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 2hld_1_V DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.605 174.600 0.008 0.000 1.055 6 S CA 0.000 58.203 58.200 0.005 0.000 1.107 6 S CB 0.000 63.202 63.200 0.003 0.000 0.593 7 T N 2.812 117.372 114.554 0.010 0.000 2.829 7 T HA 0.732 5.082 4.350 0.000 0.000 0.280 7 T C -2.931 171.782 174.700 0.021 0.000 0.999 7 T CA -1.478 60.630 62.100 0.014 0.000 0.983 7 T CB 1.225 70.102 68.868 0.014 0.000 0.968 7 T HN 0.166 nan 8.240 nan 0.000 0.446 8 P HA 0.309 nan 4.420 nan 0.000 0.267 8 P C -0.577 176.754 177.300 0.051 0.000 1.205 8 P CA -0.363 62.758 63.100 0.034 0.000 0.765 8 P CB 0.446 32.165 31.700 0.031 0.000 0.828 9 I N 1.898 122.510 120.570 0.069 0.000 2.428 9 I HA 0.254 4.424 4.170 0.000 0.000 0.289 9 I C 0.723 176.947 176.117 0.180 0.000 1.019 9 I CA -0.056 61.312 61.300 0.114 0.000 1.351 9 I CB 0.962 39.016 38.000 0.090 0.000 1.412 9 I HN 0.247 nan 8.210 nan 0.000 0.513 10 T N 3.843 118.514 114.554 0.195 0.000 2.841 10 T HA 0.682 5.032 4.350 0.000 0.000 0.283 10 T C -0.000 174.703 174.700 0.006 0.000 1.000 10 T CA -0.632 61.535 62.100 0.111 0.000 0.977 10 T CB 1.878 70.770 68.868 0.040 0.000 0.979 10 T HN 0.885 nan 8.240 nan 0.000 0.446 11 G N 1.533 110.135 108.800 -0.329 0.000 2.733 11 G HA2 0.737 4.697 3.960 0.000 0.000 0.288 11 G HA3 0.737 4.697 3.960 0.000 0.000 0.288 11 G C -1.647 172.997 174.900 -0.427 0.000 1.373 11 G CA -0.830 43.789 45.100 -0.801 0.000 0.895 11 G HN 0.547 nan 8.290 nan 0.000 0.479 12 K N 0.289 120.474 120.400 -0.358 0.000 2.376 12 K HA 0.460 4.780 4.320 0.000 0.000 0.257 12 K C -0.553 175.959 176.600 -0.148 0.000 0.939 12 K CA -0.678 55.493 56.287 -0.192 0.000 0.809 12 K CB 2.726 35.143 32.500 -0.138 0.000 1.121 12 K HN 0.252 nan 8.250 nan 0.000 0.425 13 V N 3.287 123.136 119.914 -0.108 0.000 2.509 13 V HA -0.102 4.018 4.120 0.000 0.000 0.297 13 V C 1.444 177.511 176.094 -0.044 0.000 1.014 13 V CA 1.034 63.296 62.300 -0.063 0.000 1.127 13 V CB 0.427 32.223 31.823 -0.045 0.000 0.925 13 V HN 1.049 nan 8.190 nan 0.000 0.480 14 T N 1.452 115.993 114.554 -0.022 0.000 2.999 14 T HA 0.532 4.882 4.350 0.000 0.000 0.247 14 T C 0.441 175.139 174.700 -0.005 0.000 1.012 14 T CA 0.489 62.583 62.100 -0.010 0.000 1.048 14 T CB 0.555 69.433 68.868 0.015 0.000 1.020 14 T HN 0.955 nan 8.240 nan 0.000 0.478 15 A N 0.718 123.538 122.820 0.000 0.000 2.486 15 A HA 0.730 5.050 4.320 0.000 0.000 0.300 15 A C -1.423 176.163 177.584 0.002 0.000 1.048 15 A CA -0.708 51.331 52.037 0.002 0.000 0.696 15 A CB 2.066 21.072 19.000 0.009 0.000 1.278 15 A HN 0.320 nan 8.150 nan 0.000 0.405 16 V N 3.073 122.988 119.914 0.001 0.000 2.462 16 V HA 0.421 4.541 4.120 0.000 0.000 0.288 16 V C -0.860 175.235 176.094 0.002 0.000 1.020 16 V CA 0.030 62.331 62.300 0.001 0.000 0.857 16 V CB 0.946 32.768 31.823 -0.001 0.000 1.013 16 V HN 0.710 nan 8.190 nan 0.000 0.431 17 I N 4.419 124.991 120.570 0.003 0.000 2.466 17 I HA 0.640 4.810 4.170 0.000 0.000 0.279 17 I C 1.135 177.253 176.117 0.002 0.000 1.033 17 I CA -0.020 61.281 61.300 0.002 0.000 1.123 17 I CB 1.382 39.384 38.000 0.003 0.000 1.237 17 I HN 0.790 nan 8.210 nan 0.000 0.460 18 G N 4.988 113.788 108.800 0.001 0.000 2.634 18 G HA2 -0.396 3.564 3.960 0.000 0.000 0.318 18 G HA3 -0.396 3.564 3.960 0.000 0.000 0.318 18 G C 0.918 175.819 174.900 0.002 0.000 1.207 18 G CA 0.661 45.761 45.100 0.000 0.000 0.987 18 G HN 0.795 nan 8.290 nan 0.000 0.547 19 A N -0.523 122.298 122.820 0.001 0.000 2.218 19 A HA 0.543 4.863 4.320 0.000 0.000 0.209 19 A C 1.010 178.599 177.584 0.008 0.000 1.168 19 A CA 0.939 52.979 52.037 0.004 0.000 0.804 19 A CB -0.004 18.996 19.000 0.000 0.000 0.834 19 A HN 0.599 nan 8.150 nan 0.000 0.482 20 I N 1.369 121.944 120.570 0.008 0.000 2.325 20 I HA 0.310 4.480 4.170 0.000 0.000 0.291 20 I C -0.586 175.540 176.117 0.014 0.000 1.019 20 I CA -0.577 60.731 61.300 0.012 0.000 1.302 20 I CB 0.948 38.954 38.000 0.011 0.000 1.401 20 I HN -0.132 nan 8.210 nan 0.000 0.485 21 V N 5.825 125.752 119.914 0.020 0.000 2.487 21 V HA 0.406 4.526 4.120 0.000 0.000 0.298 21 V C -0.508 175.603 176.094 0.028 0.000 1.028 21 V CA -0.817 61.494 62.300 0.020 0.000 0.860 21 V CB 2.273 34.108 31.823 0.020 0.000 0.991 21 V HN 0.552 nan 8.190 nan 0.000 0.427 22 D N 3.186 123.599 120.400 0.022 0.000 2.217 22 D HA 0.617 5.257 4.640 0.000 0.000 0.243 22 D C -0.616 175.695 176.300 0.018 0.000 1.054 22 D CA -0.088 53.929 54.000 0.029 0.000 0.838 22 D CB 2.322 43.138 40.800 0.027 0.000 1.162 22 D HN 0.280 nan 8.370 nan 0.000 0.472 23 V N 2.435 122.366 119.914 0.029 0.000 2.588 23 V HA 0.194 4.314 4.120 0.000 0.000 0.304 23 V C -0.254 175.827 176.094 -0.022 0.000 1.042 23 V CA -0.857 61.421 62.300 -0.037 0.000 0.877 23 V CB 2.064 33.851 31.823 -0.060 0.000 0.996 23 V HN 0.551 nan 8.190 nan 0.000 0.425 24 H N 4.348 123.303 119.070 -0.190 0.000 2.519 24 H HA 0.578 5.134 4.556 0.000 0.000 0.316 24 H C -1.605 173.561 175.328 -0.270 0.000 1.065 24 H CA -0.481 55.491 56.048 -0.127 0.000 1.264 24 H CB 1.044 30.755 29.762 -0.085 0.000 1.413 24 H HN 0.474 nan 8.280 nan 0.000 0.465 25 F N 1.934 121.820 119.950 -0.107 0.000 2.557 25 F HA 0.224 4.751 4.527 0.000 0.000 0.336 25 F C 0.996 176.794 175.800 -0.004 0.000 1.058 25 F CA -0.860 57.134 58.000 -0.011 0.000 0.988 25 F CB 0.926 39.873 39.000 -0.088 0.000 1.275 25 F HN 0.448 nan 8.300 nan 0.000 0.488 26 E N 0.067 120.428 120.200 0.268 0.000 2.421 26 E HA 0.030 4.380 4.350 0.000 0.000 0.253 26 E C -0.623 176.032 176.600 0.092 0.000 1.277 26 E CA -0.392 56.110 56.400 0.170 0.000 0.968 26 E CB 0.274 30.053 29.700 0.131 0.000 1.040 26 E HN 0.424 nan 8.360 nan 0.000 0.512 27 Q N 0.523 120.363 119.800 0.066 0.000 2.274 27 Q HA -0.001 4.339 4.340 0.000 0.000 0.280 27 Q C -0.351 175.656 176.000 0.011 0.000 1.047 27 Q CA 0.836 56.657 55.803 0.030 0.000 0.907 27 Q CB 0.094 28.850 28.738 0.031 0.000 1.171 27 Q HN 0.646 nan 8.270 nan 0.000 0.381 28 S N 2.341 118.035 115.700 -0.010 0.000 3.559 28 S HA -0.301 4.169 4.470 0.000 0.000 0.369 28 S C 0.190 174.773 174.600 -0.028 0.000 0.987 28 S CA 1.459 59.648 58.200 -0.019 0.000 1.187 28 S CB -1.630 61.566 63.200 -0.007 0.000 0.914 28 S HN 0.938 nan 8.310 nan 0.000 0.480 29 E N -0.464 119.705 120.200 -0.051 0.000 2.835 29 E HA 0.300 4.650 4.350 0.000 0.000 0.183 29 E C -0.026 176.456 176.600 -0.197 0.000 0.934 29 E CA -0.726 55.632 56.400 -0.071 0.000 1.324 29 E CB 0.082 29.776 29.700 -0.009 0.000 1.038 29 E HN 0.702 nan 8.360 nan 0.000 0.481 30 L N 3.350 124.428 121.223 -0.242 0.000 2.490 30 L HA 0.276 4.616 4.340 0.000 0.000 0.274 30 L C -1.731 174.907 176.870 -0.388 0.000 1.201 30 L CA -1.530 53.036 54.840 -0.457 0.000 0.869 30 L CB -0.207 41.577 42.059 -0.459 0.000 1.123 30 L HN 0.156 nan 8.230 nan 0.000 0.484 31 P HA 0.150 nan 4.420 nan 0.000 0.275 31 P C -0.543 176.737 177.300 -0.034 0.000 1.227 31 P CA -0.459 62.465 63.100 -0.293 0.000 0.781 31 P CB 0.970 32.448 31.700 -0.371 0.000 0.906 32 A N 3.919 126.729 122.820 -0.016 0.000 2.466 32 A HA 0.181 4.501 4.320 0.000 0.000 0.238 32 A C 0.678 178.250 177.584 -0.020 0.000 1.074 32 A CA -0.434 51.597 52.037 -0.008 0.000 0.774 32 A CB -0.514 18.450 19.000 -0.059 0.000 1.015 32 A HN 0.560 nan 8.150 nan 0.000 0.498 33 I N 1.071 121.570 120.570 -0.117 0.000 2.752 33 I HA -0.045 4.125 4.170 0.000 0.000 0.289 33 I C 0.708 176.749 176.117 -0.128 0.000 1.197 33 I CA 0.853 62.085 61.300 -0.114 0.000 1.432 33 I CB 0.104 37.992 38.000 -0.187 0.000 1.359 33 I HN 0.728 nan 8.210 nan 0.000 0.571 34 L N 2.288 123.437 121.223 -0.124 0.000 4.383 34 L HA -0.234 4.106 4.340 0.000 0.000 0.402 34 L C 0.179 176.996 176.870 -0.089 0.000 0.803 34 L CA -0.027 54.690 54.840 -0.205 0.000 2.175 34 L CB -1.517 40.277 42.059 -0.442 0.000 1.434 34 L HN 0.676 nan 8.230 nan 0.000 0.591 35 N N 1.200 119.873 118.700 -0.044 0.000 2.479 35 N HA 0.463 5.203 4.740 0.000 0.000 0.257 35 N C 0.315 175.840 175.510 0.024 0.000 1.232 35 N CA 0.928 53.973 53.050 -0.008 0.000 0.920 35 N CB 0.768 39.240 38.487 -0.023 0.000 1.105 35 N HN 0.311 nan 8.380 nan 0.000 0.444 36 A N 2.078 124.919 122.820 0.036 0.000 2.331 36 A HA 0.590 4.910 4.320 0.000 0.000 0.283 36 A C -0.368 177.249 177.584 0.055 0.000 1.142 36 A CA -0.444 51.622 52.037 0.049 0.000 0.812 36 A CB 0.092 19.120 19.000 0.046 0.000 1.074 36 A HN 0.605 nan 8.150 nan 0.000 0.497 37 L N 1.558 122.824 121.223 0.072 0.000 2.341 37 L HA 0.605 4.945 4.340 0.000 0.000 0.267 37 L C -0.101 176.810 176.870 0.070 0.000 1.009 37 L CA -0.523 54.375 54.840 0.095 0.000 0.819 37 L CB 2.035 44.182 42.059 0.147 0.000 1.323 37 L HN 0.745 nan 8.230 nan 0.000 0.425 38 E N 2.213 122.451 120.200 0.064 0.000 2.266 38 E HA 0.625 4.975 4.350 0.000 0.000 0.268 38 E C -1.328 175.292 176.600 0.033 0.000 0.879 38 E CA -0.618 55.807 56.400 0.042 0.000 0.762 38 E CB 3.231 32.952 29.700 0.034 0.000 1.199 38 E HN 0.388 nan 8.360 nan 0.000 0.422 39 I N 2.240 122.823 120.570 0.022 0.000 2.436 39 I HA 0.241 4.411 4.170 0.000 0.000 0.289 39 I C -0.192 175.930 176.117 0.008 0.000 1.010 39 I CA -0.810 60.496 61.300 0.011 0.000 1.098 39 I CB 1.724 39.727 38.000 0.005 0.000 1.266 39 I HN 0.240 nan 8.210 nan 0.000 0.434 40 K N 5.644 126.047 120.400 0.005 0.000 2.349 40 K HA 0.244 4.564 4.320 0.000 0.000 0.289 40 K C -0.173 176.428 176.600 0.001 0.000 1.064 40 K CA -0.123 56.166 56.287 0.003 0.000 0.947 40 K CB 0.514 33.015 32.500 0.002 0.000 1.007 40 K HN 0.748 nan 8.250 nan 0.000 0.478 41 T N 1.655 116.210 114.554 0.002 0.000 2.952 41 T HA 0.332 4.682 4.350 0.000 0.000 0.286 41 T C -1.794 172.906 174.700 0.000 0.000 1.024 41 T CA -1.931 60.170 62.100 0.001 0.000 1.029 41 T CB 1.389 70.258 68.868 0.002 0.000 1.094 41 T HN 0.326 nan 8.240 nan 0.000 0.515 42 P HA -0.086 nan 4.420 nan 0.000 0.216 42 P C 1.542 178.842 177.300 0.000 0.000 1.150 42 P CA 1.129 64.229 63.100 -0.001 0.000 0.837 42 P CB 0.172 31.871 31.700 -0.001 0.000 0.786 43 Q N -1.377 118.424 119.800 0.001 0.000 1.961 43 Q HA 0.110 4.450 4.340 0.000 0.000 0.197 43 Q C 1.739 177.740 176.000 0.002 0.000 0.977 43 Q CA 1.603 57.407 55.803 0.001 0.000 0.830 43 Q CB -0.460 28.279 28.738 0.002 0.000 0.896 43 Q HN 0.266 nan 8.270 nan 0.000 0.437 44 G N 0.020 108.821 108.800 0.003 0.000 3.193 44 G HA2 0.280 4.240 3.960 0.000 0.000 0.186 44 G HA3 0.280 4.240 3.960 0.000 0.000 0.186 44 G C -1.178 173.725 174.900 0.005 0.000 1.536 44 G CA -0.264 44.838 45.100 0.004 0.000 0.943 44 G HN 0.186 nan 8.290 nan 0.000 0.781 45 K N -0.635 119.769 120.400 0.006 0.000 2.502 45 K HA 0.720 5.040 4.320 0.000 0.000 0.257 45 K C -2.027 174.580 176.600 0.011 0.000 0.938 45 K CA -0.838 55.454 56.287 0.009 0.000 0.819 45 K CB 2.637 35.143 32.500 0.010 0.000 1.333 45 K HN 0.444 nan 8.250 nan 0.000 0.434 46 L N 2.673 123.903 121.223 0.012 0.000 2.287 46 L HA 0.417 4.757 4.340 0.000 0.000 0.287 46 L C -1.304 175.579 176.870 0.021 0.000 1.022 46 L CA -0.466 54.383 54.840 0.015 0.000 0.814 46 L CB 1.781 43.848 42.059 0.012 0.000 1.217 46 L HN 0.570 nan 8.230 nan 0.000 0.420 47 V N 6.464 126.392 119.914 0.024 0.000 2.509 47 V HA 0.424 4.544 4.120 0.000 0.000 0.284 47 V C 0.111 176.227 176.094 0.037 0.000 1.047 47 V CA -0.435 61.884 62.300 0.032 0.000 0.952 47 V CB 1.341 33.182 31.823 0.030 0.000 0.988 47 V HN 0.635 nan 8.190 nan 0.000 0.469 48 L N 4.039 125.290 121.223 0.047 0.000 2.346 48 L HA 0.637 4.977 4.340 0.000 0.000 0.274 48 L C -0.127 176.780 176.870 0.062 0.000 1.007 48 L CA -0.442 54.429 54.840 0.053 0.000 0.818 48 L CB 1.999 44.093 42.059 0.058 0.000 1.284 48 L HN 0.616 nan 8.230 nan 0.000 0.424 49 E N 1.896 122.133 120.200 0.061 0.000 2.151 49 E HA 0.377 4.727 4.350 0.000 0.000 0.275 49 E C -1.142 175.491 176.600 0.054 0.000 0.936 49 E CA -0.787 55.651 56.400 0.063 0.000 0.777 49 E CB 1.957 31.706 29.700 0.082 0.000 1.108 49 E HN 0.353 nan 8.360 nan 0.000 0.401 50 V N 4.056 123.999 119.914 0.048 0.000 2.529 50 V HA 0.100 4.220 4.120 0.000 0.000 0.292 50 V C 0.880 176.991 176.094 0.028 0.000 1.028 50 V CA 0.957 63.290 62.300 0.054 0.000 1.074 50 V CB 0.837 32.695 31.823 0.058 0.000 0.958 50 V HN 0.892 nan 8.190 nan 0.000 0.481 51 A N 4.151 126.997 122.820 0.042 0.000 2.026 51 A HA 0.358 4.678 4.320 0.000 0.000 0.198 51 A C 0.663 178.259 177.584 0.021 0.000 1.390 51 A CA 0.163 52.211 52.037 0.019 0.000 0.915 51 A CB 0.432 19.445 19.000 0.022 0.000 0.974 51 A HN 0.758 nan 8.150 nan 0.000 0.477 52 Q N -1.013 118.828 119.800 0.068 0.000 2.462 52 Q HA 0.379 4.719 4.340 0.000 0.000 0.285 52 Q C -1.672 174.461 176.000 0.221 0.000 1.035 52 Q CA -0.582 55.271 55.803 0.083 0.000 0.799 52 Q CB 1.877 30.648 28.738 0.056 0.000 1.452 52 Q HN 0.594 nan 8.270 nan 0.000 0.404 53 H N 1.940 121.000 119.070 -0.017 0.000 2.661 53 H HA 0.236 4.792 4.556 0.000 0.000 0.290 53 H C 0.543 175.864 175.328 -0.012 0.000 1.082 53 H CA -0.227 55.810 56.048 -0.019 0.000 1.234 53 H CB 0.890 30.633 29.762 -0.032 0.000 1.387 53 H HN 0.443 nan 8.280 nan 0.000 0.476 54 L N 2.700 123.966 121.223 0.071 0.000 2.376 54 L HA 0.068 4.408 4.340 0.000 0.000 0.219 54 L C 1.178 178.063 176.870 0.025 0.000 1.133 54 L CA 0.732 55.596 54.840 0.040 0.000 0.816 54 L CB -0.013 42.062 42.059 0.027 0.000 0.933 54 L HN 0.868 nan 8.230 nan 0.000 0.449 55 G N -0.132 108.674 108.800 0.009 0.000 2.662 55 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 55 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 55 G C -0.030 174.854 174.900 -0.027 0.000 1.271 55 G CA -0.433 44.665 45.100 -0.003 0.000 0.816 55 G HN 0.306 nan 8.290 nan 0.000 0.608 56 E N 0.136 120.320 120.200 -0.026 0.000 2.389 56 E HA -0.262 4.088 4.350 0.000 0.000 0.243 56 E C 0.775 177.305 176.600 -0.116 0.000 1.154 56 E CA 0.631 57.016 56.400 -0.026 0.000 0.723 56 E CB -1.110 28.602 29.700 0.019 0.000 1.261 56 E HN 1.163 nan 8.360 nan 0.000 0.390 57 N N -1.536 117.061 118.700 -0.172 0.000 2.714 57 N HA -0.149 4.591 4.740 0.000 0.000 0.250 57 N C -0.793 174.467 175.510 -0.416 0.000 1.117 57 N CA 1.893 54.755 53.050 -0.313 0.000 0.719 57 N CB -1.221 37.040 38.487 -0.377 0.000 1.081 57 N HN 0.273 nan 8.380 nan 0.000 0.557 58 T N 0.165 114.584 114.554 -0.225 0.000 2.792 58 T HA 0.580 4.930 4.350 0.000 0.000 0.280 58 T C 0.495 175.162 174.700 -0.055 0.000 0.990 58 T CA -0.675 61.360 62.100 -0.109 0.000 0.960 58 T CB 2.485 71.337 68.868 -0.027 0.000 0.939 58 T HN 0.147 nan 8.240 nan 0.000 0.439 59 V N 1.878 121.800 119.914 0.014 0.000 2.732 59 V HA 0.755 4.875 4.120 0.000 0.000 0.310 59 V C -0.155 175.983 176.094 0.073 0.000 1.053 59 V CA -1.337 60.985 62.300 0.036 0.000 0.957 59 V CB 1.625 33.474 31.823 0.044 0.000 1.018 59 V HN 0.820 nan 8.190 nan 0.000 0.452 60 R N 1.953 122.498 120.500 0.076 0.000 2.407 60 R HA 0.726 5.066 4.340 0.000 0.000 0.303 60 R C -0.210 176.131 176.300 0.068 0.000 0.981 60 R CA 0.258 56.395 56.100 0.062 0.000 0.905 60 R CB 1.533 31.862 30.300 0.048 0.000 1.099 60 R HN 1.168 nan 8.270 nan 0.000 0.459 61 T N 1.273 115.862 114.554 0.059 0.000 2.907 61 T HA 0.522 4.872 4.350 0.000 0.000 0.292 61 T C -0.086 174.639 174.700 0.041 0.000 1.043 61 T CA -0.859 61.275 62.100 0.057 0.000 1.003 61 T CB 1.170 70.082 68.868 0.073 0.000 1.084 61 T HN 0.420 nan 8.240 nan 0.000 0.483 62 I N 2.113 122.706 120.570 0.039 0.000 2.354 62 I HA 0.564 4.734 4.170 0.000 0.000 0.292 62 I C 0.917 177.054 176.117 0.033 0.000 0.989 62 I CA -1.077 60.242 61.300 0.031 0.000 1.188 62 I CB 1.376 39.393 38.000 0.028 0.000 1.342 62 I HN 0.966 nan 8.210 nan 0.000 0.457 63 A N 6.987 129.823 122.820 0.026 0.000 2.425 63 A HA 0.350 4.670 4.320 0.000 0.000 0.242 63 A C 0.794 178.393 177.584 0.025 0.000 1.077 63 A CA -0.041 52.010 52.037 0.025 0.000 0.781 63 A CB 0.378 19.388 19.000 0.018 0.000 1.020 63 A HN 0.768 nan 8.150 nan 0.000 0.494 64 M N 0.317 119.933 119.600 0.026 0.000 2.333 64 M HA 0.225 4.705 4.480 0.000 0.000 0.257 64 M C -0.064 176.248 176.300 0.020 0.000 1.078 64 M CA 0.367 55.682 55.300 0.026 0.000 1.005 64 M CB -0.736 31.881 32.600 0.029 0.000 1.444 64 M HN 0.813 nan 8.290 nan 0.000 0.496 65 D N -0.917 119.493 120.400 0.017 0.000 2.812 65 D HA 0.518 5.158 4.640 0.000 0.000 0.318 65 D C -0.455 175.852 176.300 0.011 0.000 1.234 65 D CA -0.216 53.792 54.000 0.013 0.000 0.989 65 D CB 1.272 42.079 40.800 0.013 0.000 1.442 65 D HN 0.094 nan 8.370 nan 0.000 0.537 66 G N -1.020 