q CB 2.122 30.720 28.738 -0.234 0.000 1.325 190 Q HN 0.479 nan 8.270 nan 0.000 0.446 191 L N 4.467 125.791 121.223 0.168 0.000 2.439 191 L HA 0.572 4.913 4.340 0.003 0.000 0.259 191 L C -1.832 175.225 176.870 0.311 0.000 1.129 191 L CA -2.072 52.888 54.840 0.199 0.000 0.803 191 L CB 0.932 43.052 42.059 0.102 0.000 1.161 191 L HN 0.609 nan 8.230 nan 0.000 0.462 192 P HA -0.005 nan 4.420 nan 0.000 0.270 192 P C 0.623 177.946 177.300 0.039 0.000 1.227 192 P CA 0.560 63.612 63.100 -0.080 0.000 0.788 192 P CB 0.590 32.185 31.700 -0.176 0.000 0.926 193 G N -0.290 108.510 108.800 0.001 0.000 2.245 193 G HA2 -0.201 3.761 3.960 0.003 0.000 0.264 193 G HA3 -0.201 3.761 3.960 0.003 0.000 0.264 193 G C 0.007 174.970 174.900 0.105 0.000 0.985 193 G CA 0.030 45.155 45.100 0.042 0.000 0.625 193 G HN 0.678 nan 8.290 nan 0.000 0.536 194 Q N 1.252 121.166 119.800 0.191 0.000 2.293 194 Q HA 0.491 4.833 4.340 0.003 0.000 0.261 194 Q C -2.586 173.507 176.000 0.155 0.000 0.960 194 Q CA -2.264 53.625 55.803 0.143 0.000 0.882 194 Q CB 2.244 31.044 28.738 0.104 0.000 1.275 194 Q HN 0.320 nan 8.270 nan 0.000 0.445 195 P HA 0.024 nan 4.420 nan 0.000 0.268 195 P C -0.460 176.803 177.300 -0.061 0.000 1.208 195 P CA -0.430 62.694 63.100 0.040 0.000 0.777 195 P CB 0.601 32.316 31.700 0.026 0.000 0.875 196 L N 2.555 123.709 121.223 -0.114 0.000 2.342 196 L HA 0.268 4.609 4.340 0.003 0.000 0.285 196 L C 1.582 178.395 176.870 -0.096 0.000 1.095 196 L CA 0.219 54.944 54.840 -0.191 0.000 0.843 196 L CB -0.674 41.255 42.059 -0.216 0.000 1.201 196 L HN 0.518 nan 8.230 nan 0.000 0.445 197 G N 2.387 111.137 108.800 -0.083 0.000 2.518 197 G HA2 -0.092 3.870 3.960 0.003 0.000 0.284 197 G HA3 -0.092 3.870 3.960 0.003 0.000 0.284 197 G C 0.927 175.803 174.900 -0.039 0.000 1.362 197 G CA -0.145 44.927 45.100 -0.046 0.000 1.065 197 G HN 0.697 nan 8.290 nan 0.000 0.561 198 D N -0.257 120.129 120.400 -0.024 0.000 2.633 198 D HA -0.174 4.467 4.640 0.003 0.000 0.206 198 D C 2.047 178.336 176.300 -0.019 0.000 1.055 198 D CA 2.136 56.126 54.000 -0.016 0.000 0.903 198 D CB -0.501 40.294 40.800 -0.009 0.000 1.115 198 D HN 0.448 nan 8.370 nan 0.000 0.479 199 G N 0.692 109.481 108.800 -0.019 0.000 4.044 199 G HA2 0.132 4.094 3.960 0.003 0.000 0.297 199 G HA3 0.132 4.094 3.960 0.003 0.000 0.297 199 G C 0.204 175.085 174.900 -0.033 0.000 1.101 199 G CA -0.291 44.798 45.100 -0.018 0.000 0.884 199 G HN 0.175 nan 8.290 nan 0.000 0.538 200 Q N 0.446 120.210 119.800 -0.060 0.000 2.340 200 Q HA 0.508 4.850 4.340 0.003 0.000 0.249 200 Q C -0.043 175.864 176.000 -0.154 0.000 0.957 200 Q CA 0.138 55.881 55.803 -0.100 0.000 0.882 200 Q CB 1.739 30.402 28.738 -0.125 0.000 1.235 200 Q HN 0.614 nan 8.270 nan 0.000 0.439 201 I N -1.967 118.502 120.570 -0.170 0.000 3.074 201 I HA 0.425 4.597 4.170 0.003 0.000 0.310 201 I C -1.293 174.670 176.117 -0.255 0.000 1.153 201 I CA -1.285 59.901 61.300 -0.191 0.000 0.993 201 I CB 1.417 39.386 38.000 -0.052 0.000 1.237 201 I HN 0.411 nan 8.210 nan 0.000 0.443 202 Y N 1.025 121.325 120.300 0.000 0.000 2.335 202 Y HA 0.224 4.776 4.550 0.004 0.000 0.331 202 Y C 0.283 176.175 175.900 -0.014 0.000 1.094 202 Y CA 0.045 58.140 58.100 -0.008 0.000 1.253 202 Y CB 0.534 38.983 38.460 -0.017 0.000 1.203 202 Y HN 0.530 nan 8.280 nan 0.000 0.508 203 D N 1.760 122.254 120.400 0.155 0.000 2.382 203 D HA -0.004 4.638 4.640 0.003 0.000 0.259 203 D C 0.796 177.125 176.300 0.048 0.000 1.224 203 D CA 0.493 54.542 54.000 0.082 0.000 0.894 203 D CB 0.806 41.652 40.800 0.077 0.000 1.127 203 D HN 0.739 nan 8.370 nan 0.000 0.487 204 T N 0.191 114.746 114.554 0.002 0.000 2.964 204 T HA 0.040 4.392 4.350 0.003 0.000 0.250 204 T C 1.398 176.043 174.700 -0.091 0.000 0.982 204 T CA -0.279 61.780 62.100 -0.069 0.000 0.959 204 T CB -0.059 68.727 68.868 -0.138 0.000 1.141 204 T HN 0.108 nan 8.240 nan 0.000 0.494 205 N N 1.849 120.520 118.700 -0.048 0.000 2.120 205 N HA 0.043 4.785 4.740 0.003 0.000 0.188 205 N C 1.908 177.393 175.510 -0.042 0.000 1.024 205 N CA 1.143 54.173 53.050 -0.034 0.000 0.852 205 N CB -0.395 38.099 38.487 0.012 0.000 1.003 205 N HN 0.421 nan 8.380 nan 0.000 0.424 206 R N 0.575 121.065 120.500 -0.016 0.000 2.091 206 R HA -0.036 4.305 4.340 0.003 0.000 0.238 206 R C 2.131 178.434 176.300 0.004 0.000 1.136 206 R CA 0.899 56.998 56.100 -0.002 0.000 0.959 206 R CB -0.385 29.937 30.300 0.036 0.000 0.856 206 R HN 0.226 nan 8.270 nan 0.000 0.437 207 L N 0.017 121.228 121.223 -0.020 0.000 2.056 207 L HA -0.122 4.220 4.340 0.003 0.000 0.207 207 L C 2.264 179.099 176.870 -0.059 0.000 1.078 207 L CA 1.773 56.588 54.840 -0.041 0.000 0.749 207 L CB -0.648 41.365 42.059 -0.076 0.000 0.901 207 L HN 0.354 nan 8.230 nan 0.000 0.433 208 A N -0.448 122.318 122.820 -0.090 0.000 1.865 208 A HA -0.192 4.129 4.320 0.003 0.000 0.217 208 A C 2.219 179.684 177.584 -0.197 0.000 1.191 208 A CA 2.082 54.055 52.037 -0.106 0.000 0.623 208 A CB -0.982 17.970 19.000 -0.080 0.000 0.826 208 A HN 0.325 nan 8.150 nan 0.000 0.444 209 V N -0.348 119.417 119.914 -0.248 0.000 2.295 209 V HA -0.264 3.858 4.120 0.003 0.000 0.246 209 V C 2.556 178.467 176.094 -0.305 0.000 1.049 209 V CA 2.264 64.277 62.300 -0.479 0.000 1.024 209 V CB -0.987 30.611 31.823 -0.376 0.000 0.648 209 V HN 0.767 nan 8.190 nan 0.000 0.447 210 H N 0.254 119.194 119.070 -0.217 0.000 2.289 210 H HA -0.168 4.390 4.556 0.003 0.000 0.296 210 H C 2.206 177.454 175.328 -0.133 0.000 1.091 210 H CA 2.288 58.254 56.048 -0.138 0.000 1.274 210 H CB -0.367 29.342 29.762 -0.089 0.000 1.364 210 H HN 0.333 nan 8.280 nan 0.000 0.490 211 L N -0.342 120.918 121.223 0.060 0.000 2.042 211 L HA -0.228 4.113 4.340 0.003 0.000 0.210 211 L C 3.053 179.891 176.870 -0.054 0.000 1.076 211 L CA 1.381 56.214 54.840 -0.012 0.000 0.749 211 L CB -0.389 41.629 42.059 -0.069 0.000 0.893 211 L HN 0.276 nan 8.230 nan 0.000 0.432 212 M N -0.740 118.768 119.600 -0.153 0.000 2.132 212 M HA -0.197 4.284 4.480 0.003 0.000 0.263 212 M C 2.352 178.628 176.300 -0.040 0.000 1.065 212 M CA 1.691 56.897 55.300 -0.158 0.000 1.122 212 M CB -0.404 32.001 32.600 -0.326 0.000 1.365 212 M HN 0.231 nan 8.290 nan 0.000 0.411 213 L N -0.046 121.137 121.223 -0.066 0.000 2.012 213 L HA -0.233 4.109 4.340 0.003 0.000 0.210 213 L C 2.446 179.333 176.870 0.029 0.000 1.073 213 L CA 1.462 56.320 54.840 0.030 0.000 0.748 213 L CB -0.724 41.312 42.059 -0.038 0.000 0.891 213 L HN 0.351 nan 8.230 nan 0.000 0.431 214 E N -0.419 119.804 120.200 0.038 0.000 2.051 214 E HA -0.235 4.117 4.350 0.003 0.000 0.192 214 E C 2.244 178.864 176.600 0.033 0.000 0.991 214 E CA 0.984 57.416 56.400 0.053 0.000 0.799 214 E CB -0.082 29.678 29.700 0.100 0.000 0.748 214 E HN 0.446 nan 8.360 nan 0.000 0.449 215 Q N 0.184 119.994 119.800 0.016 0.000 2.291 215 Q HA -0.064 4.278 4.340 0.003 0.000 0.206 215 Q C 2.067 178.079 176.000 0.021 0.000 0.976 215 Q CA 0.762 56.569 55.803 0.008 0.000 0.875 215 Q CB -0.061 28.663 28.738 -0.024 0.000 0.927 215 Q HN 0.355 nan 8.270 nan 0.000 0.450 216 L N -0.971 120.268 121.223 0.027 0.000 2.599 216 L HA 0.101 4.443 4.340 0.003 0.000 0.230 216 L C 1.079 177.967 176.870 0.029 0.000 1.141 216 L CA 0.483 55.338 54.840 0.026 0.000 0.877 216 L CB -0.117 41.966 42.059 0.040 0.000 1.009 216 L HN 0.322 nan 8.230 nan 0.000 0.447 217 G N -0.867 107.955 108.800 0.036 0.000 2.143 217 G HA2 -0.255 3.707 3.960 0.003 0.000 0.249 217 G HA3 -0.255 3.707 3.960 0.003 0.000 0.249 217 G C 0.261 175.178 174.900 0.029 0.000 0.981 217 G CA -0.040 45.082 45.100 0.037 0.000 0.665 217 G HN 0.319 nan 8.290 nan 0.000 0.528 218 C N 0.291 119.607 119.300 0.027 0.000 2.520 218 C HA 0.563 5.024 4.460 