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 1b5p_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPSATVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 R N 0.767 121.269 120.500 0.003 0.000 2.740 2 R HA 0.968 5.308 4.340 -0.000 0.000 0.223 2 R C -0.390 175.912 176.300 0.004 0.000 1.362 2 R CA -0.292 55.811 56.100 0.004 0.000 1.069 2 R CB 0.921 31.224 30.300 0.004 0.000 1.739 2 R HN 1.255 nan 8.270 nan 0.000 0.533 3 G N 0.292 109.095 108.800 0.005 0.000 2.770 3 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 3 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 3 G C -0.875 174.029 174.900 0.007 0.000 1.180 3 G CA -1.016 44.087 45.100 0.005 0.000 0.767 3 G HN 0.320 nan 8.290 nan 0.000 0.646 4 L N 1.300 122.528 121.223 0.009 0.000 2.464 4 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 4 L C 1.745 178.618 176.870 0.006 0.000 1.199 4 L CA -0.122 54.725 54.840 0.013 0.000 0.818 4 L CB 0.887 42.958 42.059 0.019 0.000 1.102 4 L HN 0.974 nan 8.230 nan 0.000 0.473 5 S N 0.989 116.693 115.700 0.006 0.000 2.608 5 S HA 0.202 4.672 4.470 -0.000 0.000 0.261 5 S C 0.964 175.551 174.600 -0.021 0.000 1.314 5 S CA -0.632 57.559 58.200 -0.015 0.000 0.992 5 S CB 0.932 64.115 63.200 -0.028 0.000 0.935 5 S HN 0.559 nan 8.310 nan 0.000 0.564 6 R N 1.063 121.539 120.500 -0.041 0.000 2.090 6 R HA -0.064 4.276 4.340 -0.000 0.000 0.228 6 R C 2.608 178.876 176.300 -0.053 0.000 1.110 6 R CA 1.405 57.481 56.100 -0.040 0.000 0.973 6 R CB -0.460 29.811 30.300 -0.047 0.000 0.869 6 R HN 0.865 nan 8.270 nan 0.000 0.440 7 R N 0.418 120.851 120.500 -0.111 0.000 2.105 7 R HA -0.058 4.282 4.340 -0.000 0.000 0.239 7 R C 1.916 178.207 176.300 -0.015 0.000 1.135 7 R CA 1.438 57.430 56.100 -0.180 0.000 0.967 7 R CB -0.727 29.260 30.300 -0.522 0.000 0.861 7 R HN 0.003 nan 8.270 nan 0.000 0.442 8 V N 1.148 121.089 119.914 0.046 0.000 2.951 8 V HA -0.076 4.044 4.120 -0.000 0.000 0.255 8 V C 1.876 178.019 176.094 0.082 0.000 1.088 8 V CA 1.401 63.790 62.300 0.148 0.000 1.109 8 V CB -0.016 31.899 31.823 0.153 0.000 0.724 8 V HN 0.422 nan 8.190 nan 0.000 0.471 9 Q N -0.539 119.285 119.800 0.040 0.000 2.398 9 Q HA 0.135 4.475 4.340 -0.000 0.000 0.204 9 Q C 2.016 178.029 176.000 0.021 0.000 0.932 9 Q CA 0.936 56.754 55.803 0.024 0.000 0.916 9 Q CB -0.015 28.730 28.738 0.010 0.000 1.024 9 Q HN 0.625 nan 8.270 nan 0.000 0.504 10 A N 0.324 123.158 122.820 0.024 0.000 2.238 10 A HA 0.090 4.410 4.320 -0.000 0.000 0.208 10 A C 0.796 178.398 177.584 0.030 0.000 1.177 10 A CA -0.009 52.039 52.037 0.018 0.000 0.804 10 A CB -0.166 18.836 19.000 0.004 0.000 0.823 10 A HN 0.230 nan 8.150 nan 0.000 0.482 11 M N 1.471 121.099 119.600 0.046 0.000 2.227 11 M HA 0.093 4.573 4.480 -0.000 0.000 0.349 11 M C 0.549 176.855 176.300 0.010 0.000 1.443 11 M CA 0.292 55.614 55.300 0.036 0.000 1.110 11 M CB 0.552 33.180 32.600 0.046 0.000 1.773 11 M HN 0.186 nan 8.290 nan 0.000 0.463 12 K N 5.879 126.279 120.400 -0.001 0.000 2.295 12 K HA 0.323 4.643 4.320 -0.000 0.000 0.270 12 K C -2.241 174.348 176.600 -0.018 0.000 1.011 12 K CA -1.120 55.164 56.287 -0.005 0.000 0.953 12 K CB 0.605 33.104 32.500 -0.002 0.000 0.956 12 K HN 0.426 nan 8.250 nan 0.000 0.477 13 P HA 0.060 nan 4.420 nan 0.000 0.293 13 P C -0.767 176.519 177.300 -0.023 0.000 1.313 13 P CA -0.440 62.650 63.100 -0.017 0.000 0.787 13 P CB 1.286 32.982 31.700 -0.006 0.000 0.910 14 S N 2.459 118.134 115.700 -0.042 0.000 2.549 14 S HA 0.299 4.769 4.470 -0.000 0.000 0.283 14 S C 1.477 176.060 174.600 -0.029 0.000 1.320 14 S CA 0.054 58.220 58.200 -0.056 0.000 1.058 14 S CB 0.422 63.569 63.200 -0.089 0.000 0.882 14 S HN 0.520 nan 8.310 nan 0.000 0.498 15 A N 4.627 127.435 122.820 -0.020 0.000 1.968 15 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 15 A C 2.209 179.796 177.584 0.005 0.000 1.169 15 A CA 1.753 53.794 52.037 0.007 0.000 0.638 15 A CB -1.441 17.578 19.000 0.032 0.000 0.812 15 A HN 0.874 nan 8.150 nan 0.000 0.446 16 T N -0.135 114.411 114.554 -0.013 0.000 2.635 16 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 16 T C 1.857 176.558 174.700 0.000 0.000 1.040 16 T CA 1.713 63.812 62.100 -0.001 0.000 1.156 16 T CB -0.600 68.251 68.868 -0.027 0.000 0.863 16 T HN 0.130 nan 8.240 nan 0.000 0.430 17 V N 1.550 121.454 119.914 -0.016 0.000 2.252 17 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 17 V C 2.843 178.938 176.094 0.001 0.000 1.056 17 V CA 2.063 64.357 62.300 -0.011 0.000 1.022 17 V CB -1.154 30.656 31.823 -0.021 0.000 0.641 17 V HN 0.595 nan 8.190 nan 0.000 0.445 18 A N -1.100 121.722 122.820 0.003 0.000 2.019 18 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 18 A C 2.284 179.877 177.584 0.015 0.000 1.164 18 A CA 1.967 54.010 52.037 0.009 0.000 0.644 18 A CB -0.466 18.540 19.000 0.009 0.000 0.805 18 A HN 0.391 nan 8.150 nan 0.000 0.449 19 V N 0.594 120.520 119.914 0.020 0.000 2.488 19 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 19 V C 2.378 178.488 176.094 0.027 0.000 1.046 19 V CA 1.893 64.209 62.300 0.026 0.000 1.053 19 V CB -0.877 30.967 31.823 0.035 0.000 0.679 19 V HN 0.735 nan 8.190 nan 0.000 0.458 20 N N 1.267 119.982 118.700 0.024 0.000 2.223 20 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 20 N C 1.691 177.212 175.510 0.020 0.000 1.016 20 N CA 1.791 54.856 53.050 0.025 0.000 0.863 20 N CB -0.209 38.291 38.487 0.022 0.000 0.983 20 N HN 0.410 nan 8.380 nan 0.000 0.429 21 A N 0.525 123.354 122.820 0.015 0.000 1.898 21 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 21 A C 2.159 179.752 177.584 0.014 0.000 1.181 21 A CA 1.472 53.516 52.037 0.012 0.000 0.620 21 A CB -0.643 18.362 19.000 0.009 0.000 0.819 21 A HN 0.428 nan 8.150 nan 0.000 0.442 22 K N -0.233 120.177 120.400 0.016 0.000 2.211 22 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 22 K C 1.983 178.595 176.600 0.020 0.000 1.050 22 K CA 1.000 57.297 56.287 0.017 0.000 0.945 22 K CB -0.261 32.250 32.500 0.019 0.000 0.732 22 K HN 0.369 nan 8.250 nan 0.000 0.451 23 A N 1.005 123.839 122.820 0.023 0.000 1.969 23 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 23 A C 1.967 179.565 177.584 0.022 0.000 1.169 23 A CA 0.983 53.036 52.037 0.026 0.000 0.635 23 A CB -0.358 18.661 19.000 0.032 0.000 0.810 23 A HN 0.295 nan 8.150 nan 0.000 0.445 24 L N -0.562 120.672 121.223 0.019 0.000 2.156 24 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 24 L C 2.464 179.342 176.870 0.013 0.000 1.095 24 L CA 1.413 56.263 54.840 0.015 0.000 0.770 24 L CB -0.496 41.571 42.059 0.013 0.000 0.914 24 L HN 0.487 nan 8.230 nan 0.000 0.439 25 E N 0.499 120.707 120.200 0.013 0.000 2.046 25 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 25 E C 2.239 178.847 176.600 0.013 0.000 0.982 25 E CA 0.903 57.310 56.400 0.012 0.000 0.800 25 E CB -0.402 29.304 29.700 0.011 0.000 0.756 25 E HN 0.315 nan 8.360 nan 0.000 0.449 26 L N 0.820 122.052 121.223 0.015 0.000 2.051 26 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 26 L C 2.696 179.575 176.870 0.015 0.000 1.076 26 L CA 1.586 56.435 54.840 0.016 0.000 0.758 26 L CB -0.531 41.541 42.059 0.021 0.000 0.890 26 L HN 0.150 nan 8.230 nan 0.000 0.433 27 R N -0.427 120.082 120.500 0.015 0.000 2.092 27 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 27 R C 2.430 178.736 176.300 0.011 0.000 1.119 27 R CA 1.042 57.150 56.100 0.014 0.000 0.970 27 R CB -0.253 30.055 30.300 0.014 0.000 0.864 27 R HN 0.361 nan 8.270 nan 0.000 0.440 28 R N 1.117 121.623 120.500 0.010 0.000 2.081 28 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 28 R C 1.833 178.138 176.300 0.008 0.000 1.131 28 R CA 1.547 57.652 56.100 0.008 0.000 0.960 28 R CB -0.082 30.223 30.300 0.008 0.000 0.856 28 R HN 0.426 nan 8.270 nan 0.000 0.436 29 Q N -0.257 119.549 119.800 0.009 0.000 2.291 29 Q HA 0.128 4.468 4.340 -0.000 0.000 0.211 29 Q C 0.539 176.544 176.000 0.008 0.000 0.925 29 Q CA 0.563 56.371 55.803 0.008 0.000 0.949 29 Q CB 0.556 29.299 28.738 0.009 0.000 1.015 29 Q HN 0.390 nan 8.270 nan 0.000 0.477 30 G N 0.423 109.228 108.800 0.008 0.000 2.168 30 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.263 30 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.263 30 G C 0.201 175.107 174.900 0.009 0.000 0.977 30 G CA 0.166 45.271 45.100 0.008 0.000 0.659 30 G HN 0.336 nan 8.290 nan 0.000 0.533 31 V N 0.876 120.797 119.914 0.011 0.000 2.521 31 V HA 0.307 4.427 4.120 -0.000 0.000 0.286 31 V C 0.735 176.838 176.094 0.014 0.000 1.034 31 V CA 0.188 62.496 62.300 