107.785 108.800 0.008 0.000 2.491 66 G HA2 0.343 4.303 3.960 0.000 0.000 0.238 66 G HA3 0.343 4.303 3.960 0.000 0.000 0.238 66 G C 0.828 175.732 174.900 0.006 0.000 1.277 66 G CA 0.536 45.640 45.100 0.006 0.000 0.851 66 G HN 0.413 nan 8.290 nan 0.000 0.573 67 T N -1.367 113.190 114.554 0.004 0.000 3.069 67 T HA 0.117 4.467 4.350 0.000 0.000 0.252 67 T C 0.804 175.505 174.700 0.001 0.000 1.053 67 T CA 0.072 62.174 62.100 0.004 0.000 0.964 67 T CB 0.021 68.891 68.868 0.004 0.000 1.005 67 T HN 0.649 nan 8.240 nan 0.000 0.532 68 E N 2.093 122.294 120.200 0.001 0.000 2.465 68 E HA 0.270 4.620 4.350 0.000 0.000 0.260 68 E C 1.127 177.726 176.600 -0.001 0.000 0.980 68 E CA 0.804 57.203 56.400 -0.000 0.000 0.927 68 E CB 0.072 29.772 29.700 -0.000 0.000 0.934 68 E HN 0.489 nan 8.360 nan 0.000 0.459 69 G N 2.905 111.704 108.800 -0.002 0.000 2.232 69 G HA2 -0.251 3.709 3.960 0.000 0.000 0.226 69 G HA3 -0.251 3.709 3.960 0.000 0.000 0.226 69 G C 0.287 175.184 174.900 -0.005 0.000 0.996 69 G CA 0.023 45.121 45.100 -0.003 0.000 0.626 69 G HN 0.491 nan 8.290 nan 0.000 0.509 70 L N 1.370 122.590 121.223 -0.004 0.000 2.453 70 L HA 0.480 4.820 4.340 0.000 0.000 0.272 70 L C 0.574 177.438 176.870 -0.009 0.000 1.182 70 L CA -0.246 54.590 54.840 -0.007 0.000 0.858 70 L CB 1.220 43.276 42.059 -0.005 0.000 1.120 70 L HN 0.027 nan 8.230 nan 0.000 0.474 71 V N 3.728 123.634 119.914 -0.013 0.000 2.628 71 V HA 0.382 4.502 4.120 0.000 0.000 0.306 71 V C 0.102 176.183 176.094 -0.021 0.000 1.045 71 V CA -0.944 61.347 62.300 -0.016 0.000 0.905 71 V CB 1.939 33.752 31.823 -0.017 0.000 0.997 71 V HN 0.667 nan 8.190 nan 0.000 0.436 72 R N 2.257 122.744 120.500 -0.022 0.000 2.449 72 R HA 0.455 4.795 4.340 0.000 0.000 0.296 72 R C 1.145 177.423 176.300 -0.036 0.000 1.047 72 R CA 0.927 57.010 56.100 -0.028 0.000 1.018 72 R CB 0.279 30.564 30.300 -0.025 0.000 0.962 72 R HN 1.199 nan 8.270 nan 0.000 0.428 73 G N 1.947 110.718 108.800 -0.047 0.000 2.163 73 G HA2 -0.267 3.693 3.960 0.000 0.000 0.213 73 G HA3 -0.267 3.693 3.960 0.000 0.000 0.213 73 G C -0.029 174.838 174.900 -0.056 0.000 0.991 73 G CA -0.208 44.858 45.100 -0.057 0.000 0.653 73 G HN 0.592 nan 8.290 nan 0.000 0.518 74 E N 0.935 121.104 120.200 -0.051 0.000 2.313 74 E HA 0.497 4.847 4.350 0.000 0.000 0.276 74 E C 0.553 177.117 176.600 -0.060 0.000 1.031 74 E CA -0.566 55.807 56.400 -0.045 0.000 0.857 74 E CB 0.387 30.068 29.700 -0.033 0.000 1.040 74 E HN 0.261 nan 8.360 nan 0.000 0.408 75 K N 2.106 122.476 120.400 -0.051 0.000 2.451 75 K HA 0.118 4.438 4.320 0.000 0.000 0.280 75 K C -1.052 175.516 176.600 -0.052 0.000 1.020 75 K CA -0.105 56.148 56.287 -0.057 0.000 1.008 75 K CB 0.804 33.284 32.500 -0.034 0.000 0.917 75 K HN 0.231 nan 8.250 nan 0.000 0.478 76 V N 5.268 125.133 119.914 -0.082 0.000 2.444 76 V HA 0.259 4.379 4.120 0.000 0.000 0.294 76 V C -0.581 175.531 176.094 0.030 0.000 1.022 76 V CA -0.972 61.302 62.300 -0.044 0.000 0.850 76 V CB 1.404 33.171 31.823 -0.093 0.000 0.992 76 V HN 0.556 nan 8.190 nan 0.000 0.426 77 L N 3.790 125.057 121.223 0.073 0.000 2.289 77 L HA 0.564 4.904 4.340 0.000 0.000 0.285 77 L C -0.042 176.918 176.870 0.150 0.000 1.049 77 L CA 0.123 55.027 54.840 0.106 0.000 0.804 77 L CB 1.397 43.494 42.059 0.062 0.000 1.195 77 L HN 0.726 nan 8.230 nan 0.000 0.428 78 D N 1.229 121.732 120.400 0.172 0.000 2.304 78 D HA 0.161 4.801 4.640 0.000 0.000 0.250 78 D C 0.768 177.102 176.300 0.056 0.000 1.107 78 D CA 0.158 54.221 54.000 0.105 0.000 0.885 78 D CB 1.487 42.312 40.800 0.042 0.000 1.192 78 D HN 0.651 nan 8.370 nan 0.000 0.436 79 T N 0.335 114.911 114.554 0.038 0.000 3.069 79 T HA 0.358 4.708 4.350 0.000 0.000 0.252 79 T C 1.463 176.169 174.700 0.011 0.000 1.053 79 T CA 0.409 62.523 62.100 0.024 0.000 0.964 79 T CB 0.102 68.985 68.868 0.025 0.000 1.005 79 T HN 0.626 nan 8.240 nan 0.000 0.532 80 G N 0.381 109.181 108.800 0.000 0.000 2.363 80 G HA2 -0.051 3.909 3.960 0.000 0.000 0.238 80 G HA3 -0.051 3.909 3.960 0.000 0.000 0.238 80 G C 0.456 175.349 174.900 -0.010 0.000 1.062 80 G CA -0.132 44.962 45.100 -0.010 0.000 0.629 80 G HN 1.183 nan 8.290 nan 0.000 0.514 81 G N -0.320 108.480 108.800 -0.001 0.000 3.105 81 G HA2 0.783 4.743 3.960 0.000 0.000 0.277 81 G HA3 0.783 4.743 3.960 0.000 0.000 0.277 81 G C -3.085 171.826 174.900 0.017 0.000 1.375 81 G CA -0.525 44.577 45.100 0.004 0.000 0.962 81 G HN 0.261 nan 8.290 nan 0.000 0.541 82 P HA 0.296 nan 4.420 nan 0.000 0.274 82 P C 0.032 177.375 177.300 0.073 0.000 1.256 82 P CA -0.530 62.619 63.100 0.082 0.000 0.795 82 P CB 0.634 32.431 31.700 0.161 0.000 1.038 83 I N 0.343 120.968 120.570 0.092 0.000 2.828 83 I HA -0.089 4.081 4.170 0.000 0.000 0.292 83 I C 0.657 176.782 176.117 0.014 0.000 1.206 83 I CA 1.040 62.367 61.300 0.045 0.000 1.420 83 I CB -0.457 37.568 38.000 0.042 0.000 1.368 83 I HN 0.227 nan 8.210 nan 0.000 0.556 84 S N 5.810 121.508 115.700 -0.003 0.000 2.616 84 S HA 0.678 5.148 4.470 0.000 0.000 0.277 84 S C -0.280 174.294 174.600 -0.043 0.000 1.234 84 S CA -0.799 57.386 58.200 -0.025 0.000 1.028 84 S CB 1.951 65.135 63.200 -0.026 0.000 0.988 84 S HN 0.511 nan 8.310 nan 0.000 0.522 85 V N -0.532 119.343 119.914 -0.066 0.000 2.841 85 V HA 0.684 4.804 4.120 0.000 0.000 0.310 85 V C -2.965 173.061 176.094 -0.115 0.000 1.090 85 V CA -2.903 59.349 62.300 -0.080 0.000 0.930 85 V CB 1.602 33.375 31.823 -0.083 0.000 1.014 85 V HN 0.633 nan 8.190 nan 0.000 0.425 86 P HA 0.323 nan 4.420 nan 0.000 0.268 86 P C -0.376 176.785 177.300 -0.231 0.000 1.205 86 P CA 0.180 63.183 63.100 -0.161 0.000 0.771 86 P CB 1.420 33.048 31.700 -0.119 0.000 0.858 87 V N -1.184 118.510 119.914 -0.367 0.000 3.074 87 V HA 0.983 5.103 4.120 0.000 0.000 0.314 87 V C 0.162 175.845 176.094 -0.686 0.000 1.117 87 V CA -0.099 61.855 62.300 -0.576 0.000 1.014 87 V CB 1.135 32.476 31.823 -0.804 0.000 1.057 87 V HN 1.027 nan 8.190 nan 0.000 0.438 88 G N 1.995 110.345 108.800 -0.751 0.000 2.466 88 G HA2 -0.111 3.849 3.960 0.000 0.000 0.316 88 G HA3 -0.111 3.849 3.960 0.000 0.000 0.316 88 G C 0.129 174.915 174.900 -0.189 0.000 1.270 88 G CA 0.045 44.872 45.100 -0.456 0.000 0.982 88 G HN 0.898 nan 8.290 nan 0.000 0.506 89 R N 0.253 120.737 120.500 -0.026 0.000 2.189 89 R HA -0.030 4.310 4.340 0.000 0.000 0.223 89 R C 1.898 178.187 176.300 -0.018 0.000 1.092 89 R CA 1.407 57.504 56.100 -0.004 0.000 0.989 89 R CB -0.113 30.180 30.300 -0.012 0.000 0.876 89 R HN 0.554 nan 8.270 nan 0.000 0.457 90 E N -0.130 120.046 120.200 -0.039 0.000 2.418 90 E HA -0.081 4.269 4.350 0.000 0.000 0.197 90 E C 1.693 178.280 176.600 -0.023 0.000 1.026 90 E CA 1.237 57.618 56.400 -0.031 0.000 0.862 90 E CB 0.013 29.685 29.700 -0.047 0.000 0.799 90 E HN 0.428 nan 8.360 nan 0.000 0.518 91 T N -1.734 112.809 114.554 -0.019 0.000 3.067 91 T HA 0.084 4.434 4.350 0.000 0.000 0.261 91 T C 1.175 175.904 174.700 0.048 0.000 1.110 91 T CA -0.097 62.007 62.100 0.006 0.000 1.113 91 T CB -0.124 68.742 68.868 -0.005 0.000 0.917 91 T HN -0.049 nan 8.240 nan 0.000 0.499 92 L N 1.868 123.120 121.223 0.048 0.000 2.453 92 L HA 0.459 4.799 4.340 0.000 0.000 0.272 92 L C 1.595 178.498 176.870 0.055 0.000 1.182 92 L CA 0.657 55.520 54.840 0.038 0.000 0.858 92 L CB 0.066 42.108 42.059 -0.029 0.000 1.120 92 L HN 0.511 nan 8.230 nan 0.000 0.474 93 G N 1.816 110.665 108.800 0.080 0.000 2.160 93 G HA2 -0.223 3.737 3.960 0.000 0.000 0.251 93 G HA3 -0.223 3.737 3.960 0.000 0.000 0.251 93 G C 0.147 175.126 174.900 0.132 0.000 1.008 93 G CA -0.230 44.938 45.100 0.113 0.000 0.724 93 G HN 0.468 nan 8.290 nan 0.000 0.514 94 R N -0.706 119.850 120.500 0.093 0.000 2.803 94 R HA 0.706 5.046 4.340 0.000 0.000 0.276 94 R C 0.119 176.432 176.300 0.023 0.000 0.978 94 R CA -1.113 55.022 56.100 0.058 0.000 0.939 94 R CB 1.222 31.542 30.300 0.032 0.000 1.179 94 R HN 0.246 nan 8.270 nan 0.000 0.472 95 I N 2.979 123.531 120.570 -0.030 0.000 2.339 95 I HA 0.412 4.582 4.170 0.000 0.000 0.290 95 I C -0.191 175.924 176.117 -0.004 0.000 0.994 95 I CA -0.667 60.615 61.300 -0.030 0.000 1.191 95 I CB 1.121 39.057 38.000 -0.107 0.000 1.343 95 I HN 0.285 nan 8.210 nan 0.000 0.458 96 I N 6.168 126.741 120.570 0.006 0.000 2.465 96 I HA 0.281 4.451 4.170 0.000 0.000 0.291 96 I C 0.037 176.165 176.117 0.017 0.000 1.014 96 I CA -0.435 60.864 61.300 -0.000 0.000 1.093 96 I CB 1.671 39.659 38.000 -0.020 0.000 1.267 96 I HN 0.628 nan 8.210 nan 0.000 0.431 97 N N 5.016 123.729 118.700 0.022 0.000 2.418 97 N HA 0.122 4.862 4.740 0.000 0.000 0.283 97 N C 0.874 176.390 175.510 0.011 0.000 1.267 97 N CA -0.645 52.425 53.050 0.034 0.000 0.975 97 N CB 0.296 38.805 38.487 0.036 0.000 1.167 97 N HN 0.351 nan 8.380 nan 0.000 0.581 98 V N -0.292 119.632 119.914 0.016 0.000 2.453 98 V HA -0.175 3.945 4.120 0.000 0.000 0.252 98 V C 1.543 177.632 176.094 -0.007 0.000 1.068 98 V CA 2.025 64.326 62.300 0.002 0.000 1.070 98 V CB -0.887 30.945 31.823 0.015 0.000 0.664 98 V HN 0.671 nan 8.190 nan 0.000 0.461 99 I N -2.214 118.355 120.570 -0.001 0.000 3.861 99 I HA 0.528 4.698 4.170 0.000 0.000 0.329 99 I C 1.310 177.420 176.117 -0.013 0.000 1.321 99 I CA 0.559 61.858 61.300 -0.003 0.000 1.126 99 I CB -0.356 37.648 38.000 0.007 0.000 1.018 99 I HN 0.288 nan 8.210 nan 0.000 0.407 100 G N 1.095 109.883 108.800 -0.020 0.000 2.136 100 G HA2 -0.255 3.705 3.960 0.000 0.000 0.242 100 G HA3 -0.255 3.705 3.960 0.000 0.000 0.242 100 G C -0.143 174.742 174.900 -0.024 0.000 0.989 100 G CA -0.014 45.068 45.100 -0.030 0.000 0.682 100 G HN 0.640 nan 8.290 nan 0.000 0.522 101 E N 1.509 121.702 120.200 -0.013 0.000 2.197 101 E HA 0.370 4.720 4.350 0.000 0.000 0.281 101 E C -2.269 174.327 176.600 -0.006 0.000 0.995 101 E CA -2.036 54.358 56.400 -0.009 0.000 0.808 101 E CB 1.725 31.423 29.700 -0.003 0.000 1.093 101 E HN 0.156 nan 8.360 nan 0.000 0.394 102 P HA 0.002 nan 4.420 nan 0.000 0.267 102 P C 0.185 177.482 177.300 -0.006 0.000 1.205 102 P CA 0.458 63.554 63.100 -0.007 0.000 0.765 102 P CB 0.269 31.965 31.700 -0.006 0.000 0.828 103 I N -0.126 120.438 120.570 -0.011 0.000 3.936 103 I HA 0.233 4.403 4.170 0.000 0.000 0.330 103 I C 0.091 176.184 176.117 -0.040 0.000 1.509 103 I CA -0.264 61.026 61.300 -0.016 0.000 1.126 103 I CB -0.112 37.887 38.000 -0.002 0.000 1.115 103 I HN 0.034 nan 8.210 nan 0.000 0.424 104 D N 0.225 120.600 120.400 -0.042 0.000 2.395 104 D HA 0.031 4.671 4.640 0.000 0.000 0.213 104 D C 0.479 176.785 176.300 0.010 0.000 1.110 104 D CA -0.201 53.770 54.000 -0.049 0.000 0.835 104 D CB -0.111 40.643 40.800 -0.077 0.000 0.965 104 D HN 0.450 nan 8.370 nan 0.000 0.505 105 E N -0.388 119.817 120.200 0.008 0.000 2.722 105 E HA -0.272 4.078 4.350 0.000 0.000 0.265 105 E C 0.543 177.159 176.600 0.026 0.000 1.081 105 E CA 0.317 56.727 56.400 0.017 0.000 0.781 105 E CB -1.007 28.705 29.700 0.020 0.000 1.372 105 E HN 0.397 nan 8.360 nan 0.000 0.423 106 R N -0.220 120.297 120.500 0.028 0.000 2.393 106 R HA 0.259 4.599 4.340 0.000 0.000 0.244 106 R C 0.903 177.216 176.300 0.021 0.000 0.920 106 R CA 0.447 56.567 56.100 0.033 0.000 1.076 106 R CB 1.066 31.395 30.300 0.049 0.000 1.119 106 R HN 0.309 nan 8.270 nan 0.000 0.524 107 G N 1.637 110.445 108.800 0.014 0.000 2.526 107 G HA2 -0.180 3.780 3.960 0.000 0.000 0.250 107 G HA3 -0.180 3.780 3.960 0.000 0.000 0.250 107 G C -2.798 172.104 174.900 0.003 0.000 1.289 107 G CA -1.236 43.869 45.100 0.008 0.000 0.947 107 G HN 0.008 nan 8.290 nan 0.000 0.517 108 P HA 0.558 nan 4.420 nan 0.000 0.277 108 P C -0.090 177.205 177.300 -0.009 0.000 1.240 108 P CA -0.443 62.653 63.100 -0.006 0.000 0.798 108 P CB 0.555 32.250 31.700 -0.008 0.000 0.979 109 I N 2.388 122.948 120.570 -0.017 0.000 2.278 109 I HA 0.114 4.284 4.170 0.000 0.000 0.296 109 I C 0.912 177.009 176.117 -0.033 0.000 1.121 109 I CA -0.055 61.231 61.300 -0.024 0.000 1.267 109 I CB -0.136 37.844 38.000 -0.033 0.000 1.447 109 I HN 0.075 nan 8.210 nan 0.000 0.509 110 K N 5.200 125.584 120.400 -0.027 0.000 2.715 110 K HA 0.098 4.418 4.320 0.000 0.000 0.248 110 K C 0.360 176.935 176.600 -0.042 0.000 1.276 110 K CA -0.187 56.083 56.287 -0.029 0.000 1.209 110 K CB -0.150 32.339 32.500 -0.017 0.000 1.509 110 K HN 0.652 nan 8.250 nan 0.000 0.261 111 S N -0.225 115.437 115.700 -0.063 0.000 2.554 111 S HA 0.205 4.675 4.470 0.000 0.000 0.278 111 S C 0.995 175.541 174.600 -0.091 0.000 1.242 111 S CA -0.813 57.331 58.200 -0.093 0.000 1.051 111 S CB 1.778 64.893 63.200 -0.143 0.000 0.986 111 S HN 0.303 nan 8.310 nan 0.000 0.502 112 K N 1.134 121.480 120.400 -0.090 0.000 2.103 112 K HA 0.058 4.378 4.320 0.000 0.000 0.207 112 K C 0.086 176.633 176.600 -0.087 0.000 1.048 112 K CA 1.079 57.325 56.287 -0.069 0.000 0.930 112 K CB -0.418 32.055 32.500 -0.045 0.000 0.716 112 K HN 0.567 nan 8.250 nan 0.000 0.444 113 L N 0.480 121.614 121.223 -0.149 0.000 2.370 113 L HA 0.411 4.751 4.340 0.000 0.000 0.266 113 L C -0.487 176.268 176.870 -0.192 0.000 1.002 113 L CA -0.956 53.788 54.840 -0.159 0.000 0.818 113 L CB 2.238 44.185 42.059 -0.186 0.000 1.325 113 L HN -0.092 nan 8.230 nan 0.000 0.418 114 R N 1.563 121.982 120.500 -0.134 0.000 2.711 114 R HA 0.652 4.992 4.340 0.000 0.000 0.284 114 R C -1.126 175.113 176.300 -0.101 0.000 0.968 114 R CA -0.959 55.066 56.100 -0.125 0.000 0.924 114 R CB 2.640 32.891 30.300 -0.082 0.000 1.162 114 R HN 0.463 nan 8.270 nan 0.000 0.465 115 K N 1.995 122.334 120.400 -0.101 0.000 2.375 115 K HA 0.428 4.748 4.320 0.000 0.000 0.249 115 K C -2.641 173.933 176.600 -0.043 0.000 0.942 115 K CA -2.193 54.056 56.287 -0.062 0.000 0.806 115 K CB 2.386 34.850 32.500 -0.061 0.000 1.227 115 K HN 0.253 nan 8.250 nan 0.000 0.430 116 P HA 0.038 nan 4.420 nan 0.000 0.268 116 P C 0.610 177.894 177.300 -0.026 0.000 1.205 116 P CA -0.081 63.023 63.100 0.005 0.000 0.771 116 P CB 0.281 32.006 31.700 0.041 0.000 0.858 117 I N -0.659 119.870 120.570 -0.069 0.000 3.001 117 I HA -0.014 4.156 4.170 0.000 0.000 0.268 117 I C 0.260 176.201 176.117 -0.294 0.000 1.267 117 I CA 0.876 62.061 61.300 -0.192 0.000 1.472 117 I CB -0.554 37.295 38.000 -0.252 0.000 1.089 117 I HN 0.255 nan 8.210 nan 0.000 0.468 118 H N 2.512 121.571 119.070 -0.019 0.000 2.488 118 H HA 0.795 5.351 4.556 0.000 0.000 0.322 118 H C -0.539 174.778 175.328 -0.018 0.000 1.078 118 H CA -0.300 55.738 56.048 -0.017 0.000 1.260 118 H CB 1.663 31.419 29.762 -0.009 0.000 1.425 118 H HN 0.382 nan 8.280 nan 0.000 0.471 119 A N 3.392 126.257 122.820 0.076 0.000 2.574 119 A HA 0.273 4.593 4.320 0.000 0.000 0.297 119 A C -0.923 176.678 177.584 0.028 0.000 1.062 119 A CA -0.996 51.064 52.037 0.039 0.000 0.686 119 A CB 1.447 20.454 19.000 0.012 0.000 1.285 119 A HN 0.566 nan 8.150 nan 0.000 0.403 120 D N 2.762 123.175 120.400 0.022 0.000 2.399 120 D HA 0.382 5.022 4.640 0.000 0.000 0.241 120 D C -2.014 174.292 176.300 0.010 0.000 1.133 120 D CA -0.198 53.813 54.000 0.018 0.000 0.890 120 D CB 0.561 41.371 40.800 0.016 0.000 1.201 120 D HN 0.351 nan 8.370 nan 0.000 0.432 121 P HA 0.230 nan 4.420 nan 0.000 0.274 121 P C -2.566 174.742 177.300 0.014 0.000 1.231 121 P CA -1.190 61.915 63.100 0.007 0.000 0.790 121 P CB -0.362 31.346 31.700 0.014 0.000 0.951 122 P HA -0.014 nan 4.420 nan 0.000 0.265 122 P C 0.605 177.921 177.300 0.026 0.000 1.187 122 P CA 0.254 63.358 63.100 0.007 0.000 0.766 122 P CB 0.109 31.804 31.700 -0.007 0.000 0.820 123 S N 2.552 118.270 115.700 0.031 0.000 2.612 123 S HA -0.008 4.462 4.470 0.000 0.000 0.253 123 S C 1.001 175.655 174.600 0.091 0.000 1.346 123 S CA -0.238 58.003 58.200 0.068 0.000 0.976 123 S CB -0.163 63.075 63.200 0.063 0.000 0.949 123 S HN 0.405 nan 8.310 nan 0.000 0.584 124 F N 1.412 121.361 119.950 -0.000 0.000 2.146 124 F HA 0.086 4.613 4.527 0.000 0.000 0.298 124 F C 2.456 178.255 175.800 -0.002 0.000 1.096 124 F CA 1.497 59.497 58.000 -0.000 0.000 1.275 124 F CB -1.118 37.882 39.000 -0.000 0.000 1.008 124 F HN 0.702 nan 8.300 nan 0.000 0.480 125 A N -0.182 122.623 122.820 -0.026 0.000 2.024 125 A HA -0.203 4.117 4.320 0.000 0.000 0.220 125 A C 2.052 179.547 177.584 -0.149 0.000 1.164 125 A CA 1.845 53.816 52.037 -0.110 0.000 0.643 125 A CB -0.822 18.186 19.000 0.013 0.000 0.806 125 A HN 0.596 nan 8.150 nan 0.000 0.451 126 E N -0.209 119.925 120.200 -0.110 0.000 2.481 126 E HA -0.021 4.329 4.350 0.000 0.000 0.195 126 E C 0.069 176.602 176.600 -0.112 0.000 1.047 126 E CA -0.234 56.114 56.400 -0.086 0.000 0.867 126 E CB 0.098 29.771 29.700 -0.045 0.000 0.858 126 E HN 0.568 nan 8.360 nan 0.000 0.513 127 Q N 0.399 120.091 119.800 -0.181 0.000 2.432 127 Q HA 0.092 4.432 4.340 0.000 0.000 0.264 127 Q C -0.185 175.729 176.000 -0.144 0.000 1.035 127 Q CA 0.400 56.100 55.803 -0.171 0.000 0.908 127 Q CB 1.512 30.095 28.738 -0.258 0.000 1.280 127 Q HN -0.048 nan 8.270 nan 0.000 0.455 128 S N 0.814 116.455 115.700 -0.098 0.000 2.673 128 S HA 0.316 4.786 4.470 0.000 0.000 0.256 128 S C -0.785 173.781 174.600 -0.057 0.000 1.141 128 S CA -0.647 57.507 58.200 -0.076 0.000 1.109 128 S CB 0.361 63.526 63.200 -0.057 0.000 1.101 128 S HN 0.553 nan 8.310 nan 0.000 0.471 129 T N 1.970 116.490 114.554 -0.056 0.000 2.889 129 T HA 0.765 5.115 4.350 0.000 0.000 0.291 129 T C 0.102 174.786 174.700 -0.027 0.000 0.995 129 T CA -0.454 61.624 62.100 -0.036 0.000 1.092 129 T CB 1.199 70.047 68.868 -0.034 0.000 0.954 129 T HN 1.046 nan 8.240 nan 0.000 0.506 130 S N 0.288 115.978 115.700 -0.017 0.000 2.570 130 S HA 0.698 5.168 4.470 0.000 0.000 0.270 130 S C -0.526 174.071 174.600 -0.005 0.000 1.149 130 S CA -0.782 57.410 58.200 -0.012 0.000 0.837 130 S CB 1.397 64.590 63.200 -0.012 0.000 1.124 130 S HN 1.388 nan 8.310 nan 0.000 0.465 131 A N 0.767 123.585 122.820 -0.004 0.000 3.113 131 A HA 0.554 4.874 4.320 0.000 0.000 0.307 131 A C -0.044 177.542 177.584 0.003 0.000 1.025 131 A CA -0.395 51.642 52.037 -0.001 0.000 1.012 131 A CB -0.329 18.667 19.000 -0.008 0.000 1.085 131 A HN 0.757 nan 8.150 nan 0.000 0.519 132 E N 0.659 120.865 120.200 0.009 0.000 2.197 132 E HA 0.461 4.811 4.350 0.000 0.000 0.281 132 E C -0.973 175.644 176.600 0.029 0.000 0.995 132 E CA -0.534 55.874 56.400 0.014 0.000 0.808 132 E CB 1.136 30.842 29.700 0.011 0.000 1.093 132 E HN 0.597 nan 8.360 nan 0.000 0.394 133 I N 5.016 125.604 120.570 0.030 0.000 2.395 133 I HA 0.148 4.318 4.170 0.000 0.000 0.289 133 I C -1.030 175.124 176.117 0.061 0.000 1.023 133 I CA -0.617 60.709 61.300 0.045 0.000 1.350 133 I CB 0.622 38.638 38.000 0.027 0.000 1.409 133 I HN 0.461 nan 8.210 nan 0.000 0.507 134 L N 8.188 129.467 121.223 0.093 0.000 2.283 134 L HA 0.377 4.717 4.340 0.000 0.000 0.281 134 L C -0.097 176.829 176.870 0.094 0.000 1.033 134 L CA -0.061 54.844 54.840 0.109 0.000 0.848 134 L CB 0.849 43.002 42.059 0.155 0.000 1.226 134 L HN 0.636 nan 8.230 nan 0.000 0.429 135 E N 2.129 122.367 120.200 0.064 0.000 2.328 135 E HA 0.024 4.374 4.350 0.000 0.000 0.265 135 E C 0.470 177.091 176.600 0.034 0.000 1.057 135 E CA 0.553 56.977 56.400 0.039 0.000 0.916 135 E CB 0.810 30.532 29.700 0.036 0.000 0.993 135 E HN 0.809 nan 8.360 nan 0.000 0.446 136 T N 1.173 115.725 114.554 -0.002 0.000 3.040 136 T HA 0.223 4.573 4.350 0.000 0.000 0.252 136 T C 1.442 176.124 174.700 -0.030 0.000 1.064 136 T CA 0.385 62.481 62.100 -0.007 0.000 1.110 136 T CB 0.229 69.063 68.868 -0.056 0.000 0.921 136 T HN 0.699 nan 8.240 nan 0.000 0.480 137 G N 1.528 110.312 108.800 -0.027 0.000 2.157 137 G HA2 -0.191 3.769 3.960 0.000 0.000 0.248 137 G HA3 -0.191 3.769 3.960 0.000 0.000 0.248 137 G C -0.038 174.852 174.900 -0.016 0.000 0.979 137 G CA 0.046 45.134 45.100 -0.020 0.000 0.650 137 G HN 0.651 nan 8.290 nan 0.000 0.529 138 I N 1.013 121.567 120.570 -0.027 0.000 2.297 138 I HA 0.265 4.435 4.170 0.000 0.000 0.291 138 I C 1.617 177.740 176.117 0.010 0.000 1.033 138 I CA -0.760 60.556 61.300 0.026 0.000 1.253 138 I CB 1.247 39.263 38.000 0.026 0.000 1.396 138 I HN -0.003 nan 8.210 nan 0.000 0.476 139 K N 3.604 124.012 120.400 0.012 0.000 2.015 139 K HA -0.216 4.104 4.320 0.000 0.000 0.216 139 K C 1.858 178.404 176.600 -0.090 0.000 1.052 139 K CA 1.611 57.873 56.287 -0.042 0.000 0.937 139 K CB -0.200 32.273 32.500 -0.044 0.000 0.719 139 K HN 0.562 nan 8.250 nan 0.000 0.446 140 V N 1.063 120.957 119.914 -0.033 0.000 2.332 140 V HA -0.224 3.896 4.120 0.000 0.000 0.248 140 V C 2.107 178.176 176.094 -0.041 0.000 1.055 140 V CA 1.665 63.937 62.300 -0.046 0.000 1.038 140 V CB -0.037 31.817 31.823 0.052 0.000 0.651 140 V HN 0.153 nan 8.190 nan 0.000 0.450 141 V N 0.277 120.183 119.914 -0.013 0.000 2.270 141 V HA -0.190 3.930 4.120 0.000 0.000 0.245 141 V C 2.365 178.382 176.094 -0.128 0.000 1.043 141 V CA 2.398 64.630 62.300 -0.113 0.000 1.014 141 V CB -0.803 30.848 31.823 -0.286 0.000 0.645 141 V HN 0.571 nan 8.190 nan 0.000 0.447 142 D N -0.253 120.087 120.400 -0.100 0.000 2.182 142 D HA -0.144 4.496 4.640 0.000 0.000 0.201 142 D C 1.862 178.197 176.300 0.058 0.000 0.986 142 D CA 1.170 55.156 54.000 -0.023 0.000 0.847 142 D CB -0.073 40.718 40.800 -0.015 0.000 0.942 142 D HN 0.359 nan 8.370 nan 0.000 0.467 143 L N -0.382 120.807 121.223 -0.057 0.000 2.084 143 L HA 0.070 4.410 4.340 0.000 0.000 0.202 143 L C 1.920 178.807 176.870 0.028 0.000 1.074 143 L CA 1.298 56.069 54.840 -0.114 0.000 0.757 143 L CB -0.125 41.682 42.059 -0.420 0.000 0.918 143 L HN -0.055 nan 8.230 nan 0.000 0.444 144 L N -0.981 120.216 121.223 -0.044 0.000 2.470 144 L HA 0.386 4.726 4.340 0.000 0.000 0.219 144 L C 0.500 177.381 176.870 0.018 0.000 1.071 144 L CA 0.461 55.283 54.840 -0.030 0.000 0.850 144 L CB 0.083 42.099 42.059 -0.071 0.000 1.040 144 L HN 0.246 nan 8.230 nan 0.000 0.475 145 A N 0.729 123.567 122.820 0.030 0.000 3.307 145 A HA 0.447 4.767 4.320 0.000 0.000 0.289 145 A C -2.707 174.920 177.584 0.071 0.000 1.138 145 A CA -0.794 51.285 52.037 0.071 0.000 0.860 145 A CB -0.075 18.989 19.000 0.107 0.000 1.318 145 A HN -0.182 nan 8.150 nan 0.000 0.551 146 P HA 0.212 nan 4.420 nan 0.000 0.271 146 P C -0.647 176.759 177.300 0.178 0.000 1.216 146 P CA 0.337 63.450 63.100 0.023 0.000 0.776 146 P CB 0.415 32.126 31.700 0.018 0.000 0.881 147 Y N 0.908 121.248 120.300 0.067 0.000 2.357 147 Y HA 0.385 4.935 4.550 0.000 0.000 0.340 147 Y C 1.181 177.103 175.900 0.037 0.000 1.260 147 Y CA -1.291 56.843 58.100 0.057 0.000 1.425 147 Y CB -0.191 38.311 38.460 0.071 0.000 1.326 147 Y HN 0.399 nan 8.280 nan 0.000 0.580 148 A N 2.707 125.638 122.820 0.186 0.000 2.337 148 A HA 0.626 4.946 4.320 0.000 0.000 0.329 148 A C -0.120 177.504 177.584 0.067 0.000 1.146 148 A CA -1.013 51.081 52.037 0.095 0.000 0.800 148 A CB 0.557 19.591 19.000 0.057 0.000 1.220 148 A HN 0.796 nan 8.150 nan 0.000 0.472 149 R N 0.947 121.480 120.500 0.056 0.000 2.449 149 R HA 0.385 4.725 4.340 0.000 0.000 0.296 149 R C 1.351 177.663 176.300 0.019 0.000 1.047 149 R CA 1.719 57.845 56.100 0.044 0.000 1.018 149 R CB 0.204 30.529 30.300 0.041 0.000 0.962 149 R HN 1.669 nan 8.270 nan 0.000 0.428 150 G N 2.218 111.022 108.800 0.007 0.000 2.175 150 G HA2 -0.266 3.694 3.960 0.000 0.000 0.265 150 G HA3 -0.266 3.694 3.960 0.000 0.000 0.265 150 G C 0.371 175.254 174.900 -0.028 0.000 0.979 150 G CA 0.173 45.266 45.100 -0.013 0.000 0.663 150 G HN 0.876 nan 8.290 nan 0.000 0.533 151 G N -0.793 107.991 108.800 -0.028 0.000 2.502 151 G HA2 0.592 4.552 3.960 0.000 0.000 0.305 151 G HA3 0.592 4.552 3.960 0.000 0.000 0.305 151 G C -0.166 174.689 174.900 -0.075 0.000 1.190 151 G CA -0.749 44.330 45.100 -0.034 0.000 0.933 151 G HN 0.351 nan 8.290 nan 0.000 0.503 152 K N 0.168 120.527 120.400 -0.067 0.000 2.234 152 K HA 0.436 4.756 4.320 0.000 0.000 0.277 152 K C -0.769 175.756 176.600 -0.125 0.000 1.038 152 K CA -0.089 56.141 56.287 -0.094 0.000 0.888 152 K CB 1.664 34.135 32.500 -0.049 0.000 1.091 152 K HN 0.263 nan 8.250 nan 0.000 0.467 153 I N 1.396 121.840 120.570 -0.210 0.000 2.465 153 I HA 0.357 4.527 4.170 0.000 0.000 0.291 153 I C 0.231 176.196 176.117 -0.254 0.000 1.014 153 I CA -0.709 60.404 61.300 -0.312 0.000 1.093 153 I CB 2.232 39.864 38.000 -0.613 0.000 1.267 153 I HN 0.618 nan 8.210 nan 0.000 0.431 154 G N 6.242 114.916 108.800 -0.209 0.000 2.495 154 G HA2 0.742 4.702 3.960 0.000 0.000 0.318 154 G HA3 0.742 4.702 3.960 0.000 0.000 0.318 154 G C -1.083 173.643 174.900 -0.291 0.000 1.257 154 G CA -0.546 44.376 45.100 -0.297 0.000 0.962 154 G HN 0.445 nan 8.290 nan 0.000 0.483 155 L N 2.050 123.052 121.223 -0.369 0.000 2.301 155 L HA 0.406 4.746 4.340 0.000 0.000 0.278 155 L C -0.837 175.825 176.870 -0.348 0.000 1.022 155 L CA -0.570 54.107 54.840 -0.272 0.000 0.854 155 L CB 0.818 42.759 42.059 -0.197 0.000 1.226 155 L HN 0.340 nan 8.230 nan 0.000 0.429 156 F N 1.431 121.300 119.950 -0.134 0.000 2.396 156 F HA 0.713 5.240 4.527 0.000 0.000 0.343 156 F C 1.023 176.776 175.800 -0.078 0.000 1.104 156 F CA -0.286 57.638 58.000 -0.127 0.000 1.161 156 F CB 1.779 40.687 39.000 -0.153 0.000 1.146 156 F HN 0.419 nan 8.300 nan 0.000 0.522 157 G N 1.041 109.876 108.800 0.057 0.000 2.691 157 G HA2 0.478 4.438 3.960 0.000 0.000 0.298 157 G HA3 0.478 4.438 3.960 0.000 0.000 0.298 157 G C -0.756 174.101 174.900 -0.072 0.000 1.471 157 G CA -0.483 44.632 45.100 0.023 0.000 0.912 157 G HN 0.916 nan 8.290 nan 0.000 0.553 158 G N -0.329 108.422 108.800 -0.082 0.000 2.653 158 G HA2 0.658 4.618 3.960 0.000 0.000 0.265 158 G HA3 0.658 4.618 3.960 0.000 0.000 0.265 158 G C 0.795 175.712 174.900 0.029 0.000 1.237 158 G CA 0.390 45.402 45.100 -0.146 0.000 0.946 158 G HN 1.718 nan 8.290 nan 0.000 0.522 159 A N -1.027 121.875 122.820 0.136 0.000 2.548 159 A HA 0.506 4.826 4.320 0.000 0.000 0.247 159 A C 1.544 179.211 177.584 0.138 0.000 1.067 159 A CA 1.123 53.311 52.037 0.252 0.000 0.757 159 A CB -0.644 18.514 19.000 0.262 0.000 0.996 159 A HN 2.592 nan 8.150 nan 0.000 0.504 160 G N 0.829 109.707 108.800 0.130 0.000 2.160 160 G HA2 -0.149 3.811 3.960 0.000 0.000 0.244 160 G HA3 -0.149 3.811 3.960 0.000 0.000 0.244 160 G C 0.664 175.627 174.900 0.105 0.000 1.022 160 G CA 0.783 45.939 45.100 0.093 0.000 0.741 160 G HN 2.177 nan 8.290 nan 0.000 0.508 161 V N -3.762 116.226 119.914 0.124 0.000 3.471 161 V HA 0.670 4.790 4.120 0.000 0.000 0.258 161 V C 1.705 177.935 176.094 0.227 0.000 1.192 161 V CA 1.411 63.803 62.300 0.152 0.000 1.116 161 V CB 0.456 32.340 31.823 0.102 0.000 0.792 161 V HN 2.100 nan 8.190 nan 0.000 0.459 162 G N 0.236 109.154 108.800 0.197 0.000 2.200 162 G HA2 -0.154 3.806 3.960 0.000 0.000 0.145 162 G HA3 -0.154 3.806 3.960 0.000 0.000 0.145 162 G C 0.583 175.656 174.900 0.287 0.000 1.021 162 G CA 0.167 45.413 45.100 0.245 0.000 0.720 162 G HN 0.391 nan 8.290 nan 0.000 0.494 163 K N 0.097 120.624 120.400 0.211 0.000 2.001 163 K HA -0.118 4.202 4.320 0.000 0.000 0.214 163 K C 2.524 179.271 176.600 0.246 0.000 1.050 163 K CA 2.116 58.519 56.287 0.194 0.000 0.934 163 K CB -0.394 32.186 32.500 0.133 0.000 0.718 163 K HN 0.286 nan 8.250 nan 0.000 0.443 164 T N 1.222 115.903 114.554 0.213 0.000 2.746 164 T HA -0.107 4.243 4.350 0.000 0.000 0.267 164 T C 2.083 176.918 174.700 0.224 0.000 1.039 164 T CA 1.346 63.574 62.100 0.213 0.000 1.142 164 T CB -0.233 68.743 68.868 0.180 0.000 0.866 164 T HN -0.038 nan 8.240 nan 0.000 0.444 165 V N 0.724 120.781 119.914 0.238 0.000 2.407 165 V HA -0.113 4.007 4.120 0.000 0.000 0.248 165 V C 1.985 178.246 176.094 0.279 0.000 1.055 165 V CA 1.439 63.893 62.300 0.256 0.000 1.049 165 V CB -0.729 31.248 31.823 0.257 0.000 0.662 165 V HN 0.363 nan 8.190 nan 0.000 0.455 166 F N 0.028 120.111 119.950 0.221 0.000 2.084 166 F HA -0.127 4.400 4.527 0.000 0.000 0.296 166 F C 2.143 177.995 175.800 0.086 0.000 1.111 166 F CA 1.621 59.741 58.000 0.199 0.000 1.224 166 F CB -0.209 38.945 39.000 0.258 0.000 0.991 166 F HN 0.000 nan 8.300 nan 0.000 0.471 167 I N 0.017 120.824 120.570 0.395 0.000 2.264 167 I HA -0.374 3.796 4.170 0.000 0.000 0.248 167 I C 2.281 178.439 176.117 0.068 0.000 1.111 167 I CA 1.553 63.019 61.300 0.277 0.000 1.382 167 I CB -0.291 37.880 38.000 0.285 0.000 1.060 167 I HN 0.278 nan 8.210 nan 0.000 0.418 168 Q N -0.380 119.443 119.800 0.038 0.000 2.167 168 Q HA -0.278 4.062 4.340 0.000 0.000 0.202 168 Q C 1.997 177.909 176.000 -0.147 0.000 0.970 168 Q CA 1.573 57.334 55.803 -0.070 0.000 0.855 168 Q CB -0.036 28.695 28.738 -0.012 0.000 0.911 168 Q HN 0.398 nan 8.270 nan 0.000 0.438 169 E N 0.845 120.912 120.200 -0.223 0.000 2.072 169 E HA -0.121 4.229 4.350 0.000 0.000 0.190 169 E C 1.749 178.160 176.600 -0.316 0.000 0.982 169 E CA 0.810 56.953 56.400 -0.427 0.000 0.803 169 E CB -0.131 28.934 29.700 -1.059 0.000 0.755 169 E HN 0.263 nan 8.360 nan 0.000 0.453 170 L N 0.155 121.262 121.223 -0.193 0.000 2.012 170 L HA -0.192 4.148 4.340 0.000 0.000 0.210 170 L C 2.518 179.382 176.870 -0.010 0.000 1.073 170 L CA 1.316 56.158 54.840 0.004 0.000 0.748 170 L CB -0.517 41.699 42.059 0.261 0.000 0.891 170 L HN 0.210 nan 8.230 nan 0.000 0.431 171 I N 0.002 120.462 120.570 -0.183 0.000 2.194 171 I HA -0.348 3.822 4.170 0.000 0.000 0.246 171 I C 2.296 178.330 176.117 -0.137 0.000 1.093 171 I CA 1.698 62.819 61.300 -0.298 0.000 1.355 171 I CB -0.437 37.256 38.000 -0.512 0.000 1.046 171 I HN 0.355 nan 8.210 nan 0.000 0.413 172 N N 0.745 119.361 118.700 -0.140 0.000 2.166 172 N HA -0.161 4.579 4.740 0.000 0.000 0.186 172 N C 1.517 176.984 175.510 -0.072 0.000 1.019 172 N CA 1.457 54.443 53.050 -0.107 0.000 0.856 172 N CB 0.034 38.446 38.487 -0.125 0.000 0.993 172 N HN 0.273 nan 8.380 nan 0.000 0.426 173 N N -0.091 118.566 118.700 -0.071 0.000 2.240 173 N HA 0.043 4.783 4.740 0.000 0.000 0.187 173 N C 1.518 177.038 175.510 0.018 0.000 1.042 173 N CA 0.679 53.706 53.050 -0.038 0.000 0.861 173 N CB -0.343 38.106 38.487 -0.064 0.000 1.026 173 N HN 0.146 nan 8.380 nan 0.000 0.441 174 I N 1.633 122.239 120.570 0.060 0.000 2.202 174 I HA -0.082 4.088 4.170 0.000 0.000 0.242 174 I C 2.271 178.469 176.117 0.135 0.000 1.091 174 I CA 0.796 62.167 61.300 0.119 0.000 1.368 174 I CB -1.670 36.440 38.000 0.183 0.000 1.058 174 I HN 0.010 nan 8.210 nan 0.000 0.410 175 A N 1.159 124.055 122.820 0.128 0.000 1.940 175 A HA -0.222 4.098 4.320 0.000 0.000 0.219 175 A C 2.356 180.007 177.584 0.111 0.000 1.176 175 A CA 1.707 53.821 52.037 0.128 0.000 0.631 175 A CB -0.499 18.559 19.000 0.098 0.000 0.814 175 A HN 0.418 nan 8.150 nan 0.000 0.446 176 K N -0.255 120.184 120.400 0.066 0.000 2.025 176 K HA 0.053 4.373 4.320 0.000 0.000 0.207 176 K C 2.283 178.912 176.600 0.049 0.000 1.049 176 K CA 1.048 57.362 56.287 0.044 0.000 0.933 176 K CB -0.344 32.166 32.500 0.016 0.000 0.714 176 K HN 0.391 nan 8.250 nan 0.000 0.438 177 A N 1.568 124.422 122.820 0.057 0.000 1.978 177 A HA -0.152 4.168 4.320 0.000 0.000 0.220 177 A C 1.031 178.646 177.584 0.052 0.000 1.170 177 A CA 0.930 52.995 52.037 0.046 0.000 0.636 177 A CB -0.672 18.357 19.000 0.048 0.000 0.810 177 A HN 0.321 nan 8.150 nan 0.000 0.448 178 H N -0.865 118.203 119.070 -0.004 0.000 2.707 178 H HA 0.289 4.845 4.556 0.000 0.000 0.359 178 H C 1.194 176.488 175.328 -0.057 0.000 1.113 178 H CA 0.885 56.919 56.048 -0.023 0.000 1.422 178 H CB 1.141 30.903 29.762 -0.001 0.000 1.443 178 H HN 0.109 nan 8.280 nan 0.000 0.591 179 G N 2.495 111.064 108.800 -0.385 0.000 2.848 179 G HA2 0.101 4.061 3.960 0.000 0.000 0.213 179 G HA3 0.101 4.061 3.960 0.000 0.000 0.213 179 G C 0.858 175.571 174.900 -0.311 0.000 1.101 179 G CA 0.459 45.404 45.100 -0.259 0.000 0.778 179 G HN 0.730 nan 8.290 nan 0.000 0.536 180 G N 0.096 108.695 108.800 -0.336 0.000 2.624 180 G HA2 0.463 4.423 3.960 0.000 0.000 0.217 180 G HA3 0.463 4.423 3.960 0.000 0.000 0.217 180 G C -0.658 173.988 174.900 -0.425 0.000 1.506 180 G CA -0.588 44.274 45.100 -0.397 0.000 1.072 180 G HN 0.028 nan 8.290 nan 0.000 0.568 181 F N -0.790 119.129 119.950 -0.052 0.000 2.507 181 F HA 0.644 5.171 4.527 0.000 0.000 0.327 181 F C 0.575 176.249 175.800 -0.210 0.000 1.068 181 F CA -0.745 57.103 58.000 -0.254 0.000 0.965 181 F CB 2.207 40.748 39.000 -0.765 0.000 1.192 181 F HN 0.132 nan 8.300 nan 0.000 0.476 182 S N 0.719 116.457 115.700 0.064 0.000 2.537 182 S HA 0.786 5.256 4.470 0.000 0.000 0.301 182 S C -1.062 173.605 174.600 0.112 0.000 1.092 182 S CA -0.701 57.549 58.200 0.082 0.000 1.048 182 S CB 1.982 65.294 63.200 0.187 0.000 1.053 182 S HN 0.314 nan 8.310 nan 0.000 0.501 183 V N 3.315 123.316 119.914 0.145 0.000 2.483 183 V HA 0.482 4.602 4.120 0.000 0.000 0.297 183 V C -1.180 175.039 176.094 0.208 0.000 1.027 183 V CA -0.659 61.734 62.300 0.154 0.000 0.855 183 V CB 1.263 33.159 31.823 0.122 0.000 0.995 183 V HN 0.835 nan 8.190 nan 0.000 0.424 184 F N 3.555 123.530 119.950 0.042 0.000 2.427 184 F HA 0.685 5.212 4.527 0.000 0.000 0.346 184 F C 0.320 176.017 