0.003 0.000 0.376 218 C C 0.961 175.958 174.990 0.011 0.000 1.268 218 C CA -0.438 58.592 59.018 0.020 0.000 2.414 218 C CB 1.243 28.998 27.740 0.025 0.000 2.521 218 C HN 0.532 nan 8.230 nan 0.000 0.618 219 E N 1.069 121.273 120.200 0.006 0.000 2.089 219 E HA 0.380 4.732 4.350 0.003 0.000 0.284 219 E C -1.123 175.461 176.600 -0.027 0.000 1.023 219 E CA -0.153 56.247 56.400 0.000 0.000 0.819 219 E CB 0.736 30.441 29.700 0.009 0.000 1.076 219 E HN 0.501 nan 8.360 nan 0.000 0.396 220 V N 6.415 126.291 119.914 -0.063 0.000 2.465 220 V HA 0.286 4.408 4.120 0.003 0.000 0.279 220 V C 0.228 176.251 176.094 -0.119 0.000 1.045 220 V CA -0.434 61.769 62.300 -0.161 0.000 0.938 220 V CB 1.201 32.766 31.823 -0.429 0.000 0.986 220 V HN 0.606 nan 8.190 nan 0.000 0.467 221 I N 4.568 125.081 120.570 -0.094 0.000 2.371 221 I HA 0.315 4.487 4.170 0.003 0.000 0.282 221 I C 0.194 176.291 176.117 -0.033 0.000 1.031 221 I CA 0.044 61.324 61.300 -0.035 0.000 1.180 221 I CB 0.758 38.758 38.000 0.001 0.000 1.336 221 I HN 0.619 nan 8.210 nan 0.000 0.467 222 N N 5.653 124.344 118.700 -0.015 0.000 2.420 222 N HA 0.209 4.951 4.740 0.003 0.000 0.249 222 N C 0.431 175.987 175.510 0.078 0.000 1.033 222 N CA -0.511 52.564 53.050 0.041 0.000 0.944 222 N CB 0.775 39.348 38.487 0.144 0.000 1.113 222 N HN 0.468 nan 8.380 nan 0.000 0.502 223 L N 3.087 124.375 121.223 0.109 0.000 2.592 223 L HA 0.333 4.674 4.340 0.003 0.000 0.227 223 L C 1.569 178.484 176.870 0.075 0.000 1.127 223 L CA 0.491 55.378 54.840 0.078 0.000 0.884 223 L CB -1.565 40.528 42.059 0.057 0.000 1.065 223 L HN 0.848 nan 8.230 nan 0.000 0.457 224 G N 0.520 109.385 108.800 0.108 0.000 2.569 224 G HA2 -0.305 3.657 3.960 0.003 0.000 0.259 224 G HA3 -0.305 3.657 3.960 0.003 0.000 0.259 224 G C 0.166 175.132 174.900 0.111 0.000 1.263 224 G CA -0.164 44.993 45.100 0.095 0.000 0.928 224 G HN 0.150 nan 8.290 nan 0.000 0.572 225 I N 1.527 122.145 120.570 0.081 0.000 2.352 225 I HA 0.258 4.430 4.170 0.003 0.000 0.290 225 I C 0.388 176.534 176.117 0.047 0.000 1.036 225 I CA -0.650 60.700 61.300 0.083 0.000 1.336 225 I CB 0.781 38.824 38.000 0.071 0.000 1.407 225 I HN 0.220 nan 8.210 nan 0.000 0.497 226 I N 6.606 127.200 120.570 0.041 0.000 2.395 226 I HA 0.263 4.435 4.170 0.003 0.000 0.289 226 I C 0.797 176.940 176.117 0.044 0.000 1.023 226 I CA -0.494 60.795 61.300 -0.018 0.000 1.350 226 I CB 0.616 38.530 38.000 -0.144 0.000 1.409 226 I HN 0.571 nan 8.210 nan 0.000 0.507 227 R N 3.538 124.061 120.500 0.039 0.000 2.679 227 R HA 0.035 4.377 4.340 0.003 0.000 0.268 227 R C -0.314 176.051 176.300 0.110 0.000 1.044 227 R CA -0.530 55.606 56.100 0.059 0.000 1.105 227 R CB 0.401 30.721 30.300 0.035 0.000 0.989 227 R HN 0.399 nan 8.270 nan 0.000 0.447 228 D N 1.867 122.339 120.400 0.120 0.000 2.662 228 D HA -0.013 4.628 4.640 0.003 0.000 0.228 228 D C -0.701 175.603 176.300 0.006 0.000 1.090 228 D CA 0.938 55.061 54.000 0.204 0.000 1.118 228 D CB -0.305 40.587 40.800 0.153 0.000 1.129 228 D HN 0.384 nan 8.370 nan 0.000 0.472 229 D N 0.756 121.186 120.400 0.051 0.000 2.936 229 D HA 0.107 4.749 4.640 0.003 0.000 0.238 229 D C -2.031 174.304 176.300 0.058 0.000 1.248 229 D CA -1.749 52.206 54.000 -0.075 0.000 0.903 229 D CB 2.807 43.618 40.800 0.019 0.000 1.544 229 D HN -0.108 nan 8.370 nan 0.000 0.543 230 P HA -0.201 nan 4.420 nan 0.000 0.217 230 P C 1.185 178.457 177.300 -0.047 0.000 1.151 230 P CA 1.279 64.406 63.100 0.045 0.000 0.849 230 P CB 0.174 31.781 31.700 -0.154 0.000 0.787 231 H N -0.477 118.610 119.070 0.029 0.000 2.363 231 H HA 0.086 4.643 4.556 0.002 0.000 0.301 231 H C 2.106 177.443 175.328 0.015 0.000 1.074 231 H CA 1.447 57.505 56.048 0.015 0.000 1.354 231 H CB -0.516 29.241 29.762 -0.008 0.000 1.397 231 H HN 0.127 nan 8.280 nan 0.000 0.516 232 A N 1.527 124.430 122.820 0.138 0.000 1.873 232 A HA -0.071 4.251 4.320 0.003 0.000 0.215 232 A C 2.596 180.187 177.584 0.013 0.000 1.186 232 A CA 0.653 52.724 52.037 0.056 0.000 0.616 232 A CB -0.800 18.224 19.000 0.040 0.000 0.823 232 A HN 0.261 nan 8.150 nan 0.000 0.442 233 L N -0.837 120.431 121.223 0.075 0.000 2.046 233 L HA -0.182 4.160 4.340 0.003 0.000 0.208 233 L C 2.833 179.795 176.870 0.153 0.000 1.077 233 L CA 2.039 56.930 54.840 0.086 0.000 0.747 233 L CB -0.416 41.780 42.059 0.228 0.000 0.896 233 L HN 0.528 nan 8.230 nan 0.000 0.432 234 R N -0.333 120.240 120.500 0.123 0.000 2.092 234 R HA -0.155 4.186 4.340 0.003 0.000 0.231 234 R C 2.231 178.581 176.300 0.083 0.000 1.119 234 R CA 1.376 57.536 56.100 0.101 0.000 0.970 234 R CB -0.164 30.145 30.300 0.015 0.000 0.864 234 R HN 0.398 nan 8.270 nan 0.000 0.440 235 A N 0.714 123.557 122.820 0.038 0.000 1.902 235 A HA -0.080 4.241 4.320 0.003 0.000 0.217 235 A C 2.354 179.915 177.584 -0.039 0.000 1.181 235 A CA 1.581 53.623 52.037 0.010 0.000 0.623 235 A CB -0.788 18.216 19.000 0.007 0.000 0.818 235 A HN 0.528 nan 8.150 nan 0.000 0.443 236 A N -1.061 121.674 122.820 -0.141 0.000 1.883 236 A HA -0.054 4.267 4.320 0.003 0.000 0.217 236 A C 2.010 179.438 177.584 -0.260 0.000 1.186 236 A CA 1.565 53.394 52.037 -0.347 0.000 0.624 236 A CB -0.809 17.705 19.000 -0.809 0.000 0.822 236 A HN 0.473 nan 8.150 nan 0.000 0.444 237 F N -0.181 119.679 119.950 -0.149 0.000 2.095 237 F HA -0.165 4.364 4.527 0.002 0.000 0.298 237 F C 2.199 178.003 175.800 0.007 0.000 1.104 237 F CA 1.794 59.801 58.000 0.013 0.000 1.232 237 F CB -0.315 38.675 39.000 -0.016 0.000 0.987 237 F HN 0.117 nan 8.300 nan 0.000 0.475 238 I N -0.263 120.401 120.570 0.157 0.000 2.226 238 I HA -0.273 3.899 4.170 0.003 0.000 0.245 238 I C 2.409 178.558 176.117 0.052 0.000 1.100 238 I CA 1.525 62.873 61.300 0.081 0.000 1.374 238 I CB -0.361 37.665 38.000 0.044 0.000 1.057 238 I HN 0.117 nan 8.210 nan 0.000 0.413 239 E N 1.606 121.824 120.200 0.030 0.000 2.028 239 E HA -0.203 4.148 4.350 0.003 0.000 0.191 239 E C 2.124 178.745 176.600 0.036 0.000 0.988 239 E CA 1.854 58.264 56.400 0.016 0.000 0.799 239 E CB -0.353 29.340 29.700 -0.012 0.000 0.755 239 E HN 0.358 nan 8.360 nan 0.000 0.447 240 A N 0.768 123.622 122.820 0.056 0.000 1.859 240 A HA -0.289 4.033 4.320 0.003 0.000 0.217 240 A C 2.231 179.867 177.584 0.087 0.000 1.198 240 A CA 2.355 54.450 52.037 0.095 0.000 0.629 240 A CB -1.428 17.682 19.000 0.184 0.000 0.830 240 A HN 0.540 nan 8.150 nan 0.000 0.446 241 D N -0.359 120.105 120.400 0.107 0.000 2.190 241 D HA -0.171 4.471 4.640 0.003 0.000 0.200 241 D C 2.032 178.352 176.300 0.033 0.000 0.992 241 D CA 2.003 56.048 54.000 0.076 0.000 0.854 241 D CB -0.036 40.813 40.800 0.082 0.000 0.936 241 D HN 0.511 nan 8.370 nan 0.000 0.462 242 S N -1.488 114.231 115.700 0.031 0.000 2.527 242 S HA -0.032 4.439 4.470 0.003 0.000 0.222 242 S C 1.428 176.037 174.600 0.014 0.000 0.985 242 S CA 0.291 58.499 58.200 0.014 0.000 0.921 242 S CB 0.075 63.282 63.200 0.012 0.000 0.772 242 S HN 0.301 nan 8.310 nan 0.000 0.529 243 Q N 0.174 119.988 119.800 0.023 0.000 2.164 243 Q HA 0.556 4.898 4.340 0.003 0.000 0.226 243 Q C 0.143 176.157 176.000 0.024 0.000 0.813 243 Q CA 0.252 56.067 55.803 0.020 0.000 0.978 243 Q CB 1.395 30.145 28.738 0.020 0.000 1.149 243 Q HN 0.619 nan 8.270 nan 0.000 0.489 244 A N 0.255 123.094 122.820 0.031 0.000 2.532 244 A HA 0.489 4.811 4.320 0.003 0.000 0.290 244 A C -0.431 177.178 177.584 0.041 0.000 1.143 244 A CA -0.528 51.531 52.037 0.036 0.000 0.728 244 A CB 1.135 20.160 19.000 0.042 0.000 1.317 244 A HN -0.082 nan 8.150 nan 0.000 0.414 245 D N -0.627 119.808 120.400 0.058 0.000 2.301 245 D HA 0.178 4.819 4.640 0.003 0.000 0.206 245 D C 0.038 176.420 176.300 0.136 0.000 0.979 245 D CA 1.240 55.291 54.000 0.084 0.000 0.874 