0.014 0.000 1.045 31 V CB 1.323 33.156 31.823 0.017 0.000 0.974 31 V HN 0.440 nan 8.190 nan 0.000 0.480 32 D N 5.189 125.597 120.400 0.013 0.000 2.339 32 D HA 0.345 4.985 4.640 -0.000 0.000 0.256 32 D C -0.474 175.836 176.300 0.017 0.000 1.214 32 D CA -0.001 54.006 54.000 0.012 0.000 0.877 32 D CB 0.405 41.210 40.800 0.008 0.000 1.111 32 D HN 0.447 nan 8.370 nan 0.000 0.478 33 L N 3.861 125.095 121.223 0.019 0.000 2.329 33 L HA 0.474 4.814 4.340 -0.000 0.000 0.279 33 L C -0.528 176.355 176.870 0.022 0.000 1.014 33 L CA -1.331 53.524 54.840 0.026 0.000 0.814 33 L CB 2.011 44.088 42.059 0.031 0.000 1.257 33 L HN 0.199 nan 8.230 nan 0.000 0.424 34 V N 2.628 122.558 119.914 0.026 0.000 2.350 34 V HA 0.461 4.581 4.120 -0.000 0.000 0.276 34 V C 0.374 176.490 176.094 0.036 0.000 1.028 34 V CA -0.483 61.827 62.300 0.016 0.000 0.860 34 V CB 1.436 33.258 31.823 -0.003 0.000 0.990 34 V HN 0.836 nan 8.190 nan 0.000 0.453 35 A N 6.385 129.224 122.820 0.032 0.000 2.260 35 A HA 0.732 5.052 4.320 -0.000 0.000 0.308 35 A C -0.011 177.605 177.584 0.053 0.000 1.254 35 A CA -0.329 51.737 52.037 0.047 0.000 0.874 35 A CB 0.285 19.309 19.000 0.040 0.000 1.153 35 A HN 0.870 nan 8.150 nan 0.000 0.527 36 L N 3.292 124.566 121.223 0.084 0.000 3.154 36 L HA 0.158 4.498 4.340 -0.000 0.000 0.266 36 L C 1.298 178.243 176.870 0.125 0.000 1.300 36 L CA 0.276 55.178 54.840 0.103 0.000 1.028 36 L CB 0.137 42.279 42.059 0.138 0.000 1.412 36 L HN 0.928 nan 8.230 nan 0.000 0.564 37 T N -3.975 110.646 114.554 0.111 0.000 3.022 37 T HA 0.263 4.613 4.350 -0.000 0.000 0.250 37 T C 1.037 175.835 174.700 0.163 0.000 1.060 37 T CA 0.147 62.327 62.100 0.133 0.000 1.013 37 T CB 0.373 69.305 68.868 0.108 0.000 0.982 37 T HN 0.213 nan 8.240 nan 0.000 0.508 38 A N 1.046 123.943 122.820 0.129 0.000 2.584 38 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 38 A C 1.351 179.109 177.584 0.292 0.000 1.043 38 A CA 0.250 52.366 52.037 0.133 0.000 0.756 38 A CB -0.318 18.686 19.000 0.006 0.000 0.963 38 A HN 0.609 nan 8.150 nan 0.000 0.511 39 G N 1.564 110.560 108.800 0.328 0.000 3.690 39 G HA2 0.456 4.416 3.960 -0.000 0.000 0.283 39 G HA3 0.456 4.416 3.960 -0.000 0.000 0.283 39 G C 0.078 175.283 174.900 0.507 0.000 1.057 39 G CA 0.391 45.812 45.100 0.535 0.000 0.821 39 G HN 0.948 nan 8.290 nan 0.000 0.526 40 E N -0.021 120.359 120.200 0.301 0.000 2.390 40 E HA 0.462 4.812 4.350 -0.000 0.000 0.277 40 E C -3.225 173.335 176.600 -0.066 0.000 0.939 40 E CA -2.243 54.297 56.400 0.233 0.000 0.769 40 E CB 1.648 31.460 29.700 0.187 0.000 1.251 40 E HN -0.149 nan 8.360 nan 0.000 0.450 41 P HA -0.016 nan 4.420 nan 0.000 0.267 41 P C 0.059 177.357 177.300 -0.003 0.000 1.200 41 P CA 0.079 63.189 63.100 0.017 0.000 0.772 41 P CB 0.520 32.466 31.700 0.409 0.000 0.855 42 D N 1.393 121.714 120.400 -0.131 0.000 2.289 42 D HA -0.056 4.584 4.640 -0.000 0.000 0.207 42 D C 0.399 176.612 176.300 -0.146 0.000 0.966 42 D CA 0.482 54.369 54.000 -0.189 0.000 0.868 42 D CB -0.319 40.303 40.800 -0.297 0.000 0.943 42 D HN 0.229 nan 8.370 nan 0.000 0.514 43 F N 1.701 121.731 119.950 0.135 0.000 2.490 43 F HA 0.203 4.730 4.527 -0.000 0.000 0.336 43 F C 1.243 177.164 175.800 0.201 0.000 1.178 43 F CA -0.438 57.677 58.000 0.191 0.000 1.301 43 F CB 0.273 39.469 39.000 0.326 0.000 1.175 43 F HN -0.236 nan 8.300 nan 0.000 0.593 44 D N -0.341 120.291 120.400 0.388 0.000 2.388 44 D HA 0.113 4.753 4.640 -0.000 0.000 0.254 44 D C -0.265 176.143 176.300 0.181 0.000 1.111 44 D CA -0.331 53.815 54.000 0.244 0.000 0.993 44 D CB 1.212 42.121 40.800 0.182 0.000 1.118 44 D HN 0.535 nan 8.370 nan 0.000 0.502 45 T N 0.725 115.349 114.554 0.115 0.000 2.916 45 T HA 0.265 4.615 4.350 -0.000 0.000 0.303 45 T C -2.233 172.358 174.700 -0.182 0.000 1.025 45 T CA -1.218 60.831 62.100 -0.084 0.000 1.142 45 T CB 0.715 69.580 68.868 -0.004 0.000 0.947 45 T HN 0.188 nan 8.240 nan 0.000 0.544 46 P HA 0.076 nan 4.420 nan 0.000 0.264 46 P C 0.874 178.086 177.300 -0.147 0.000 1.183 46 P CA -0.071 62.866 63.100 -0.272 0.000 0.763 46 P CB 0.616 32.105 31.700 -0.352 0.000 0.807 47 E N 2.168 122.376 120.200 0.014 0.000 2.171 47 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 47 E C 1.775 178.389 176.600 0.024 0.000 0.997 47 E CA 1.757 58.176 56.400 0.032 0.000 0.810 47 E CB -0.730 29.009 29.700 0.066 0.000 0.738 47 E HN 0.753 nan 8.360 nan 0.000 0.467 48 H N -1.372 117.650 119.070 -0.079 0.000 2.423 48 H HA 0.005 4.561 4.556 -0.000 0.000 0.297 48 H C 2.017 177.276 175.328 -0.115 0.000 1.075 48 H CA 1.175 57.170 56.048 -0.088 0.000 1.342 48 H CB -0.280 29.422 29.762 -0.101 0.000 1.395 48 H HN -0.071 nan 8.280 nan 0.000 0.530 49 V N 1.142 120.672 119.914 -0.641 0.000 2.407 49 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 49 V C 2.339 178.286 176.094 -0.244 0.000 1.041 49 V CA 1.763 63.722 62.300 -0.568 0.000 1.040 49 V CB -0.364 30.963 31.823 -0.826 0.000 0.671 49 V HN 0.370 nan 8.190 nan 0.000 0.455 50 K N -0.064 120.274 120.400 -0.102 0.000 2.032 50 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 50 K C 2.227 178.878 176.600 0.085 0.000 1.048 50 K CA 1.796 58.153 56.287 0.117 0.000 0.927 50 K CB -0.184 32.386 32.500 0.116 0.000 0.712 50 K HN 0.292 nan 8.250 nan 0.000 0.441 51 E N 0.857 121.075 120.200 0.029 0.000 2.110 51 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 51 E C 1.720 178.337 176.600 0.029 0.000 0.988 51 E CA 1.445 57.864 56.400 0.031 0.000 0.804 51 E CB -0.176 29.541 29.700 0.028 0.000 0.745 51 E HN 0.312 nan 8.360 nan 0.000 0.458 52 A N 0.453 123.280 122.820 0.013 0.000 1.933 52 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 52 A C 2.380 180.010 177.584 0.076 0.000 1.175 52 A CA 1.910 53.966 52.037 0.031 0.000 0.628 52 A CB -0.811 18.193 19.000 0.007 0.000 0.814 52 A HN 0.341 nan 8.150 nan 0.000 0.444 53 A N -0.017 122.876 122.820 0.122 0.000 1.902 53 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 53 A C 2.228 179.871 177.584 0.099 0.000 1.181 53 A CA 1.455 53.606 52.037 0.191 0.000 0.623 53 A CB -0.448 18.769 19.000 0.361 0.000 0.818 53 A HN 0.557 nan 8.150 nan 0.000 0.443 54 R N -0.704 119.838 120.500 0.071 0.000 2.081 54 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 54 R C 2.453 178.753 176.300 0.001 0.000 1.131 54 R CA 1.514 57.633 56.100 0.030 0.000 0.960 54 R CB -0.298 30.018 30.300 0.026 0.000 0.856 54 R HN 0.478 nan 8.270 nan 0.000 0.436 55 R N 0.266 120.763 120.500 -0.006 0.000 2.075 55 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 55 R C 2.368 178.614 176.300 -0.090 0.000 1.126 55 R CA 1.294 57.366 56.100 -0.046 0.000 0.963 55 R CB -0.339 29.932 30.300 -0.048 0.000 0.858 55 R HN 0.205 nan 8.270 nan 0.000 0.435 56 A N 1.294 124.065 122.820 -0.082 0.000 1.933 56 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 56 A C 2.175 179.699 177.584 -0.099 0.000 1.175 56 A CA 1.117 53.064 52.037 -0.151 0.000 0.628 56 A CB -0.505 18.468 19.000 -0.044 0.000 0.814 56 A HN 0.169 nan 8.150 nan 0.000 0.444 57 L N -0.872 120.328 121.223 -0.039 0.000 1.994 57 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 57 L C 3.113 179.953 176.870 -0.050 0.000 1.071 57 L CA 1.259 56.080 54.840 -0.032 0.000 0.745 57 L CB -0.578 41.472 42.059 -0.015 0.000 0.892 57 L HN 0.437 nan 8.230 nan 0.000 0.431 58 A N -0.835 121.954 122.820 -0.050 0.000 2.019 58 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 58 A C 2.002 179.543 177.584 -0.072 0.000 1.164 58 A CA 1.362 53.368 52.037 -0.053 0.000 0.644 58 A CB -0.379 18.595 19.000 -0.045 0.000 0.805 58 A HN 0.555 nan 8.150 nan 0.000 0.449 59 Q N -1.383 118.355 119.800 -0.104 0.000 2.320 59 Q HA 0.278 4.618 4.340 -0.000 0.000 0.201 59 Q C 0.920 176.845 176.000 -0.126 0.000 0.910 59 Q CA 0.208 55.932 55.803 -0.132 0.000 0.946 59 Q CB 0.120 28.736 28.738 -0.202 0.000 1.062 59 Q HN 0.804 nan 8.270 nan 0.000 0.503 60 G N 2.171 110.913 108.800 -0.096 0.000 2.249 60 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.273 60 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.273 60 G C -0.109 174.745 174.900 -0.077 0.000 1.036 60 G CA 0.176 45.231 45.100 -0.074 0.000 0.824 60 G HN 0.268 nan 8.290 nan 0.000 0.504 61 K N 0.985 121.319 120.400 -0.110 0.000 2.278 61 K HA 0.320 4.640 4.320 -0.000 0.000 0.237 61 K C 1.311 177.920 176.600 0.015 0.000 1.229 61 K CA 0.593 56.831 56.287 -0.082 0.000 1.155 61 K CB -0.033 32.305 32.500 -0.270 0.000 1.590 61 K HN 0.420 nan 8.250 nan 0.000 0.290 62 T N -2.257 112.299 114.554 0.003 0.000 