175.800 -0.172 0.000 1.120 184 F CA 0.019 58.023 58.000 0.007 0.000 1.033 184 F CB 1.735 40.721 39.000 -0.023 0.000 1.126 184 F HN 0.462 nan 8.300 nan 0.000 0.462 185 T N 4.751 118.904 114.554 -0.668 0.000 2.786 185 T HA 0.505 4.855 4.350 0.000 0.000 0.283 185 T C 0.049 174.401 174.700 -0.581 0.000 0.992 185 T CA -0.643 61.154 62.100 -0.505 0.000 0.954 185 T CB 1.235 69.916 68.868 -0.311 0.000 0.934 185 T HN 0.852 nan 8.240 nan 0.000 0.440 186 G N 1.864 110.492 108.800 -0.288 0.000 2.329 186 G HA2 0.528 4.488 3.960 0.000 0.000 0.309 186 G HA3 0.528 4.488 3.960 0.000 0.000 0.309 186 G C -0.594 174.394 174.900 0.148 0.000 1.110 186 G CA -0.421 44.792 45.100 0.189 0.000 0.923 186 G HN 0.659 nan 8.290 nan 0.000 0.430 187 V N 2.651 122.616 119.914 0.086 0.000 2.326 187 V HA 0.593 4.713 4.120 0.000 0.000 0.281 187 V C 1.097 177.248 176.094 0.095 0.000 1.015 187 V CA 0.225 62.569 62.300 0.073 0.000 0.823 187 V CB 0.772 32.613 31.823 0.030 0.000 1.009 187 V HN 1.382 nan 8.190 nan 0.000 0.436 188 G N 3.260 112.117 108.800 0.095 0.000 2.225 188 G HA2 -0.194 3.766 3.960 0.000 0.000 0.267 188 G HA3 -0.194 3.766 3.960 0.000 0.000 0.267 188 G C 0.206 175.150 174.900 0.074 0.000 1.024 188 G CA 0.534 45.676 45.100 0.069 0.000 0.784 188 G HN 0.586 nan 8.290 nan 0.000 0.507 189 E N -0.657 119.606 120.200 0.105 0.000 2.950 189 E HA 0.455 4.805 4.350 0.000 0.000 0.234 189 E C 0.886 177.530 176.600 0.073 0.000 0.936 189 E CA -0.839 55.620 56.400 0.097 0.000 1.114 189 E CB 0.519 30.308 29.700 0.148 0.000 1.555 189 E HN 0.415 nan 8.360 nan 0.000 0.488 190 R N 0.348 120.887 120.500 0.064 0.000 2.265 190 R HA 0.239 4.579 4.340 0.000 0.000 0.314 190 R C 1.121 177.410 176.300 -0.019 0.000 1.053 190 R CA -0.036 56.079 56.100 0.025 0.000 0.931 190 R CB 0.375 30.692 30.300 0.028 0.000 1.024 190 R HN 0.383 nan 8.270 nan 0.000 0.457 191 T N 2.791 117.316 114.554 -0.049 0.000 2.737 191 T HA -0.227 4.123 4.350 0.000 0.000 0.269 191 T C 1.737 176.348 174.700 -0.148 0.000 1.040 191 T CA 1.956 63.981 62.100 -0.125 0.000 1.142 191 T CB -0.132 68.680 68.868 -0.092 0.000 0.861 191 T HN 0.628 nan 8.240 nan 0.000 0.456 192 R N 1.445 121.899 120.500 -0.076 0.000 2.189 192 R HA 0.087 4.427 4.340 0.000 0.000 0.218 192 R C 1.942 178.210 176.300 -0.054 0.000 1.074 192 R CA 1.313 57.378 56.100 -0.060 0.000 0.991 192 R CB -0.315 29.971 30.300 -0.024 0.000 0.883 192 R HN 0.354 nan 8.270 nan 0.000 0.457 193 E N 0.683 120.862 120.200 -0.035 0.000 2.150 193 E HA -0.082 4.268 4.350 0.000 0.000 0.193 193 E C 2.052 178.617 176.600 -0.058 0.000 0.985 193 E CA 1.143 57.541 56.400 -0.002 0.000 0.814 193 E CB -0.150 29.592 29.700 0.069 0.000 0.752 193 E HN 0.645 nan 8.360 nan 0.000 0.466 194 G N 1.143 109.808 108.800 -0.225 0.000 2.418 194 G HA2 -0.343 3.617 3.960 0.000 0.000 0.217 194 G HA3 -0.343 3.617 3.960 0.000 0.000 0.217 194 G C 1.455 176.192 174.900 -0.272 0.000 1.158 194 G CA 0.999 45.756 45.100 -0.572 0.000 0.771 194 G HN 0.205 nan 8.290 nan 0.000 0.545 195 N N 0.507 119.099 118.700 -0.180 0.000 2.223 195 N HA -0.080 4.660 4.740 0.000 0.000 0.185 195 N C 1.611 177.127 175.510 0.010 0.000 1.016 195 N CA 1.535 54.560 53.050 -0.042 0.000 0.863 195 N CB -0.048 38.412 38.487 -0.044 0.000 0.983 195 N HN 0.171 nan 8.380 nan 0.000 0.429 196 D N -0.188 120.201 120.400 -0.019 0.000 2.110 196 D HA -0.086 4.554 4.640 0.000 0.000 0.202 196 D C 1.860 178.147 176.300 -0.021 0.000 0.975 196 D CA 0.459 54.449 54.000 -0.018 0.000 0.839 196 D CB -0.480 40.309 40.800 -0.017 0.000 0.996 196 D HN 0.194 nan 8.370 nan 0.000 0.464 197 L N 0.301 121.508 121.223 -0.027 0.000 2.079 197 L HA -0.215 4.125 4.340 0.000 0.000 0.210 197 L C 2.240 179.126 176.870 0.026 0.000 1.081 197 L CA 1.440 56.244 54.840 -0.061 0.000 0.752 197 L CB -0.541 41.427 42.059 -0.152 0.000 0.896 197 L HN 0.046 nan 8.230 nan 0.000 0.433 198 Y N -0.057 120.217 120.300 -0.043 0.000 2.220 198 Y HA -0.181 4.369 4.550 0.000 0.000 0.291 198 Y C 2.809 178.693 175.900 -0.026 0.000 1.129 198 Y CA 1.792 59.887 58.100 -0.008 0.000 1.161 198 Y CB -0.257 38.214 38.460 0.018 0.000 0.997 198 Y HN 0.148 nan 8.280 nan 0.000 0.522 199 R N -0.023 120.428 120.500 -0.083 0.000 2.115 199 R HA -0.126 4.214 4.340 0.000 0.000 0.226 199 R C 2.048 178.264 176.300 -0.140 0.000 1.100 199 R CA 1.262 57.265 56.100 -0.162 0.000 0.980 199 R CB -0.018 30.233 30.300 -0.083 0.000 0.875 199 R HN 0.246 nan 8.270 nan 0.000 0.445 200 E N 0.713 120.854 120.200 -0.098 0.000 2.017 200 E HA -0.207 4.143 4.350 0.000 0.000 0.193 200 E C 1.978 178.518 176.600 -0.100 0.000 0.997 200 E CA 1.504 57.848 56.400 -0.093 0.000 0.804 200 E CB -0.228 29.418 29.700 -0.089 0.000 0.757 200 E HN 0.379 nan 8.360 nan 0.000 0.448 201 M N 0.435 119.977 119.600 -0.097 0.000 2.267 201 M HA -0.176 4.304 4.480 0.000 0.000 0.263 201 M C 1.976 178.219 176.300 -0.095 0.000 1.063 201 M CA 1.275 56.528 55.300 -0.078 0.000 1.090 201 M CB -0.503 32.079 32.600 -0.031 0.000 1.392 201 M HN 0.010 nan 8.290 nan 0.000 0.422 202 K N 0.405 120.710 120.400 -0.158 0.000 2.076 202 K HA -0.093 4.227 4.320 0.000 0.000 0.204 202 K C 1.771 178.308 176.600 -0.105 0.000 1.051 202 K CA 1.047 57.240 56.287 -0.158 0.000 0.949 202 K CB -0.009 32.346 32.500 -0.243 0.000 0.726 202 K HN 0.412 nan 8.250 nan 0.000 0.443 203 E N -0.024 120.116 120.200 -0.101 0.000 2.216 203 E HA -0.059 4.291 4.350 0.000 0.000 0.192 203 E C 1.568 178.132 176.600 -0.061 0.000 0.988 203 E CA 1.008 57.362 56.400 -0.077 0.000 0.834 203 E CB 0.230 29.884 29.700 -0.076 0.000 0.772 203 E HN 0.231 nan 8.360 nan 0.000 0.479 204 T N -1.006 113.511 114.554 -0.062 0.000 2.942 204 T HA 0.031 4.381 4.350 0.000 0.000 0.265 204 T C 1.508 176.186 174.700 -0.037 0.000 1.062 204 T CA 0.903 62.973 62.100 -0.049 0.000 1.139 204 T CB 0.158 68.994 68.868 -0.052 0.000 0.883 204 T HN 0.409 nan 8.240 nan 0.000 0.468 205 G N 0.519 109.296 108.800 -0.038 0.000 2.176 205 G HA2 -0.289 3.671 3.960 0.000 0.000 0.232 205 G HA3 -0.289 3.671 3.960 0.000 0.000 0.232 205 G C 1.035 175.930 174.900 -0.009 0.000 0.986 205 G CA 0.210 45.296 45.100 -0.024 0.000 0.643 205 G HN 0.451 nan 8.290 nan 0.000 0.522 206 V N 0.130 120.038 119.914 -0.010 0.000 2.515 206 V HA 0.164 4.284 4.120 0.000 0.000 0.250 206 V C 1.555 177.665 176.094 0.026 0.000 1.058 206 V CA 1.710 64.016 62.300 0.011 0.000 1.064 206 V CB -0.206 31.619 31.823 0.003 0.000 0.675 206 V HN 0.497 nan 8.190 nan 0.000 0.461 207 I N 1.527 122.103 120.570 0.009 0.000 2.382 207 I HA 0.353 4.523 4.170 0.000 0.000 0.286 207 I C -0.458 175.656 176.117 -0.005 0.000 1.002 207 I CA -0.266 61.047 61.300 0.022 0.000 1.135 207 I CB 1.470 39.493 38.000 0.039 0.000 1.288 207 I HN 0.113 nan 8.210 nan 0.000 0.448 208 N N 6.886 125.594 118.700 0.014 0.000 2.443 208 N HA 0.359 5.099 4.740 0.000 0.000 0.269 208 N C 0.426 175.946 175.510 0.016 0.000 0.985 208 N CA -0.462 52.591 53.050 0.004 0.000 0.921 208 N CB 1.431 39.924 38.487 0.010 0.000 1.195 208 N HN 0.551 nan 8.380 nan 0.000 0.492 209 L N 1.786 123.013 121.223 0.006 0.000 2.083 209 L HA 0.002 4.342 4.340 0.000 0.000 0.209 209 L C 0.590 177.474 176.870 0.023 0.000 1.083 209 L CA 1.071 55.925 54.840 0.023 0.000 0.752 209 L CB -0.017 42.050 42.059 0.014 0.000 0.899 209 L HN 0.579 nan 8.230 nan 0.000 0.433 210 E N -0.008 120.200 120.200 0.014 0.000 2.663 210 E HA 0.349 4.699 4.350 0.000 0.000 0.240 210 E C 0.288 176.897 176.600 0.016 0.000 1.227 210 E CA -0.087 56.321 56.400 0.014 0.000 1.528 210 E CB 0.486 30.191 29.700 0.008 0.000 1.472 210 E HN 0.402 nan 8.360 nan 0.000 0.433 211 G N 0.385 109.198 108.800 0.022 0.000 2.392 211 G HA2 -0.001 3.959 3.960 0.000 0.000 0.260 211 G HA3 -0.001 3.959 3.960 0.000 0.000 0.260 211 G C -1.170 173.751 174.900 0.035 0.000 1.226 211 G CA -0.825 44.291 45.100 0.026 0.000 0.913 211 G HN 0.040 nan 8.290 nan 0.000 0.483 212 E N 0.190 120.415 120.200 0.042 0.000 2.349 212 E HA 0.635 4.985 4.350 0.000 0.000 0.265 212 E C -0.483 176.154 176.600 0.061 0.000 1.064 212 E CA 0.026 56.461 56.400 0.058 0.000 0.886 212 E CB 1.540 31.283 29.700 0.072 0.000 1.036 212 E HN 0.341 nan 8.360 nan 0.000 0.413 213 S N 0.817 116.562 115.700 0.075 0.000 2.569 213 S HA 0.340 4.810 4.470 0.000 0.000 0.280 213 S C 0.334 175.005 174.600 0.119 0.000 1.111 213 S CA -0.787 57.461 58.200 0.080 0.000 0.887 213 S CB 1.830 65.072 63.200 0.070 0.000 1.095 213 S HN 0.333 nan 8.310 nan 0.000 0.476 214 K N 0.423 120.899 120.400 0.127 0.000 2.374 214 K HA 0.382 4.702 4.320 0.000 0.000 0.202 214 K C -0.461 176.234 176.600 0.159 0.000 1.040 214 K CA 0.176 56.582 56.287 0.198 0.000 1.085 214 K CB 1.182 33.772 32.500 0.150 0.000 0.873 214 K HN 0.291 nan 8.250 nan 0.000 0.539 215 V N 0.423 120.400 119.914 0.106 0.000 2.841 215 V HA 0.702 4.822 4.120 0.000 0.000 0.310 215 V C -1.819 174.333 176.094 0.097 0.000 1.090 215 V CA -0.817 61.544 62.300 0.102 0.000 0.930 215 V CB 1.840 33.728 31.823 0.109 0.000 1.014 215 V HN 0.089 nan 8.190 nan 0.000 0.425 216 A N 6.876 129.760 122.820 0.106 0.000 2.304 216 A HA 0.882 5.202 4.320 0.000 0.000 0.323 216 A C -1.056 176.578 177.584 0.082 0.000 1.195 216 A CA -0.602 51.496 52.037 0.101 0.000 0.826 216 A CB 0.914 19.995 19.000 0.136 0.000 1.184 216 A HN 0.886 nan 8.150 nan 0.000 0.496 217 L N 2.669 123.916 121.223 0.040 0.000 2.322 217 L HA 0.643 4.983 4.340 0.000 0.000 0.281 217 L C -0.869 175.908 176.870 -0.156 0.000 1.014 217 L CA -0.833 53.971 54.840 -0.060 0.000 0.815 217 L CB 1.869 43.928 42.059 -0.000 0.000 1.247 217 L HN 0.411 nan 8.230 nan 0.000 0.421 218 V N 3.225 122.942 119.914 -0.328 0.000 2.577 218 V HA 0.501 4.621 4.120 0.000 0.000 0.303 218 V C -0.941 174.895 176.094 -0.430 0.000 1.042 218 V CA -0.462 61.688 62.300 -0.251 0.000 0.872 218 V CB 1.876 33.609 31.823 -0.149 0.000 0.998 218 V HN 0.378 nan 8.190 nan 0.000 0.423 219 F N 2.025 121.997 119.950 0.036 0.000 2.529 219 F HA 0.792 5.319 4.527 0.000 0.000 0.320 219 F C 0.626 176.438 175.800 0.020 0.000 1.118 219 F CA -0.797 57.228 58.000 0.042 0.000 0.915 219 F CB 2.581 41.603 39.000 0.036 0.000 1.161 219 F HN 0.540 nan 8.300 nan 0.000 0.445 220 G N 3.801 112.746 108.800 0.240 0.000 3.703 220 G HA2 0.325 4.285 3.960 0.000 0.000 0.311 220 G HA3 0.325 4.285 3.960 0.000 0.000 0.311 220 G C -0.697 174.282 174.900 0.132 0.000 1.430 220 G CA -0.482 44.700 45.100 0.138 0.000 0.785 220 G HN 0.311 nan 8.290 nan 0.000 0.491 221 Q N 0.769 120.646 119.800 0.129 0.000 2.370 221 Q HA 0.229 4.569 4.340 0.000 0.000 0.186 221 Q C 2.016 178.049 176.000 0.055 0.000 1.093 221 Q CA -0.549 55.313 55.803 0.098 0.000 1.142 221 Q CB 0.598 29.371 28.738 0.058 0.000 1.175 221 Q HN 0.702 nan 8.270 nan 0.000 0.625 222 M N -0.300 119.324 119.600 0.040 0.000 2.659 222 M HA 0.003 4.483 4.480 0.000 0.000 0.243 222 M C 0.739 177.047 176.300 0.013 0.000 1.111 222 M CA 0.920 56.234 55.300 0.023 0.000 1.070 222 M CB -0.266 32.344 32.600 0.018 0.000 1.525 222 M HN 0.347 nan 8.290 nan 0.000 0.517 223 N N 0.817 119.524 118.700 0.012 0.000 2.463 223 N HA -0.009 4.731 4.740 0.000 0.000 0.181 223 N C -0.240 175.275 175.510 0.009 0.000 1.078 223 N CA 0.385 53.438 53.050 0.006 0.000 0.902 223 N CB -0.227 38.260 38.487 0.000 0.000 0.970 223 N HN 0.561 nan 8.380 nan 0.000 0.451 224 E N 2.160 122.369 120.200 0.015 0.000 2.277 224 E HA 0.290 4.640 4.350 0.000 0.000 0.274 224 E C -2.191 174.416 176.600 0.010 0.000 1.022 224 E CA -1.972 54.437 56.400 0.016 0.000 0.853 224 E CB 0.951 30.667 29.700 0.026 0.000 1.086 224 E HN 0.204 nan 8.360 nan 0.000 0.397 225 P HA -0.014 nan 4.420 nan 0.000 0.270 225 P C -2.163 175.137 177.300 -0.000 0.000 1.227 225 P CA -0.995 62.107 63.100 0.003 0.000 0.788 225 P CB -0.071 31.633 31.700 0.005 0.000 0.926 226 P HA -0.144 nan 4.420 nan 0.000 0.218 226 P C 1.696 178.986 177.300 -0.016 0.000 1.148 226 P CA 1.977 65.063 63.100 -0.023 0.000 0.822 226 P CB -0.523 31.158 31.700 -0.032 0.000 0.784 227 G N 0.368 109.166 108.800 -0.002 0.000 2.459 227 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 227 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 227 G C 1.697 176.610 174.900 0.022 0.000 1.183 227 G CA 1.112 46.219 45.100 0.011 0.000 0.776 227 G HN 0.330 nan 8.290 nan 0.000 0.552 228 A N 0.766 123.599 122.820 0.022 0.000 1.883 228 A HA -0.060 4.260 4.320 0.000 0.000 0.217 228 A C 2.445 180.049 177.584 0.034 0.000 1.186 228 A CA 1.891 53.945 52.037 0.028 0.000 0.624 228 A CB -0.455 18.561 19.000 0.027 0.000 0.822 228 A HN 0.343 nan 8.150 nan 0.000 0.444 229 R N -0.676 119.840 120.500 0.027 0.000 2.148 229 R HA -0.007 4.333 4.340 0.000 0.000 0.227 229 R C 2.290 178.622 176.300 0.052 0.000 1.103 229 R CA 1.038 57.158 56.100 0.034 0.000 0.983 229 R CB -0.363 29.944 30.300 0.012 0.000 0.874 229 R HN 0.532 nan 8.270 nan 0.000 0.451 230 A N 0.400 123.241 122.820 0.035 0.000 2.014 230 A HA -0.059 4.261 4.320 0.000 0.000 0.218 230 A C 1.769 179.476 177.584 0.205 0.000 1.163 230 A CA 1.033 53.106 52.037 0.060 0.000 0.652 230 A CB 0.041 19.024 19.000 -0.029 0.000 0.808 230 A HN 0.054 nan 8.150 nan 0.000 0.449 231 R N -1.512 119.055 120.500 0.112 0.000 2.279 231 R HA 0.148 4.488 4.340 0.000 0.000 0.195 231 R C 1.799 178.104 176.300 0.007 0.000 0.905 231 R CA 0.772 56.912 56.100 0.067 0.000 1.044 231 R CB -1.033 29.291 30.300 0.040 0.000 1.056 231 R HN 0.356 nan 8.270 nan 0.000 0.535 232 V N 1.590 121.516 119.914 0.022 0.000 2.469 232 V HA -0.199 3.921 4.120 0.000 0.000 0.251 232 V C 2.133 178.195 176.094 -0.053 0.000 1.064 232 V CA 2.039 64.333 62.300 -0.010 0.000 1.066 232 V CB -0.363 31.470 31.823 0.016 0.000 0.667 232 V HN 0.296 nan 8.190 nan 0.000 0.461 233 A N -0.376 122.412 122.820 -0.054 0.000 1.933 233 A HA -0.117 4.204 4.320 0.000 0.000 0.218 233 A C 2.106 179.587 177.584 -0.171 0.000 1.175 233 A CA 1.871 53.829 52.037 -0.132 0.000 0.628 233 A CB -0.486 18.404 19.000 -0.183 0.000 0.814 233 A HN 0.571 nan 8.150 nan 0.000 0.444 234 L N -0.748 120.372 121.223 -0.172 0.000 2.131 234 L HA -0.150 4.190 4.340 0.000 0.000 0.210 234 L C 2.718 179.491 176.870 -0.162 0.000 1.092 234 L CA 1.642 56.363 54.840 -0.198 0.000 0.759 234 L CB -1.079 40.826 42.059 -0.256 0.000 0.903 234 L HN 0.337 nan 8.230 nan 0.000 0.435 235 T N -0.072 114.404 114.554 -0.130 0.000 2.674 235 T HA -0.125 4.225 4.350 0.000 0.000 0.265 235 T C 1.888 176.531 174.700 -0.095 0.000 1.039 235 T CA 1.475 63.513 62.100 -0.103 0.000 1.150 235 T CB -0.590 68.232 68.868 -0.076 0.000 0.864 235 T HN 0.542 nan 8.240 nan 0.000 0.427 236 G N 1.311 110.050 108.800 -0.100 0.000 2.450 236 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 236 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 236 G C 1.521 176.374 174.900 -0.078 0.000 1.130 236 G CA 0.749 45.793 45.100 -0.094 0.000 0.760 236 G HN 0.394 nan 8.290 nan 0.000 0.557 237 L N 0.811 121.973 121.223 -0.102 0.000 2.072 237 L HA 0.105 4.445 4.340 0.000 0.000 0.205 237 L C 2.786 179.619 176.870 -0.062 0.000 1.079 237 L CA 2.377 57.161 54.840 -0.094 0.000 0.752 237 L CB -1.094 40.884 42.059 -0.136 0.000 0.906 237 L HN 0.136 nan 8.230 nan 0.000 0.436 238 T N 0.331 114.840 114.554 -0.075 0.000 2.759 238 T HA -0.171 4.179 4.350 0.000 0.000 0.269 238 T C 2.010 176.682 174.700 -0.046 0.000 1.042 238 T CA 2.061 64.125 62.100 -0.060 0.000 1.140 238 T CB -0.331 68.488 68.868 -0.081 0.000 0.864 238 T HN 0.338 nan 8.240 nan 0.000 0.455 239 I N 1.218 121.756 120.570 -0.054 0.000 2.226 239 I HA -0.168 4.002 4.170 0.000 0.000 0.245 239 I C 2.890 179.035 176.117 0.047 0.000 1.100 239 I CA 1.141 62.403 61.300 -0.063 0.000 1.374 239 I CB -0.475 37.515 38.000 -0.016 0.000 1.057 239 I HN 0.197 nan 8.210 nan 0.000 0.413 240 A N 0.264 123.153 122.820 0.114 0.000 2.015 240 A HA -0.171 4.149 4.320 0.000 0.000 0.219 240 A C 2.175 179.846 177.584 0.144 0.000 1.163 240 A CA 1.311 53.465 52.037 0.196 0.000 0.646 240 A CB -0.424 18.625 19.000 0.082 0.000 0.806 240 A HN 0.431 nan 8.150 nan 0.000 0.448 241 E N -1.681 118.555 120.200 0.061 0.000 2.072 241 E HA -0.170 4.180 4.350 0.000 0.000 0.190 241 E C 1.797 178.420 176.600 0.038 0.000 0.982 241 E CA 1.189 57.611 56.400 0.037 0.000 0.803 241 E CB -0.285 29.419 29.700 0.007 0.000 0.755 241 E HN 0.763 nan 8.360 nan 0.000 0.453 242 Y N 0.264 120.495 120.300 -0.115 0.000 2.207 242 Y HA -0.261 4.289 4.550 0.000 0.000 0.287 242 Y C 1.779 177.600 175.900 -0.132 0.000 