245 D CB 0.596 41.459 40.800 0.105 0.000 0.968 245 D HN 0.190 nan 8.370 nan 0.000 0.510 246 V N 1.228 121.217 119.914 0.125 0.000 2.760 246 V HA 0.329 4.450 4.120 0.003 0.000 0.309 246 V C -0.336 175.815 176.094 0.095 0.000 1.077 246 V CA -0.880 61.510 62.300 0.151 0.000 0.910 246 V CB 2.988 34.899 31.823 0.146 0.000 1.008 246 V HN -0.266 nan 8.190 nan 0.000 0.424 247 V N 5.482 125.459 119.914 0.106 0.000 2.448 247 V HA 0.581 4.703 4.120 0.003 0.000 0.295 247 V C -0.451 175.614 176.094 -0.049 0.000 1.025 247 V CA -0.383 61.962 62.300 0.074 0.000 0.859 247 V CB 1.793 33.748 31.823 0.220 0.000 0.988 247 V HN 0.690 nan 8.190 nan 0.000 0.431 248 I N 3.353 123.796 120.570 -0.212 0.000 2.447 248 I HA 0.370 4.542 4.170 0.003 0.000 0.287 248 I C 0.061 175.875 176.117 -0.505 0.000 1.023 248 I CA -0.369 60.743 61.300 -0.312 0.000 1.083 248 I CB 2.169 40.089 38.000 -0.135 0.000 1.245 248 I HN 0.609 nan 8.210 nan 0.000 0.434 249 S N 3.699 119.145 115.700 -0.423 0.000 2.411 249 S HA 0.129 4.600 4.470 0.003 0.000 0.294 249 S C 1.158 175.666 174.600 -0.153 0.000 1.115 249 S CA -0.519 57.462 58.200 -0.364 0.000 1.071 249 S CB 0.709 63.909 63.200 0.000 0.000 0.967 249 S HN 0.737 nan 8.310 nan 0.000 0.488 250 S N 3.469 119.094 115.700 -0.125 0.000 2.603 250 S HA 0.415 4.886 4.470 0.003 0.000 0.229 250 S C 0.963 175.580 174.600 0.028 0.000 0.972 250 S CA 0.044 58.224 58.200 -0.034 0.000 0.935 250 S CB -0.706 62.471 63.200 -0.039 0.000 0.769 250 S HN 1.572 nan 8.310 nan 0.000 0.536 251 G N -1.820 107.007 108.800 0.046 0.000 2.307 251 G HA2 0.514 4.476 3.960 0.003 0.000 0.348 251 G HA3 0.514 4.476 3.960 0.003 0.000 0.348 251 G C 0.214 175.179 174.900 0.108 0.000 1.603 251 G CA -0.186 44.965 45.100 0.085 0.000 0.961 251 G HN 1.296 nan 8.290 nan 0.000 0.686 252 G N -1.365 107.505 108.800 0.116 0.000 2.376 252 G HA2 0.001 3.963 3.960 0.003 0.000 0.208 252 G HA3 0.001 3.963 3.960 0.003 0.000 0.208 252 G C 0.611 175.587 174.900 0.126 0.000 1.032 252 G CA 0.656 45.829 45.100 0.122 0.000 0.641 252 G HN 1.843 nan 8.290 nan 0.000 0.503 253 V N 2.179 122.199 119.914 0.176 0.000 2.732 253 V HA 0.597 4.719 4.120 0.003 0.000 0.297 253 V C 1.402 177.595 176.094 0.165 0.000 1.060 253 V CA 0.433 62.854 62.300 0.202 0.000 1.038 253 V CB 1.581 33.632 31.823 0.380 0.000 1.003 253 V HN 0.817 nan 8.190 nan 0.000 0.481 254 S N 2.877 118.637 115.700 0.100 0.000 2.558 254 S HA 0.081 4.553 4.470 0.003 0.000 0.288 254 S C 0.502 175.245 174.600 0.239 0.000 1.318 254 S CA 0.072 58.325 58.200 0.088 0.000 1.056 254 S CB 0.745 63.923 63.200 -0.037 0.000 0.853 254 S HN 1.081 nan 8.310 nan 0.000 0.505 255 V N 2.124 122.164 119.914 0.210 0.000 3.070 255 V HA 0.712 4.834 4.120 0.003 0.000 0.345 255 V C 1.056 177.346 176.094 0.325 0.000 1.403 255 V CA 0.345 62.841 62.300 0.328 0.000 1.155 255 V CB -0.429 31.530 31.823 0.226 0.000 1.140 255 V HN 1.109 nan 8.190 nan 0.000 0.505 256 G N 0.254 109.066 108.800 0.021 0.000 4.205 256 G HA2 -0.074 3.888 3.960 0.003 0.000 0.200 256 G HA3 -0.074 3.888 3.960 0.003 0.000 0.200 256 G C -0.014 174.721 174.900 -0.274 0.000 1.190 256 G CA -0.115 44.867 45.100 -0.197 0.000 0.861 256 G HN 0.438 nan 8.290 nan 0.000 0.326 257 E N 1.541 121.664 120.200 -0.127 0.000 2.414 257 E HA 0.532 4.884 4.350 0.003 0.000 0.263 257 E C 0.690 177.202 176.600 -0.147 0.000 1.000 257 E CA 0.418 56.757 56.400 -0.101 0.000 0.914 257 E CB 1.087 30.767 29.700 -0.034 0.000 0.948 257 E HN 0.640 nan 8.360 nan 0.000 0.444 258 A N 4.467 127.212 122.820 -0.126 0.000 2.440 258 A HA 0.385 4.706 4.320 0.003 0.000 0.251 258 A C -0.517 177.027 177.584 -0.067 0.000 1.089 258 A CA 0.102 52.068 52.037 -0.120 0.000 0.779 258 A CB 0.091 19.037 19.000 -0.089 0.000 1.022 258 A HN 0.709 nan 8.150 nan 0.000 0.492 259 D N -0.596 119.762 120.400 -0.070 0.000 2.764 259 D HA 0.122 4.764 4.640 0.003 0.000 0.293 259 D C 0.149 176.434 176.300 -0.026 0.000 1.287 259 D CA -0.048 53.948 54.000 -0.007 0.000 0.768 259 D CB -0.236 40.557 40.800 -0.012 0.000 1.288 259 D HN 0.491 nan 8.370 nan 0.000 0.426 260 Y N -1.321 118.962 120.300 -0.029 0.000 2.315 260 Y HA -0.096 4.456 4.550 0.002 0.000 0.288 260 Y C 2.132 178.008 175.900 -0.040 0.000 1.154 260 Y CA 1.730 59.807 58.100 -0.040 0.000 1.229 260 Y CB -1.092 37.347 38.460 -0.034 0.000 0.980 260 Y HN 0.508 nan 8.280 nan 0.000 0.540 261 T N -1.598 112.491 114.554 -0.774 0.000 2.857 261 T HA -0.148 4.203 4.350 0.003 0.000 0.266 261 T C 1.778 176.320 174.700 -0.265 0.000 1.048 261 T CA 1.395 63.178 62.100 -0.527 0.000 1.139 261 T CB -0.367 68.236 68.868 -0.441 0.000 0.874 261 T HN 0.461 nan 8.240 nan 0.000 0.455 262 K N 0.930 121.203 120.400 -0.212 0.000 2.097 262 K HA -0.101 4.220 4.320 0.003 0.000 0.205 262 K C 2.635 179.152 176.600 -0.139 0.000 1.050 262 K CA 1.767 57.958 56.287 -0.160 0.000 0.938 262 K CB -0.422 31.940 32.500 -0.230 0.000 0.718 262 K HN 0.625 nan 8.250 nan 0.000 0.442 263 T N -1.124 113.351 114.554 -0.131 0.000 2.904 263 T HA -0.052 4.300 4.350 0.003 0.000 0.267 263 T C 1.865 176.476 174.700 -0.149 0.000 1.059 263 T CA 0.903 62.938 62.100 -0.108 0.000 1.137 263 T CB -0.276 68.553 68.868 -0.066 0.000 0.879 263 T HN 0.162 nan 8.240 nan 0.000 0.467 264 I N 0.600 121.052 120.570 -0.196 0.000 2.286 264 I HA -0.061 4.110 4.170 0.003 0.000 0.248 264 I C 2.620 178.478 176.117 -0.431 0.000 1.115 264 I CA 1.015 62.148 61.300 -0.278 0.000 1.392 264 I CB -0.341 37.486 38.000 -0.289 0.000 1.065 264 I HN 0.243 nan 8.210 nan 0.000 0.418 265 L N 0.317 121.261 121.223 -0.465 0.000 1.976 265 L HA -0.264 4.078 4.340 0.003 0.000 0.209 265 L C 2.524 179.217 176.870 -0.296 0.000 1.071 265 L CA 1.741 56.275 54.840 -0.510 0.000 0.746 265 L CB -0.445 41.435 42.059 -0.298 0.000 0.890 265 L HN 0.209 nan 8.230 nan 0.000 0.432 266 E N -0.543 119.573 120.200 -0.139 0.000 2.171 266 E HA -0.289 4.063 4.350 0.003 0.000 0.197 266 E C 2.034 178.563 176.600 -0.119 0.000 0.997 266 E CA 1.377 57.729 56.400 -0.080 0.000 0.810 266 E CB 0.043 29.726 29.700 -0.029 0.000 0.738 266 E HN 0.388 nan 8.360 nan 0.000 0.467 267 E N 0.176 120.285 120.200 -0.153 0.000 2.112 267 E HA -0.136 4.215 4.350 0.003 0.000 0.190 267 E C 1.681 178.188 176.600 -0.155 0.000 0.979 267 E CA 0.643 56.961 56.400 -0.137 0.000 0.814 267 E CB 0.114 29.735 29.700 -0.133 0.000 0.762 267 E HN 0.281 nan 8.360 nan 0.000 0.460 268 L N -0.120 120.969 121.223 -0.222 0.000 2.558 268 L HA 0.270 4.611 4.340 0.003 0.000 0.225 268 L C 1.058 177.812 176.870 -0.193 0.000 1.128 268 L CA 0.290 55.007 54.840 -0.206 0.000 0.868 268 L CB 0.641 42.545 42.059 -0.258 0.000 1.006 268 L HN 0.119 nan 8.230 nan 0.000 0.454 269 G N -0.831 107.846 108.800 -0.204 0.000 2.430 269 G HA2 0.266 4.228 3.960 0.003 0.000 0.300 269 G HA3 0.266 4.228 3.960 0.003 0.000 0.300 269 G C -1.597 173.204 174.900 -0.165 0.000 1.330 269 G CA -0.671 44.318 45.100 -0.185 0.000 0.813 269 G HN -0.121 nan 8.290 nan 0.000 0.487 270 E N 0.558 120.667 120.200 -0.151 0.000 1.993 270 E HA 0.432 4.783 4.350 0.003 0.000 0.271 270 E C -0.778 175.719 176.600 -0.171 0.000 1.008 270 E CA -0.298 56.032 56.400 -0.116 0.000 0.814 270 E CB 1.570 31.229 29.700 -0.069 0.000 1.098 270 E HN 0.269 nan 8.360 nan 0.000 0.407 271 I N 1.825 122.259 120.570 -0.226 0.000 2.404 271 I HA 0.336 4.508 4.170 0.003 0.000 0.293 271 I C 0.145 175.939 176.117 -0.538 0.000 0.992 271 I CA -0.639 60.407 61.300 -0.423 0.000 1.149 271 I CB 1.865 39.537 38.000 -0.547 0.000 1.315 271 I HN 0.391 nan 8.210 nan 0.000 0.446 272 A N 6.030 128.499 122.820 -0.584 0.000 2.306 272 A HA 0.765 5.087 4.320 0.003 0.000 0.314 272 A C -0.996 176.088 177.584 -0.833 0.000 1.164 272 A CA -0.277 51.473 