3.200 62 T HA 0.191 4.541 4.350 -0.000 0.000 0.284 62 T C 0.329 175.011 174.700 -0.031 0.000 1.009 62 T CA -0.666 61.432 62.100 -0.003 0.000 0.907 62 T CB 0.331 69.181 68.868 -0.029 0.000 1.120 62 T HN -0.023 nan 8.240 nan 0.000 0.534 63 K N 0.891 121.292 120.400 0.001 0.000 2.210 63 K HA 0.453 4.773 4.320 -0.000 0.000 0.236 63 K C -0.605 176.022 176.600 0.044 0.000 1.016 63 K CA -0.885 55.384 56.287 -0.030 0.000 0.913 63 K CB 0.682 33.200 32.500 0.030 0.000 1.141 63 K HN 0.134 nan 8.250 nan 0.000 0.462 64 Y N 0.384 120.717 120.300 0.055 0.000 2.702 64 Y HA 0.108 4.658 4.550 -0.000 0.000 0.336 64 Y C 0.871 176.810 175.900 0.065 0.000 1.235 64 Y CA 0.222 58.354 58.100 0.054 0.000 1.492 64 Y CB 0.237 38.722 38.460 0.041 0.000 1.308 64 Y HN 0.552 nan 8.280 nan 0.000 0.589 65 A N 4.573 127.541 122.820 0.247 0.000 2.322 65 A HA 0.755 5.075 4.320 -0.000 0.000 0.327 65 A C -2.622 175.019 177.584 0.096 0.000 1.134 65 A CA -2.125 50.000 52.037 0.147 0.000 0.831 65 A CB 0.552 19.619 19.000 0.112 0.000 1.288 65 A HN 0.520 nan 8.150 nan 0.000 0.472 66 P HA 0.207 nan 4.420 nan 0.000 0.269 66 P C -2.037 175.276 177.300 0.021 0.000 1.215 66 P CA -0.930 62.186 63.100 0.027 0.000 0.780 66 P CB 0.167 31.878 31.700 0.018 0.000 0.898 67 P HA -0.193 nan 4.420 nan 0.000 0.216 67 P C 0.946 178.258 177.300 0.019 0.000 1.150 67 P CA 1.821 64.927 63.100 0.011 0.000 0.843 67 P CB -0.238 31.462 31.700 0.000 0.000 0.787 68 A N -1.488 121.339 122.820 0.013 0.000 2.208 68 A HA 0.486 4.806 4.320 -0.000 0.000 0.209 68 A C 1.043 178.635 177.584 0.013 0.000 1.161 68 A CA 0.846 52.892 52.037 0.015 0.000 0.782 68 A CB -0.802 18.202 19.000 0.008 0.000 0.816 68 A HN 0.328 nan 8.150 nan 0.000 0.477 69 G N -0.503 108.300 108.800 0.005 0.000 2.539 69 G HA2 0.122 4.082 3.960 -0.000 0.000 0.686 69 G HA3 0.122 4.082 3.960 -0.000 0.000 0.686 69 G C -0.198 174.672 174.900 -0.050 0.000 1.258 69 G CA -0.574 44.515 45.100 -0.018 0.000 0.846 69 G HN 1.237 nan 8.290 nan 0.000 0.647 70 I N -0.185 120.321 120.570 -0.106 0.000 2.775 70 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 70 I C -0.368 175.661 176.117 -0.146 0.000 1.203 70 I CA -1.084 60.129 61.300 -0.145 0.000 1.433 70 I CB 0.646 38.451 38.000 -0.325 0.000 1.354 70 I HN 0.373 nan 8.210 nan 0.000 0.579 71 P HA -0.188 nan 4.420 nan 0.000 0.217 71 P C 1.045 178.285 177.300 -0.100 0.000 1.148 71 P CA 1.612 64.671 63.100 -0.068 0.000 0.828 71 P CB 0.205 31.891 31.700 -0.024 0.000 0.783 72 E N -0.164 119.945 120.200 -0.152 0.000 2.106 72 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 72 E C 2.227 178.703 176.600 -0.208 0.000 0.984 72 E CA 0.626 56.928 56.400 -0.164 0.000 0.806 72 E CB -0.913 28.667 29.700 -0.201 0.000 0.750 72 E HN 0.200 nan 8.360 nan 0.000 0.458 73 L N 0.382 121.435 121.223 -0.283 0.000 2.109 73 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 73 L C 2.172 178.935 176.870 -0.178 0.000 1.086 73 L CA 1.117 55.803 54.840 -0.256 0.000 0.760 73 L CB -0.037 41.855 42.059 -0.278 0.000 0.910 73 L HN 0.115 nan 8.230 nan 0.000 0.437 74 R N -0.281 120.142 120.500 -0.127 0.000 2.092 74 R HA -0.171 4.169 4.340 -0.000 0.000 0.231 74 R C 1.999 178.262 176.300 -0.061 0.000 1.119 74 R CA 1.325 57.383 56.100 -0.071 0.000 0.970 74 R CB -0.144 30.132 30.300 -0.041 0.000 0.864 74 R HN 0.482 nan 8.270 nan 0.000 0.440 75 E N 0.581 120.737 120.200 -0.072 0.000 2.047 75 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 75 E C 2.071 178.626 176.600 -0.076 0.000 0.987 75 E CA 1.085 57.452 56.400 -0.056 0.000 0.799 75 E CB -0.093 29.578 29.700 -0.049 0.000 0.752 75 E HN 0.337 nan 8.360 nan 0.000 0.449 76 A N 1.041 123.792 122.820 -0.116 0.000 1.933 76 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 76 A C 2.079 179.545 177.584 -0.196 0.000 1.175 76 A CA 0.979 52.928 52.037 -0.147 0.000 0.628 76 A CB -0.355 18.540 19.000 -0.176 0.000 0.814 76 A HN 0.113 nan 8.150 nan 0.000 0.444 77 L N -0.500 120.592 121.223 -0.218 0.000 2.056 77 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 77 L C 2.922 179.741 176.870 -0.086 0.000 1.078 77 L CA 1.794 56.461 54.840 -0.290 0.000 0.749 77 L CB -1.233 40.719 42.059 -0.178 0.000 0.901 77 L HN 0.404 nan 8.230 nan 0.000 0.433 78 A N -1.152 121.680 122.820 0.020 0.000 1.933 78 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 78 A C 2.174 179.784 177.584 0.044 0.000 1.175 78 A CA 1.399 53.490 52.037 0.089 0.000 0.628 78 A CB -0.316 18.709 19.000 0.042 0.000 0.814 78 A HN 0.386 nan 8.150 nan 0.000 0.444 79 E N 0.025 120.208 120.200 -0.028 0.000 2.047 79 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 79 E C 2.024 178.591 176.600 -0.056 0.000 0.987 79 E CA 1.174 57.552 56.400 -0.037 0.000 0.799 79 E CB -0.352 29.314 29.700 -0.056 0.000 0.752 79 E HN 0.608 nan 8.360 nan 0.000 0.449 80 K N 0.522 120.832 120.400 -0.150 0.000 2.026 80 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 80 K C 2.082 178.584 176.600 -0.162 0.000 1.048 80 K CA 0.999 57.158 56.287 -0.212 0.000 0.929 80 K CB -0.381 31.877 32.500 -0.403 0.000 0.713 80 K HN 0.030 nan 8.250 nan 0.000 0.439 81 F N 1.337 121.270 119.950 -0.028 0.000 2.171 81 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 81 F C 2.821 178.612 175.800 -0.015 0.000 1.090 81 F CA 1.288 59.279 58.000 -0.015 0.000 1.293 81 F CB -0.471 38.517 39.000 -0.020 0.000 1.013 81 F HN 0.109 nan 8.300 nan 0.000 0.486 82 R N 0.319 120.908 120.500 0.149 0.000 2.055 82 R HA -0.105 4.235 4.340 -0.000 0.000 0.228 82 R C 2.558 178.890 176.300 0.053 0.000 1.143 82 R CA 1.250 57.398 56.100 0.081 0.000 0.945 82 R CB -0.251 30.081 30.300 0.053 0.000 0.841 82 R HN 0.142 nan 8.270 nan 0.000 0.429 83 R N 0.632 121.153 120.500 0.035 0.000 2.073 83 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 83 R C 1.554 177.878 176.300 0.040 0.000 1.134 83 R CA 2.072 58.188 56.100 0.026 0.000 0.952 83 R CB -0.065 30.241 30.300 0.009 0.000 0.850 83 R HN 0.369 nan 8.270 nan 0.000 0.433 84 E N -0.718 119.509 120.200 0.045 0.000 2.250 84 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 84 E C 0.810 177.459 176.600 0.081 0.000 0.986 84 E CA 0.917 57.358 56.400 0.069 0.000 0.849 84 E CB 0.220 29.967 29.700 0.078 0.000 0.797 84 E HN 0.549 nan 8.360 nan 0.000 0.482 85 N N -0.688 118.067 118.700 0.092 0.000 2.171 85 N HA 0.123 4.862 4.740 -0.000 0.000 0.212 85 N C 0.539 176.057 175.510 0.014 0.000 1.184 85 N CA 0.318 53.418 53.050 0.083 0.000 0.888 85 N CB 1.710 40.297 38.487 0.166 0.000 1.038 85 N HN 0.121 nan 8.380 nan 0.000 0.517 86 G N 1.003 109.819 108.800 0.027 0.000 2.225 86 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.267 86 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.267 86 G C -0.455 174.436 174.900 -0.014 0.000 1.024 86 G CA 0.007 45.106 45.100 -0.000 0.000 0.784 86 G HN 0.112 nan 8.290 nan 0.000 0.507 87 L N 1.123 122.357 121.223 0.018 0.000 2.276 87 L HA 0.556 4.896 4.340 -0.000 0.000 0.286 87 L C 0.841 177.720 176.870 0.015 0.000 1.061 87 L CA -0.267 54.572 54.840 -0.002 0.000 0.807 87 L CB 1.728 43.786 42.059 -0.001 0.000 1.177 87 L HN 0.079 nan 8.230 nan 0.000 0.429 88 S N 3.143 118.839 115.700 -0.006 0.000 3.363 88 S HA 0.435 4.905 4.470 -0.000 0.000 0.267 88 S C -0.134 174.463 174.600 -0.005 0.000 1.288 88 S CA -0.540 57.661 58.200 0.002 0.000 0.948 88 S CB -0.174 63.025 63.200 -0.001 0.000 1.397 88 S HN 0.418 nan 8.310 nan 0.000 0.493 89 V N 0.697 120.616 119.914 0.008 0.000 2.864 89 V HA 0.878 4.998 4.120 -0.000 0.000 0.314 89 V C 0.164 176.268 176.094 0.017 0.000 1.073 89 V CA -1.000 61.299 62.300 -0.003 0.000 0.956 89 V CB 1.570 33.374 31.823 -0.031 0.000 1.023 89 V HN 0.548 nan 8.190 nan 0.000 0.435 90 T N -0.044 114.514 114.554 0.006 0.000 2.936 90 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 90 T C -1.971 172.738 174.700 0.014 0.000 1.003 90 T CA -1.897 60.208 62.100 0.009 0.000 1.005 90 T CB 1.494 70.363 68.868 0.001 0.000 1.097 90 T HN 0.505 nan 8.240 nan 0.000 0.532 91 P HA -0.023 nan 4.420 nan 0.000 0.219 91 P C 0.898 178.201 177.300 0.005 0.000 1.146 91 P CA 0.879 63.984 63.100 0.008 0.000 0.808 91 P CB 0.013 31.711 31.700 -0.003 0.000 0.779 92 E N -0.615 119.585 120.200 -0.000 0.000 2.482 92 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 92 E C 0.817 177.412 176.600 -0.009 0.000 1.047 92 E CA 0.637 57.034 56.400 -0.004 0.000 0.869 92 E CB -0.538 29.159 29.700 -0.006 0.000 0.836 92 E HN 0.423 nan 8.360 nan 0.000 0.520 93 E N -0.164 120.029 120.200 -0.012 0.000 2.423 93 