1.156 242 Y CA 1.490 59.481 58.100 -0.183 0.000 1.182 242 Y CB -0.110 38.152 38.460 -0.330 0.000 0.979 242 Y HN -0.023 nan 8.280 nan 0.000 0.521 243 F N -0.129 119.899 119.950 0.130 0.000 2.234 243 F HA -0.097 4.430 4.527 0.000 0.000 0.299 243 F C 2.659 178.488 175.800 0.049 0.000 1.087 243 F CA 1.619 59.690 58.000 0.119 0.000 1.340 243 F CB -0.722 38.395 39.000 0.195 0.000 1.031 243 F HN -0.025 nan 8.300 nan 0.000 0.500 244 R N 0.330 120.941 120.500 0.185 0.000 2.062 244 R HA -0.121 4.219 4.340 0.000 0.000 0.229 244 R C 1.579 177.883 176.300 0.006 0.000 1.128 244 R CA 1.930 58.081 56.100 0.085 0.000 0.960 244 R CB -0.231 30.099 30.300 0.051 0.000 0.855 244 R HN 0.145 nan 8.270 nan 0.000 0.432 245 D N -0.048 120.315 120.400 -0.062 0.000 2.214 245 D HA -0.073 4.567 4.640 0.000 0.000 0.217 245 D C 1.825 178.013 176.300 -0.187 0.000 0.973 245 D CA 0.904 54.836 54.000 -0.113 0.000 0.880 245 D CB -0.061 40.670 40.800 -0.116 0.000 1.031 245 D HN 0.193 nan 8.370 nan 0.000 0.468 246 E N 0.515 120.478 120.200 -0.395 0.000 2.250 246 E HA -0.050 4.300 4.350 0.000 0.000 0.192 246 E C 1.821 178.243 176.600 -0.298 0.000 0.986 246 E CA 0.443 56.542 56.400 -0.502 0.000 0.849 246 E CB 0.123 29.137 29.700 -1.144 0.000 0.797 246 E HN 0.198 nan 8.360 nan 0.000 0.482 247 E N 0.439 120.530 120.200 -0.181 0.000 2.122 247 E HA 0.043 4.393 4.350 0.000 0.000 0.190 247 E C 0.530 177.179 176.600 0.082 0.000 0.977 247 E CA 0.900 57.350 56.400 0.085 0.000 0.820 247 E CB -0.011 29.922 29.700 0.388 0.000 0.770 247 E HN 0.264 nan 8.360 nan 0.000 0.462 248 G N 1.240 110.067 108.800 0.044 0.000 2.385 248 G HA2 -0.300 3.660 3.960 0.000 0.000 0.294 248 G HA3 -0.300 3.660 3.960 0.000 0.000 0.294 248 G C -0.198 174.724 174.900 0.037 0.000 1.070 248 G CA 0.828 45.942 45.100 0.024 0.000 1.172 248 G HN 0.331 nan 8.290 nan 0.000 0.516 249 Q N -1.015 118.820 119.800 0.059 0.000 2.685 249 Q HA 0.383 4.723 4.340 0.000 0.000 0.301 249 Q C -1.373 174.650 176.000 0.038 0.000 0.924 249 Q CA -1.002 54.813 55.803 0.020 0.000 0.755 249 Q CB 1.319 30.050 28.738 -0.012 0.000 1.470 249 Q HN 0.214 nan 8.270 nan 0.000 0.434 250 D N 0.653 121.056 120.400 0.005 0.000 2.383 250 D HA 0.287 4.927 4.640 0.000 0.000 0.252 250 D C -1.060 175.356 176.300 0.193 0.000 1.166 250 D CA 0.393 54.451 54.000 0.096 0.000 0.879 250 D CB 0.964 41.801 40.800 0.062 0.000 1.164 250 D HN 0.127 nan 8.370 nan 0.000 0.462 251 V N 3.594 123.579 119.914 0.117 0.000 2.555 251 V HA 0.378 4.498 4.120 0.000 0.000 0.302 251 V C 0.055 176.072 176.094 -0.128 0.000 1.038 251 V CA -0.917 61.404 62.300 0.034 0.000 0.887 251 V CB 1.662 33.539 31.823 0.089 0.000 0.991 251 V HN 0.379 nan 8.190 nan 0.000 0.434 252 L N 4.913 125.975 121.223 -0.268 0.000 2.287 252 L HA 0.555 4.895 4.340 0.000 0.000 0.287 252 L C -0.797 175.879 176.870 -0.323 0.000 1.022 252 L CA -0.501 54.099 54.840 -0.401 0.000 0.814 252 L CB 1.581 43.356 42.059 -0.474 0.000 1.217 252 L HN 0.494 nan 8.230 nan 0.000 0.420 253 L N 4.570 125.542 121.223 -0.419 0.000 2.319 253 L HA 0.563 4.903 4.340 0.000 0.000 0.281 253 L C -1.261 175.319 176.870 -0.484 0.000 1.005 253 L CA 0.156 54.813 54.840 -0.305 0.000 0.828 253 L CB 0.883 42.828 42.059 -0.190 0.000 1.227 253 L HN 0.194 nan 8.230 nan 0.000 0.415 254 F N 6.026 125.901 119.950 -0.126 0.000 2.427 254 F HA 0.593 5.120 4.527 0.000 0.000 0.346 254 F C 0.002 175.516 175.800 -0.476 0.000 1.120 254 F CA -0.456 57.426 58.000 -0.195 0.000 1.033 254 F CB 1.326 40.331 39.000 0.008 0.000 1.126 254 F HN 0.238 nan 8.300 nan 0.000 0.462 255 I N 2.933 123.366 120.570 -0.227 0.000 2.418 255 I HA 0.311 4.481 4.170 0.000 0.000 0.287 255 I C -1.266 174.720 176.117 -0.219 0.000 1.008 255 I CA -0.503 60.606 61.300 -0.318 0.000 1.104 255 I CB 1.908 39.775 38.000 -0.222 0.000 1.264 255 I HN 0.441 nan 8.210 nan 0.000 0.438 256 D N 6.395 126.649 120.400 -0.244 0.000 2.476 256 D HA 0.260 4.900 4.640 0.000 0.000 0.251 256 D C -1.425 174.897 176.300 0.037 0.000 1.291 256 D CA -0.316 53.671 54.000 -0.021 0.000 0.939 256 D CB 1.138 42.017 40.800 0.131 0.000 1.221 256 D HN 0.406 nan 8.370 nan 0.000 0.567 257 N N 4.269 123.008 118.700 0.065 0.000 2.295 257 N HA 0.179 4.920 4.740 0.000 0.000 0.293 257 N C 0.427 175.995 175.510 0.096 0.000 1.040 257 N CA -0.509 52.592 53.050 0.085 0.000 0.840 257 N CB 1.724 40.304 38.487 0.154 0.000 1.468 257 N HN 0.345 nan 8.380 nan 0.000 0.478 258 I N 3.905 124.510 120.570 0.059 0.000 2.493 258 I HA -0.065 4.105 4.170 0.000 0.000 0.254 258 I C 1.726 177.948 176.117 0.174 0.000 1.160 258 I CA 0.761 62.095 61.300 0.057 0.000 1.445 258 I CB -0.491 37.483 38.000 -0.044 0.000 1.086 258 I HN 0.628 nan 8.210 nan 0.000 0.433 259 F N 1.660 121.660 119.950 0.082 0.000 2.120 259 F HA -0.273 4.254 4.527 0.000 0.000 0.300 259 F C 2.349 178.236 175.800 0.144 0.000 1.095 259 F CA 1.669 59.754 58.000 0.142 0.000 1.249 259 F CB -0.409 38.726 39.000 0.225 0.000 0.995 259 F HN -0.006 nan 8.300 nan 0.000 0.480 260 R N -0.056 120.459 120.500 0.026 0.000 2.159 260 R HA -0.209 4.131 4.340 0.000 0.000 0.237 260 R C 2.191 178.427 176.300 -0.108 0.000 1.131 260 R CA 1.444 57.480 56.100 -0.106 0.000 0.982 260 R CB -1.750 28.575 30.300 0.041 0.000 0.868 260 R HN 0.508 nan 8.270 nan 0.000 0.453 261 F N 1.784 121.650 119.950 -0.140 0.000 2.102 261 F HA -0.187 4.340 4.527 0.000 0.000 0.298 261 F C 1.939 177.656 175.800 -0.138 0.000 1.105 261 F CA 1.728 59.658 58.000 -0.116 0.000 1.239 261 F CB -0.453 38.491 39.000 -0.094 0.000 0.991 261 F HN -0.126 nan 8.300 nan 0.000 0.474 262 T N 0.267 114.572 114.554 -0.414 0.000 2.770 262 T HA -0.220 4.130 4.350 0.000 0.000 0.263 262 T C 1.915 176.374 174.700 -0.401 0.000 1.039 262 T CA 1.467 63.284 62.100 -0.472 0.000 1.142 262 T CB -0.447 68.297 68.868 -0.206 0.000 0.868 262 T HN 0.441 nan 8.240 nan 0.000 0.435 263 Q N 0.692 120.163 119.800 -0.548 0.000 2.096 263 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 263 Q C 2.448 178.296 176.000 -0.253 0.000 0.982 263 Q CA 1.654 57.191 55.803 -0.443 0.000 0.850 263 Q CB -0.287 28.065 28.738 -0.643 0.000 0.901 263 Q HN 0.542 nan 8.270 nan 0.000 0.422 264 A N 0.387 123.054 122.820 -0.256 0.000 1.898 264 A HA -0.086 4.234 4.320 0.000 0.000 0.216 264 A C 2.299 179.771 177.584 -0.186 0.000 1.181 264 A CA 1.506 53.438 52.037 -0.175 0.000 0.620 264 A CB -1.330 17.589 19.000 -0.135 0.000 0.819 264 A HN 0.606 nan 8.150 nan 0.000 0.442 265 G N -0.715 107.908 108.800 -0.294 0.000 2.469 265 G HA2 -0.289 3.671 3.960 0.000 0.000 0.219 265 G HA3 -0.289 3.671 3.960 0.000 0.000 0.219 265 G C 1.940 176.756 174.900 -0.140 0.000 1.150 265 G CA 1.630 46.575 45.100 -0.259 0.000 0.763 265 G HN 0.569 nan 8.290 nan 0.000 0.561 266 S N 0.062 115.693 115.700 -0.115 0.000 2.383 266 S HA -0.061 4.409 4.470 0.000 0.000 0.227 266 S C 2.211 176.770 174.600 -0.068 0.000 1.026 266 S CA 1.506 59.672 58.200 -0.056 0.000 0.981 266 S CB -0.284 62.893 63.200 -0.038 0.000 0.818 266 S HN 0.579 nan 8.310 nan 0.000 0.472 267 E N 0.294 120.446 120.200 -0.079 0.000 2.204 267 E HA -0.091 4.259 4.350 0.000 0.000 0.195 267 E C 1.851 178.425 176.600 -0.044 0.000 0.990 267 E CA 1.515 57.879 56.400 -0.059 0.000 0.821 267 E CB -0.014 29.651 29.700 -0.057 0.000 0.750 267 E HN 0.669 nan 8.360 nan 0.000 0.477 268 V N -3.158 116.729 119.914 -0.046 0.000 3.661 268 V HA 0.141 4.261 4.120 0.000 0.000 0.271 268 V C 2.034 178.114 176.094 -0.024 0.000 1.315 268 V CA 0.524 62.806 62.300 -0.030 0.000 1.072 268 V CB 0.738 32.544 31.823 -0.027 0.000 0.830 268 V HN 0.023 nan 8.190 nan 0.000 0.443 269 S N 1.709 117.392 115.700 -0.029 0.000 2.365 269 S HA -0.230 4.240 4.470 0.000 0.000 0.225 269 S C 2.198 176.793 174.600 -0.009 0.000 1.039 269 S CA 2.448 60.638 58.200 -0.017 0.000 1.033 269 S CB -0.486 62.706 63.200 -0.013 0.000 0.887 269 S HN 1.017 nan 8.310 nan 0.000 0.447 270 A N 1.060 123.873 122.820 -0.011 0.000 1.877 270 A HA 0.029 4.349 4.320 0.000 0.000 0.216 270 A C 2.205 179.787 177.584 -0.004 0.000 1.186 270 A CA 1.501 53.534 52.037 -0.007 0.000 0.620 270 A CB -0.807 18.187 19.000 -0.011 0.000 0.822 270 A HN 0.580 nan 8.150 nan 0.000 0.443 271 L N -0.664 120.556 121.223 -0.005 0.000 2.376 271 L HA -0.015 4.325 4.340 0.000 0.000 0.219 271 L C 2.057 178.928 176.870 0.002 0.000 1.133 271 L CA 0.288 55.127 54.840 -0.002 0.000 0.816 271 L CB -0.214 41.844 42.059 -0.003 0.000 0.933 271 L HN 0.371 nan 8.230 nan 0.000 0.449 272 L N -0.595 120.629 121.223 0.001 0.000 2.395 272 L HA 0.066 4.406 4.340 0.000 0.000 0.218 272 L C 1.230 178.105 176.870 0.008 0.000 1.130 272 L CA 0.742 55.586 54.840 0.006 0.000 0.826 272 L CB -0.186 41.875 42.059 0.003 0.000 0.941 272 L HN 0.442 nan 8.230 nan 0.000 0.451 273 G N 0.629 109.433 108.800 0.006 0.000 2.181 273 G HA2 -0.183 3.777 3.960 0.000 0.000 0.152 273 G HA3 -0.183 3.777 3.960 0.000 0.000 0.152 273 G C -0.180 174.725 174.900 0.008 0.000 1.026 273 G CA -0.670 44.434 45.100 0.008 0.000 0.699 273 G HN 0.290 nan 8.290 nan 0.000 0.497 274 R N -0.294 120.210 120.500 0.006 0.000 2.494 274 R HA 0.655 4.995 4.340 0.000 0.000 0.305 274 R C 0.713 177.019 176.300 0.009 0.000 0.959 274 R CA -0.950 55.156 56.100 0.009 0.000 0.864 274 R CB 1.628 31.933 30.300 0.009 0.000 1.159 274 R HN 0.267 nan 8.270 nan 0.000 0.446 275 I N 5.012 125.589 120.570 0.012 0.000 2.683 275 I HA 0.033 4.203 4.170 0.000 0.000 0.286 275 I C -1.467 174.661 176.117 0.018 0.000 1.175 275 I CA -1.252 60.056 61.300 0.013 0.000 1.429 275 I CB 0.160 38.168 38.000 0.014 0.000 1.371 275 I HN 0.339 nan 8.210 nan 0.000 0.569 276 P HA 0.085 nan 4.420 nan 0.000 0.274 276 P C -0.343 176.982 177.300 0.041 0.000 1.237 276 P CA -0.306 62.811 63.100 0.028 0.000 0.793 276 P CB 1.236 32.946 31.700 0.017 0.000 0.977 277 S N 0.338 116.078 115.700 0.066 0.000 2.566 277 S HA 0.596 5.066 4.470 0.000 0.000 0.277 277 S C 0.158 174.814 174.600 0.093 0.000 1.150 277 S CA -0.352 57.895 58.200 0.079 0.000 1.032 277 S CB -0.005 63.253 63.200 0.097 0.000 1.157 277 S HN 0.629 nan 8.310 nan 0.000 0.507 278 A N 0.149 123.036 122.820 0.111 0.000 2.466 278 A HA 0.428 4.748 4.320 0.000 0.000 0.238 278 A C 0.861 178.550 177.584 0.176 0.000 1.074 278 A CA 0.238 52.346 52.037 0.118 0.000 0.774 278 A CB -0.619 18.446 19.000 0.108 0.000 1.015 278 A HN 1.596 nan 8.150 nan 0.000 0.498 279 V N 0.720 120.706 119.914 0.119 0.000 4.448 279 V HA -0.292 3.828 4.120 0.000 0.000 0.248 279 V C 1.624 177.681 176.094 -0.062 0.000 0.492 279 V CA 1.705 64.057 62.300 0.087 0.000 0.835 279 V CB -2.581 29.366 31.823 0.207 0.000 0.834 279 V HN 2.845 nan 8.190 nan 0.000 1.243 280 G N -2.413 106.365 108.800 -0.038 0.000 2.179 280 G HA2 -0.344 3.616 3.960 0.000 0.000 0.257 280 G HA3 -0.344 3.616 3.960 0.000 0.000 0.257 280 G C -0.217 174.591 174.900 -0.153 0.000 1.010 280 G CA 0.665 45.702 45.100 -0.104 0.000 0.736 280 G HN 0.862 nan 8.290 nan 0.000 0.513 281 Y N -0.002 120.314 120.300 0.027 0.000 2.392 281 Y HA 0.531 5.081 4.550 0.000 0.000 0.323 281 Y C 1.233 177.133 175.900 0.001 0.000 1.291 281 Y CA -0.625 57.484 58.100 0.015 0.000 1.345 281 Y CB 0.654 39.134 38.460 0.033 0.000 1.320 281 Y HN 0.363 nan 8.280 nan 0.000 0.518 282 Q N 2.187 122.106 119.800 0.198 0.000 2.392 282 Q HA 0.130 4.470 4.340 0.000 0.000 0.262 282 Q C -1.965 174.081 176.000 0.076 0.000 1.003 282 Q CA -1.318 54.537 55.803 0.087 0.000 0.888 282 Q CB 0.109 28.869 28.738 0.038 0.000 1.260 282 Q HN 0.338 nan 8.270 nan 0.000 0.435 283 P HA -0.160 nan 4.420 nan 0.000 0.218 283 P C 0.729 178.049 177.300 0.034 0.000 1.149 283 P CA 1.285 64.410 63.100 0.041 0.000 0.817 283 P CB 0.085 31.803 31.700 0.030 0.000 0.785 284 T N -3.813 110.757 114.554 0.027 0.000 3.219 284 T HA 0.105 4.455 4.350 0.000 0.000 0.249 284 T C 1.524 176.239 174.700 0.026 0.000 1.099 284 T CA -0.214 61.901 62.100 0.025 0.000 0.988 284 T CB -1.110 67.770 68.868 0.019 0.000 0.999 284 T HN -0.023 nan 8.240 nan 0.000 0.550 285 L N 1.129 122.362 121.223 0.017 0.000 1.991 285 L HA -0.182 4.158 4.340 0.000 0.000 0.221 285 L C 2.817 179.708 176.870 0.034 0.000 1.079 285 L CA 2.215 57.051 54.840 -0.006 0.000 0.778 285 L CB -0.859 41.166 42.059 -0.057 0.000 0.893 285 L HN 0.397 nan 8.230 nan 0.000 0.437 286 A N -0.571 122.277 122.820 0.047 0.000 1.845 286 A HA -0.254 4.066 4.320 0.000 0.000 0.215 286 A C 2.348 179.996 177.584 0.108 0.000 1.195 286 A CA 2.795 54.884 52.037 0.088 0.000 0.616 286 A CB -1.448 17.596 19.000 0.075 0.000 0.832 286 A HN 0.659 nan 8.150 nan 0.000 0.443 287 T N -1.595 113.008 114.554 0.082 0.000 2.720 287 T HA -0.185 4.165 4.350 0.000 0.000 0.268 287 T C 1.399 176.157 174.700 0.097 0.000 1.037 287 T CA 1.642 63.791 62.100 0.081 0.000 1.144 287 T CB -0.688 68.215 68.868 0.058 0.000 0.864 287 T HN 0.371 nan 8.240 nan 0.000 0.444 288 D N 0.979 121.446 120.400 0.113 0.000 2.116 288 D HA -0.083 4.557 4.640 0.000 0.000 0.193 288 D C 1.968 178.424 176.300 0.261 0.000 0.998 288 D CA 1.144 55.260 54.000 0.194 0.000 0.836 288 D CB -0.467 40.428 40.800 0.159 0.000 0.951 288 D HN 0.383 nan 8.370 nan 0.000 0.449 289 M N 0.104 119.834 119.600 0.216 0.000 2.213 289 M HA -0.067 4.413 4.480 0.000 0.000 0.263 289 M C 1.952 178.171 176.300 -0.135 0.000 1.062 289 M CA 1.720 57.072 55.300 0.087 0.000 1.105 289 M CB -0.064 32.580 32.600 0.073 0.000 1.385 289 M HN 0.054 nan 8.290 nan 0.000 0.417 290 G N 0.388 109.195 108.800 0.011 0.000 2.404 290 G HA2 -0.173 3.787 3.960 0.000 0.000 0.215 290 G HA3 -0.173 3.787 3.960 0.000 0.000 0.215 290 G C 1.363 176.262 174.900 -0.002 0.000 1.174 290 G CA 0.529 45.664 45.100 0.058 0.000 0.780 290 G HN 0.434 nan 8.290 nan 0.000 0.537 291 L N -0.339 120.891 121.223 0.011 0.000 2.131 291 L HA -0.030 4.310 4.340 0.000 0.000 0.210 291 L C 2.630 179.458 176.870 -0.070 0.000 1.092 291 L CA 0.461 55.302 54.840 0.002 0.000 0.759 291 L CB -0.272 41.813 42.059 0.045 0.000 0.903 291 L HN 0.257 nan 8.230 nan 0.000 0.435 292 L N -1.059 120.068 121.223 -0.160 0.000 2.071 292 L HA -0.114 4.226 4.340 0.000 0.000 0.201 292 L C 2.579 179.288 176.870 -0.269 0.000 1.076 292 L CA 1.613 56.269 54.840 -0.306 0.000 0.755 292 L CB -0.739 40.926 42.059 -0.656 0.000 0.915 292 L HN 0.119 nan 8.230 nan 0.000 0.445 293 Q N 0.246 119.859 119.800 -0.312 0.000 2.112 293 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 293 Q C 2.071 178.000 176.000 -0.119 0.000 0.987 293 Q CA 1.747 57.383 55.803 -0.277 0.000 0.858 293 Q CB -0.451 27.962 28.738 -0.542 0.000 0.905 293 Q HN 0.619 nan 8.270 nan 0.000 0.420 294 E N 0.234 120.399 120.200 -0.058 0.000 2.409 294 E HA -0.112 4.238 4.350 0.000 0.000 0.198 294 E C 1.894 178.482 176.600 -0.020 0.000 1.024 294 E CA 0.345 56.750 56.400 0.008 0.000 0.861 294 E CB 0.024 29.753 29.700 0.049 0.000 0.788 294 E HN 0.324 nan 8.360 nan 0.000 0.521 295 R N 0.207 120.672 120.500 -0.057 0.000 2.100 295 R HA 0.107 4.447 4.340 0.000 0.000 0.220 295 R C 1.132 177.392 176.300 -0.067 0.000 1.091 295 R CA 0.328 56.392 56.100 -0.059 0.000 0.986 295 R CB 0.033 30.285 30.300 -0.079 0.000 0.888 295 R HN 0.065 nan 8.270 nan 0.000 0.444 296 I N 2.061 122.576 120.570 -0.092 0.000 2.472 296 I HA -0.006 4.164 4.170 0.000 0.000 0.305 296 I C 0.121 176.198 176.117 -0.066 0.000 1.196 296 I CA 0.441 61.684 61.300 -0.094 0.000 1.613 296 I CB 0.023 37.945 38.000 -0.130 0.000 1.501 296 I HN -0.001 nan 8.210 nan 0.000 0.754 297 T N 2.689 117.213 114.554 -0.050 0.000 2.840 297 T HA 0.298 4.648 4.350 0.000 0.000 0.317 297 T C -0.380 174.300 174.700 -0.033 0.000 1.401 297 T CA -0.389 61.690 62.100 -0.036 0.000 1.028 297 T CB 1.745 70.601 68.868 -0.021 0.000 1.317 297 T HN 0.260 nan 8.240 nan 0.000 0.495 298 T N 3.016 117.551 114.554 -0.031 0.000 2.889 298 T HA 0.640 4.990 4.350 0.000 0.000 0.291 298 T C 0.347 175.028 174.700 -0.031 0.000 0.995 298 T CA -0.216 61.867 62.100 -0.027 0.000 1.092 298 T CB 0.900 69.752 68.868 -0.026 0.000 0.954 298 T HN 0.899 nan 8.240 nan 0.000 0.506 299 T N -0.237 114.298 114.554 -0.031 0.000 2.742 299 T HA 0.471 4.821 4.350 0.000 0.000 0.282 299 T C 0.835 175.512 174.700 -0.038 0.000 1.025 299 T CA -1.029 61.048 62.100 -0.039 0.000 1.020 299 T CB 1.353 70.200 68.868 -0.035 0.000 1.317 299 T HN 0.385 nan 8.240 nan 0.000 0.538 300 K N -0.039 120.334 120.400 -0.044 0.000 2.439 300 K HA 0.098 4.418 4.320 0.000 0.000 0.197 300 K C 1.928 178.509 176.600 -0.032 0.000 1.041 300 K CA 