52.037 -0.477 0.000 0.822 272 A CB 0.161 18.996 19.000 -0.276 0.000 1.130 272 A HN 0.497 nan 8.150 nan 0.000 0.496 273 F N 2.511 122.399 119.950 -0.103 0.000 2.311 273 F HA 0.340 4.869 4.527 0.003 0.000 0.371 273 F C -0.371 175.545 175.800 0.193 0.000 1.083 273 F CA -0.403 57.582 58.000 -0.025 0.000 1.113 273 F CB 0.769 39.784 39.000 0.024 0.000 1.349 273 F HN 0.523 nan 8.300 nan 0.000 0.470 274 W N 2.791 124.220 121.300 0.215 0.000 2.303 274 W HA 0.463 5.124 4.660 0.003 0.000 0.334 274 W C -0.129 176.507 176.519 0.196 0.000 1.197 274 W CA -1.519 55.945 57.345 0.198 0.000 1.262 274 W CB 0.753 30.338 29.460 0.209 0.000 1.153 274 W HN 0.214 nan 8.180 nan 0.000 0.596 275 K N 3.147 123.776 120.400 0.382 0.000 2.527 275 K HA 0.314 4.636 4.320 0.003 0.000 0.240 275 K C -0.875 175.830 176.600 0.175 0.000 0.989 275 K CA -1.017 55.416 56.287 0.244 0.000 0.985 275 K CB 1.253 33.861 32.500 0.179 0.000 1.221 275 K HN -0.015 nan 8.250 nan 0.000 0.458 276 L N 1.784 123.113 121.223 0.177 0.000 2.326 276 L HA 0.232 4.574 4.340 0.003 0.000 0.278 276 L C 0.776 177.688 176.870 0.071 0.000 1.092 276 L CA -0.106 54.792 54.840 0.098 0.000 0.810 276 L CB 0.997 43.116 42.059 0.100 0.000 1.153 276 L HN 0.668 nan 8.230 nan 0.000 0.439 277 A N 6.381 129.223 122.820 0.037 0.000 3.063 277 A HA 0.469 4.791 4.320 0.003 0.000 0.263 277 A C 0.117 177.733 177.584 0.054 0.000 1.736 277 A CA -0.110 51.949 52.037 0.037 0.000 1.408 277 A CB -1.299 17.708 19.000 0.012 0.000 1.108 277 A HN 0.637 nan 8.150 nan 0.000 0.621 278 I N -2.969 117.650 120.570 0.081 0.000 3.191 278 I HA 0.800 4.972 4.170 0.003 0.000 0.313 278 I C -0.945 175.243 176.117 0.119 0.000 1.193 278 I CA -1.303 60.071 61.300 0.123 0.000 0.968 278 I CB 2.454 40.544 38.000 0.150 0.000 1.262 278 I HN 0.108 nan 8.210 nan 0.000 0.456 279 K N 3.444 123.936 120.400 0.154 0.000 2.550 279 K HA 0.554 4.876 4.320 0.003 0.000 0.252 279 K C -3.048 173.649 176.600 0.163 0.000 0.943 279 K CA -1.488 54.876 56.287 0.128 0.000 0.806 279 K CB 2.835 35.390 32.500 0.091 0.000 1.289 279 K HN 0.446 nan 8.250 nan 0.000 0.435 280 P HA 0.252 nan 4.420 nan 0.000 0.274 280 P C 0.259 177.625 177.300 0.109 0.000 1.256 280 P CA 0.649 63.819 63.100 0.116 0.000 0.795 280 P CB 0.698 32.470 31.700 0.120 0.000 1.038 281 G N 0.138 109.008 108.800 0.116 0.000 2.587 281 G HA2 -0.105 3.857 3.960 0.003 0.000 0.212 281 G HA3 -0.105 3.857 3.960 0.003 0.000 0.212 281 G C -0.024 174.947 174.900 0.119 0.000 1.327 281 G CA 0.649 45.821 45.100 0.120 0.000 0.898 281 G HN 0.908 nan 8.290 nan 0.000 0.551 282 K N -2.302 118.179 120.400 0.136 0.000 2.190 282 K HA 0.048 4.370 4.320 0.003 0.000 0.173 282 K C -2.591 174.132 176.600 0.205 0.000 2.581 282 K CA 0.764 57.140 56.287 0.148 0.000 1.287 282 K CB -0.566 32.012 32.500 0.130 0.000 2.848 282 K HN 0.707 nan 8.250 nan 0.000 0.385 283 P HA 0.287 nan 4.420 nan 0.000 0.278 283 P C -1.210 176.311 177.300 0.370 0.000 1.238 283 P CA 0.230 63.497 63.100 0.278 0.000 0.794 283 P CB 0.571 32.405 31.700 0.224 0.000 0.955 284 F N 1.529 121.596 119.950 0.196 0.000 2.623 284 F HA 0.564 5.093 4.527 0.002 0.000 0.323 284 F C -1.569 174.251 175.800 0.034 0.000 1.158 284 F CA -0.777 57.301 58.000 0.130 0.000 1.030 284 F CB 1.294 40.393 39.000 0.164 0.000 1.280 284 F HN 0.440 nan 8.300 nan 0.000 0.474 285 A N 5.736 128.175 122.820 -0.635 0.000 2.290 285 A HA 0.790 5.112 4.320 0.003 0.000 0.310 285 A C -1.880 175.068 177.584 -1.060 0.000 1.202 285 A CA -0.377 51.251 52.037 -0.681 0.000 0.837 285 A CB 0.515 19.406 19.000 -0.183 0.000 1.139 285 A HN 0.866 nan 8.150 nan 0.000 0.509 286 F N 1.389 120.702 119.950 -1.063 0.000 2.615 286 F HA 0.650 5.178 4.527 0.002 0.000 0.312 286 F C 0.009 175.521 175.800 -0.480 0.000 1.119 286 F CA 0.626 58.132 58.000 -0.824 0.000 0.979 286 F CB 1.727 40.172 39.000 -0.925 0.000 1.266 286 F HN 1.167 nan 8.300 nan 0.000 0.444 287 G N 4.045 112.221 108.800 -1.040 0.000 2.322 287 G HA2 0.289 4.250 3.960 0.003 0.000 0.295 287 G HA3 0.289 4.250 3.960 0.003 0.000 0.295 287 G C -2.349 172.346 174.900 -0.342 0.000 1.369 287 G CA -1.068 43.681 45.100 -0.585 0.000 0.821 287 G HN 0.530 nan 8.290 nan 0.000 0.536 288 K N 0.616 120.865 120.400 -0.253 0.000 2.227 288 K HA 0.558 4.880 4.320 0.003 0.000 0.280 288 K C 0.182 176.590 176.600 -0.319 0.000 1.041 288 K CA -0.357 55.648 56.287 -0.469 0.000 0.905 288 K CB 1.076 33.242 32.500 -0.558 0.000 1.068 288 K HN 0.413 nan 8.250 nan 0.000 0.470 289 L N 0.875 121.922 121.223 -0.294 0.000 2.751 289 L HA 0.202 4.543 4.340 0.003 0.000 0.241 289 L C 1.902 178.645 176.870 -0.212 0.000 1.146 289 L CA -0.344 54.380 54.840 -0.193 0.000 0.879 289 L CB 0.433 42.442 42.059 -0.083 0.000 1.687 289 L HN 0.633 nan 8.230 nan 0.000 0.527 290 S N -0.181 115.431 115.700 -0.146 0.000 2.355 290 S HA -0.056 4.415 4.470 0.003 0.000 0.222 290 S C 0.978 175.488 174.600 -0.150 0.000 1.031 290 S CA 1.199 59.319 58.200 -0.133 0.000 0.993 290 S CB -0.115 63.033 63.200 -0.087 0.000 0.859 290 S HN 0.546 nan 8.310 nan 0.000 0.453 291 N N 0.593 119.212 118.700 -0.135 0.000 2.299 291 N HA 0.181 4.923 4.740 0.003 0.000 0.246 291 N C -0.768 174.647 175.510 -0.159 0.000 1.254 291 N CA 0.116 53.086 53.050 -0.133 0.000 0.879 291 N CB 1.208 39.652 38.487 -0.071 0.000 1.214 291 N HN 0.388 nan 8.380 nan 0.000 0.510 292 S N -1.038 114.524 115.700 -0.230 0.000 2.643 292 S HA 0.532 5.004 4.470 0.003 0.000 0.270 292 S C -1.784 172.606 174.600 -0.350 0.000 1.166 292 S CA -0.899 57.175 58.200 -0.211 0.000 0.815 292 S CB 1.356 64.541 63.200 -0.025 0.000 1.139 292 S HN 0.182 nan 8.310 nan 0.000 0.472 293 W N 0.910 122.200 121.300 -0.016 0.000 2.438 293 W HA 0.687 5.348 4.660 0.002 0.000 0.324 293 W C -0.578 175.914 176.519 -0.044 0.000 1.119 293 W CA -0.567 56.724 57.345 -0.091 0.000 1.221 293 W CB 1.304 30.744 29.460 -0.033 0.000 1.253 293 W HN 0.620 nan 8.180 nan 0.000 0.555 294 F N 3.507 123.434 119.950 -0.038 0.000 2.469 294 F HA 0.654 5.182 4.527 0.002 0.000 0.332 294 F C -0.838 174.890 175.800 -0.119 0.000 1.103 294 F CA -1.346 56.612 58.000 -0.069 0.000 0.979 294 F CB 0.773 39.719 39.000 -0.090 0.000 1.137 294 F HN 0.175 nan 8.300 nan 0.000 0.463 295 C N 4.623 123.293 119.300 -1.049 0.000 2.346 295 C HA 0.726 5.188 4.460 0.003 0.000 0.326 295 C C 0.365 174.634 174.990 -1.203 0.000 1.224 295 C CA -0.900 57.608 59.018 -0.850 0.000 1.408 295 C CB 0.465 28.139 27.740 -0.111 0.000 2.089 295 C HN 1.084 nan 8.230 nan 0.000 0.456 296 G N 3.866 111.958 108.800 -1.180 0.000 2.370 296 G HA2 0.632 4.593 3.960 0.003 0.000 0.317 296 G HA3 0.632 4.593 3.960 0.003 0.000 0.317 296 G C -0.742 174.073 174.900 -0.142 0.000 1.162 296 G CA -0.257 44.548 45.100 -0.492 0.000 0.922 296 G HN 0.690 nan 8.290 nan 0.000 0.454 297 L N 3.786 125.026 121.223 0.029 0.000 2.344 297 L HA 0.475 4.817 4.340 0.003 0.000 0.272 297 L C -1.714 175.251 176.870 0.159 0.000 1.035 297 L CA -2.155 52.787 54.840 0.170 0.000 0.807 297 L CB 2.295 44.455 42.059 0.169 0.000 1.237 297 L HN 0.336 nan 8.230 nan 0.000 0.442 298 P HA 0.019 nan 4.420 nan 0.000 0.272 298 P C 0.376 177.759 177.300 0.138 0.000 1.240 298 P CA -0.190 63.007 63.100 0.162 0.000 0.791 298 P CB 0.788 32.590 31.700 0.171 0.000 0.978 299 G N 1.065 109.939 108.800 0.122 0.000 2.421 299 G HA2 -0.161 3.801 3.960 0.003 0.000 0.217 299 G HA3 -0.161 3.801 3.960 0.003 0.000 0.217 299 G C 0.742 175.708 174.900 0.110 0.000 1.143 299 G CA 0.169 45.333 45.100 0.106 0.000 0.784 299 G HN 0.616 nan 8.290 nan 0.000 0.541 300 N N 1.140 119.915 118.700 0.124 0.000 2.411 300 N HA 0.135 4.876 4.740 0.003 0.000 0.261 300 N C -1.260 174.351 175.510 0.169 0.000 1.248 300 N CA -0.984 