E HA 0.146 4.496 4.350 -0.000 0.000 0.198 93 E C -0.445 176.133 176.600 -0.037 0.000 1.038 93 E CA -0.003 56.378 56.400 -0.032 0.000 1.011 93 E CB 0.785 30.459 29.700 -0.043 0.000 1.118 93 E HN -0.104 nan 8.360 nan 0.000 0.451 94 T N 0.772 115.327 114.554 0.002 0.000 2.900 94 T HA 0.599 4.949 4.350 -0.000 0.000 0.295 94 T C -1.244 173.486 174.700 0.049 0.000 1.044 94 T CA -0.488 61.642 62.100 0.051 0.000 0.995 94 T CB 1.510 70.436 68.868 0.097 0.000 1.072 94 T HN 0.090 nan 8.240 nan 0.000 0.473 95 I N 2.601 123.222 120.570 0.085 0.000 2.752 95 I HA 0.634 4.804 4.170 -0.000 0.000 0.295 95 I C -1.471 174.720 176.117 0.123 0.000 1.219 95 I CA -0.865 60.478 61.300 0.071 0.000 1.030 95 I CB 1.765 39.788 38.000 0.038 0.000 1.259 95 I HN 0.345 nan 8.210 nan 0.000 0.423 96 V N 5.523 125.495 119.914 0.096 0.000 2.427 96 V HA 0.616 4.736 4.120 -0.000 0.000 0.286 96 V C 0.278 176.429 176.094 0.096 0.000 1.034 96 V CA -0.187 62.189 62.300 0.126 0.000 0.893 96 V CB 1.478 33.348 31.823 0.078 0.000 0.982 96 V HN 0.870 nan 8.190 nan 0.000 0.452 97 T N 0.619 115.232 114.554 0.099 0.000 2.864 97 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 97 T C -0.480 174.258 174.700 0.063 0.000 1.082 97 T CA -0.769 61.374 62.100 0.072 0.000 1.009 97 T CB 1.702 70.609 68.868 0.065 0.000 1.234 97 T HN 0.175 nan 8.240 nan 0.000 0.526 98 V N 2.091 122.038 119.914 0.055 0.000 2.229 98 V HA 0.558 4.678 4.120 -0.000 0.000 0.245 98 V C 1.248 177.368 176.094 0.042 0.000 1.243 98 V CA 0.754 63.084 62.300 0.050 0.000 1.176 98 V CB -1.088 30.756 31.823 0.035 0.000 1.323 98 V HN 1.490 nan 8.190 nan 0.000 0.499 99 G N 3.641 112.462 108.800 0.036 0.000 2.733 99 G HA2 0.004 3.963 3.960 -0.000 0.000 0.686 99 G HA3 0.004 3.963 3.960 -0.000 0.000 0.686 99 G C 0.740 175.639 174.900 -0.001 0.000 1.373 99 G CA -0.337 44.772 45.100 0.016 0.000 0.838 99 G HN 0.950 nan 8.290 nan 0.000 0.588 100 G N -0.106 108.666 108.800 -0.047 0.000 2.470 100 G HA2 0.119 4.079 3.960 -0.000 0.000 0.220 100 G HA3 0.119 4.079 3.960 -0.000 0.000 0.220 100 G C 2.249 177.192 174.900 0.072 0.000 1.121 100 G CA 2.106 47.179 45.100 -0.046 0.000 0.766 100 G HN 2.107 nan 8.290 nan 0.000 0.553 101 S N -0.017 115.766 115.700 0.139 0.000 2.382 101 S HA -0.200 4.269 4.470 -0.000 0.000 0.228 101 S C 2.164 176.879 174.600 0.192 0.000 1.027 101 S CA 1.594 59.945 58.200 0.251 0.000 0.991 101 S CB -0.405 62.947 63.200 0.254 0.000 0.823 101 S HN 0.501 nan 8.310 nan 0.000 0.469 102 Q N 1.020 120.891 119.800 0.118 0.000 2.230 102 Q HA 0.055 4.395 4.340 -0.000 0.000 0.202 102 Q C 2.246 178.338 176.000 0.153 0.000 0.963 102 Q CA 0.984 56.866 55.803 0.131 0.000 0.866 102 Q CB -0.466 28.314 28.738 0.070 0.000 0.931 102 Q HN 0.732 nan 8.270 nan 0.000 0.452 103 A N 0.770 123.645 122.820 0.092 0.000 1.902 103 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 103 A C 1.991 179.576 177.584 0.001 0.000 1.181 103 A CA 1.053 53.115 52.037 0.041 0.000 0.623 103 A CB -0.591 18.420 19.000 0.018 0.000 0.818 103 A HN 0.421 nan 8.150 nan 0.000 0.443 104 L N -2.260 118.997 121.223 0.056 0.000 2.056 104 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 104 L C 2.455 179.328 176.870 0.005 0.000 1.078 104 L CA 1.527 56.356 54.840 -0.019 0.000 0.749 104 L CB -0.519 41.692 42.059 0.253 0.000 0.901 104 L HN 0.508 nan 8.230 nan 0.000 0.433 105 F N 1.338 121.337 119.950 0.081 0.000 2.095 105 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 105 F C 2.314 178.163 175.800 0.082 0.000 1.104 105 F CA 1.795 59.877 58.000 0.137 0.000 1.232 105 F CB -0.237 38.809 39.000 0.077 0.000 0.987 105 F HN 0.100 nan 8.300 nan 0.000 0.475 106 N N 0.766 119.554 118.700 0.147 0.000 2.166 106 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 106 N C 2.025 177.466 175.510 -0.114 0.000 1.019 106 N CA 1.380 54.444 53.050 0.024 0.000 0.856 106 N CB -0.712 37.825 38.487 0.084 0.000 0.993 106 N HN 0.459 nan 8.380 nan 0.000 0.426 107 L N -0.543 120.561 121.223 -0.200 0.000 2.017 107 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 107 L C 1.585 178.268 176.870 -0.313 0.000 1.073 107 L CA 1.433 56.075 54.840 -0.330 0.000 0.745 107 L CB -0.227 41.533 42.059 -0.498 0.000 0.894 107 L HN -0.041 nan 8.230 nan 0.000 0.432 108 F N -0.054 119.825 119.950 -0.118 0.000 2.186 108 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 108 F C 2.761 178.464 175.800 -0.161 0.000 1.090 108 F CA 0.893 58.818 58.000 -0.126 0.000 1.307 108 F CB -0.876 38.058 39.000 -0.110 0.000 1.019 108 F HN 0.154 nan 8.300 nan 0.000 0.489 109 Q N -0.059 119.688 119.800 -0.088 0.000 2.170 109 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 109 Q C 2.446 178.410 176.000 -0.060 0.000 0.976 109 Q CA 1.441 57.165 55.803 -0.133 0.000 0.858 109 Q CB -0.740 27.848 28.738 -0.250 0.000 0.907 109 Q HN 0.429 nan 8.270 nan 0.000 0.433 110 A N 0.564 123.343 122.820 -0.068 0.000 2.072 110 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 110 A C 1.862 179.421 177.584 -0.041 0.000 1.156 110 A CA 0.849 52.851 52.037 -0.058 0.000 0.701 110 A CB -0.213 18.735 19.000 -0.087 0.000 0.816 110 A HN 0.450 nan 8.150 nan 0.000 0.458 111 I N -4.144 116.411 120.570 -0.024 0.000 4.181 111 I HA 0.384 4.554 4.170 -0.000 0.000 0.331 111 I C -0.315 175.859 176.117 0.094 0.000 1.312 111 I CA -0.208 61.111 61.300 0.033 0.000 1.146 111 I CB 0.231 38.219 38.000 -0.019 0.000 1.074 111 I HN -0.094 nan 8.210 nan 0.000 0.402 112 L N 2.870 124.141 121.223 0.081 0.000 2.282 112 L HA 0.534 4.874 4.340 -0.000 0.000 0.288 112 L C -0.849 176.034 176.870 0.023 0.000 1.033 112 L CA -0.392 54.486 54.840 0.063 0.000 0.807 112 L CB 1.039 43.132 42.059 0.056 0.000 1.209 112 L HN 0.072 nan 8.230 nan 0.000 0.423 113 D N 3.572 123.983 120.400 0.019 0.000 2.268 113 D HA 0.362 5.002 4.640 -0.000 0.000 0.249 113 D C -2.371 173.922 176.300 -0.013 0.000 1.008 113 D CA -1.511 52.490 54.000 0.002 0.000 0.939 113 D CB 1.832 42.638 40.800 0.009 0.000 1.170 113 D HN 0.175 nan 8.370 nan 0.000 0.468 114 P HA 0.124 nan 4.420 nan 0.000 0.265 114 P C 0.723 178.007 177.300 -0.027 0.000 1.193 114 P CA 0.686 63.765 63.100 -0.035 0.000 0.765 114 P CB 0.562 32.238 31.700 -0.039 0.000 0.823 115 G N 1.869 110.649 108.800 -0.033 0.000 2.217 115 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 115 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 115 G C 0.022 174.906 174.900 -0.027 0.000 0.990 115 G CA -0.307 44.775 45.100 -0.029 0.000 0.627 115 G HN 0.496 nan 8.290 nan 0.000 0.522 116 D N 1.616 122.003 120.400 -0.022 0.000 2.424 116 D HA 0.449 5.089 4.640 -0.000 0.000 0.244 116 D C 0.667 176.945 176.300 -0.037 0.000 1.134 116 D CA 0.376 54.368 54.000 -0.014 0.000 0.881 116 D CB 0.716 41.523 40.800 0.013 0.000 1.191 116 D HN 0.545 nan 8.370 nan 0.000 0.445 117 E N 0.370 120.542 120.200 -0.046 0.000 2.231 117 E HA 0.470 4.820 4.350 -0.000 0.000 0.277 117 E C -0.789 175.753 176.600 -0.098 0.000 0.999 117 E CA -0.813 55.541 56.400 -0.077 0.000 0.827 117 E CB 1.858 31.508 29.700 -0.084 0.000 1.101 117 E HN 0.058 nan 8.360 nan 0.000 0.393 118 V N 4.366 124.209 119.914 -0.118 0.000 2.483 118 V HA 0.312 4.431 4.120 -0.000 0.000 0.297 118 V C -0.243 175.772 176.094 -0.131 0.000 1.027 118 V CA -0.678 61.548 62.300 -0.124 0.000 0.855 118 V CB 1.347 33.080 31.823 -0.150 0.000 0.995 118 V HN 0.596 nan 8.190 nan 0.000 0.424 119 I N 5.075 125.561 120.570 -0.141 0.000 2.416 119 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 119 I C -0.290 175.797 176.117 -0.051 0.000 1.051 119 I CA -0.184 61.055 61.300 -0.102 0.000 1.375 119 I CB 1.300 39.223 38.000 -0.129 0.000 1.407 119 I HN 0.280 nan 8.210 nan 0.000 0.516 120 V N 7.355 127.261 119.914 -0.014 0.000 2.769 120 V HA 0.440 4.560 4.120 -0.000 0.000 0.312 120 V C -0.097 176.096 176.094 0.165 0.000 1.061 120 V CA -0.754 61.571 62.300 0.042 0.000 0.931 120 V CB 2.219 34.008 31.823 -0.057 0.000 1.010 120 V HN 0.449 nan 8.190 nan 0.000 0.433 121 L N 3.834 125.202 121.223 0.242 0.000 2.265 121 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 121 L C 0.422 177.491 176.870 0.331 0.000 1.033 121 L CA -0.188 54.802 54.840 0.249 0.000 0.814 121 L CB 1.597 43.782 42.059 0.210 0.000 1.203 121 L HN 0.786 nan 8.230 nan 0.000 0.423 122 S N 2.898 118.747 115.700 0.249 0.000 2.585 122 S HA 0.615 5.085 4.470 -0.000 0.000 0.277 122 S C -2.614 171.977 174.600 -0.014 0.000 1.241 122 S CA -1.642 56.587 58.200 0.049 0.000 1.041 122 S CB 1.328 64.484 63.200 -0.074 0.000 0.987 122 S HN 0.270 nan 