0.585 56.847 56.287 -0.040 0.000 0.970 300 K CB -0.002 32.471 32.500 -0.045 0.000 0.773 300 K HN 0.450 nan 8.250 nan 0.000 0.479 301 K N 0.125 120.507 120.400 -0.030 0.000 2.186 301 K HA 0.024 4.344 4.320 0.000 0.000 0.202 301 K C 0.770 177.357 176.600 -0.021 0.000 1.052 301 K CA 0.569 56.840 56.287 -0.028 0.000 0.965 301 K CB 0.582 33.063 32.500 -0.033 0.000 0.746 301 K HN 0.173 nan 8.250 nan 0.000 0.457 302 G N -0.511 108.280 108.800 -0.016 0.000 2.547 302 G HA2 0.222 4.182 3.960 0.000 0.000 0.291 302 G HA3 0.222 4.182 3.960 0.000 0.000 0.291 302 G C -1.732 173.167 174.900 -0.001 0.000 1.471 302 G CA -0.594 44.505 45.100 -0.002 0.000 0.798 302 G HN -0.099 nan 8.290 nan 0.000 0.504 303 S N -0.951 114.755 115.700 0.010 0.000 2.451 303 S HA 0.699 5.169 4.470 0.000 0.000 0.301 303 S C -0.564 174.045 174.600 0.015 0.000 1.116 303 S CA -0.514 57.691 58.200 0.008 0.000 1.093 303 S CB 1.302 64.509 63.200 0.012 0.000 1.017 303 S HN 0.871 nan 8.310 nan 0.000 0.482 304 V N 4.924 124.831 119.914 -0.010 0.000 2.407 304 V HA 0.418 4.538 4.120 0.000 0.000 0.291 304 V C -0.151 175.899 176.094 -0.073 0.000 1.018 304 V CA -0.662 61.616 62.300 -0.037 0.000 0.842 304 V CB 1.852 33.650 31.823 -0.043 0.000 0.996 304 V HN 0.931 nan 8.190 nan 0.000 0.426 305 T N 3.958 118.444 114.554 -0.114 0.000 2.733 305 T HA 0.442 4.792 4.350 0.000 0.000 0.294 305 T C 0.113 174.648 174.700 -0.276 0.000 0.956 305 T CA -0.305 61.699 62.100 -0.159 0.000 0.987 305 T CB 0.853 69.641 68.868 -0.135 0.000 0.920 305 T HN 0.819 nan 8.240 nan 0.000 0.470 306 S N 2.201 117.750 115.700 -0.253 0.000 2.473 306 S HA 0.703 5.173 4.470 0.000 0.000 0.307 306 S C -0.604 173.812 174.600 -0.307 0.000 1.094 306 S CA -0.798 57.218 58.200 -0.308 0.000 1.070 306 S CB 1.390 64.457 63.200 -0.222 0.000 1.019 306 S HN 0.362 nan 8.310 nan 0.000 0.480 307 V N 3.575 123.282 119.914 -0.344 0.000 2.349 307 V HA 0.415 4.535 4.120 0.000 0.000 0.284 307 V C -0.549 175.475 176.094 -0.117 0.000 1.014 307 V CA -0.488 61.693 62.300 -0.198 0.000 0.826 307 V CB 0.883 32.693 31.823 -0.022 0.000 1.009 307 V HN 0.953 nan 8.190 nan 0.000 0.431 308 Q N 3.178 122.883 119.800 -0.159 0.000 2.325 308 Q HA 0.721 5.061 4.340 0.000 0.000 0.262 308 Q C 0.058 175.954 176.000 -0.172 0.000 0.968 308 Q CA -0.447 55.262 55.803 -0.157 0.000 0.877 308 Q CB 2.294 30.918 28.738 -0.189 0.000 1.253 308 Q HN 0.871 nan 8.270 nan 0.000 0.448 309 A N 2.470 125.233 122.820 -0.095 0.000 2.450 309 A HA 0.406 4.726 4.320 0.000 0.000 0.255 309 A C -0.250 177.254 177.584 -0.135 0.000 1.096 309 A CA -0.306 51.678 52.037 -0.089 0.000 0.778 309 A CB 0.418 19.437 19.000 0.031 0.000 1.031 309 A HN 0.536 nan 8.150 nan 0.000 0.494 310 V N 4.346 124.108 119.914 -0.253 0.000 2.327 310 V HA 0.124 4.244 4.120 0.000 0.000 0.272 310 V C -0.441 175.583 176.094 -0.116 0.000 1.019 310 V CA -0.520 61.610 62.300 -0.284 0.000 0.814 310 V CB 0.060 31.352 31.823 -0.886 0.000 1.040 310 V HN 0.824 nan 8.190 nan 0.000 0.440 311 Y N 4.500 124.750 120.300 -0.082 0.000 2.702 311 Y HA 0.292 4.842 4.550 0.000 0.000 0.336 311 Y C 0.042 175.761 175.900 -0.301 0.000 1.235 311 Y CA 0.449 58.443 58.100 -0.176 0.000 1.492 311 Y CB 0.900 39.233 38.460 -0.211 0.000 1.308 311 Y HN 0.362 nan 8.280 nan 0.000 0.589 312 V N 8.921 128.162 119.914 -1.122 0.000 2.325 312 V HA 0.280 4.400 4.120 0.000 0.000 0.280 312 V C -2.317 173.167 176.094 -1.016 0.000 1.016 312 V CA -2.069 59.778 62.300 -0.754 0.000 0.818 312 V CB 1.105 32.754 31.823 -0.290 0.000 1.019 312 V HN 0.716 nan 8.190 nan 0.000 0.434 313 P HA 0.168 nan 4.420 nan 0.000 0.263 313 P C 0.673 177.876 177.300 -0.162 0.000 1.195 313 P CA 0.772 63.662 63.100 -0.350 0.000 0.762 313 P CB 0.754 32.435 31.700 -0.033 0.000 0.799 314 A N 4.041 126.816 122.820 -0.074 0.000 2.816 314 A HA -0.271 4.049 4.320 0.000 0.000 0.270 314 A C 1.124 178.677 177.584 -0.051 0.000 1.413 314 A CA 1.289 53.314 52.037 -0.021 0.000 0.866 314 A CB -2.509 16.499 19.000 0.013 0.000 1.032 314 A HN 0.595 nan 8.150 nan 0.000 0.642 315 D N -2.250 118.081 120.400 -0.115 0.000 2.946 315 D HA -0.183 4.457 4.640 0.000 0.000 0.202 315 D C -0.150 176.110 176.300 -0.067 0.000 1.068 315 D CA 2.070 56.016 54.000 -0.090 0.000 1.011 315 D CB -1.342 39.434 40.800 -0.041 0.000 1.105 315 D HN 0.943 nan 8.370 nan 0.000 0.425 316 D N 0.405 120.768 120.400 -0.061 0.000 2.374 316 D HA 0.204 4.844 4.640 0.000 0.000 0.240 316 D C 1.562 177.857 176.300 -0.009 0.000 1.229 316 D CA -0.118 53.868 54.000 -0.023 0.000 0.895 316 D CB 0.220 41.021 40.800 0.002 0.000 1.046 316 D HN 0.161 nan 8.370 nan 0.000 0.498 317 L N 2.574 123.799 121.223 0.004 0.000 2.362 317 L HA -0.072 4.268 4.340 0.000 0.000 0.219 317 L C 2.209 179.116 176.870 0.061 0.000 1.134 317 L CA 1.145 56.014 54.840 0.047 0.000 0.807 317 L CB -0.335 41.743 42.059 0.032 0.000 0.927 317 L HN 0.497 nan 8.230 nan 0.000 0.447 318 T N -4.721 109.850 114.554 0.029 0.000 3.129 318 T HA -0.045 4.305 4.350 0.000 0.000 0.251 318 T C 0.753 175.490 174.700 0.063 0.000 1.117 318 T CA -0.397 61.721 62.100 0.030 0.000 1.034 318 T CB -0.329 68.543 68.868 0.007 0.000 0.968 318 T HN 0.097 nan 8.240 nan 0.000 0.526 319 D N 2.919 123.369 120.400 0.084 0.000 2.487 319 D HA 0.074 4.714 4.640 0.000 0.000 0.243 319 D C -1.378 174.988 176.300 0.110 0.000 1.154 319 D CA -1.979 52.102 54.000 0.134 0.000 0.876 319 D CB 1.395 42.289 40.800 0.158 0.000 1.161 319 D HN -0.013 nan 8.370 nan 0.000 0.478 320 P HA -0.280 nan 4.420 nan 0.000 0.222 320 P C 0.829 178.048 177.300 -0.135 0.000 1.155 320 P CA 2.662 65.722 63.100 -0.066 0.000 0.890 320 P CB 0.103 31.700 31.700 -0.171 0.000 0.790 321 A N -0.326 122.381 122.820 -0.188 0.000 1.828 321 A HA -0.117 4.203 4.320 0.000 0.000 0.215 321 A C -0.040 177.635 177.584 0.152 0.000 1.203 321 A CA 2.424 54.445 52.037 -0.026 0.000 0.614 321 A CB -2.211 16.945 19.000 0.260 0.000 0.844 321 A HN 0.209 nan 8.150 nan 0.000 0.445 322 P HA -0.143 nan 4.420 nan 0.000 0.216 322 P C 1.583 179.053 177.300 0.283 0.000 1.150 322 P CA 2.052 65.308 63.100 0.261 0.000 0.837 322 P CB -0.235 31.603 31.700 0.230 0.000 0.786 323 A N -0.023 122.953 122.820 0.259 0.000 1.908 323 A HA -0.160 4.160 4.320 0.000 0.000 0.218 323 A C 2.285 180.034 177.584 0.275 0.000 1.181 323 A CA 2.488 54.699 52.037 0.290 0.000 0.627 323 A CB -1.942 17.135 19.000 0.129 0.000 0.818 323 A HN 0.214 nan 8.150 nan 0.000 0.445 324 T N -0.427 114.239 114.554 0.188 0.000 2.995 324 T HA -0.051 4.299 4.350 0.000 0.000 0.269 324 T C 1.806 176.674 174.700 0.280 0.000 1.091 324 T CA 1.635 63.843 62.100 0.181 0.000 1.128 324 T CB -0.301 68.641 68.868 0.122 0.000 0.891 324 T HN 0.568 nan 8.240 nan 0.000 0.492 325 T N 1.580 116.305 114.554 0.285 0.000 2.896 325 T HA 0.072 4.422 4.350 0.000 0.000 0.263 325 T C 1.497 176.377 174.700 0.301 0.000 1.050 325 T CA 0.531 62.808 62.100 0.296 0.000 1.140 325 T CB -0.441 68.551 68.868 0.206 0.000 0.877 325 T HN 0.265 nan 8.240 nan 0.000 0.457 326 F N 2.271 122.370 119.950 0.249 0.000 2.045 326 F HA -0.225 4.302 4.527 0.000 0.000 0.297 326 F C 2.722 178.569 175.800 0.078 0.000 1.114 326 F CA 1.459 59.533 58.000 0.123 0.000 1.207 326 F CB -0.913 38.044 39.000 -0.071 0.000 0.964 326 F HN 0.149 nan 8.300 nan 0.000 0.486 327 A N -1.565 121.374 122.820 0.198 0.000 2.125 327 A HA -0.180 4.140 4.320 0.000 0.000 0.219 327 A C 1.638 179.184 177.584 -0.064 0.000 1.156 327 A CA 1.308 53.355 52.037 0.018 0.000 0.671 327 A CB -1.020 17.929 19.000 -0.085 0.000 0.794 327 A HN 0.524 nan 8.150 nan 0.000 0.459 328 H N -1.126 118.001 119.070 0.095 0.000 2.553 328 H HA 0.292 4.848 4.556 0.000 0.000 0.269 328 H C -0.388 174.960 175.328 0.034 0.000 1.011 328 H CA 0.487 56.565 56.048 0.050 0.000 1.150 328 H CB -0.151 29.628 29.762 0.028 0.000 1.339 328 H HN 0.339 nan 8.280 nan 0.000 0.604 329 L N 0.044 121.351 121.223 0.141 0.000 2.381 329 L HA 0.203 4.543 4.340 0.000 0.000 0.268 329 L C 0.778 177.696 176.870 0.080 0.000 0.997 329 L CA -0.612 54.285 54.840 0.095 0.000 0.818 329 L CB 2.413 44.538 42.059 0.109 0.000 1.310 329 L HN -0.162 nan 8.230 nan 0.000 0.416 330 D N 1.402 121.828 120.400 0.043 0.000 2.271 330 D HA 0.162 4.802 4.640 0.000 0.000 0.206 330 D C 0.278 176.620 176.300 0.070 0.000 0.967 330 D CA 0.667 54.694 54.000 0.046 0.000 0.867 330 D CB 0.837 41.650 40.800 0.022 0.000 0.960 330 D HN 0.499 nan 8.370 nan 0.000 0.509 331 A N 0.610 123.469 122.820 0.065 0.000 2.437 331 A HA 0.507 4.827 4.320 0.000 0.000 0.293 331 A C -0.476 177.179 177.584 0.119 0.000 1.038 331 A CA -0.701 51.407 52.037 0.118 0.000 0.708 331 A CB 1.231 20.339 19.000 0.181 0.000 1.251 331 A HN -0.032 nan 8.150 nan 0.000 0.409 332 T N -0.108 114.565 114.554 0.197 0.000 2.770 332 T HA 0.655 5.005 4.350 0.000 0.000 0.283 332 T C -0.267 174.580 174.700 0.246 0.000 0.988 332 T CA -0.478 61.779 62.100 0.261 0.000 0.957 332 T CB 1.122 70.213 68.868 0.373 0.000 0.930 332 T HN 0.442 nan 8.240 nan 0.000 0.443 333 T N 3.464 118.142 114.554 0.207 0.000 2.770 333 T HA 0.448 4.798 4.350 0.000 0.000 0.297 333 T C 0.061 174.845 174.700 0.141 0.000 0.997 333 T CA -0.570 61.608 62.100 0.129 0.000 0.949 333 T CB 0.658 69.523 68.868 -0.004 0.000 0.941 333 T HN 0.615 nan 8.240 nan 0.000 0.457 334 V N 5.864 125.869 119.914 0.152 0.000 2.364 334 V HA 0.374 4.494 4.120 0.000 0.000 0.272 334 V C 0.185 176.331 176.094 0.087 0.000 1.036 334 V CA -0.771 61.623 62.300 0.156 0.000 0.880 334 V CB 0.662 32.565 31.823 0.132 0.000 0.991 334 V HN 0.740 nan 8.190 nan 0.000 0.460 335 L N 3.972 125.242 121.223 0.077 0.000 2.325 335 L HA 0.644 4.984 4.340 0.000 0.000 0.279 335 L C 0.347 177.248 176.870 0.051 0.000 1.054 335 L CA 0.066 54.943 54.840 0.062 0.000 0.804 335 L CB 1.769 43.869 42.059 0.070 0.000 1.200 335 L HN 0.686 nan 8.230 nan 0.000 0.436 336 S N 1.566 117.287 115.700 0.034 0.000 2.557 336 S HA 0.345 4.815 4.470 0.000 0.000 0.291 336 S C 0.607 175.205 174.600 -0.003 0.000 1.116 336 S CA -0.761 57.447 58.200 0.014 0.000 0.992 336 S CB 1.769 64.976 63.200 0.010 0.000 1.028 336 S HN 0.720 nan 8.310 nan 0.000 0.484 337 R N 3.287 123.786 120.500 -0.001 0.000 2.081 337 R HA -0.041 4.299 4.340 0.000 0.000 0.235 337 R C 2.096 178.383 176.300 -0.022 0.000 1.131 337 R CA 2.104 58.201 56.100 -0.005 0.000 0.960 337 R CB -0.993 29.309 30.300 0.003 0.000 0.856 337 R HN 0.835 nan 8.270 nan 0.000 0.436 338 G N 1.343 110.132 108.800 -0.018 0.000 2.440 338 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 338 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 338 G C 1.353 176.235 174.900 -0.031 0.000 1.154 338 G CA 0.831 45.919 45.100 -0.021 0.000 0.767 338 G HN 0.209 nan 8.290 nan 0.000 0.552 339 I N 2.092 122.639 120.570 -0.038 0.000 2.233 339 I HA -0.130 4.040 4.170 0.000 0.000 0.243 339 I C 3.156 179.189 176.117 -0.139 0.000 1.093 339 I CA 1.739 63.006 61.300 -0.055 0.000 1.380 339 I CB -1.399 36.581 38.000 -0.032 0.000 1.067 339 I HN 0.363 nan 8.210 nan 0.000 0.413 340 S N 0.732 116.312 115.700 -0.199 0.000 2.399 340 S HA -0.191 4.279 4.470 0.000 0.000 0.231 340 S C 1.741 176.205 174.600 -0.228 0.000 1.022 340 S CA 1.111 59.072 58.200 -0.397 0.000 0.983 340 S CB -0.622 62.409 63.200 -0.281 0.000 0.803 340 S HN 0.494 nan 8.310 nan 0.000 0.480 341 E N 0.999 121.141 120.200 -0.097 0.000 2.204 341 E HA 0.037 4.387 4.350 0.000 0.000 0.194 341 E C 1.681 178.261 176.600 -0.033 0.000 0.989 341 E CA 0.947 57.324 56.400 -0.038 0.000 0.824 341 E CB -0.297 29.392 29.700 -0.019 0.000 0.756 341 E HN 0.579 nan 8.360 nan 0.000 0.477 342 L N -0.702 120.491 121.223 -0.050 0.000 2.552 342 L HA 0.089 4.429 4.340 0.000 0.000 0.227 342 L C 1.461 178.316 176.870 -0.025 0.000 1.146 342 L CA 0.489 55.310 54.840 -0.032 0.000 0.858 342 L CB -0.034 42.015 42.059 -0.017 0.000 0.969 342 L HN 0.291 nan 8.230 nan 0.000 0.451 343 G N 0.359 109.137 108.800 -0.036 0.000 2.157 343 G HA2 -0.227 3.733 3.960 0.000 0.000 0.248 343 G HA3 -0.227 3.733 3.960 0.000 0.000 0.248 343 G C 0.248 175.236 174.900 0.146 0.000 0.979 343 G CA -0.463 44.685 45.100 0.080 0.000 0.650 343 G HN 0.167 nan 8.290 nan 0.000 0.529 344 I N 1.225 121.777 120.570 -0.030 0.000 2.322 344 I HA 0.366 4.537 4.170 0.000 0.000 0.292 344 I C -0.235 175.739 176.117 -0.237 0.000 1.060 344 I CA -0.416 60.897 61.300 0.022 0.000 1.309 344 I CB -0.142 37.883 38.000 0.041 0.000 1.415 344 I HN 0.045 nan 8.210 nan 0.000 0.492 345 Y N 8.320 128.636 120.300 0.026 0.000 2.328 345 Y HA 0.371 4.921 4.550 0.000 0.000 0.336 345 Y C -1.769 174.008 175.900 -0.205 0.000 0.960 345 Y CA -1.868 56.188 58.100 -0.074 0.000 1.134 345 Y CB 1.646 40.032 38.460 -0.123 0.000 1.166 345 Y HN 0.374 nan 8.280 nan 0.000 0.464 346 P HA 0.188 nan 4.420 nan 0.000 0.264 346 P C 0.467 177.921 177.300 0.256 0.000 1.259 346 P CA 1.134 64.347 63.100 0.189 0.000 0.841 346 P CB 0.793 32.729 31.700 0.394 0.000 1.232 347 A N -2.439 120.432 122.820 0.085 0.000 3.330 347 A HA -0.141 4.179 4.320 0.000 0.000 0.248 347 A C 0.512 178.135 177.584 0.066 0.000 1.237 347 A CA 0.212 52.245 52.037 -0.006 0.000 1.268 347 A CB -2.503 16.456 19.000 -0.068 0.000 1.128 347 A HN 0.059 nan 8.150 nan 0.000 0.922 348 V N 2.203 122.194 119.914 0.128 0.000 2.617 348 V HA 0.158 4.278 4.120 0.000 0.000 0.304 348 V C 0.886 177.024 176.094 0.073 0.000 1.040 348 V CA 0.870 63.236 62.300 0.111 0.000 1.149 348 V CB 0.823 32.740 31.823 0.157 0.000 0.914 348 V HN 0.538 nan 8.190 nan 0.000 0.487 349 D N 8.254 128.689 120.400 0.059 0.000 2.344 349 D HA 0.127 4.767 4.640 0.000 0.000 0.253 349 D C -1.165 175.161 176.300 0.045 0.000 1.255 349 D CA -1.961 52.066 54.000 0.045 0.000 0.894 349 D CB 1.585 42.407 40.800 0.037 0.000 1.067 349 D HN 0.304 nan 8.370 nan 0.000 0.492 350 P HA -0.065 nan 4.420 nan 0.000 0.230 350 P C 1.372 178.681 177.300 0.016 0.000 1.158 350 P CA 0.560 63.677 63.100 0.027 0.000 0.769 350 P CB 0.545 32.262 31.700 0.027 0.000 0.807 351 L N -0.923 120.311 121.223 0.018 0.000 2.316 351 L HA 0.143 4.483 4.340 0.000 0.000 0.207 351 L C 2.080 178.951 176.870 0.001 0.000 1.070 351 L CA 0.752 55.596 54.840 0.006 0.000 0.820 351 L CB -0.603 41.459 42.059 0.004 0.000 0.992 351 L HN -0.148 nan 8.230 nan 0.000 0.466 352 D N -0.114 120.291 120.400 0.007 0.000 2.355 352 D HA -0.007 4.633 4.640 0.000 0.000 0.218 352 D C 0.444 176.763 176.300 0.033 0.000 1.004 352 D CA 0.281 54.280 54.000 -0.001 0.000 0.880 352 D CB 0.325 41.121 40.800 -0.007 0.000 0.911 352 D HN 0.001 nan 8.370 nan 0.000 0.528 353 S N 0.453 116.185 115.700 0.054 0.000 2.513 353 S HA 0.384 4.854 4.470 0.000 0.000 0.276 353 S C 0.075 174.725 174.600 0.083 0.000 1.254 353 S CA -0.406 57.848 58.200 0.091 0.000 1.053 353 S CB 1.567 64.825 63.200 0.096 0.000 0.958 353 S HN 0.023 nan 8.310 nan 0.000 0.491 354 K N 1.098 121.567 120.400 0.114 0.000 2.480 354 K HA 0.709 5.029 4.320 0.000 0.000 0.258 354 K C -1.042 175.635 176.600 0.130 0.000 0.990 354 K CA -0.806 55.540 56.287 0.098 0.000 0.857 354 K CB 2.140 34.683 32.500 0.071 0.000 1.384 354 K HN 0.512 nan 8.250 nan 0.000 0.446 355 S N 0.244 116.010 115.700 0.109 0.000 2.563 355 S HA 0.149 4.619 4.470 0.000 0.000 0.279 355 S C 0.187 174.839 174.600 0.087 0.000 1.155 355 S CA -0.812 57.458 58.200 0.118 0.000 0.928 355 S CB 1.118 64.402 63.200 0.140 0.000 1.107 355 S HN 0.753 nan 8.310 nan 0.000 0.462 356 R N 3.773 124.319 120.500 0.076 0.000 2.237 356 R HA 0.137 4.477 4.340 0.000 0.000 0.219 356 R C 1.003 177.330 176.300 0.045 0.000 1.080 356 R CA 0.876 57.009 56.100 0.055 0.000 0.995 356 R CB -0.508 29.818 30.300 0.043 0.000 0.875 356 R HN 0.630 nan 8.270 nan 0.000 0.462 357 L N 1.088 122.342 121.223 0.051 0.000 2.554 357 L HA 0.095 4.435 4.340 0.000 0.000 0.226 357 L C 0.736 177.615 176.870 0.015 0.000 1.137 357 L CA -0.161 54.696 54.840 0.027 0.000 0.863 357 L CB -0.060 42.018 42.059 0.032 0.000 0.985 357 L HN 0.158 nan 8.230 nan 0.000 0.451 358 L N 1.496 122.752 121.223 0.054 0.000 2.382 358 L HA 0.200 4.540 4.340 0.000 0.000 0.259 358 L C -0.603 176.378 176.870 0.184 0.000 1.291 358 L CA 0.513 55.415 54.840 0.104 0.000 1.176 358 L CB -0.524 41.604 42.059 0.114 0.000 1.373 358 L HN -0.029 nan 8.230 nan 0.000 0.426 359 D N 1.873 122.307 120.400 0.057 0.000 2.936 359 D HA 0.401 5.041 4.640 0.000 0.000 0.238 359 D C 0.772 176.953 176.300 -0.198 0.000 1.248 359 D CA 0.122 54.052 54.000 -0.117 0.000 0.903 359 D CB 