52.151 53.050 0.140 0.000 0.885 300 N CB 1.443 40.019 38.487 0.149 0.000 1.062 300 N HN -0.110 nan 8.380 nan 0.000 0.471 301 P HA -0.183 nan 4.420 nan 0.000 0.215 301 P C 1.111 178.671 177.300 0.433 0.000 1.157 301 P CA 0.877 64.112 63.100 0.225 0.000 0.868 301 P CB 0.191 31.969 31.700 0.130 0.000 0.788 302 V N -0.452 119.737 119.914 0.458 0.000 2.427 302 V HA -0.200 3.922 4.120 0.003 0.000 0.248 302 V C 2.357 178.653 176.094 0.337 0.000 1.051 302 V CA 2.258 64.840 62.300 0.470 0.000 1.048 302 V CB -1.433 30.561 31.823 0.284 0.000 0.666 302 V HN 0.150 nan 8.190 nan 0.000 0.456 303 S N 0.428 116.276 115.700 0.247 0.000 2.355 303 S HA -0.108 4.364 4.470 0.003 0.000 0.222 303 S C 2.271 176.984 174.600 0.189 0.000 1.031 303 S CA 1.342 59.656 58.200 0.190 0.000 0.993 303 S CB -0.492 62.807 63.200 0.165 0.000 0.859 303 S HN 0.637 nan 8.310 nan 0.000 0.453 304 A N 1.405 124.346 122.820 0.202 0.000 1.902 304 A HA -0.124 4.198 4.320 0.003 0.000 0.217 304 A C 2.336 180.049 177.584 0.215 0.000 1.181 304 A CA 2.110 54.262 52.037 0.193 0.000 0.623 304 A CB -1.387 17.707 19.000 0.157 0.000 0.818 304 A HN 0.465 nan 8.150 nan 0.000 0.443 305 T N 0.238 114.932 114.554 0.235 0.000 2.708 305 T HA -0.096 4.255 4.350 0.003 0.000 0.266 305 T C 1.854 176.693 174.700 0.232 0.000 1.037 305 T CA 1.245 63.470 62.100 0.207 0.000 1.146 305 T CB -0.291 68.637 68.868 0.099 0.000 0.865 305 T HN 0.288 nan 8.240 nan 0.000 0.435 306 L N 1.142 122.487 121.223 0.204 0.000 2.017 306 L HA -0.116 4.226 4.340 0.003 0.000 0.208 306 L C 2.432 179.288 176.870 -0.023 0.000 1.073 306 L CA 1.987 56.874 54.840 0.078 0.000 0.745 306 L CB -1.488 40.582 42.059 0.019 0.000 0.894 306 L HN 0.305 nan 8.230 nan 0.000 0.432 307 T N -0.002 114.557 114.554 0.008 0.000 2.720 307 T HA -0.257 4.094 4.350 0.003 0.000 0.268 307 T C 1.613 176.258 174.700 -0.093 0.000 1.037 307 T CA 1.834 63.878 62.100 -0.093 0.000 1.144 307 T CB -0.561 68.313 68.868 0.009 0.000 0.864 307 T HN 0.395 nan 8.240 nan 0.000 0.444 308 F N 0.657 120.588 119.950 -0.032 0.000 2.075 308 F HA -0.146 4.382 4.527 0.003 0.000 0.297 308 F C 2.208 177.987 175.800 -0.035 0.000 1.113 308 F CA 1.125 59.112 58.000 -0.021 0.000 1.218 308 F CB -0.529 38.486 39.000 0.025 0.000 0.984 308 F HN 0.141 nan 8.300 nan 0.000 0.472 309 Y N 0.822 121.151 120.300 0.047 0.000 2.165 309 Y HA -0.250 4.301 4.550 0.003 0.000 0.286 309 Y C 2.317 178.085 175.900 -0.220 0.000 1.155 309 Y CA 2.022 60.105 58.100 -0.028 0.000 1.164 309 Y CB -0.227 38.333 38.460 0.168 0.000 0.978 309 Y HN 0.143 nan 8.280 nan 0.000 0.513 310 Q N -0.878 118.840 119.800 -0.135 0.000 2.402 310 Q HA 0.098 4.439 4.340 0.003 0.000 0.206 310 Q C 1.811 177.610 176.000 -0.336 0.000 0.919 310 Q CA 0.733 56.372 55.803 -0.274 0.000 0.923 310 Q CB 0.733 29.169 28.738 -0.503 0.000 1.048 310 Q HN 0.533 nan 8.270 nan 0.000 0.515 311 L N -1.452 119.519 121.223 -0.420 0.000 2.588 311 L HA 0.073 4.414 4.340 0.003 0.000 0.194 311 L C 2.015 178.608 176.870 -0.462 0.000 1.070 311 L CA 0.230 54.777 54.840 -0.489 0.000 0.852 311 L CB 0.056 41.647 42.059 -0.780 0.000 1.199 311 L HN -0.138 nan 8.230 nan 0.000 0.486 312 V N 0.010 119.609 119.914 -0.525 0.000 2.379 312 V HA -0.270 3.852 4.120 0.003 0.000 0.245 312 V C 2.295 178.024 176.094 -0.609 0.000 1.044 312 V CA 1.797 63.792 62.300 -0.508 0.000 1.036 312 V CB -0.514 30.977 31.823 -0.554 0.000 0.664 312 V HN 0.473 nan 8.190 nan 0.000 0.453 313 Q N 0.615 119.919 119.800 -0.826 0.000 2.014 313 Q HA -0.201 4.140 4.340 0.003 0.000 0.207 313 Q C -0.130 175.656 176.000 -0.357 0.000 0.993 313 Q CA 2.777 58.226 55.803 -0.591 0.000 0.850 313 Q CB -0.985 27.392 28.738 -0.601 0.000 0.916 313 Q HN 0.536 nan 8.270 nan 0.000 0.417 314 P HA -0.140 nan 4.420 nan 0.000 0.223 314 P C 1.371 178.546 177.300 -0.208 0.000 1.151 314 P CA 0.888 63.850 63.100 -0.230 0.000 0.787 314 P CB -0.107 31.466 31.700 -0.212 0.000 0.788 315 L N -0.828 120.254 121.223 -0.235 0.000 2.072 315 L HA -0.054 4.287 4.340 0.003 0.000 0.205 315 L C 2.420 179.203 176.870 -0.145 0.000 1.079 315 L CA 1.540 56.260 54.840 -0.200 0.000 0.752 315 L CB -1.152 40.792 42.059 -0.191 0.000 0.906 315 L HN -0.220 nan 8.230 nan 0.000 0.436 316 L N -0.179 120.959 121.223 -0.143 0.000 2.093 316 L HA -0.137 4.205 4.340 0.003 0.000 0.208 316 L C 2.796 179.620 176.870 -0.077 0.000 1.085 316 L CA 1.023 55.812 54.840 -0.085 0.000 0.755 316 L CB -0.991 41.018 42.059 -0.083 0.000 0.904 316 L HN 0.414 nan 8.230 nan 0.000 0.435 317 A N 0.519 123.275 122.820 -0.107 0.000 1.908 317 A HA -0.282 4.040 4.320 0.003 0.000 0.218 317 A C 2.370 179.913 177.584 -0.068 0.000 1.181 317 A CA 2.224 54.209 52.037 -0.088 0.000 0.627 317 A CB -0.431 18.506 19.000 -0.105 0.000 0.818 317 A HN 0.347 nan 8.150 nan 0.000 0.445 318 K N -0.409 119.943 120.400 -0.079 0.000 2.057 318 K HA 0.036 4.358 4.320 0.003 0.000 0.206 318 K C 1.882 178.461 176.600 -0.035 0.000 1.050 318 K CA 1.149 57.399 56.287 -0.062 0.000 0.935 318 K CB -0.353 32.097 32.500 -0.083 0.000 0.715 318 K HN 0.403 nan 8.250 nan 0.000 0.439 319 L N 1.268 122.473 121.223 -0.031 0.000 2.079 319 L HA -0.201 4.141 4.340 0.003 0.000 0.210 319 L C 2.424 179.305 176.870 0.019 0.000 1.081 319 L CA 1.685 56.535 54.840 0.016 0.000 0.752 319 L CB -0.505 41.577 42.059 0.039 0.000 0.896 319 L HN 0.454 nan 8.230 nan 0.000 0.433 320 S N -0.904 114.795 115.700 -0.002 0.000 2.442 320 S HA -0.088 4.383 4.470 0.003 0.000 0.236 320 S C 1.616 176.213 174.600 -0.004 0.000 1.007 320 S CA 1.018 59.217 58.200 -0.002 0.000 0.965 320 S CB -0.041 63.149 63.200 -0.017 0.000 0.773 320 S HN 0.628 nan 8.310 nan 0.000 0.504 321 G N 0.992 109.789 108.800 -0.006 0.000 2.213 321 G HA2 -0.251 3.711 3.960 0.003 0.000 0.226 321 G HA3 -0.251 3.711 3.960 0.003 0.000 0.226 321 G C -0.040 174.851 174.900 -0.015 0.000 0.992 321 G CA -0.027 45.070 45.100 -0.005 0.000 0.632 321 G HN 0.679 nan 8.290 nan 0.000 0.511 322 N N 1.644 120.328 118.700 -0.026 0.000 2.411 322 N HA 0.263 5.004 4.740 0.003 0.000 0.261 322 N C 1.587 177.079 175.510 -0.030 0.000 1.248 322 N CA 1.167 54.196 53.050 -0.035 0.000 0.885 322 N CB 0.980 39.439 38.487 -0.046 0.000 1.062 322 N HN 0.533 nan 8.380 nan 0.000 0.471 323 T N 0.182 114.721 114.554 -0.025 0.000 3.163 323 T HA 0.273 4.625 4.350 0.003 0.000 0.252 323 T C 0.685 175.372 174.700 -0.021 0.000 1.056 323 T CA -0.350 61.739 62.100 -0.019 0.000 0.947 323 T CB -0.112 68.751 68.868 -0.009 0.000 1.016 323 T HN 0.470 nan 8.240 nan 0.000 0.554 324 A N 2.318 125.121 122.820 -0.029 0.000 2.981 324 A HA 0.485 4.807 4.320 0.003 0.000 0.280 324 A C 0.758 178.325 177.584 -0.028 0.000 1.797 324 A CA -0.633 51.387 52.037 -0.027 0.000 1.456 324 A CB -1.004 17.975 19.000 -0.035 0.000 1.057 324 A HN 0.566 nan 8.150 nan 0.000 0.602 325 S N 0.886 116.572 115.700 -0.023 0.000 2.544 325 S HA 0.503 4.975 4.470 0.003 0.000 0.290 325 S C 0.633 175.218 174.600 -0.024 0.000 1.276 325 S CA 0.174 58.359 58.200 -0.026 0.000 1.075 325 S CB 0.489 63.676 63.200 -0.020 0.000 0.849 325 S HN 2.009 nan 8.310 nan 0.000 0.494 326 G N 1.150 109.932 108.800 -0.029 0.000 2.317 326 G HA2 0.285 4.246 3.960 0.003 0.000 0.445 326 G HA3 0.285 4.246 3.960 0.003 0.000 0.445 326 G C -1.768 173.117 174.900 -0.025 0.000 1.486 326 G CA -1.165 43.922 45.100 -0.022 0.000 0.991 326 G HN 0.541 nan 8.290 nan 0.000 0.660 327 L N 1.289 122.505 121.223 -0.012 0.000 2.344 327 L HA 0.695 5.037 4.340 0.003 0.000 0.272 327 L C -1.536 175.353 176.870 0.031 0.000 1.035 327 L CA -1.672 53.167 54.840 -0.002 0.000 0.807 327 L CB 0.635 42.699 42.059 0.009 0.000 1.237 327 L HN 0.502 nan 8.230 nan 0.000 0.442 328 P HA 0.068 nan 4.420 nan 0.000 