8.310 nan 0.000 0.512 123 P HA 0.260 nan 4.420 nan 0.000 0.271 123 P C -1.069 176.153 177.300 -0.131 0.000 1.216 123 P CA -0.096 62.794 63.100 -0.350 0.000 0.771 123 P CB -0.019 31.381 31.700 -0.499 0.000 0.864 124 Y N 0.034 120.417 120.300 0.139 0.000 2.598 124 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 124 Y C -0.546 175.535 175.900 0.302 0.000 1.038 124 Y CA -2.211 56.047 58.100 0.262 0.000 1.100 124 Y CB 0.176 38.836 38.460 0.333 0.000 1.281 124 Y HN 0.354 nan 8.280 nan 0.000 0.488 125 W N 2.910 124.318 121.300 0.179 0.000 2.251 125 W HA 0.327 4.987 4.660 -0.000 0.000 0.327 125 W C 0.637 177.067 176.519 -0.149 0.000 1.361 125 W CA -0.714 56.584 57.345 -0.079 0.000 1.234 125 W CB 0.889 30.041 29.460 -0.512 0.000 1.212 125 W HN 0.573 nan 8.180 nan 0.000 0.557 126 V N 4.323 123.937 119.914 -0.499 0.000 2.363 126 V HA -0.389 3.731 4.120 -0.000 0.000 0.254 126 V C 2.148 177.877 176.094 -0.609 0.000 1.074 126 V CA 2.664 64.601 62.300 -0.605 0.000 1.069 126 V CB -1.189 30.152 31.823 -0.803 0.000 0.659 126 V HN 0.758 nan 8.190 nan 0.000 0.455 127 S N -1.623 113.448 115.700 -1.050 0.000 2.428 127 S HA -0.119 4.351 4.470 -0.000 0.000 0.230 127 S C 1.771 176.211 174.600 -0.267 0.000 1.014 127 S CA 1.046 58.794 58.200 -0.753 0.000 0.957 127 S CB -0.368 62.139 63.200 -1.156 0.000 0.784 127 S HN 0.611 nan 8.310 nan 0.000 0.499 128 Y N 1.582 121.807 120.300 -0.126 0.000 2.053 128 Y HA -0.076 4.474 4.550 -0.000 0.000 0.277 128 Y C -0.395 175.352 175.900 -0.255 0.000 1.159 128 Y CA 0.500 58.567 58.100 -0.054 0.000 1.125 128 Y CB -2.421 36.051 38.460 0.021 0.000 0.969 128 Y HN 0.270 nan 8.280 nan 0.000 0.492 129 P HA -0.115 nan 4.420 nan 0.000 0.218 129 P C 1.255 178.454 177.300 -0.169 0.000 1.149 129 P CA 1.826 64.769 63.100 -0.262 0.000 0.817 129 P CB -0.017 31.481 31.700 -0.336 0.000 0.785 130 E N -0.538 119.580 120.200 -0.136 0.000 2.023 130 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 130 E C 1.996 178.593 176.600 -0.005 0.000 1.003 130 E CA 1.443 57.800 56.400 -0.073 0.000 0.809 130 E CB -0.555 29.075 29.700 -0.116 0.000 0.755 130 E HN 0.244 nan 8.360 nan 0.000 0.449 131 M N 0.368 119.967 119.600 -0.003 0.000 2.159 131 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 131 M C 2.419 178.652 176.300 -0.111 0.000 1.063 131 M CA 0.979 56.335 55.300 0.092 0.000 1.110 131 M CB -0.115 32.663 32.600 0.296 0.000 1.374 131 M HN -0.001 nan 8.290 nan 0.000 0.411 132 V N 0.208 119.898 119.914 -0.374 0.000 2.307 132 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 132 V C 2.312 178.280 176.094 -0.210 0.000 1.045 132 V CA 1.817 63.808 62.300 -0.516 0.000 1.024 132 V CB -0.629 30.856 31.823 -0.564 0.000 0.651 132 V HN 0.421 nan 8.190 nan 0.000 0.449 133 R N -1.114 119.318 120.500 -0.114 0.000 2.092 133 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 133 R C 2.198 178.510 176.300 0.021 0.000 1.119 133 R CA 1.689 57.761 56.100 -0.046 0.000 0.970 133 R CB -0.449 29.835 30.300 -0.026 0.000 0.864 133 R HN 0.496 nan 8.270 nan 0.000 0.440 134 F N 0.927 120.841 119.950 -0.060 0.000 2.269 134 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 134 F C 1.813 177.593 175.800 -0.035 0.000 1.082 134 F CA 1.280 59.274 58.000 -0.010 0.000 1.360 134 F CB 0.046 39.090 39.000 0.074 0.000 1.041 134 F HN -0.035 nan 8.300 nan 0.000 0.512 135 A N -0.620 122.226 122.820 0.043 0.000 2.337 135 A HA 0.443 4.763 4.320 -0.000 0.000 0.227 135 A C 1.700 179.236 177.584 -0.079 0.000 1.259 135 A CA 0.578 52.589 52.037 -0.044 0.000 0.870 135 A CB -1.250 17.738 19.000 -0.020 0.000 0.927 135 A HN 0.832 nan 8.150 nan 0.000 0.497 136 G N -1.620 107.123 108.800 -0.094 0.000 2.143 136 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.249 136 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.249 136 G C 0.696 175.554 174.900 -0.070 0.000 0.981 136 G CA 0.323 45.372 45.100 -0.085 0.000 0.665 136 G HN 1.357 nan 8.290 nan 0.000 0.528 137 G N -1.329 107.421 108.800 -0.083 0.000 2.528 137 G HA2 0.640 4.600 3.960 -0.000 0.000 0.289 137 G HA3 0.640 4.600 3.960 -0.000 0.000 0.289 137 G C -0.227 174.617 174.900 -0.094 0.000 1.192 137 G CA 0.006 45.052 45.100 -0.090 0.000 0.921 137 G HN 0.935 nan 8.290 nan 0.000 0.512 138 V N 0.481 120.342 119.914 -0.088 0.000 2.417 138 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 138 V C 0.119 176.155 176.094 -0.098 0.000 1.024 138 V CA -0.672 61.581 62.300 -0.079 0.000 0.861 138 V CB 1.472 33.259 31.823 -0.059 0.000 0.985 138 V HN 0.469 nan 8.190 nan 0.000 0.436 139 V N 5.979 125.833 119.914 -0.099 0.000 2.488 139 V HA 0.301 4.421 4.120 -0.000 0.000 0.277 139 V C 0.024 176.077 176.094 -0.068 0.000 1.046 139 V CA -0.195 62.039 62.300 -0.111 0.000 0.986 139 V CB 1.604 33.348 31.823 -0.132 0.000 0.989 139 V HN 0.619 nan 8.190 nan 0.000 0.475 140 V N 5.103 124.977 119.914 -0.067 0.000 2.349 140 V HA 0.338 4.458 4.120 -0.000 0.000 0.284 140 V C 0.102 176.192 176.094 -0.008 0.000 1.014 140 V CA -0.613 61.665 62.300 -0.037 0.000 0.826 140 V CB 1.458 33.246 31.823 -0.058 0.000 1.009 140 V HN 0.923 nan 8.190 nan 0.000 0.431 141 E N 3.500 123.724 120.200 0.040 0.000 2.283 141 E HA 0.554 4.904 4.350 -0.000 0.000 0.278 141 E C -1.376 175.278 176.600 0.090 0.000 1.027 141 E CA -0.305 56.157 56.400 0.104 0.000 0.843 141 E CB 1.763 31.570 29.700 0.178 0.000 1.062 141 E HN 0.465 nan 8.360 nan 0.000 0.401 142 V N 5.013 124.989 119.914 0.104 0.000 2.531 142 V HA 0.161 4.281 4.120 -0.000 0.000 0.301 142 V C -0.337 175.821 176.094 0.107 0.000 1.034 142 V CA -0.729 61.619 62.300 0.080 0.000 0.865 142 V CB 1.697 33.551 31.823 0.053 0.000 0.995 142 V HN 0.756 nan 8.190 nan 0.000 0.424 143 E N 2.815 123.072 120.200 0.095 0.000 2.277 143 E HA 0.630 4.980 4.350 -0.000 0.000 0.274 143 E C -0.465 176.193 176.600 0.098 0.000 1.022 143 E CA -0.588 55.876 56.400 0.107 0.000 0.853 143 E CB 1.812 31.576 29.700 0.107 0.000 1.086 143 E HN 0.638 nan 8.360 nan 0.000 0.397 144 T N 0.909 115.544 114.554 0.136 0.000 2.855 144 T HA 0.534 4.884 4.350 -0.000 0.000 0.281 144 T C -0.045 174.777 174.700 0.203 0.000 1.007 144 T CA -0.963 61.227 62.100 0.149 0.000 1.009 144 T CB 0.733 69.714 68.868 0.188 0.000 0.983 144 T HN 0.432 nan 8.240 nan 0.000 0.455 145 L N 3.517 124.775 121.223 0.059 0.000 2.322 145 L HA 0.395 4.735 4.340 -0.000 0.000 0.279 145 L C -1.685 174.904 176.870 -0.467 0.000 1.036 145 L CA -2.796 51.990 54.840 -0.091 0.000 0.807 145 L CB 1.952 43.968 42.059 -0.071 0.000 1.226 145 L HN 0.405 nan 8.230 nan 0.000 0.433 146 P HA -0.178 nan 4.420 nan 0.000 0.218 146 P C 1.056 178.048 177.300 -0.515 0.000 1.148 146 P CA 1.006 63.420 63.100 -1.143 0.000 0.822 146 P CB 0.149 31.506 31.700 -0.571 0.000 0.784 147 E N 0.309 120.339 120.200 -0.283 0.000 2.347 147 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 147 E C 0.802 177.322 176.600 -0.134 0.000 1.008 147 E CA 1.046 57.352 56.400 -0.156 0.000 0.852 147 E CB -0.614 29.030 29.700 -0.092 0.000 0.783 147 E HN 0.387 nan 8.360 nan 0.000 0.505 148 E N 0.236 120.338 120.200 -0.163 0.000 2.499 148 E HA 0.224 4.574 4.350 -0.000 0.000 0.199 148 E C 0.381 176.928 176.600 -0.089 0.000 1.016 148 E CA 0.114 56.454 56.400 -0.100 0.000 0.933 148 E CB 0.625 30.282 29.700 -0.071 0.000 1.050 148 E HN 0.409 nan 8.360 nan 0.000 0.462 149 G N 1.045 109.753 108.800 -0.154 0.000 2.179 149 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 149 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 149 G C 0.379 175.331 174.900 0.088 0.000 1.010 149 G CA 0.229 45.291 45.100 -0.063 0.000 0.736 149 G HN 0.396 nan 8.290 nan 0.000 0.513 150 F N -3.564 116.400 119.950 0.024 0.000 3.057 150 F HA -0.217 4.310 4.527 -0.000 0.000 0.287 150 F C 1.049 176.873 175.800 0.040 0.000 0.834 150 F CA 0.612 58.630 58.000 0.031 0.000 1.147 150 F CB -1.876 37.148 39.000 0.042 0.000 1.245 150 F HN 0.331 nan 8.300 nan 0.000 0.509 151 V N 2.433 122.403 119.914 0.094 0.000 2.407 151 V HA 0.379 4.499 4.120 -0.000 0.000 0.278 151 V C -1.396 174.577 176.094 -0.201 0.000 1.037 151 V CA -1.609 60.610 62.300 -0.135 0.000 0.900 151 V CB 1.498 33.285 31.823 -0.059 0.000 0.983 151 V HN -0.119 nan 8.190 nan 0.000 0.459 152 P HA 0.084 nan 4.420 nan 0.000 0.269 152 P C -0.960 176.262 177.300 -0.131 0.000 1.209 152 P CA -0.109 62.871 63.100 -0.200 0.000 0.776 152 P CB 0.771 32.336 31.700 -0.225 0.000 0.876 153 D N 3.174 123.536 120.400 -0.065 0.000 2.373 153 D HA 0.223 4.863 4.640 -0.000 0.000 0.227 153 D C -1.757 174.528 