2.165 42.917 40.800 -0.081 0.000 1.544 359 D HN 0.292 nan 8.370 nan 0.000 0.543 360 A N 3.354 125.892 122.820 -0.470 0.000 1.948 360 A HA -0.074 4.246 4.320 0.000 0.000 0.220 360 A C 2.011 179.511 177.584 -0.141 0.000 1.177 360 A CA 2.236 54.098 52.037 -0.292 0.000 0.636 360 A CB -0.713 18.056 19.000 -0.384 0.000 0.815 360 A HN 0.694 nan 8.150 nan 0.000 0.449 361 A N -1.225 121.508 122.820 -0.144 0.000 2.125 361 A HA 0.162 4.482 4.320 0.000 0.000 0.219 361 A C 1.964 179.512 177.584 -0.059 0.000 1.156 361 A CA 1.797 53.784 52.037 -0.084 0.000 0.671 361 A CB -0.343 18.610 19.000 -0.079 0.000 0.794 361 A HN 0.412 nan 8.150 nan 0.000 0.459 362 V N -1.141 118.733 119.914 -0.066 0.000 2.840 362 V HA -0.054 4.066 4.120 0.000 0.000 0.234 362 V C 2.323 178.384 176.094 -0.055 0.000 1.159 362 V CA 1.219 63.489 62.300 -0.050 0.000 1.194 362 V CB 0.053 31.848 31.823 -0.047 0.000 0.971 362 V HN 0.441 nan 8.190 nan 0.000 0.494 363 V N -0.962 118.896 119.914 -0.094 0.000 3.406 363 V HA 0.636 4.756 4.120 0.000 0.000 0.263 363 V C 0.908 176.998 176.094 -0.007 0.000 1.172 363 V CA 0.522 62.735 62.300 -0.146 0.000 1.140 363 V CB -0.839 30.661 31.823 -0.539 0.000 0.784 363 V HN 0.967 nan 8.190 nan 0.000 0.467 364 G N 0.147 108.955 108.800 0.013 0.000 2.675 364 G HA2 -0.169 3.791 3.960 0.000 0.000 0.686 364 G HA3 -0.169 3.791 3.960 0.000 0.000 0.686 364 G C -0.203 174.759 174.900 0.102 0.000 1.215 364 G CA 0.201 45.336 45.100 0.058 0.000 0.777 364 G HN 0.416 nan 8.290 nan 0.000 0.638 365 Q N 0.012 119.861 119.800 0.083 0.000 2.096 365 Q HA -0.080 4.260 4.340 0.000 0.000 0.204 365 Q C 2.388 178.493 176.000 0.174 0.000 0.982 365 Q CA 2.842 58.713 55.803 0.114 0.000 0.850 365 Q CB -0.228 28.552 28.738 0.072 0.000 0.901 365 Q HN 0.810 nan 8.270 nan 0.000 0.422 366 E N -1.241 119.046 120.200 0.145 0.000 2.031 366 E HA -0.275 4.075 4.350 0.000 0.000 0.193 366 E C 1.952 178.657 176.600 0.176 0.000 0.994 366 E CA 1.145 57.627 56.400 0.136 0.000 0.800 366 E CB -0.277 29.485 29.700 0.104 0.000 0.752 366 E HN 0.524 nan 8.360 nan 0.000 0.447 367 H N -0.249 118.876 119.070 0.091 0.000 2.319 367 H HA -0.217 4.339 4.556 0.000 0.000 0.299 367 H C 1.933 177.314 175.328 0.089 0.000 1.092 367 H CA 2.078 58.174 56.048 0.079 0.000 1.302 367 H CB -0.671 29.136 29.762 0.075 0.000 1.373 367 H HN 0.324 nan 8.280 nan 0.000 0.497 368 Y N 1.594 122.028 120.300 0.224 0.000 2.165 368 Y HA -0.192 4.358 4.550 0.000 0.000 0.286 368 Y C 2.058 178.016 175.900 0.096 0.000 1.155 368 Y CA 2.081 60.254 58.100 0.123 0.000 1.164 368 Y CB -0.226 38.262 38.460 0.046 0.000 0.978 368 Y HN 0.209 nan 8.280 nan 0.000 0.513 369 D N -0.742 119.746 120.400 0.147 0.000 2.117 369 D HA -0.168 4.472 4.640 0.000 0.000 0.198 369 D C 2.420 178.715 176.300 -0.009 0.000 0.982 369 D CA 1.569 55.599 54.000 0.050 0.000 0.828 369 D CB -0.486 40.377 40.800 0.105 0.000 0.967 369 D HN 0.283 nan 8.370 nan 0.000 0.464 370 V N 1.396 121.324 119.914 0.023 0.000 2.287 370 V HA -0.262 3.858 4.120 0.000 0.000 0.248 370 V C 2.523 178.587 176.094 -0.050 0.000 1.053 370 V CA 1.930 64.234 62.300 0.006 0.000 1.027 370 V CB -0.916 30.910 31.823 0.005 0.000 0.646 370 V HN 0.200 nan 8.190 nan 0.000 0.447 371 A N -0.526 122.248 122.820 -0.077 0.000 1.940 371 A HA -0.223 4.097 4.320 0.000 0.000 0.219 371 A C 2.485 179.969 177.584 -0.168 0.000 1.176 371 A CA 2.364 54.328 52.037 -0.122 0.000 0.631 371 A CB -0.694 18.270 19.000 -0.060 0.000 0.814 371 A HN 0.512 nan 8.150 nan 0.000 0.446 372 S N -0.779 114.771 115.700 -0.250 0.000 2.355 372 S HA -0.129 4.341 4.470 0.000 0.000 0.222 372 S C 2.026 176.564 174.600 -0.102 0.000 1.031 372 S CA 1.560 59.625 58.200 -0.225 0.000 0.993 372 S CB -0.221 62.800 63.200 -0.298 0.000 0.859 372 S HN 0.651 nan 8.310 nan 0.000 0.453 373 K N 0.889 121.251 120.400 -0.065 0.000 2.148 373 K HA -0.028 4.292 4.320 0.000 0.000 0.204 373 K C 1.918 178.519 176.600 0.002 0.000 1.050 373 K CA 0.806 57.084 56.287 -0.016 0.000 0.942 373 K CB -0.145 32.360 32.500 0.009 0.000 0.724 373 K HN 0.132 nan 8.250 nan 0.000 0.446 374 V N 1.474 121.386 119.914 -0.004 0.000 2.295 374 V HA -0.275 3.845 4.120 0.000 0.000 0.246 374 V C 2.225 178.321 176.094 0.004 0.000 1.049 374 V CA 1.772 64.083 62.300 0.019 0.000 1.024 374 V CB -0.406 31.402 31.823 -0.026 0.000 0.648 374 V HN 0.423 nan 8.190 nan 0.000 0.447 375 Q N -0.583 119.200 119.800 -0.028 0.000 2.124 375 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 375 Q C 2.263 178.263 176.000 -0.000 0.000 0.977 375 Q CA 1.716 57.508 55.803 -0.018 0.000 0.850 375 Q CB -0.153 28.560 28.738 -0.043 0.000 0.901 375 Q HN 0.700 nan 8.270 nan 0.000 0.429 376 E N -0.242 119.955 120.200 -0.004 0.000 2.072 376 E HA -0.129 4.221 4.350 0.000 0.000 0.191 376 E C 1.990 178.605 176.600 0.026 0.000 0.985 376 E CA 1.456 57.861 56.400 0.008 0.000 0.801 376 E CB 0.085 29.787 29.700 0.002 0.000 0.750 376 E HN 0.301 nan 8.360 nan 0.000 0.452 377 T N 1.576 116.147 114.554 0.029 0.000 2.708 377 T HA -0.123 4.227 4.350 0.000 0.000 0.266 377 T C 1.967 176.708 174.700 0.068 0.000 1.037 377 T CA 0.810 62.934 62.100 0.039 0.000 1.146 377 T CB -0.193 68.692 68.868 0.029 0.000 0.865 377 T HN 0.080 nan 8.240 nan 0.000 0.435 378 L N 0.683 121.948 121.223 0.069 0.000 2.083 378 L HA -0.120 4.220 4.340 0.000 0.000 0.209 378 L C 2.841 179.786 176.870 0.125 0.000 1.083 378 L CA 1.158 56.065 54.840 0.112 0.000 0.752 378 L CB -0.404 41.704 42.059 0.083 0.000 0.899 378 L HN 0.224 nan 8.230 nan 0.000 0.433 379 Q N -0.427 119.416 119.800 0.071 0.000 2.187 379 Q HA -0.119 4.221 4.340 0.000 0.000 0.199 379 Q C 2.024 178.054 176.000 0.051 0.000 0.957 379 Q CA 1.844 57.674 55.803 0.046 0.000 0.857 379 Q CB -0.146 28.604 28.738 0.020 0.000 0.929 379 Q HN 0.324 nan 8.270 nan 0.000 0.453 380 T N 0.040 114.635 114.554 0.067 0.000 2.746 380 T HA -0.173 4.177 4.350 0.000 0.000 0.267 380 T C 1.198 175.963 174.700 0.107 0.000 1.039 380 T CA 1.437 63.578 62.100 0.068 0.000 1.142 380 T CB -0.581 68.325 68.868 0.063 0.000 0.866 380 T HN 0.394 nan 8.240 nan 0.000 0.444 381 Y N 2.095 122.393 120.300 -0.004 0.000 2.097 381 Y HA -0.103 4.447 4.550 0.000 0.000 0.282 381 Y C 2.452 178.348 175.900 -0.006 0.000 1.152 381 Y CA 1.365 59.462 58.100 -0.004 0.000 1.136 381 Y CB -0.372 38.086 38.460 -0.003 0.000 0.975 381 Y HN 0.028 nan 8.280 nan 0.000 0.498 382 K N -0.576 119.777 120.400 -0.078 0.000 2.063 382 K HA -0.162 4.158 4.320 0.000 0.000 0.208 382 K C 2.266 178.789 176.600 -0.128 0.000 1.048 382 K CA 1.599 57.789 56.287 -0.163 0.000 0.928 382 K CB -0.211 32.254 32.500 -0.059 0.000 0.713 382 K HN 0.294 nan 8.250 nan 0.000 0.442 383 S N 1.069 116.732 115.700 -0.063 0.000 2.356 383 S HA -0.091 4.379 4.470 0.000 0.000 0.223 383 S C 1.687 176.252 174.600 -0.060 0.000 1.032 383 S CA 1.093 59.264 58.200 -0.047 0.000 1.005 383 S CB -0.110 63.080 63.200 -0.017 0.000 0.867 383 S HN 0.278 nan 8.310 nan 0.000 0.449 384 L N 1.109 122.297 121.223 -0.059 0.000 2.554 384 L HA 0.073 4.413 4.340 0.000 0.000 0.226 384 L C 2.319 179.136 176.870 -0.089 0.000 1.137 384 L CA 0.349 55.163 54.840 -0.045 0.000 0.863 384 L CB -0.356 41.710 42.059 0.012 0.000 0.985 384 L HN 0.312 nan 8.230 nan 0.000 0.451 385 Q N 0.069 119.762 119.800 -0.177 0.000 2.291 385 Q HA -0.206 4.134 4.340 0.000 0.000 0.206 385 Q C 1.254 177.188 176.000 -0.110 0.000 0.976 385 Q CA 1.299 56.981 55.803 -0.203 0.000 0.875 385 Q CB 0.129 28.685 28.738 -0.303 0.000 0.927 385 Q HN 0.495 nan 8.270 nan 0.000 0.450 386 D N -0.211 120.140 120.400 -0.082 0.000 2.194 386 D HA -0.068 4.572 4.640 0.000 0.000 0.204 386 D C 1.452 177.730 176.300 -0.037 0.000 0.964 386 D CA 0.717 54.685 54.000 -0.054 0.000 0.846 386 D CB 0.071 40.843 40.800 -0.046 0.000 0.962 386 D HN 0.224 nan 8.370 nan 0.000 0.490 387 I N 0.984 121.535 120.570 -0.033 0.000 2.439 387 I HA -0.149 4.021 4.170 0.000 0.000 0.251 387 I C 2.255 178.364 176.117 -0.014 0.000 1.139 387 I CA 0.565 61.854 61.300 -0.018 0.000 1.438 387 I CB -0.047 37.947 38.000 -0.011 0.000 1.085 387 I HN -0.026 nan 8.210 nan 0.000 0.427 388 I N 0.625 121.183 120.570 -0.020 0.000 2.202 388 I HA -0.224 3.946 4.170 0.000 0.000 0.242 388 I C 2.718 178.828 176.117 -0.013 0.000 1.091 388 I CA 1.496 62.791 61.300 -0.009 0.000 1.368 388 I CB -1.344 36.652 38.000 -0.006 0.000 1.058 388 I HN 0.178 nan 8.210 nan 0.000 0.410 389 A N 0.602 123.406 122.820 -0.027 0.000 1.978 389 A HA -0.155 4.165 4.320 0.000 0.000 0.220 389 A C 2.186 179.760 177.584 -0.016 0.000 1.170 389 A CA 1.798 53.820 52.037 -0.024 0.000 0.636 389 A CB -0.422 18.558 19.000 -0.034 0.000 0.810 389 A HN 0.385 nan 8.150 nan 0.000 0.448 390 I N -2.201 118.360 120.570 -0.015 0.000 3.300 390 I HA 0.142 4.312 4.170 0.000 0.000 0.279 390 I C 1.805 177.918 176.117 -0.007 0.000 1.172 390 I CA 0.684 61.977 61.300 -0.011 0.000 1.431 390 I CB 0.182 38.175 38.000 -0.013 0.000 1.240 390 I HN 0.159 nan 8.210 nan 0.000 0.453 391 L N -0.551 120.669 121.223 -0.006 0.000 2.609 391 L HA 0.491 4.832 4.340 0.000 0.000 0.230 391 L C 0.903 177.773 176.870 0.000 0.000 1.087 391 L CA 0.248 55.087 54.840 -0.003 0.000 0.874 391 L CB -0.196 41.862 42.059 -0.003 0.000 1.114 391 L HN 0.312 nan 8.230 nan 0.000 0.488 392 G N -0.321 108.480 108.800 0.001 0.000 2.814 392 G HA2 -0.275 3.685 3.960 0.000 0.000 0.677 392 G HA3 -0.275 3.685 3.960 0.000 0.000 0.677 392 G C 0.349 175.256 174.900 0.012 0.000 1.429 392 G CA -0.131 44.972 45.100 0.007 0.000 0.868 392 G HN -0.047 nan 8.290 nan 0.000 0.553 393 M N -0.248 119.363 119.600 0.017 0.000 2.358 393 M HA -0.090 4.390 4.480 0.000 0.000 0.264 393 M C 2.022 178.332 176.300 0.016 0.000 1.064 393 M CA 2.090 57.404 55.300 0.022 0.000 1.093 393 M CB -0.434 32.181 32.600 0.026 0.000 1.401 393 M HN 0.705 nan 8.290 nan 0.000 0.440 394 D N 0.510 120.916 120.400 0.011 0.000 2.218 394 D HA -0.200 4.440 4.640 0.000 0.000 0.204 394 D C 1.704 178.009 176.300 0.008 0.000 0.976 394 D CA 1.243 55.248 54.000 0.008 0.000 0.853 394 D CB 0.140 40.944 40.800 0.006 0.000 0.939 394 D HN 0.188 nan 8.370 nan 0.000 0.481 395 E N -0.710 119.495 120.200 0.008 0.000 2.371 395 E HA 0.060 4.410 4.350 0.000 0.000 0.194 395 E C 0.274 176.879 176.600 0.008 0.000 1.012 395 E CA -0.104 56.300 56.400 0.007 0.000 0.860 395 E CB 0.051 29.754 29.700 0.005 0.000 0.811 395 E HN 0.173 nan 8.360 nan 0.000 0.502 396 L N 0.773 122.004 121.223 0.012 0.000 2.473 396 L HA 0.099 4.439 4.340 0.000 0.000 0.268 396 L C 0.887 177.764 176.870 0.012 0.000 1.215 396 L CA 0.380 55.229 54.840 0.015 0.000 0.823 396 L CB 0.632 42.705 42.059 0.023 0.000 1.099 396 L HN 0.048 nan 8.230 nan 0.000 0.483 397 S N 0.779 116.486 115.700 0.012 0.000 2.589 397 S HA 0.024 4.494 4.470 0.000 0.000 0.265 397 S C 1.287 175.893 174.600 0.010 0.000 1.342 397 S CA -0.431 57.775 58.200 0.010 0.000 1.005 397 S CB 0.593 63.799 63.200 0.010 0.000 0.909 397 S HN 0.562 nan 8.310 nan 0.000 0.555 398 E N 1.572 121.776 120.200 0.007 0.000 2.058 398 E HA -0.213 4.137 4.350 0.000 0.000 0.194 398 E C 1.895 178.499 176.600 0.006 0.000 0.997 398 E CA 1.380 57.784 56.400 0.006 0.000 0.801 398 E CB -0.350 29.353 29.700 0.004 0.000 0.746 398 E HN 0.779 nan 8.360 nan 0.000 0.450 399 Q N 0.278 120.082 119.800 0.007 0.000 2.230 399 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 399 Q C 1.429 177.435 176.000 0.011 0.000 0.963 399 Q CA 0.901 56.708 55.803 0.007 0.000 0.866 399 Q CB 0.216 28.959 28.738 0.008 0.000 0.931 399 Q HN 0.179 nan 8.270 nan 0.000 0.452 400 D N 0.480 120.889 120.400 0.014 0.000 2.123 400 D HA -0.106 4.534 4.640 0.000 0.000 0.200 400 D C 1.660 177.975 176.300 0.024 0.000 0.976 400 D CA 0.920 54.934 54.000 0.023 0.000 0.831 400 D CB 0.130 40.945 40.800 0.025 0.000 0.974 400 D HN 0.208 nan 8.370 nan 0.000 0.469 401 K N 0.356 120.767 120.400 0.017 0.000 2.044 401 K HA -0.171 4.149 4.320 0.000 0.000 0.210 401 K C 2.093 178.692 176.600 -0.001 0.000 1.049 401 K CA 0.688 56.982 56.287 0.013 0.000 0.927 401 K CB -0.195 32.310 32.500 0.009 0.000 0.713 401 K HN 0.026 nan 8.250 nan 0.000 0.443 402 L N 0.979 122.199 121.223 -0.004 0.000 2.141 402 L HA -0.121 4.219 4.340 0.000 0.000 0.209 402 L C 1.962 178.818 176.870 -0.024 0.000 1.094 402 L CA 1.785 56.617 54.840 -0.015 0.000 0.763 402 L CB -0.431 41.623 42.059 -0.009 0.000 0.908 402 L HN 0.105 nan 8.230 nan 0.000 0.437 403 T N -1.593 112.955 114.554 -0.009 0.000 2.857 403 T HA -0.105 4.245 4.350 0.000 0.000 0.266 403 T C 1.934 176.613 174.700 -0.034 0.000 1.048 403 T CA 1.416 63.511 62.100 -0.009 0.000 1.139 403 T CB -0.155 68.724 68.868 0.017 0.000 0.874 403 T HN 0.161 nan 8.240 nan 0.000 0.455 404 V N 1.405 121.308 119.914 -0.018 0.000 2.307 404 V HA -0.124 3.996 4.120 0.000 0.000 0.245 404 V C 2.452 178.430 176.094 -0.193 0.000 1.045 404 V CA 1.583 63.847 62.300 -0.059 0.000 1.024 404 V CB -0.513 31.354 31.823 0.073 0.000 0.651 404 V HN 0.500 nan 8.190 nan 0.000 0.449 405 E N -0.274 119.856 120.200 -0.117 0.000 2.110 405 E HA -0.187 4.163 4.350 0.000 0.000 0.193 405 E C 2.504 178.996 176.600 -0.181 0.000 0.988 405 E CA 0.956 57.278 56.400 -0.131 0.000 0.804 405 E CB -0.110 29.546 29.700 -0.073 0.000 0.745 405 E HN 0.481 nan 8.360 nan 0.000 0.458 406 R N 0.076 120.482 120.500 -0.156 0.000 2.090 406 R HA -0.036 4.304 4.340 0.000 0.000 0.228 406 R C 2.318 178.492 176.300 -0.210 0.000 1.110 406 R CA 0.949 56.946 56.100 -0.172 0.000 0.973 406 R CB -0.167 30.077 30.300 -0.093 0.000 0.869 406 R HN 0.088 nan 8.270 nan 0.000 0.440 407 A N 1.222 123.901 122.820 -0.235 0.000 1.930 407 A HA -0.154 4.166 4.320 0.000 0.000 0.217 407 A C 2.066 179.420 177.584 -0.385 0.000 1.175 407 A CA 1.094 52.959 52.037 -0.286 0.000 0.627 407 A CB -0.300 18.479 19.000 -0.368 0.000 0.815 407 A HN 0.210 nan 8.150 nan 0.000 0.443 408 R N -0.259 119.948 120.500 -0.488 0.000 2.092 408 R HA -0.087 4.253 4.340 0.000 0.000 0.231 408 R C 2.150 178.307 176.300 -0.237 0.000 1.119 408 R CA 1.563 57.439 56.100 -0.372 0.000 0.970 408 R CB -0.231 29.881 30.300 -0.313 0.000 0.864 408 R HN 0.513 nan 8.270 nan 0.000 0.440 409 K N 0.520 120.716 120.400 -0.340 0.000 2.025 409 K HA -0.082 4.238 4.320 0.000 0.000 0.207 409 K C 2.086 178.470 176.600 -0.360 0.000 1.049 409 K CA 1.252 57.188 56.287 -0.585 0.000 0.933 409 K CB -0.139 31.700 32.500 -1.101 0.000 0.714 409 K HN 0.101 nan 8.250 nan 0.000 0.438 410 I N 1.521 121.979 120.570 -0.187 0.000 2.127 410 I HA -0.350 3.820 4.170 0.000 0.000 0.241 410 I C 2.621 178.852 176.117 0.190 0.000 1.075 410 I CA 1.419 62.782 61.300 0.105 0.000 1.334 410 I CB -0.318 37.774 38.000 0.153 0.000 1.040 410 I HN 0.262 nan 8.210 nan 0.000 0.405 411 Q N 0.352 120.201 119.800 0.083 0.000 2.062 411 Q HA -0.295 4.045 4.340 0.000 0.000 0.209 411 Q C 2.419 178.521 176.000 0.170 0.000 0.996 411 Q CA 2.041 57.911 55.803 0.112 0.000 0.859 411 Q CB -0.188 28.590 28.738 0.066 0.000 0.920 411 Q HN 0.456 nan 8.270 nan 0.000 0.415 412 R N -0.764 119.840 120.500 0.174 0.000 2.092 412 R HA -0.099 4.241 4.340 0.000 0.000 0.231 412 R C 2.022 178.540 176.300 0.363 0.000 1.119 412 R CA 0.932 57.207 56.100 0.291 0.000 0.970 412 R CB -0.214 30.260 30.300 0.291 0.000 0.864 412 R HN 0.183 nan 8.270 nan 0.000 0.440 413 F N 0.978 121.010 119.950 0.137 0.000 2.407 413 F HA 0.013 4.540 4.527 0.000 0.000 0.299 413 F C 1.437 177.377 175.800 0.233 0.000 1.097 413 F CA 0.898 58.974 58.000 0.126 0.000 1.422 413 F CB -0.049 38.908 39.000 -0.071 0.000 1.067 413 F HN -0.063 nan 8.300 nan 0.000 0.539 414 L N -0.338 121.078 121.223 0.322 0.000 2.478 414 L HA -0.021 4.319 4.340 0.000 0.000 0.223 414 L C 1.379 178.317 176.870 0.113 0.000 1.140 414 L CA 0.373 55.335 54.840 0.204 0.000 0.842 414 L CB -0.728 41.432 42.059 0.169 0.000 0.953 414 L HN 0.098 nan 8.230 nan 0.000 0.452 415 S N -0.260 115.513 115.700 0.122 0.000 2.603 415 S HA 0.338 4.808 4.470 0.000 0.000 0.268 415 S C -0.343 174.238 174.600 -0.031 0.000 1.317 415 S CA -0.449 57.772 58.200 0.035 0.000 1.012 415 S CB 1.839 65.064 63.200 0.041 0.000 0.926 415 S HN 0.278 nan 8.310 nan 0.000 0.539 416 Q N 0.971 120.695 119.800 -0.127 0.000 2.327 416 Q HA 0.386 4.726 4.340 0.000 0.000 0.265 416 Q C -3.054 172.814 176.000 -0.220 0.000 0.993 416 Q CA -1.900 53.833 55.803 -0.118 0.000 0.885 416 Q CB 2.281 31.010 28.738 -0.015 0.000 1.379 416 Q HN 0.570 nan 8.270 nan 0.000 0.408 417 P HA 0.142 nan 4.420 