0.264 328 P C -0.794 176.571 177.300 0.108 0.000 1.173 328 P CA -0.124 63.033 63.100 0.096 0.000 0.761 328 P CB 0.231 32.031 31.700 0.168 0.000 0.794 329 A N 4.055 126.932 122.820 0.094 0.000 2.565 329 A HA 0.125 4.447 4.320 0.003 0.000 0.237 329 A C 0.475 178.119 177.584 0.100 0.000 1.053 329 A CA 0.492 52.577 52.037 0.080 0.000 0.755 329 A CB -0.128 18.912 19.000 0.067 0.000 0.980 329 A HN 0.538 nan 8.150 nan 0.000 0.506 330 R N 0.511 121.057 120.500 0.076 0.000 2.795 330 R HA 0.563 4.905 4.340 0.003 0.000 0.275 330 R C -0.904 175.425 176.300 0.049 0.000 0.981 330 R CA -0.622 55.524 56.100 0.078 0.000 0.917 330 R CB 2.128 32.473 30.300 0.076 0.000 1.202 330 R HN 0.961 nan 8.270 nan 0.000 0.469 331 Q N 1.098 120.927 119.800 0.048 0.000 2.418 331 Q HA 0.439 4.781 4.340 0.003 0.000 0.282 331 Q C -1.222 174.805 176.000 0.046 0.000 1.044 331 Q CA -1.149 54.674 55.803 0.033 0.000 0.813 331 Q CB 2.423 31.182 28.738 0.035 0.000 1.428 331 Q HN 0.379 nan 8.270 nan 0.000 0.402 332 R N 1.131 121.647 120.500 0.027 0.000 2.389 332 R HA 0.593 4.935 4.340 0.003 0.000 0.295 332 R C -1.270 175.151 176.300 0.202 0.000 1.075 332 R CA -0.104 56.038 56.100 0.069 0.000 1.005 332 R CB 0.934 31.178 30.300 -0.094 0.000 0.987 332 R HN 0.544 nan 8.270 nan 0.000 0.452 333 V N 4.076 124.205 119.914 0.357 0.000 3.178 333 V HA 0.396 4.517 4.120 0.003 0.000 0.302 333 V C -0.706 175.544 176.094 0.260 0.000 1.262 333 V CA -0.981 61.534 62.300 0.358 0.000 1.030 333 V CB 2.529 34.439 31.823 0.145 0.000 1.074 333 V HN 0.815 nan 8.190 nan 0.000 0.438 334 R N 0.822 121.297 120.500 -0.042 0.000 2.459 334 R HA 0.605 4.947 4.340 0.003 0.000 0.281 334 R C -0.598 175.596 176.300 -0.176 0.000 1.050 334 R CA -0.464 55.425 56.100 -0.350 0.000 1.055 334 R CB 1.191 31.142 30.300 -0.581 0.000 1.045 334 R HN 0.747 nan 8.270 nan 0.000 0.495 335 T N 0.956 115.403 114.554 -0.178 0.000 2.806 335 T HA 0.244 4.595 4.350 0.003 0.000 0.290 335 T C 0.891 175.516 174.700 -0.125 0.000 0.966 335 T CA -0.613 61.415 62.100 -0.120 0.000 1.060 335 T CB 1.737 70.545 68.868 -0.100 0.000 0.927 335 T HN 0.710 nan 8.240 nan 0.000 0.485 336 A N 2.578 125.339 122.820 -0.097 0.000 2.275 336 A HA 0.437 4.759 4.320 0.003 0.000 0.212 336 A C 1.108 178.647 177.584 -0.076 0.000 1.201 336 A CA -0.120 51.864 52.037 -0.087 0.000 0.843 336 A CB 0.203 19.160 19.000 -0.072 0.000 0.873 336 A HN 0.612 nan 8.150 nan 0.000 0.492 337 S N -0.770 114.885 115.700 -0.075 0.000 2.566 337 S HA 0.553 5.025 4.470 0.003 0.000 0.298 337 S C -0.234 174.326 174.600 -0.067 0.000 1.083 337 S CA -0.648 57.512 58.200 -0.066 0.000 0.978 337 S CB 1.535 64.697 63.200 -0.063 0.000 1.073 337 S HN 0.478 nan 8.310 nan 0.000 0.491 338 R N 1.585 122.049 120.500 -0.060 0.000 2.308 338 R HA 0.497 4.839 4.340 0.003 0.000 0.305 338 R C -1.142 175.124 176.300 -0.056 0.000 1.053 338 R CA -0.139 55.927 56.100 -0.057 0.000 0.957 338 R CB 0.276 30.545 30.300 -0.051 0.000 1.022 338 R HN 0.474 nan 8.270 nan 0.000 0.461 339 L N 3.686 124.876 121.223 -0.054 0.000 2.333 339 L HA 0.478 4.819 4.340 0.003 0.000 0.280 339 L C -0.347 176.493 176.870 -0.050 0.000 1.004 339 L CA -0.932 53.876 54.840 -0.053 0.000 0.820 339 L CB 1.940 43.969 42.059 -0.049 0.000 1.247 339 L HN 0.368 nan 8.230 nan 0.000 0.416 340 K N 2.811 123.178 120.400 -0.055 0.000 2.297 340 K HA 0.405 4.727 4.320 0.003 0.000 0.286 340 K C -0.523 176.054 176.600 -0.039 0.000 1.053 340 K CA -0.305 55.952 56.287 -0.049 0.000 0.940 340 K CB 0.943 33.406 32.500 -0.062 0.000 1.019 340 K HN 0.288 nan 8.250 nan 0.000 0.475 341 K N 1.511 121.893 120.400 -0.031 0.000 2.513 341 K HA 0.259 4.581 4.320 0.003 0.000 0.251 341 K C -1.453 175.136 176.600 -0.018 0.000 0.939 341 K CA -0.365 55.908 56.287 -0.025 0.000 0.793 341 K CB 1.770 34.252 32.500 -0.030 0.000 1.241 341 K HN 0.368 nan 8.250 nan 0.000 0.431 342 T N 6.472 121.020 114.554 -0.010 0.000 2.749 342 T HA 0.430 4.782 4.350 0.003 0.000 0.287 342 T C -2.527 172.169 174.700 -0.006 0.000 0.970 342 T CA -1.431 60.666 62.100 -0.005 0.000 0.980 342 T CB 1.236 70.106 68.868 0.004 0.000 0.924 342 T HN 0.441 nan 8.240 nan 0.000 0.456 343 P HA 0.323 nan 4.420 nan 0.000 0.269 343 P C 1.045 178.344 177.300 -0.003 0.000 1.215 343 P CA 0.563 63.658 63.100 -0.008 0.000 0.780 343 P CB 0.499 32.194 31.700 -0.008 0.000 0.898 344 G N 1.088 109.885 108.800 -0.004 0.000 2.316 344 G HA2 -0.145 3.816 3.960 0.003 0.000 0.203 344 G HA3 -0.145 3.816 3.960 0.003 0.000 0.203 344 G C 0.061 174.964 174.900 0.005 0.000 0.999 344 G CA -0.464 44.638 45.100 0.002 0.000 0.649 344 G HN 0.564 nan 8.290 nan 0.000 0.489 345 R N -0.385 120.117 120.500 0.004 0.000 2.673 345 R HA 0.556 4.897 4.340 0.003 0.000 0.281 345 R C -1.152 175.142 176.300 -0.009 0.000 0.991 345 R CA -0.977 55.130 56.100 0.011 0.000 0.896 345 R CB 2.261 32.580 30.300 0.032 0.000 1.201 345 R HN 0.227 nan 8.270 nan 0.000 0.457 346 L N 2.888 124.104 121.223 -0.012 0.000 2.407 346 L HA 0.142 4.483 4.340 0.003 0.000 0.282 346 L C -0.492 176.333 176.870 -0.076 0.000 1.110 346 L CA 0.300 55.092 54.840 -0.081 0.000 0.863 346 L CB 0.085 42.102 42.059 -0.070 0.000 1.207 346 L HN 0.393 nan 8.230 nan 0.000 0.454 347 D N 4.627 124.954 120.400 -0.122 0.000 2.313 347 D HA 0.140 4.782 4.640 0.003 0.000 0.239 347 D C -0.800 175.414 176.300 -0.144 0.000 1.142 347 D CA -0.019 53.948 54.000 -0.054 0.000 0.847 347 D CB 0.331 41.113 40.800 -0.029 0.000 1.082 347 D HN 0.354 nan 8.370 nan 0.000 0.480 348 F N 3.398 123.317 119.950 -0.051 0.000 2.509 348 F HA 0.186 4.714 4.527 0.003 0.000 0.344 348 F C 1.234 177.055 175.800 0.034 0.000 1.197 348 F CA -0.512 57.440 58.000 -0.081 0.000 1.294 348 F CB 0.177 38.994 39.000 -0.305 0.000 1.643 348 F HN 0.118 nan 8.300 nan 0.000 0.596 349 Q N 1.347 121.243 119.800 0.161 0.000 2.382 349 Q HA 0.412 4.753 4.340 0.003 0.000 0.229 349 Q C -0.016 176.098 176.000 0.190 0.000 1.006 349 Q CA -0.503 55.370 55.803 0.117 0.000 0.916 349 Q CB 1.113 29.868 28.738 0.028 0.000 1.235 349 Q HN 0.432 nan 8.270 nan 0.000 0.512 350 R N -0.441 120.085 120.500 0.043 0.000 2.532 350 R HA 0.675 5.017 4.340 0.003 0.000 0.295 350 R C -0.275 175.946 176.300 -0.131 0.000 0.968 350 R CA -0.116 55.950 56.100 -0.058 0.000 0.916 350 R CB 1.776 31.958 30.300 -0.197 0.000 1.124 350 R HN 0.751 nan 8.270 nan 0.000 0.463 351 G N 0.008 108.675 108.800 -0.221 0.000 2.766 351 G HA2 0.525 4.487 3.960 0.003 0.000 0.288 351 G HA3 0.525 4.487 3.960 0.003 0.000 0.288 351 G C -1.591 173.157 174.900 -0.253 0.000 1.408 351 G CA -0.572 44.414 45.100 -0.190 0.000 0.852 351 G HN 0.340 nan 8.290 nan 0.000 0.487 352 V N 0.770 120.579 119.914 -0.176 0.000 2.350 352 V HA 0.400 4.522 4.120 0.003 0.000 0.285 352 V C -0.568 175.450 176.094 -0.127 0.000 1.014 352 V CA -0.668 61.535 62.300 -0.161 0.000 0.831 352 V CB 1.087 32.843 31.823 -0.111 0.000 1.000 352 V HN 0.556 nan 8.190 nan 0.000 0.433 353 L N 6.466 127.607 121.223 -0.137 0.000 2.281 353 L HA 0.555 4.897 4.340 0.003 0.000 0.285 353 L C 0.148 176.980 176.870 -0.063 0.000 1.074 353 L CA 0.704 55.490 54.840 -0.090 0.000 0.817 353 L CB 0.769 42.774 42.059 -0.091 0.000 1.168 353 L HN 0.916 nan 8.230 nan 0.000 0.434 354 Q N 4.160 123.933 119.800 -0.045 0.000 2.534 354 Q HA 0.544 4.885 4.340 0.003 0.000 0.290 354 Q C -1.150 174.838 176.000 -0.020 0.000 0.991 354 Q CA -1.143 54.641 55.803 -0.031 0.000 0.783 354 Q CB 1.568 30.285 28.738 -0.035 0.000 1.470 354 Q HN 0.434 nan 8.270 nan 0.000 0.406 355 R N 1.421 121.913 120.500 -0.013 0.000 2.390 355 R HA 0.252 4.594 4.340 0.003 0.000 0.291 355 R C -0.089 176.204 176.300 -0.012 0.000 1.070 355 R CA -0.367 55.729 56.100 -0.007 0.000 1.014 355 