176.300 -0.025 0.000 1.091 153 D CA -2.630 51.345 54.000 -0.041 0.000 0.840 153 D CB 0.762 41.548 40.800 -0.024 0.000 1.060 153 D HN 0.016 nan 8.370 nan 0.000 0.502 154 P HA -0.142 nan 4.420 nan 0.000 0.220 154 P C 0.967 178.274 177.300 0.012 0.000 1.144 154 P CA 0.783 63.885 63.100 0.003 0.000 0.800 154 P CB 0.430 32.132 31.700 0.005 0.000 0.772 155 E N -0.712 119.491 120.200 0.004 0.000 2.107 155 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 155 E C 2.069 178.674 176.600 0.007 0.000 0.982 155 E CA 0.954 57.358 56.400 0.008 0.000 0.809 155 E CB -0.340 29.362 29.700 0.004 0.000 0.756 155 E HN 0.296 nan 8.360 nan 0.000 0.459 156 R N 0.221 120.724 120.500 0.004 0.000 2.115 156 R HA -0.047 4.293 4.340 -0.000 0.000 0.230 156 R C 2.387 178.691 176.300 0.007 0.000 1.111 156 R CA 0.866 56.970 56.100 0.007 0.000 0.976 156 R CB -0.121 30.185 30.300 0.010 0.000 0.870 156 R HN 0.026 nan 8.270 nan 0.000 0.445 157 V N 0.942 120.861 119.914 0.010 0.000 2.427 157 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 157 V C 2.510 178.604 176.094 -0.001 0.000 1.051 157 V CA 1.375 63.682 62.300 0.013 0.000 1.048 157 V CB -0.584 31.260 31.823 0.035 0.000 0.666 157 V HN 0.265 nan 8.190 nan 0.000 0.456 158 R N 0.832 121.335 120.500 0.005 0.000 2.091 158 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 158 R C 2.400 178.670 176.300 -0.049 0.000 1.136 158 R CA 1.665 57.752 56.100 -0.021 0.000 0.959 158 R CB -0.352 29.955 30.300 0.012 0.000 0.856 158 R HN 0.482 nan 8.270 nan 0.000 0.437 159 R N -0.508 119.977 120.500 -0.025 0.000 2.241 159 R HA -0.055 4.285 4.340 -0.000 0.000 0.224 159 R C 1.840 178.117 176.300 -0.038 0.000 1.101 159 R CA 1.105 57.190 56.100 -0.025 0.000 0.995 159 R CB -0.116 30.179 30.300 -0.009 0.000 0.870 159 R HN 0.163 nan 8.270 nan 0.000 0.463 160 A N 0.704 123.495 122.820 -0.049 0.000 2.275 160 A HA 0.176 4.495 4.320 -0.000 0.000 0.212 160 A C 0.784 178.304 177.584 -0.106 0.000 1.201 160 A CA -0.169 51.831 52.037 -0.062 0.000 0.843 160 A CB 0.154 19.123 19.000 -0.052 0.000 0.873 160 A HN 0.064 nan 8.150 nan 0.000 0.492 161 I N 1.733 122.225 120.570 -0.131 0.000 2.441 161 I HA 0.275 4.445 4.170 -0.000 0.000 0.287 161 I C 0.769 176.816 176.117 -0.117 0.000 1.049 161 I CA 0.092 61.287 61.300 -0.176 0.000 1.381 161 I CB 1.377 39.216 38.000 -0.267 0.000 1.409 161 I HN 0.326 nan 8.210 nan 0.000 0.523 162 T N 2.334 116.834 114.554 -0.090 0.000 2.838 162 T HA 0.437 4.787 4.350 -0.000 0.000 0.292 162 T C -2.360 172.336 174.700 -0.007 0.000 1.113 162 T CA -1.728 60.348 62.100 -0.040 0.000 1.008 162 T CB 1.799 70.643 68.868 -0.040 0.000 1.259 162 T HN 0.192 nan 8.240 nan 0.000 0.520 163 P HA 0.096 nan 4.420 nan 0.000 0.228 163 P C 1.108 178.423 177.300 0.024 0.000 1.151 163 P CA 0.443 63.563 63.100 0.034 0.000 0.770 163 P CB 0.139 31.856 31.700 0.028 0.000 0.786 164 R N -1.739 118.761 120.500 -0.000 0.000 2.334 164 R HA 0.157 4.497 4.340 -0.000 0.000 0.216 164 R C 0.260 176.545 176.300 -0.024 0.000 0.905 164 R CA 0.335 56.431 56.100 -0.007 0.000 1.064 164 R CB -0.857 29.432 30.300 -0.018 0.000 1.046 164 R HN 0.163 nan 8.270 nan 0.000 0.508 165 T N 2.110 116.633 114.554 -0.052 0.000 2.829 165 T HA 0.053 4.403 4.350 -0.000 0.000 0.293 165 T C 1.179 175.844 174.700 -0.057 0.000 0.970 165 T CA 0.230 62.245 62.100 -0.142 0.000 1.168 165 T CB 1.369 70.034 68.868 -0.337 0.000 0.911 165 T HN -0.157 nan 8.240 nan 0.000 0.535 166 K N 1.368 121.750 120.400 -0.030 0.000 2.287 166 K HA 0.440 4.760 4.320 -0.000 0.000 0.199 166 K C 0.588 177.311 176.600 0.205 0.000 1.061 166 K CA 0.280 56.633 56.287 0.111 0.000 0.976 166 K CB 0.541 33.120 32.500 0.133 0.000 0.898 166 K HN 0.750 nan 8.250 nan 0.000 0.492 167 A N 0.493 123.350 122.820 0.062 0.000 2.606 167 A HA 0.631 4.951 4.320 -0.000 0.000 0.293 167 A C -1.956 175.591 177.584 -0.061 0.000 1.082 167 A CA -0.711 51.415 52.037 0.148 0.000 0.685 167 A CB 1.316 20.481 19.000 0.276 0.000 1.284 167 A HN 0.059 nan 8.150 nan 0.000 0.408 168 L N 1.246 122.519 121.223 0.084 0.000 2.381 168 L HA 0.733 5.073 4.340 -0.000 0.000 0.274 168 L C -1.349 175.584 176.870 0.106 0.000 0.988 168 L CA -0.403 54.468 54.840 0.052 0.000 0.824 168 L CB 1.895 44.065 42.059 0.184 0.000 1.263 168 L HN 0.471 nan 8.230 nan 0.000 0.410 169 V N 5.857 125.791 119.914 0.034 0.000 2.370 169 V HA 0.588 4.708 4.120 -0.000 0.000 0.279 169 V C -0.260 175.848 176.094 0.023 0.000 1.029 169 V CA -0.543 61.736 62.300 -0.036 0.000 0.870 169 V CB 1.505 33.162 31.823 -0.277 0.000 0.984 169 V HN 0.565 nan 8.190 nan 0.000 0.451 170 V N 4.783 124.742 119.914 0.075 0.000 2.540 170 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 170 V C -0.075 176.115 176.094 0.160 0.000 1.035 170 V CA -0.670 61.743 62.300 0.188 0.000 0.873 170 V CB 1.917 33.881 31.823 0.235 0.000 0.992 170 V HN 0.941 nan 8.190 nan 0.000 0.428 171 N N 2.437 121.256 118.700 0.199 0.000 2.617 171 N HA 0.372 5.112 4.740 -0.000 0.000 0.263 171 N C -1.335 174.101 175.510 -0.124 0.000 1.074 171 N CA 0.031 53.152 53.050 0.118 0.000 0.841 171 N CB 1.230 39.885 38.487 0.281 0.000 1.221 171 N HN 0.632 nan 8.380 nan 0.000 0.529 172 S N 3.655 119.258 115.700 -0.162 0.000 2.594 172 S HA 0.516 4.986 4.470 -0.000 0.000 0.296 172 S C -2.826 171.764 174.600 -0.017 0.000 1.124 172 S CA -1.198 56.798 58.200 -0.341 0.000 1.011 172 S CB 1.424 64.294 63.200 -0.549 0.000 1.016 172 S HN 0.348 nan 8.310 nan 0.000 0.485 173 P HA 0.133 nan 4.420 nan 0.000 0.268 173 P C -0.717 176.479 177.300 -0.173 0.000 1.205 173 P CA -0.246 62.763 63.100 -0.152 0.000 0.771 173 P CB 0.382 31.999 31.700 -0.139 0.000 0.858 174 N N 3.011 121.562 118.700 -0.248 0.000 2.518 174 N HA 0.097 4.837 4.740 -0.000 0.000 0.283 174 N C -0.770 174.602 175.510 -0.230 0.000 1.119 174 N CA -0.119 52.820 53.050 -0.185 0.000 0.983 174 N CB 0.345 38.749 38.487 -0.138 0.000 1.139 174 N HN 0.282 nan 8.380 nan 0.000 0.465 175 N N 3.267 121.861 118.700 -0.177 0.000 2.372 175 N HA 0.351 5.091 4.740 -0.000 0.000 0.285 175 N C -2.171 173.227 175.510 -0.188 0.000 1.008 175 N CA -2.019 50.860 53.050 -0.286 0.000 0.880 175 N CB 1.920 40.277 38.487 -0.218 0.000 1.239 175 N HN 0.373 nan 8.380 nan 0.000 0.484 176 P HA 0.082 nan 4.420 nan 0.000 0.261 176 P C 0.781 177.808 177.300 -0.456 0.000 1.268 176 P CA 0.402 63.099 63.100 -0.671 0.000 0.833 176 P CB 0.236 31.267 31.700 -1.114 0.000 1.231 177 T N -4.197 110.128 114.554 -0.382 0.000 2.985 177 T HA 0.156 4.506 4.350 -0.000 0.000 0.266 177 T C 1.732 176.386 174.700 -0.076 0.000 1.076 177 T CA 1.360 63.272 62.100 -0.315 0.000 1.135 177 T CB -1.165 67.452 68.868 -0.419 0.000 0.890 177 T HN 0.189 nan 8.240 nan 0.000 0.480 178 G N 1.357 110.106 108.800 -0.084 0.000 2.179 178 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.260 178 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.260 178 G C 0.336 175.240 174.900 0.005 0.000 0.977 178 G CA 0.087 45.165 45.100 -0.037 0.000 0.641 178 G HN 1.269 nan 8.290 nan 0.000 0.533 179 A N -0.332 122.514 122.820 0.043 0.000 2.462 179 A HA 0.627 4.947 4.320 -0.000 0.000 0.243 179 A C 0.376 177.953 177.584 -0.012 0.000 1.076 179 A CA 0.563 52.672 52.037 0.120 0.000 0.773 179 A CB 0.987 20.181 19.000 0.323 0.000 1.010 179 A HN 1.156 nan 8.150 nan 0.000 0.493 180 V N 3.818 123.771 119.914 0.066 0.000 2.409 180 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 180 V C -1.104 175.106 176.094 0.193 0.000 1.020 180 V CA -0.532 61.777 62.300 0.015 0.000 0.848 180 V CB 0.947 32.793 31.823 0.038 0.000 0.990 180 V HN 0.699 nan 8.190 nan 0.000 0.430 181 Y N 6.362 126.704 120.300 0.071 0.000 2.359 181 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 181 Y C -1.589 174.330 175.900 0.031 0.000 1.058 181 Y CA -3.647 54.486 58.100 0.056 0.000 1.244 181 Y CB 0.008 38.508 38.460 0.066 0.000 1.187 181 Y HN 0.447 nan 8.280 nan 0.000 0.510 182 P HA -0.000 nan 4.420 nan 0.000 0.268 182 P C 0.459 177.740 177.300 -0.032 0.000 1.208 182 P CA -0.225 62.903 63.100 0.046 0.000 0.777 182 P CB 1.160 32.869 31.700 0.015 0.000 0.875 183 K N 1.774 122.078 120.400 -0.159 0.000 2.147 183 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 183 K C 1.113 177.437 176.600 -0.461 0.000 1.049 183 K CA 1.598 57.584 56.287 -0.502 0.000 0.936 183 K CB -0.283 31.751 32.500 -0.776 0.000 0.722 183 K HN 0.167 nan 8.250 nan 0.000 0.446 184 E N 1.132 121.182 120.200 -0.250 0.000 2.106 184 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 184 E C 2.028 178.559 176.600 -0.115 0.000 0.984 184 E CA 1.120 57.414 56.400 -0.177 0.000 0.806 184 E CB -0.185 29.449 29.700 -0.111 0.000 0.750 184 E HN 0.125 nan 8.360 nan 0.000 0.458 185 V N 0.518 120.385 119.914 -0.078 0.000 2.358 185 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 185 V C 1.976 178.067 176.094 -0.005 0.000 1.047 185 V CA 1.091 63.365 62.300 -0.043 0.000 1.035 185 V CB -0.321 31.469 31.823 -0.055 0.000 0.658 185 V HN 0.239 nan 8.190 nan 0.000 0.452 186 L N -0.019 121.220 121.223 0.027 0.000 2.083 186 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 186 L C 2.436 179.373 176.870 0.112 0.000 1.083 186 L CA 1.717 56.635 54.840 0.131 0.000 0.752 186 L CB -1.234 40.993 42.059 0.280 0.000 0.899 186 L HN 0.437 nan 8.230 nan 0.000 0.433 187 E N -0.848 119.346 120.200 -0.011 0.000 2.106 187 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 187 E C 2.236 178.840 176.600 0.006 0.000 0.984 187 E CA 1.050 57.455 56.400 0.008 0.000 0.806 187 E CB -0.119 29.517 29.700 -0.106 0.000 0.750 187 E HN 0.484 nan 8.360 nan 0.000 0.458 188 A N 1.158 123.972 122.820 -0.011 0.000 1.902 188 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 188 A C 2.166 179.765 177.584 0.025 0.000 1.181 188 A CA 0.995 53.031 52.037 -0.002 0.000 0.623 188 A CB -0.538 18.456 19.000 -0.010 0.000 0.818 188 A HN 0.129 nan 8.150 nan 0.000 0.443 189 L N -0.964 120.289 121.223 0.050 0.000 2.093 189 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 189 L C 3.046 179.955 176.870 0.064 0.000 1.085 189 L CA 0.937 55.829 54.840 0.087 0.000 0.755 189 L CB -0.544 41.586 42.059 0.117 0.000 0.904 189 L HN 0.436 nan 8.230 nan 0.000 0.435 190 A N -0.041 122.808 122.820 0.047 0.000 1.969 190 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 190 A C 2.437 179.957 177.584 -0.105 0.000 1.169 190 A CA 1.385 53.418 52.037 -0.006 0.000 0.635 190 A CB -0.491 18.535 19.000 0.043 0.000 0.810 190 A HN 0.301 nan 8.150 nan 0.000 0.445 191 R N -0.476 119.982 120.500 -0.070 0.000 2.092 191 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 191 R C 1.883 178.103 176.300 -0.132 0.000 1.119 191 R CA 1.085 57.120 56.100 -0.108 0.000 0.970 191 R CB -0.320 29.945 30.300 -0.059 0.000 0.864 191 R HN 0.543 nan 8.270 nan 0.000 0.440 192 L N -0.074 121.117 121.223 -0.053 0.000 2.046 192 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 192 L C 2.649 179.357 176.870 -0.270 0.000 1.077 192 L CA 1.273 56.142 54.840 0.049 0.000 0.747 192 L CB -0.535 41.650 42.059 0.209 0.000 0.896 192 L HN 0.277 nan 8.230 nan 0.000 0.432 193 A N -0.370 122.098 122.820 -0.587 0.000 1.902 193 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 193 A C 2.330 179.444 177.584 -0.783 0.000 1.181 193 A CA 1.864 53.202 52.037 -1.165 0.000 0.623 193 A CB -0.780 17.875 19.000 -0.574 0.000 0.818 193 A HN 0.201 nan 8.150 nan 0.000 0.443 194 V N -0.269 119.232 119.914 -0.689 0.000 2.307 194 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 194 V C 2.406 178.265 176.094 -0.392 0.000 1.045 194 V CA 2.251 64.104 62.300 -0.744 0.000 1.024 194 V CB -0.765 30.716 31.823 -0.570 0.000 0.651 194 V HN 0.636 nan 8.190 nan 0.000 0.449 195 E N -0.671 119.314 120.200 -0.358 0.000 2.106 195 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 195 E C 1.774 178.082 176.600 -0.488 0.000 0.984 195 E CA 1.396 57.558 56.400 -0.396 0.000 0.806 195 E CB -0.057 29.366 29.700 -0.462 0.000 0.750 195 E HN 0.765 nan 8.360 nan 0.000 0.458 196 H N -0.695 118.274 119.070 -0.169 0.000 2.586 196 H HA 0.097 4.653 4.556 -0.000 0.000 0.273 196 H C -0.410 174.905 175.328 -0.021 0.000 0.997 196 H CA 0.122 56.151 56.048 -0.032 0.000 1.177 196 H CB 0.629 30.490 29.762 0.164 0.000 1.471 196 H HN -0.046 nan 8.280 nan 0.000 0.538 197 D N 0.592 120.945 120.400 -0.077 0.000 2.746 197 D HA -0.194 4.446 4.640 -0.000 0.000 0.241 197 D C -0.982 175.343 176.300 0.041 0.000 1.140 197 D CA 0.741 54.742 54.000 0.002 0.000 0.707 197 D CB -1.320 39.494 40.800 0.024 0.000 1.034 197 D HN 0.427 nan 8.370 nan 0.000 0.423 198 F N -1.427 118.554 119.950 0.051 0.000 2.675 198 F HA 0.723 5.249 4.527 -0.000 0.000 0.324 198 F C -0.744 175.034 175.800 -0.037 0.000 1.106 198 F CA -1.535 56.431 58.000 -0.057 0.000 0.970 198 F CB 0.525 39.544 39.000 0.032 0.000 1.385 198 F HN -0.196 nan 8.300 nan 0.000 0.489 199 Y N 1.764 122.322 120.300 0.431 0.000 2.301 199 Y HA 0.479 5.029 4.550 -0.000 0.000 0.325 199 Y C 0.032 176.139 175.900 0.345 0.000 1.203 199 Y CA -0.947 57.316 58.100 0.271 0.000 1.255 199 Y CB 1.092 39.640 38.460 0.146 0.000 1.232 199 Y HN 0.531 nan 8.280 nan 0.000 0.501 200 L N 4.588 126.047 121.223 0.394 0.000 2.280 200 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 200 L C -1.316 175.662 176.870 0.180 0.000 1.023 200 L CA -0.744 54.267 54.840 0.285 0.000 0.819 200 L CB 0.912 43.092 42.059 0.202 0.000 1.212 200 L HN 0.409 nan 8.230 nan 0.000 0.420 201 V N 4.536 124.531 119.914 0.136 0.000 2.333 201 V HA 0.267 4.387 4.120 -0.000 0.000 0.274 201 V C 0.480 176.596 176.094 0.037 0.000 1.028 201 V CA -0.289 62.034 62.300 0.038 0.000 0.851 201 V CB 1.302 33.120 31.823 -0.008 0.000 1.000 201 V HN 0.866 nan 8.190 nan 0.000 0.456 202 S N 3.483 119.199 115.700 0.028 0.000 2.461 202 S HA 0.259 4.729 4.470 -0.000 0.000 0.322 202 S C -0.450 174.174 174.600 0.039 0.000 1.063 202 S CA -0.630 57.599 58.200 0.048 0.000 1.120 202 S CB 0.448 63.676 63.200 0.046 0.000 0.968 202 S HN 0.805 nan 8.310 nan 0.000 0.467 203 D N 3.958 124.390 120.400 0.054 0.000 2.441 203 D HA 0.173 4.813 4.640 -0.000 0.000 0.221 203 D C 0.313 176.632 176.300 0.032 0.000 1.156 203 D CA -0.176 53.852 54.000 0.046 0.000 0.896 203 D CB 0.646 41.518 40.800 0.120 0.000 1.028 203 D HN 0.640 nan 8.370 nan 0.000 0.509 204 E N 2.812 123.023 120.200 0.017 0.000 2.437 204 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 204 E C 1.419 177.912 176.600 -0.179 0.000 1.029 204 E CA -0.081 56.323 56.400 0.007 0.000 0.948 204 E CB 0.176 29.966 29.700 0.150 0.000 1.082 204 E HN 0.530 nan 8.360 nan 0.000 0.456 205 I N -1.797 118.614 120.570 -0.264 0.000 2.657 205 I HA -0.239 3.931 4.170 -0.000 0.000 0.261 205 I C 1.237 176.985 176.117 -0.614 0.000 1.212 205 I CA 1.362 62.388 61.300 -0.457 0.000 1.453 205 I CB -0.771 36.872 38.000 -0.595 0.000 1.092 205 I HN 0.075 nan 8.210 nan 0.000 0.452 206 Y N 1.803 121.923 120.300 -0.300 0.000 2.532 206 Y HA 0.151 4.701 4.550 -0.000 0.000 0.283 206 Y C 2.142 177.805 175.900 -0.395 0.000 1.181 206 Y CA -0.114 57.785 58.100 -0.335 0.000 1.256 206 Y CB -0.781 37.472 38.460 -0.344 0.000 1.112 206 Y HN 0.406 nan 8.280 nan 0.000 0.521 207 E N -0.525 119.390 120.200 -0.475 0.000 2.147 207 E HA -0.302 4.048 4.350 -0.000 0.000 0.199 207 E C 0.746 177.008 176.600 -0.563 0.000 1.005 207 E CA 2.242 58.160 56.400 -0.803 0.000 0.810 207 E CB -0.498 28.511 29.700 -1.153 0.000 0.736 207 E HN 0.626 nan 8.360 nan 0.000 0.460 208 H N -0.012 118.919 119.070 -0.233 0.000 2.551 208 H HA 0.206 4.762 4.556 -0.000 0.000 0.266 208 H C 0.205 175.473 175.328 -0.100 0.000 0.964 208 H CA 0.069 56.027 56.048 -0.150 0.000 1.180 208 H CB 0.345 30.010 29.762 -0.162 0.000 1.408 208 H HN 0.097 nan 8.280 nan 0.000 0.563 209 L N 1.910 123.112 121.223 -0.036 0.000 2.475 209 L HA 0.300 4.640 4.340 -0.000 0.000 0.253 209 L C -0.987 175.634 176.870 -0.414 0.000 1.137 209 L CA -0.308 54.490 54.840 -0.070 0.000 1.058 209 L CB 0.182 42.249 42.059 0.015 0.000 1.382 209 L HN 0.122 nan 8.230 nan 0.000 0.416 210 L N 0.681 121.622 121.223 -0.470 0.000 2.385 210 L HA 0.404 4.744 4.340 -0.000 0.000 0.273 210 L C -0.131 176.393 176.870 -0.576 0.000 0.990 210 L CA -0.207 54.318 54.840 -0.525 0.000 0.821 210 L CB 2.046 43.991 42.059 -0.189 0.000 1.279 210 L HN 0.131 nan 8.230 nan 0.000 0.412 211 Y N 1.318 121.669 120.300 0.085 0.000 2.500 211 Y HA 0.372 4.922 4.550 -0.000 0.000 0.284 211 Y C 0.324 176.265 175.900 0.067 0.000 1.118 211 Y CA -0.352 57.797 58.100 0.083 0.000 1.241 211 Y CB 0.251 38.765 38.460 0.090 0.000 1.171 211 Y HN 0.504 nan 8.280 nan 0.000 0.540 212 E N -0.114 120.164 120.200 0.130 0.000 2.343 212 E HA 0.551 4.901 4.350 -0.000 0.000 0.278 212 E C 0.092 176.734 176.600 0.070 0.000 0.910 212 E CA -0.348 56.112 56.400 0.100 0.000 0.757 212 E CB 2.043 31.808 29.700 0.108 0.000 1.218 212 E HN 0.263 nan 8.360 nan 0.000 0.435 213 G N 1.859 110.698 108.800 0.065 0.000 2.466 213 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.316 213 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.316 213 