nan 0.000 0.276 417 P C -0.926 176.435 177.300 0.102 0.000 1.264 417 P CA -0.015 63.042 63.100 -0.072 0.000 0.769 417 P CB 0.118 31.791 31.700 -0.045 0.000 0.840 418 F N 2.126 122.057 119.950 -0.032 0.000 2.389 418 F HA 0.282 4.809 4.527 0.000 0.000 0.337 418 F C 1.908 177.682 175.800 -0.043 0.000 1.112 418 F CA -1.194 56.776 58.000 -0.050 0.000 1.192 418 F CB -0.008 38.960 39.000 -0.054 0.000 1.185 418 F HN 0.380 nan 8.300 nan 0.000 0.552 419 A N 2.574 125.470 122.820 0.127 0.000 1.902 419 A HA -0.082 4.238 4.320 0.000 0.000 0.217 419 A C 2.059 179.656 177.584 0.021 0.000 1.181 419 A CA 1.755 53.812 52.037 0.035 0.000 0.623 419 A CB -0.854 18.136 19.000 -0.017 0.000 0.818 419 A HN 0.540 nan 8.150 nan 0.000 0.443 420 V N -0.713 119.221 119.914 0.034 0.000 2.871 420 V HA -0.036 4.084 4.120 0.000 0.000 0.256 420 V C 2.447 178.580 176.094 0.064 0.000 1.082 420 V CA 1.411 63.723 62.300 0.020 0.000 1.105 420 V CB -0.489 31.337 31.823 0.005 0.000 0.713 420 V HN 0.577 nan 8.190 nan 0.000 0.473 421 A N -0.829 122.089 122.820 0.163 0.000 2.337 421 A HA 0.077 4.397 4.320 0.000 0.000 0.227 421 A C 1.963 179.574 177.584 0.045 0.000 1.259 421 A CA 0.363 52.537 52.037 0.228 0.000 0.870 421 A CB -0.329 18.845 19.000 0.290 0.000 0.927 421 A HN 0.541 nan 8.150 nan 0.000 0.497 422 E N 0.292 120.467 120.200 -0.041 0.000 2.118 422 E HA -0.180 4.170 4.350 0.000 0.000 0.195 422 E C 1.856 178.375 176.600 -0.135 0.000 0.992 422 E CA 1.833 58.194 56.400 -0.064 0.000 0.804 422 E CB -0.158 29.507 29.700 -0.058 0.000 0.741 422 E HN 0.571 nan 8.360 nan 0.000 0.458 423 V N -1.374 118.361 119.914 -0.299 0.000 2.720 423 V HA -0.177 3.943 4.120 0.000 0.000 0.256 423 V C 1.757 177.634 176.094 -0.362 0.000 1.082 423 V CA 1.307 63.377 62.300 -0.384 0.000 1.101 423 V CB -0.833 30.670 31.823 -0.535 0.000 0.693 423 V HN 0.136 nan 8.190 nan 0.000 0.479 424 F N 2.120 122.048 119.950 -0.037 0.000 2.473 424 F HA 0.122 4.649 4.527 0.000 0.000 0.294 424 F C 2.528 178.305 175.800 -0.039 0.000 1.103 424 F CA 1.223 59.192 58.000 -0.052 0.000 1.442 424 F CB -0.897 38.037 39.000 -0.110 0.000 1.097 424 F HN 0.369 nan 8.300 nan 0.000 0.547 425 T N -4.793 109.822 114.554 0.103 0.000 3.026 425 T HA 0.435 4.785 4.350 0.000 0.000 0.245 425 T C 1.911 176.635 174.700 0.041 0.000 1.004 425 T CA 0.626 62.768 62.100 0.070 0.000 1.069 425 T CB 0.087 68.979 68.868 0.041 0.000 1.005 425 T HN 0.309 nan 8.240 nan 0.000 0.472 426 G N 1.748 110.554 108.800 0.010 0.000 2.179 426 G HA2 -0.196 3.764 3.960 0.000 0.000 0.260 426 G HA3 -0.196 3.764 3.960 0.000 0.000 0.260 426 G C -0.020 174.880 174.900 0.000 0.000 0.977 426 G CA 0.195 45.296 45.100 0.001 0.000 0.641 426 G HN 0.678 nan 8.290 nan 0.000 0.533 427 I N 1.961 122.530 120.570 -0.001 0.000 2.336 427 I HA 0.363 4.533 4.170 0.000 0.000 0.292 427 I C -1.972 174.138 176.117 -0.012 0.000 0.991 427 I CA -2.533 58.761 61.300 -0.010 0.000 1.227 427 I CB 1.619 39.605 38.000 -0.023 0.000 1.366 427 I HN -0.175 nan 8.210 nan 0.000 0.466 428 P HA 0.044 nan 4.420 nan 0.000 0.265 428 P C 0.216 177.515 177.300 -0.002 0.000 1.193 428 P CA -0.119 62.975 63.100 -0.010 0.000 0.765 428 P CB 0.427 32.120 31.700 -0.012 0.000 0.823 429 G N 3.179 111.985 108.800 0.010 0.000 2.491 429 G HA2 0.231 4.191 3.960 0.000 0.000 0.238 429 G HA3 0.231 4.191 3.960 0.000 0.000 0.238 429 G C -0.441 174.475 174.900 0.027 0.000 1.277 429 G CA -0.298 44.823 45.100 0.035 0.000 0.851 429 G HN 0.311 nan 8.290 nan 0.000 0.573 430 K N 0.866 121.295 120.400 0.047 0.000 2.427 430 K HA 0.404 4.724 4.320 0.000 0.000 0.252 430 K C -1.260 175.368 176.600 0.045 0.000 0.931 430 K CA -0.674 55.632 56.287 0.032 0.000 0.793 430 K CB 2.791 35.304 32.500 0.021 0.000 1.211 430 K HN 0.386 nan 8.250 nan 0.000 0.426 431 L N 2.622 123.858 121.223 0.021 0.000 2.333 431 L HA 0.493 4.833 4.340 0.000 0.000 0.280 431 L C -1.217 175.660 176.870 0.011 0.000 1.004 431 L CA -0.876 53.970 54.840 0.011 0.000 0.820 431 L CB 1.644 43.699 42.059 -0.008 0.000 1.247 431 L HN 0.249 nan 8.230 nan 0.000 0.416 432 V N 4.659 124.580 119.914 0.011 0.000 2.444 432 V HA 0.522 4.642 4.120 0.000 0.000 0.294 432 V C -0.149 175.949 176.094 0.007 0.000 1.022 432 V CA -0.982 61.324 62.300 0.009 0.000 0.850 432 V CB 1.489 33.315 31.823 0.004 0.000 0.992 432 V HN 0.669 nan 8.190 nan 0.000 0.426 433 R N 2.626 123.133 120.500 0.012 0.000 2.640 433 R HA 0.108 4.448 4.340 0.000 0.000 0.270 433 R C 1.306 177.615 176.300 0.016 0.000 1.024 433 R CA -0.146 55.963 56.100 0.015 0.000 1.085 433 R CB 0.065 30.376 30.300 0.019 0.000 0.963 433 R HN 0.814 nan 8.270 nan 0.000 0.426 434 L N 3.337 124.572 121.223 0.019 0.000 2.043 434 L HA -0.269 4.071 4.340 0.000 0.000 0.212 434 L C 1.911 178.789 176.870 0.013 0.000 1.075 434 L CA 1.893 56.746 54.840 0.022 0.000 0.752 434 L CB -0.067 42.026 42.059 0.056 0.000 0.891 434 L HN 0.570 nan 8.230 nan 0.000 0.432 435 K N -0.448 119.970 120.400 0.029 0.000 2.097 435 K HA -0.173 4.147 4.320 0.000 0.000 0.206 435 K C 1.723 178.342 176.600 0.032 0.000 1.049 435 K CA 1.645 57.951 56.287 0.031 0.000 0.933 435 K CB -0.210 32.313 32.500 0.039 0.000 0.717 435 K HN 0.461 nan 8.250 nan 0.000 0.442 436 D N 0.003 120.425 120.400 0.036 0.000 2.178 436 D HA -0.090 4.550 4.640 0.000 0.000 0.202 436 D C 1.757 178.099 176.300 0.071 0.000 0.974 436 D CA 1.170 55.201 54.000 0.051 0.000 0.841 436 D CB -0.150 40.676 40.800 0.043 0.000 0.953 436 D HN 0.174 nan 8.370 nan 0.000 0.478 437 T N 0.782 115.365 114.554 0.048 0.000 2.708 437 T HA -0.085 4.265 4.350 0.000 0.000 0.266 437 T C 2.336 177.115 174.700 0.132 0.000 1.037 437 T CA 0.718 62.868 62.100 0.084 0.000 1.146 437 T CB -0.290 68.573 68.868 -0.009 0.000 0.865 437 T HN -0.020 nan 8.240 nan 0.000 0.435 438 V N 1.830 121.739 119.914 -0.009 0.000 2.295 438 V HA -0.150 3.970 4.120 0.000 0.000 0.246 438 V C 2.949 179.089 176.094 0.078 0.000 1.049 438 V CA 1.697 63.965 62.300 -0.054 0.000 1.024 438 V CB -1.305 30.416 31.823 -0.170 0.000 0.648 438 V HN 0.529 nan 8.190 nan 0.000 0.447 439 A N -0.259 122.612 122.820 0.084 0.000 1.908 439 A HA -0.225 4.095 4.320 0.000 0.000 0.218 439 A C 2.491 180.172 177.584 0.162 0.000 1.181 439 A CA 2.371 54.474 52.037 0.109 0.000 0.627 439 A CB -0.786 18.267 19.000 0.089 0.000 0.818 439 A HN 0.506 nan 8.150 nan 0.000 0.445 440 S N -1.054 114.759 115.700 0.189 0.000 2.368 440 S HA -0.105 4.365 4.470 0.000 0.000 0.225 440 S C 1.605 176.352 174.600 0.245 0.000 1.030 440 S CA 1.549 59.883 58.200 0.223 0.000 0.999 440 S CB -0.486 62.884 63.200 0.283 0.000 0.844 440 S HN 0.551 nan 8.310 nan 0.000 0.459 441 F N 1.585 121.657 119.950 0.203 0.000 2.293 441 F HA 0.101 4.628 4.527 0.000 0.000 0.297 441 F C 2.275 178.154 175.800 0.132 0.000 1.089 441 F CA 0.822 58.934 58.000 0.186 0.000 1.377 441 F CB -0.165 38.874 39.000 0.066 0.000 1.051 441 F HN 0.062 nan 8.300 nan 0.000 0.511 442 K N 0.589 121.147 120.400 0.262 0.000 2.032 442 K HA -0.197 4.123 4.320 0.000 0.000 0.209 442 K C 2.277 178.969 176.600 0.154 0.000 1.048 442 K CA 1.341 57.730 56.287 0.169 0.000 0.927 442 K CB -0.332 32.242 32.500 0.124 0.000 0.712 442 K HN 0.199 nan 8.250 nan 0.000 0.441 443 A N 0.646 123.576 122.820 0.183 0.000 1.908 443 A HA -0.125 4.195 4.320 0.000 0.000 0.218 443 A C 2.236 179.953 177.584 0.223 0.000 1.181 443 A CA 1.735 53.893 52.037 0.202 0.000 0.627 443 A CB -0.648 18.555 19.000 0.339 0.000 0.818 443 A HN 0.195 nan 8.150 nan 0.000 0.445 444 V N -0.003 120.056 119.914 0.242 0.000 2.343 444 V HA -0.252 3.868 4.120 0.000 0.000 0.247 444 V C 2.517 178.672 176.094 0.102 0.000 1.051 444 V CA 1.953 64.360 62.300 0.179 0.000 1.036 444 V CB -0.746 31.109 31.823 0.053 0.000 0.654 444 V HN 0.575 nan 8.190 nan 0.000 0.451 445 L N -0.384 120.906 121.223 0.112 0.000 2.201 445 L HA -0.150 4.190 4.340 0.000 0.000 0.212 445 L C 2.371 179.274 176.870 0.054 0.000 1.105 445 L CA 1.400 56.288 54.840 0.081 0.000 0.775 445 L CB -0.470 41.647 42.059 0.097 0.000 0.913 445 L HN 0.400 nan 8.230 nan 0.000 0.440 446 E N -0.336 119.898 120.200 0.056 0.000 2.435 446 E HA 0.037 4.387 4.350 0.000 0.000 0.195 446 E C 1.200 177.803 176.600 0.005 0.000 1.029 446 E CA 0.490 56.907 56.400 0.028 0.000 0.865 446 E CB 0.233 29.948 29.700 0.026 0.000 0.833 446 E HN 0.496 nan 8.360 nan 0.000 0.510 447 G N 1.867 110.673 108.800 0.010 0.000 2.142 447 G HA2 -0.298 3.662 3.960 0.000 0.000 0.225 447 G HA3 -0.298 3.662 3.960 0.000 0.000 0.225 447 G C 0.623 175.485 174.900 -0.063 0.000 1.015 447 G CA 0.299 45.393 45.100 -0.010 0.000 0.716 447 G HN 0.185 nan 8.290 nan 0.000 0.508 448 K N -1.045 119.278 120.400 -0.128 0.000 2.432 448 K HA 0.182 4.502 4.320 0.000 0.000 0.196 448 K C 0.356 176.588 176.600 -0.614 0.000 1.038 448 K CA 0.755 56.813 56.287 -0.382 0.000 0.986 448 K CB 0.116 32.306 32.500 -0.517 0.000 0.782 448 K HN 0.558 nan 8.250 nan 0.000 0.485 449 Y N -0.215 120.096 120.300 0.018 0.000 2.629 449 Y HA 0.148 4.698 4.550 0.000 0.000 0.282 449 Y C 0.212 176.156 175.900 0.073 0.000 0.994 449 Y CA -0.753 57.377 58.100 0.050 0.000 1.126 449 Y CB 0.457 38.974 38.460 0.095 0.000 1.187 449 Y HN -0.053 nan 8.280 nan 0.000 0.600 450 D N 0.282 120.741 120.400 0.098 0.000 2.194 450 D HA -0.133 4.507 4.640 0.000 0.000 0.204 450 D C 1.751 178.090 176.300 0.066 0.000 0.964 450 D CA 1.193 55.228 54.000 0.059 0.000 0.846 450 D CB -0.005 40.802 40.800 0.012 0.000 0.962 450 D HN 0.462 nan 8.370 nan 0.000 0.490 451 N N 0.950 119.686 118.700 0.061 0.000 2.381 451 N HA -0.123 4.617 4.740 0.000 0.000 0.182 451 N C 0.716 176.272 175.510 0.076 0.000 1.025 451 N CA 0.236 53.317 53.050 0.051 0.000 0.888 451 N CB -0.482 38.021 38.487 0.027 0.000 0.965 451 N HN 0.197 nan 8.380 nan 0.000 0.438 452 I N 2.781 123.429 120.570 0.129 0.000 2.533 452 I HA 0.113 4.283 4.170 0.000 0.000 0.284 452 I C -1.805 174.431 176.117 0.198 0.000 1.109 452 I CA -1.844 59.534 61.300 0.130 0.000 1.412 452 I CB 0.726 38.779 38.000 0.088 0.000 1.396 452 I HN 0.007 nan 8.210 nan 0.000 0.543 453 P HA 0.059 nan 4.420 nan 0.000 0.272 453 P C 0.191 177.635 177.300 0.240 0.000 1.240 453 P CA -0.161 63.022 63.100 0.139 0.000 0.791 453 P CB 0.799 32.553 31.700 0.090 0.000 0.978 454 E N 0.047 120.360 120.200 0.189 0.000 2.038 454 E HA -0.277 4.073 4.350 0.000 0.000 0.195 454 E C 1.855 178.634 176.600 0.299 0.000 1.000 454 E CA 1.499 58.027 56.400 0.213 0.000 0.803 454 E CB -0.556 29.197 29.700 0.089 0.000 0.750 454 E HN 0.606 nan 8.360 nan 0.000 0.448 455 H N 0.216 119.359 119.070 0.123 0.000 2.489 455 H HA -0.054 4.502 4.556 0.000 0.000 0.295 455 H C 1.691 177.104 175.328 0.141 0.000 1.082 455 H CA 1.350 57.473 56.048 0.125 0.000 1.295 455 H CB -0.106 29.696 29.762 0.067 0.000 1.380 455 H HN 0.187 nan 8.280 nan 0.000 0.548 456 A N -0.605 122.219 122.820 0.007 0.000 2.015 456 A HA -0.084 4.236 4.320 0.000 0.000 0.219 456 A C 1.772 179.154 177.584 -0.336 0.000 1.163 456 A CA 1.141 53.048 52.037 -0.217 0.000 0.646 456 A CB -0.822 17.995 19.000 -0.305 0.000 0.806 456 A HN 0.436 nan 8.150 nan 0.000 0.448 457 F N -2.367 117.500 119.950 -0.139 0.000 2.710 457 F HA 0.135 4.662 4.527 0.000 0.000 0.298 457 F C 0.804 176.631 175.800 0.045 0.000 1.137 457 F CA -0.036 57.875 58.000 -0.148 0.000 1.444 457 F CB -0.246 38.645 39.000 -0.182 0.000 1.111 457 F HN 0.288 nan 8.300 nan 0.000 0.580 458 Y N 1.298 121.613 120.300 0.025 0.000 2.402 458 Y HA 0.307 4.857 4.550 0.000 0.000 0.333 458 Y C 0.686 176.564 175.900 -0.038 0.000 1.076 458 Y CA -1.697 56.407 58.100 0.007 0.000 1.299 458 Y CB 0.296 38.741 38.460 -0.024 0.000 1.197 458 Y HN 0.144 nan 8.280 nan 0.000 0.517 459 M N 5.116 124.411 119.600 -0.509 0.000 2.573 459 M HA -0.161 4.319 4.480 0.000 0.000 0.184 459 M C -1.627 174.538 176.300 -0.224 0.000 0.953 459 M CA 1.258 56.260 55.300 -0.497 0.000 0.592 459 M CB -1.313 30.793 32.600 -0.824 0.000 1.151 459 M HN 0.454 nan 8.290 nan 0.000 0.850 460 V N -2.122 117.742 119.914 -0.084 0.000 3.105 460 V HA 1.096 5.216 4.120 0.000 0.000 0.311 460 V C 0.831 176.944 176.094 0.032 0.000 1.287 460 V CA -0.368 61.914 62.300 -0.030 0.000 1.066 460 V CB 1.222 33.023 31.823 -0.036 0.000 1.105 460 V HN 0.475 nan 8.190 nan 0.000 0.462 461 G N -0.305 108.516 108.800 0.036 0.000 3.229 461 G HA2 0.552 4.512 3.960 0.000 0.000 0.165 461 G HA3 0.552 4.512 3.960 0.000 0.000 0.165 461 G C 0.548 175.515 174.900 0.112 0.000 1.753 461 G CA -0.020 45.108 45.100 0.047 0.000 1.054 461 G HN 1.378 nan 8.290 nan 0.000 0.544 462 G N -1.028 107.826 108.800 0.090 0.000 2.489 462 G HA2 0.312 4.272 3.960 0.000 0.000 0.271 462 G HA3 0.312 4.272 3.960 0.000 0.000 0.271 462 G C 0.880 175.888 174.900 0.180 0.000 1.427 462 G CA 0.036 45.223 45.100 0.144 0.000 1.057 462 G HN 0.366 nan 8.290 nan 0.000 0.532 463 I N -0.419 120.218 120.570 0.112 0.000 2.439 463 I HA -0.016 4.154 4.170 0.000 0.000 0.251 463 I C 2.571 178.560 176.117 -0.212 0.000 1.139 463 I CA 1.287 62.503 61.300 -0.140 0.000 1.438 463 I CB -0.281 37.612 38.000 -0.178 0.000 1.085 463 I HN 0.655 nan 8.210 nan 0.000 0.427 464 E N 0.082 120.227 120.200 -0.091 0.000 2.153 464 E HA -0.233 4.117 4.350 0.000 0.000 0.194 464 E C 1.540 178.076 176.600 -0.106 0.000 0.988 464 E CA 1.308 57.659 56.400 -0.082 0.000 0.811 464 E CB -0.141 29.540 29.700 -0.033 0.000 0.746 464 E HN 0.513 nan 8.360 nan 0.000 0.466 465 D N 0.097 120.440 120.400 -0.095 0.000 2.144 465 D HA -0.102 4.538 4.640 0.000 0.000 0.200 465 D C 2.017 178.201 176.300 -0.193 0.000 0.978 465 D CA 0.590 54.528 54.000 -0.104 0.000 0.833 465 D CB -0.045 40.725 40.800 -0.050 0.000 0.961 465 D HN 0.008 nan 8.370 nan 0.000 0.470 466 V N 0.447 120.172 119.914 -0.315 0.000 2.307 466 V HA -0.190 3.930 4.120 0.000 0.000 0.245 466 V C 2.627 178.445 176.094 -0.461 0.000 1.045 466 V CA 0.972 62.941 62.300 -0.552 0.000 1.024 466 V CB -0.449 30.774 31.823 -1.000 0.000 0.651 466 V HN 0.060 nan 8.190 nan 0.000 0.449 467 V N 0.339 120.036 119.914 -0.361 0.000 2.343 467 V HA -0.264 3.856 4.120 0.000 0.000 0.247 467 V C 2.690 178.696 176.094 -0.147 0.000 1.051 467 V CA 2.083 64.253 62.300 -0.216 0.000 1.036 467 V CB -1.042 30.707 31.823 -0.124 0.000 0.654 467 V HN 0.565 nan 8.190 nan 0.000 0.451 468 A N -0.611 122.129 122.820 -0.135 0.000 1.930 468 A HA -0.231 4.089 4.320 0.000 0.000 0.217 468 A C 2.340 179.867 177.584 -0.096 0.000 1.175 468 A CA 2.000 53.981 52.037 -0.093 0.000 0.627 468 A CB -0.423 18.531 19.000 -0.076 0.000 0.815 468 A HN 0.502 nan 8.150 nan 0.000 0.443 469 K N -0.440 119.880 120.400 -0.133 0.000 2.155 469 K HA 0.018 4.338 4.320 0.000 0.000 0.203 469 K C 2.091 178.627 176.600 -0.106 0.000 1.052 469 K CA 0.921 57.136 56.287 -0.120 0.000 0.948 469 K CB -0.235 32.169 32.500 -0.160 0.000 0.728 469 K HN 0.385 nan 8.250 nan 0.000 0.448 470 A N 1.290 124.025 122.820 -0.141 0.000 1.930 470 A HA -0.152 4.168 4.320 0.000 0.000 0.217 470 A C 1.689 179.240 177.584 -0.056 0.000 1.175 470 A CA 1.434 53.407 52.037 -0.106 0.000 0.627 470 A CB -0.300 18.615 19.000 -0.142 0.000 0.815 470 A HN 0.404 nan 8.150 nan 0.000 0.443 471 E N -0.643 119.523 120.200 -0.056 0.000 2.216 471 E HA -0.104 4.246 4.350 0.000 0.000 0.192 471 E C 1.942 178.529 176.600 -0.023 0.000 0.988 471 E CA 0.892 57.272 56.400 -0.033 0.000 0.834 471 E CB -0.037 29.644 29.700 -0.033 0.000 0.772 471 E HN 0.607 nan 8.360 nan 0.000 0.479 472 K N 0.867 121.251 120.400 -0.027 0.000 2.116 472 K HA -0.027 4.293 4.320 0.000 0.000 0.203 472 K C 1.994 178.594 176.600 -0.000 0.000 1.052 472 K CA 0.454 56.732 56.287 -0.014 0.000 0.952 472 K CB 0.165 32.654 32.500 -0.018 0.000 0.729 472 K HN 0.076 nan 8.250 nan 0.000 0.446 473 L N 0.164 121.390 121.223 0.004 0.000 2.156 473 L HA -0.067 4.274 4.340 0.000 0.000 0.208 473 L C 2.403 179.283 176.870 0.017 0.000 1.095 473 L CA 0.886 55.741 54.840 0.025 0.000 0.770 473 L CB -0.268 41.819 42.059 0.047 0.000 0.914 473 L HN 0.215 nan 8.230 nan 0.000 0.439 474 A N -0.031 122.792 122.820 0.006 0.000 1.929 474 A HA 0.185 4.505 4.320 0.000 0.000 0.216 474 A C 1.457 179.043 177.584 0.004 0.000 1.176 474 A CA 1.079 53.119 52.037 0.004 0.000 0.628 474 A CB -0.351 18.649 19.000 -0.001 0.000 0.816 474 A HN 0.330 nan 8.150 nan 0.000 0.444 475 A N 0.000 122.821 122.820 0.002 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.038 52.037 0.001 0.000 0.836 475 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486