R CB 0.409 30.708 30.300 -0.002 0.000 1.007 355 R HN 0.709 nan 8.270 nan 0.000 0.466 356 N N 1.586 120.279 118.700 -0.011 0.000 2.405 356 N HA 0.128 4.870 4.740 0.003 0.000 0.269 356 N C 0.748 176.251 175.510 -0.010 0.000 1.249 356 N CA -0.195 52.846 53.050 -0.016 0.000 0.974 356 N CB 0.204 38.678 38.487 -0.021 0.000 1.204 356 N HN 0.455 nan 8.380 nan 0.000 0.565 357 A N -0.315 122.498 122.820 -0.012 0.000 1.927 357 A HA -0.217 4.105 4.320 0.003 0.000 0.220 357 A C 1.062 178.643 177.584 -0.004 0.000 1.185 357 A CA 1.962 53.994 52.037 -0.008 0.000 0.639 357 A CB -0.935 18.059 19.000 -0.010 0.000 0.820 357 A HN 0.751 nan 8.150 nan 0.000 0.451 358 D N -1.069 119.329 120.400 -0.003 0.000 2.352 358 D HA 0.259 4.901 4.640 0.003 0.000 0.232 358 D C 1.385 177.689 176.300 0.007 0.000 1.055 358 D CA 1.050 55.052 54.000 0.002 0.000 0.891 358 D CB -0.397 40.406 40.800 0.004 0.000 0.897 358 D HN 0.685 nan 8.370 nan 0.000 0.529 359 G N 0.962 109.765 108.800 0.005 0.000 2.184 359 G HA2 -0.327 3.635 3.960 0.003 0.000 0.264 359 G HA3 -0.327 3.635 3.960 0.003 0.000 0.264 359 G C 0.134 175.042 174.900 0.013 0.000 0.975 359 G CA 0.089 45.194 45.100 0.008 0.000 0.642 359 G HN 0.413 nan 8.290 nan 0.000 0.536 360 E N -0.339 119.871 120.200 0.016 0.000 2.349 360 E HA 0.552 4.903 4.350 0.003 0.000 0.265 360 E C 0.134 176.747 176.600 0.022 0.000 1.064 360 E CA -0.921 55.496 56.400 0.029 0.000 0.886 360 E CB 1.082 30.805 29.700 0.038 0.000 1.036 360 E HN 0.068 nan 8.360 nan 0.000 0.413 361 L N 2.705 123.949 121.223 0.035 0.000 2.371 361 L HA 0.216 4.558 4.340 0.003 0.000 0.272 361 L C -0.079 176.803 176.870 0.019 0.000 1.124 361 L CA 0.307 55.161 54.840 0.024 0.000 0.816 361 L CB 0.350 42.429 42.059 0.033 0.000 1.129 361 L HN 0.635 nan 8.230 nan 0.000 0.448 362 E N 2.016 122.211 120.200 -0.008 0.000 2.413 362 E HA 0.698 5.050 4.350 0.003 0.000 0.277 362 E C -1.652 174.923 176.600 -0.042 0.000 0.958 362 E CA -1.054 55.327 56.400 -0.030 0.000 0.779 362 E CB 1.636 31.305 29.700 -0.052 0.000 1.278 362 E HN 0.147 nan 8.360 nan 0.000 0.456 363 V N -0.214 119.668 119.914 -0.052 0.000 2.513 363 V HA 0.696 4.817 4.120 0.003 0.000 0.299 363 V C -0.335 175.716 176.094 -0.071 0.000 1.035 363 V CA -0.632 61.630 62.300 -0.064 0.000 0.889 363 V CB 1.437 33.224 31.823 -0.060 0.000 0.988 363 V HN 0.806 nan 8.190 nan 0.000 0.440 364 T N 1.847 116.355 114.554 -0.076 0.000 2.908 364 T HA 0.455 4.807 4.350 0.003 0.000 0.290 364 T C 0.080 174.733 174.700 -0.079 0.000 1.034 364 T CA -0.284 61.773 62.100 -0.072 0.000 1.010 364 T CB 1.812 70.641 68.868 -0.065 0.000 1.068 364 T HN 0.962 nan 8.240 nan 0.000 0.481 365 T N 0.818 115.330 114.554 -0.071 0.000 2.860 365 T HA 0.170 4.522 4.350 0.003 0.000 0.299 365 T C 1.716 176.370 174.700 -0.076 0.000 1.045 365 T CA 0.272 62.329 62.100 -0.073 0.000 1.071 365 T CB 0.391 69.221 68.868 -0.063 0.000 0.985 365 T HN 0.791 nan 8.240 nan 0.000 0.537 366 T N 0.738 115.240 114.554 -0.086 0.000 3.043 366 T HA 0.459 4.811 4.350 0.003 0.000 0.263 366 T C 1.218 175.885 174.700 -0.054 0.000 1.094 366 T CA 0.606 62.655 62.100 -0.085 0.000 1.127 366 T CB -0.276 68.520 68.868 -0.120 0.000 0.905 366 T HN 1.183 nan 8.240 nan 0.000 0.490 367 G N 0.285 109.060 108.800 -0.041 0.000 2.288 367 G HA2 0.075 4.036 3.960 0.003 0.000 0.227 367 G HA3 0.075 4.036 3.960 0.003 0.000 0.227 367 G C -1.010 173.902 174.900 0.021 0.000 1.339 367 G CA -0.598 44.500 45.100 -0.004 0.000 1.057 367 G HN 0.649 nan 8.290 nan 0.000 0.470 368 H N 1.186 120.248 119.070 -0.013 0.000 3.001 368 H HA 0.340 4.898 4.556 0.004 0.000 0.334 368 H C 1.204 176.524 175.328 -0.012 0.000 1.034 368 H CA 0.634 56.695 56.048 0.022 0.000 1.420 368 H CB 0.869 30.690 29.762 0.098 0.000 1.405 368 H HN 0.310 nan 8.280 nan 0.000 0.593 369 Q N 3.604 123.467 119.800 0.105 0.000 2.280 369 Q HA 0.144 4.486 4.340 0.003 0.000 0.201 369 Q C 0.774 176.904 176.000 0.216 0.000 0.890 369 Q CA 0.331 56.190 55.803 0.092 0.000 0.947 369 Q CB 0.627 29.367 28.738 0.004 0.000 1.081 369 Q HN 0.809 nan 8.270 nan 0.000 0.502 370 G N 1.125 110.284 108.800 0.599 0.000 2.554 370 G HA2 0.118 4.079 3.960 0.003 0.000 0.238 370 G HA3 0.118 4.079 3.960 0.003 0.000 0.238 370 G C 0.654 175.683 174.900 0.215 0.000 1.259 370 G CA 0.065 45.458 45.100 0.489 0.000 0.843 370 G HN 0.265 nan 8.290 nan 0.000 0.582 371 S N -0.182 115.655 115.700 0.229 0.000 2.660 371 S HA 0.007 4.479 4.470 0.003 0.000 0.227 371 S C 1.334 176.029 174.600 0.158 0.000 0.948 371 S CA 0.336 58.625 58.200 0.148 0.000 0.948 371 S CB -0.338 62.958 63.200 0.161 0.000 0.779 371 S HN 0.841 nan 8.310 nan 0.000 0.487 372 H N 1.340 120.439 119.070 0.047 0.000 2.551 372 H HA 0.390 4.948 4.556 0.002 0.000 0.266 372 H C 0.617 175.975 175.328 0.051 0.000 0.964 372 H CA -0.145 55.923 56.048 0.033 0.000 1.180 372 H CB -0.406 29.339 29.762 -0.028 0.000 1.408 372 H HN 0.675 nan 8.280 nan 0.000 0.563 373 I N -4.604 115.740 120.570 -0.377 0.000 2.892 373 I HA 0.353 4.524 4.170 0.003 0.000 0.306 373 I C -0.277 175.850 176.117 0.017 0.000 1.078 373 I CA -1.303 59.871 61.300 -0.211 0.000 1.032 373 I CB 1.817 39.573 38.000 -0.406 0.000 1.229 373 I HN -0.179 nan 8.210 nan 0.000 0.435 374 F N 1.295 121.211 119.950 -0.055 0.000 2.746 374 F HA 0.092 4.622 4.527 0.003 0.000 0.313 374 F C 2.328 178.145 175.800 0.028 0.000 1.095 374 F CA 0.737 58.769 58.000 0.053 0.000 1.224 374 F CB 0.497 39.570 39.000 0.122 0.000 1.060 374 F HN 0.658 nan 8.300 nan 0.000 0.584 375 S N -0.445 115.303 115.700 0.080 0.000 2.420 375 S HA -0.258 4.213 4.470 0.003 0.000 0.237 375 S C 2.243 176.788 174.600 -0.092 0.000 1.023 375 S CA 1.428 59.639 58.200 0.018 0.000 0.991 375 S CB -1.235 61.970 63.200 0.008 0.000 0.792 375 S HN 0.471 nan 8.310 nan 0.000 0.488 376 S N 1.080 116.640 115.700 -0.235 0.000 2.419 376 S HA -0.043 4.429 4.470 0.003 0.000 0.233 376 S C 1.508 175.889 174.600 -0.365 0.000 1.016 376 S CA 0.808 58.819 58.200 -0.314 0.000 0.974 376 S CB -1.093 61.861 63.200 -0.409 0.000 0.786 376 S HN 0.594 nan 8.310 nan 0.000 0.492 377 F N 1.478 121.204 119.950 -0.374 0.000 2.206 377 F HA 0.033 4.561 4.527 0.002 0.000 0.298 377 F C 3.152 178.813 175.800 -0.232 0.000 1.090 377 F CA 1.008 58.676 58.000 -0.554 0.000 1.323 377 F CB -0.338 38.012 39.000 -1.083 0.000 1.028 377 F HN 0.345 nan 8.300 nan 0.000 0.492 378 S N 0.214 115.945 115.700 0.052 0.000 2.388 378 S HA -0.049 4.423 4.470 0.003 0.000 0.223 378 S C 1.989 176.625 174.600 0.060 0.000 1.034 378 S CA 0.688 58.945 58.200 0.094 0.000 0.963 378 S CB -0.347 62.915 63.200 0.104 0.000 0.827 378 S HN 0.261 nan 8.310 nan 0.000 0.481 379 L N 1.109 122.336 121.223 0.007 0.000 2.141 379 L HA 0.135 4.476 4.340 0.003 0.000 0.209 379 L C 1.597 178.438 176.870 -0.047 0.000 1.094 379 L CA 0.587 55.415 54.840 -0.021 0.000 0.763 379 L CB -0.736 41.296 42.059 -0.044 0.000 0.908 379 L HN 0.339 nan 8.230 nan 0.000 0.437 380 G N -0.397 108.368 108.800 -0.058 0.000 2.528 380 G HA2 0.245 4.207 3.960 0.003 0.000 0.289 380 G HA3 0.245 4.207 3.960 0.003 0.000 0.289 380 G C 0.123 174.888 174.900 -0.224 0.000 1.192 380 G CA -0.161 44.829 45.100 -0.183 0.000 0.921 380 G HN 0.363 nan 8.290 nan 0.000 0.512 381 N N -2.403 115.929 118.700 -0.613 0.000 2.167 381 N HA 0.149 4.891 4.740 0.003 0.000 0.234 381 N C -0.059 174.775 175.510 -1.127 0.000 1.312 381 N CA 0.119 52.819 53.050 -0.584 0.000 0.861 381 N CB -0.287 38.078 38.487 -0.202 0.000 1.217 381 N HN 0.847 nan 8.380 nan 0.000 0.504 382 C N -2.347 115.841 119.300 -1.853 0.000 3.275 382 C HA 0.723 5.185 4.460 0.003 0.000 0.340 382 C C -1.617 172.781 174.990 -0.987 0.000 1.366 382 C CA -1.649 56.633 59.018 -1.226 0.000 1.227 382 C CB 0.011 27.485 27.740 -0.444 0.000 1.512 382 C HN 0.075 nan 8.230 nan 0.000 0.461 383 F N 1.180 121.052 119.950 -0.131 0.000 2.450 383 F HA 0.693 5.222 4.527 0.002 0.000 0.332 383 F C 0.502 176.304 175.800 0.003 0.000 1.093 383 F CA -0.830 57.215 58.000 0.076 0.000 1.003 383 F CB 1.530 40.732 39.000 0.337 0.000 1.151 383 F HN 0.439 nan 8.300 nan 0.000 0.474 384 I N 4.434 125.113 120.570 0.182 0.000 2.310 384 I HA 0.167 4.338 4.170 0.003 0.000 0.287 384 I C -0.708 175.407 176.117 -0.004 0.000 1.073 384 I CA -0.615 60.718 61.300 0.054 0.000 1.216 384 I CB 0.737 38.739 38.000 0.004 0.000 1.415 384 I HN 0.220 nan 8.210 nan 0.000 0.480 385 V N 7.625 127.497 119.914 -0.070 0.000 2.326 385 V HA 0.133 4.255 4.120 0.003 0.000 0.249 385 V C 0.501 176.449 176.094 -0.243 0.000 1.114 385 V CA -0.158 61.951 62.300 -0.319 0.000 1.028 385 V CB -0.405 31.198 31.823 -0.367 0.000 1.170 385 V HN 0.499 nan 8.190 nan 0.000 0.494 386 L N 3.942 125.034 121.223 -0.218 0.000 2.313 386 L HA 0.333 4.674 4.340 0.003 0.000 0.282 386 L C 0.690 177.470 176.870 -0.149 0.000 1.092 386 L CA -0.566 54.192 54.840 -0.137 0.000 0.831 386 L CB 0.555 42.560 42.059 -0.091 0.000 1.159 386 L HN 0.529 nan 8.230 nan 0.000 0.442 387 E N 2.112 122.248 120.200 -0.107 0.000 2.534 387 E HA -0.119 4.232 4.350 0.003 0.000 0.264 387 E C 1.002 177.558 176.600 -0.074 0.000 0.981 387 E CA 0.281 56.627 56.400 -0.089 0.000 0.948 387 E CB 0.400 30.066 29.700 -0.056 0.000 0.934 387 E HN 0.368 nan 8.360 nan 0.000 0.459 388 R N 2.220 122.680 120.500 -0.067 0.000 2.112 388 R HA -0.242 4.100 4.340 0.003 0.000 0.242 388 R C 0.659 176.940 176.300 -0.031 0.000 1.137 388 R CA 2.098 58.171 56.100 -0.045 0.000 0.944 388 R CB -0.004 30.274 30.300 -0.035 0.000 0.857 388 R HN 0.565 nan 8.270 nan 0.000 0.435 389 D N -0.107 120.276 120.400 -0.028 0.000 2.347 389 D HA -0.061 4.581 4.640 0.003 0.000 0.215 389 D C 0.581 176.870 176.300 -0.019 0.000 0.976 389 D CA 0.313 54.301 54.000 -0.020 0.000 0.884 389 D CB -0.179 40.610 40.800 -0.018 0.000 0.915 389 D HN 0.153 nan 8.370 nan 0.000 0.526 390 R N 0.340 120.825 120.500 -0.025 0.000 2.698 390 R HA 0.289 4.631 4.340 0.003 0.000 0.266 390 R C 0.780 177.067 176.300 -0.021 0.000 1.026 390 R CA 0.229 56.316 56.100 -0.023 0.000 1.102 390 R CB 0.512 30.795 30.300 -0.029 0.000 0.978 390 R HN 0.044 nan 8.270 nan 0.000 0.436 391 G N 1.468 110.257 108.800 -0.018 0.000 2.857 391 G HA2 0.144 4.106 3.960 0.003 0.000 0.217 391 G HA3 0.144 4.106 3.960 0.003 0.000 0.217 391 G C -0.818 174.069 174.900 -0.021 0.000 1.357 391 G CA -0.770 44.319 45.100 -0.017 0.000 1.033 391 G HN 0.641 nan 8.290 nan 0.000 0.571 392 N N -0.430 118.257 118.700 -0.022 0.000 2.407 392 N HA 0.123 4.865 4.740 0.003 0.000 0.250 392 N C -0.238 175.255 175.510 -0.030 0.000 1.236 392 N CA 0.138 53.172 53.050 -0.027 0.000 0.879 392 N CB 1.416 39.887 38.487 -0.027 0.000 1.088 392 N HN 0.107 nan 8.380 nan 0.000 0.450 393 V N 2.189 122.082 119.914 -0.036 0.000 2.398 393 V HA 0.220 4.342 4.120 0.003 0.000 0.286 393 V C 0.395 176.460 176.094 -0.049 0.000 1.026 393 V CA -0.733 61.543 62.300 -0.040 0.000 0.868 393 V CB 1.597 33.395 31.823 -0.042 0.000 0.982 393 V HN 0.476 nan 8.190 nan 0.000 0.443 394 E N 2.241 122.409 120.200 -0.053 0.000 2.250 394 E HA 0.432 4.784 4.350 0.003 0.000 0.269 394 E C -0.421 176.130 176.600 -0.081 0.000 1.018 394 E CA -0.782 55.582 56.400 -0.061 0.000 0.873 394 E CB 2.102 31.769 29.700 -0.054 0.000 1.134 394 E HN 0.373 nan 8.360 nan 0.000 0.403 395 V N 1.395 121.259 119.914 -0.082 0.000 2.617 395 V HA 0.205 4.326 4.120 0.003 0.000 0.304 395 V C 1.489 177.503 176.094 -0.134 0.000 1.040 395 V CA 1.903 64.143 62.300 -0.101 0.000 1.149 395 V CB 0.184 31.956 31.823 -0.085 0.000 0.914 395 V HN 0.999 nan 8.190 nan 0.000 0.487 396 G N 3.379 112.067 108.800 -0.186 0.000 2.213 396 G HA2 -0.183 3.778 3.960 0.003 0.000 0.236 396 G HA3 -0.183 3.778 3.960 0.003 0.000 0.236 396 G C 0.087 174.760 174.900 -0.379 0.000 0.991 396 G CA 0.091 45.028 45.100 -0.272 0.000 0.629 396 G HN 0.655 nan 8.290 nan 0.000 0.517 397 E N -0.612 119.428 120.200 -0.267 0.000 2.390 397 E HA 0.344 4.696 4.350 0.003 0.000 0.261 397 E C -0.196 176.234 176.600 -0.283 0.000 1.076 397 E CA -0.642 55.617 56.400 -0.235 0.000 0.905 397 E CB 0.552 30.196 29.700 -0.095 0.000 0.984 397 E HN 0.377 nan 8.360 nan 0.000 0.427 398 W N 1.461 122.746 121.300 -0.025 0.000 2.238 398 W HA 0.313 4.974 4.660 0.003 0.000 0.321 398 W C -0.267 176.234 176.519 -0.030 0.000 1.293 398 W CA -0.280 57.050 57.345 -0.025 0.000 1.204 398 W CB 0.716 30.163 29.460 -0.022 0.000 1.167 398 W HN 0.121 nan 8.180 nan 0.000 0.553 399 V N 3.522 123.581 119.914 0.241 0.000 2.925 399 V HA 0.255 4.377 4.120 0.003 0.000 0.311 399 V C -0.434 175.722 176.094 0.104 0.000 1.104 399 V CA -1.151 61.216 62.300 0.112 0.000 0.954 399 V CB 2.215 34.061 31.823 0.038 0.000 1.022 399 V HN 0.285 nan 8.190 nan 0.000 0.427 400 E N 2.280 122.508 120.200 0.047 0.000 2.229 400 E HA 0.454 4.806 4.350 0.003 0.000 0.283 400 E C -0.987 175.634 176.600 0.035 0.000 1.030 400 E CA -0.006 56.414 56.400 0.033 0.000 0.836 400 E CB 1.822 31.520 29.700 -0.004 0.000 1.068 400 E HN 0.334 nan 8.360 nan 0.000 0.401 401 V N 3.045 122.992 119.914 0.055 0.000 2.604 401 V HA 0.227 4.349 4.120 0.003 0.000 0.305 401 V C -0.230 175.924 176.094 0.100 0.000 1.043 401 V CA -0.623 61.715 62.300 0.063 0.000 0.888 401 V CB 2.038 33.882 31.823 0.035 0.000 0.995 401 V HN 0.600 nan 8.190 nan 0.000 0.429 402 E N 6.562 126.862 120.200 0.165 0.000 2.207 402 E HA 0.440 4.791 4.350 0.003 0.000 0.250 402 E C -2.742 173.988 176.600 0.216 0.000 0.890 402 E CA -2.074 54.472 56.400 0.244 0.000 0.749 402 E CB 2.138 32.083 29.700 0.408 0.000 1.193 402 E HN 0.394 nan 8.360 nan 0.000 0.423 403 P HA -0.000 nan 4.420 nan 0.000 0.266 403 P C -0.619 176.821 177.300 0.234 0.000 1.195 403 P CA -0.023 63.115 63.100 0.063 0.000 0.768 403 P CB 0.188 31.931 31.700 0.071 0.000 0.838 404 F N 2.465 122.442 119.950 0.046 0.000 2.553 404 F HA 0.043 4.571 4.527 0.003 0.000 0.356 404 F C 1.596 177.524 175.800 0.214 0.000 1.142 404 F CA -0.281 57.791 58.000 0.119 0.000 1.322 404 F CB -0.437 38.610 39.000 0.078 0.000 1.126 404 F HN 0.377 nan 8.300 nan 0.000 0.599 405 N N 1.363 120.367 118.700 0.507 0.000 2.443 405 N HA 0.352 5.093 4.740 0.003 0.000 0.294 405 N C 0.707 176.340 175.510 0.206 0.000 1.289 405 N CA 0.031 53.259 53.050 0.298 0.000 0.966 405 N CB -0.359 38.263 38.487 0.224 0.000 1.122 405 N HN 0.442 nan 8.380 nan 0.000 0.569 406 A N -0.575 122.313 122.820 0.113 0.000 2.019 406 A HA -0.025 4.297 4.320 0.003 0.000 0.219 406 A C 2.194 179.771 177.584 -0.012 0.000 1.164 406 A CA 0.905 52.980 52.037 0.063 0.000 0.644 406 A CB -1.133 17.894 19.000 0.045 0.000 0.805 406 A HN 0.607 nan 8.150 nan 0.000 0.449 407 L N -2.251 118.909 121.223 -0.106 0.000 2.189 407 L HA -0.176 4.166 4.340 0.003 0.000 0.214 407 L C 1.515 178.086 176.870 -0.500 0.000 1.097 407 L CA 1.265 55.895 54.840 -0.350 0.000 0.764 407 L CB -0.465 41.276 42.059 -0.530 0.000 0.900 407 L HN 0.489 nan 8.230 nan 0.000 0.436 408 F N -0.719 119.226 119.950 -0.009 0.000 2.654 408 F HA 0.420 4.949 4.527 0.002 0.000 0.303 408 F C 1.274 177.108 175.800 0.058 0.000 1.099 408 F CA 0.051 58.014 58.000 -0.061 0.000 1.270 408 F CB 0.561 39.365 39.000 -0.328 0.000 1.024 408 F HN 0.101 nan 8.300 nan 0.000 0.548 409 G N 0.000 108.902 108.800 0.171 0.000 5.446 409 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 409 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 409 G CA 0.000 45.185 45.100 0.142 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925