G C -1.300 173.641 174.900 0.067 0.000 1.270 213 G CA -0.546 44.592 45.100 0.063 0.000 0.982 213 G HN 0.575 nan 8.290 nan 0.000 0.506 214 E N -0.258 119.989 120.200 0.079 0.000 2.266 214 E HA 0.441 4.791 4.350 -0.000 0.000 0.268 214 E C -1.047 175.633 176.600 0.133 0.000 0.879 214 E CA -0.814 55.647 56.400 0.102 0.000 0.762 214 E CB 2.126 31.886 29.700 0.100 0.000 1.199 214 E HN 0.638 nan 8.360 nan 0.000 0.422 215 H N 2.121 121.225 119.070 0.057 0.000 2.782 215 H HA 0.250 4.806 4.556 -0.000 0.000 0.285 215 H C -1.399 174.001 175.328 0.119 0.000 1.093 215 H CA -0.290 55.789 56.048 0.051 0.000 1.410 215 H CB -0.133 29.614 29.762 -0.025 0.000 1.439 215 H HN 0.327 nan 8.280 nan 0.000 0.469 216 F N 3.905 123.600 119.950 -0.425 0.000 2.420 216 F HA 0.427 4.954 4.527 -0.000 0.000 0.342 216 F C -0.491 175.071 175.800 -0.397 0.000 1.113 216 F CA -0.496 57.332 58.000 -0.287 0.000 1.059 216 F CB 1.206 40.132 39.000 -0.124 0.000 1.128 216 F HN 0.425 nan 8.300 nan 0.000 0.475 217 S N 8.239 123.416 115.700 -0.872 0.000 2.422 217 S HA 0.244 4.714 4.470 -0.000 0.000 0.308 217 S C -1.741 172.417 174.600 -0.736 0.000 1.097 217 S CA -1.084 56.769 58.200 -0.578 0.000 1.099 217 S CB 1.334 64.351 63.200 -0.304 0.000 0.976 217 S HN 0.549 nan 8.310 nan 0.000 0.471 218 P HA -0.069 nan 4.420 nan 0.000 0.223 218 P C 1.401 178.647 177.300 -0.089 0.000 1.144 218 P CA 0.709 63.775 63.100 -0.056 0.000 0.783 218 P CB -0.087 31.680 31.700 0.111 0.000 0.771 219 G N 0.351 109.071 108.800 -0.134 0.000 2.535 219 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 219 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 219 G C 1.738 176.576 174.900 -0.104 0.000 1.122 219 G CA 0.049 45.092 45.100 -0.094 0.000 0.769 219 G HN 0.262 nan 8.290 nan 0.000 0.549 220 R N -0.405 119.982 120.500 -0.189 0.000 2.120 220 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 220 R C 2.552 178.831 176.300 -0.034 0.000 1.123 220 R CA 1.609 57.622 56.100 -0.146 0.000 0.975 220 R CB -0.157 29.975 30.300 -0.281 0.000 0.866 220 R HN 0.495 nan 8.270 nan 0.000 0.446 221 V N -4.575 115.343 119.914 0.006 0.000 3.523 221 V HA 0.441 4.561 4.120 -0.000 0.000 0.255 221 V C 0.696 176.801 176.094 0.019 0.000 1.226 221 V CA 0.541 62.869 62.300 0.047 0.000 1.092 221 V CB 0.905 32.796 31.823 0.112 0.000 0.817 221 V HN 0.077 nan 8.190 nan 0.000 0.458 222 A N 1.519 124.349 122.820 0.016 0.000 3.317 222 A HA 0.658 4.978 4.320 -0.000 0.000 0.307 222 A C -1.302 176.327 177.584 0.074 0.000 1.003 222 A CA -0.711 51.345 52.037 0.031 0.000 0.882 222 A CB 0.290 19.268 19.000 -0.036 0.000 1.136 222 A HN 0.324 nan 8.150 nan 0.000 0.488 223 P HA -0.191 nan 4.420 nan 0.000 0.218 223 P C 0.764 178.091 177.300 0.045 0.000 1.148 223 P CA 1.321 64.435 63.100 0.023 0.000 0.822 223 P CB 0.337 32.035 31.700 -0.003 0.000 0.784 224 E N -1.560 118.688 120.200 0.080 0.000 2.482 224 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 224 E C 1.022 177.599 176.600 -0.038 0.000 1.047 224 E CA 0.489 56.902 56.400 0.022 0.000 0.869 224 E CB -0.323 29.367 29.700 -0.017 0.000 0.836 224 E HN 0.524 nan 8.360 nan 0.000 0.520 225 H N -1.345 117.748 119.070 0.038 0.000 2.827 225 H HA 0.183 4.739 4.556 -0.000 0.000 0.269 225 H C -0.312 175.105 175.328 0.147 0.000 1.031 225 H CA 0.252 56.342 56.048 0.070 0.000 1.202 225 H CB 1.001 30.737 29.762 -0.044 0.000 1.511 225 H HN -0.138 nan 8.280 nan 0.000 0.517 226 T N 1.412 116.077 114.554 0.184 0.000 2.797 226 T HA 0.477 4.827 4.350 -0.000 0.000 0.279 226 T C -0.300 174.411 174.700 0.019 0.000 0.991 226 T CA -0.629 61.535 62.100 0.107 0.000 0.979 226 T CB 1.601 70.499 68.868 0.050 0.000 0.943 226 T HN 0.036 nan 8.240 nan 0.000 0.444 227 L N 3.287 124.504 121.223 -0.010 0.000 2.294 227 L HA 0.379 4.719 4.340 -0.000 0.000 0.283 227 L C 0.296 177.110 176.870 -0.094 0.000 1.015 227 L CA -0.542 54.239 54.840 -0.097 0.000 0.831 227 L CB 1.225 43.191 42.059 -0.155 0.000 1.217 227 L HN 0.626 nan 8.230 nan 0.000 0.420 228 T N 2.967 117.435 114.554 -0.142 0.000 2.743 228 T HA 0.425 4.775 4.350 -0.000 0.000 0.293 228 T C 0.010 174.659 174.700 -0.085 0.000 0.945 228 T CA -0.323 61.704 62.100 -0.122 0.000 1.030 228 T CB 1.230 69.966 68.868 -0.219 0.000 0.912 228 T HN 0.123 nan 8.240 nan 0.000 0.483 229 V N 5.148 125.053 119.914 -0.014 0.000 2.483 229 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 229 V C 0.213 176.329 176.094 0.036 0.000 1.035 229 V CA -0.742 61.564 62.300 0.010 0.000 0.896 229 V CB 1.769 33.582 31.823 -0.016 0.000 0.986 229 V HN 0.804 nan 8.190 nan 0.000 0.447 230 N N 1.347 120.070 118.700 0.039 0.000 3.439 230 N HA 0.789 5.529 4.740 -0.000 0.000 0.313 230 N C -0.555 174.704 175.510 -0.418 0.000 1.598 230 N CA 0.388 53.404 53.050 -0.056 0.000 0.830 230 N CB 2.368 40.999 38.487 0.240 0.000 1.849 230 N HN 0.956 nan 8.380 nan 0.000 0.598 231 G N -1.543 106.824 108.800 -0.721 0.000 2.316 231 G HA2 0.494 4.454 3.960 -0.000 0.000 0.296 231 G HA3 0.494 4.454 3.960 -0.000 0.000 0.296 231 G C -0.621 173.941 174.900 -0.564 0.000 1.399 231 G CA 0.251 44.676 45.100 -1.125 0.000 0.833 231 G HN 0.610 nan 8.290 nan 0.000 0.565 232 A N -0.595 122.050 122.820 -0.291 0.000 2.132 232 A HA 0.593 4.913 4.320 -0.000 0.000 0.213 232 A C 2.541 180.140 177.584 0.026 0.000 1.154 232 A CA 1.780 53.890 52.037 0.121 0.000 0.753 232 A CB -0.578 18.564 19.000 0.236 0.000 0.826 232 A HN 2.050 nan 8.150 nan 0.000 0.469 233 A N 0.973 123.756 122.820 -0.062 0.000 1.859 233 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 233 A C 2.086 179.681 177.584 0.018 0.000 1.209 233 A CA 2.036 54.069 52.037 -0.006 0.000 0.639 233 A CB -0.361 18.621 19.000 -0.030 0.000 0.835 233 A HN 0.347 nan 8.150 nan 0.000 0.450 234 K N -0.617 119.728 120.400 -0.092 0.000 2.098 234 K HA 0.179 4.499 4.320 -0.000 0.000 0.203 234 K C 2.310 178.939 176.600 0.048 0.000 1.051 234 K CA 1.180 57.460 56.287 -0.012 0.000 0.957 234 K CB -0.947 31.357 32.500 -0.327 0.000 0.738 234 K HN 0.440 nan 8.250 nan 0.000 0.447 235 A N 0.871 123.582 122.820 -0.180 0.000 1.877 235 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 235 A C 1.277 178.684 177.584 -0.295 0.000 1.186 235 A CA 1.327 53.146 52.037 -0.363 0.000 0.620 235 A CB -0.471 18.032 19.000 -0.827 0.000 0.822 235 A HN 0.236 nan 8.150 nan 0.000 0.443 236 F N -1.288 118.752 119.950 0.151 0.000 2.668 236 F HA 0.581 5.108 4.527 -0.000 0.000 0.301 236 F C 1.220 176.940 175.800 -0.134 0.000 1.106 236 F CA -0.579 57.397 58.000 -0.041 0.000 1.289 236 F CB -0.478 38.395 39.000 -0.211 0.000 1.006 236 F HN 0.313 nan 8.300 nan 0.000 0.535 237 A N 0.743 123.706 122.820 0.239 0.000 2.610 237 A HA -0.271 4.049 4.320 -0.000 0.000 0.299 237 A C 0.658 178.342 177.584 0.167 0.000 1.487 237 A CA 1.049 53.236 52.037 0.251 0.000 0.743 237 A CB -2.139 17.072 19.000 0.353 0.000 1.070 237 A HN 0.492 nan 8.150 nan 0.000 0.439 238 M N 0.267 119.947 119.600 0.133 0.000 2.869 238 M HA 0.060 4.540 4.480 -0.000 0.000 0.353 238 M C 1.728 178.194 176.300 0.278 0.000 1.224 238 M CA 0.585 55.969 55.300 0.140 0.000 0.917 238 M CB 0.125 32.602 32.600 -0.204 0.000 1.322 238 M HN 0.751 nan 8.290 nan 0.000 0.516 239 T N -2.571 112.131 114.554 0.246 0.000 2.684 239 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 239 T C 1.848 176.672 174.700 0.207 0.000 1.036 239 T CA 1.793 64.010 62.100 0.195 0.000 1.148 239 T CB -0.645 68.327 68.868 0.174 0.000 0.863 239 T HN 0.574 nan 8.240 nan 0.000 0.436 240 G N -0.649 108.287 108.800 0.227 0.000 2.679 240 G HA2 0.042 4.002 3.960 -0.000 0.000 0.212 240 G HA3 0.042 4.002 3.960 -0.000 0.000 0.212 240 G C 0.893 175.853 174.900 0.100 0.000 1.137 240 G CA -0.075 45.096 45.100 0.117 0.000 0.787 240 G HN 0.617 nan 8.290 nan 0.000 0.534 241 W N -0.007 121.309 121.300 0.027 0.000 2.658 241 W HA 0.274 4.934 4.660 -0.000 0.000 0.263 241 W C 0.691 177.223 176.519 0.022 0.000 1.274 241 W CA -0.282 57.076 57.345 0.022 0.000 1.343 241 W CB 0.357 29.831 29.460 0.022 0.000 1.106 241 W HN -0.019 nan 8.180 nan 0.000 0.615 242 R N 0.338 120.980 120.500 0.236 0.000 3.209 242 R HA -0.174 4.166 4.340 -0.000 0.000 0.252 242 R C -0.956 175.417 176.300 0.122 0.000 0.958 242 R CA 0.623 56.805 56.100 0.136 0.000 0.651 242 R CB -3.118 27.238 30.300 0.092 0.000 1.142 242 R HN 0.128 nan 8.270 nan 0.000 0.441 243 I N 0.003 120.635 120.570 0.104 0.000 2.439 243 I HA 0.527 4.697 4.170 -0.000 0.000 0.285 243 I C 1.071 177.159 176.117 -0.049 0.000 1.021 243 I CA -0.357 60.988 61.300 0.075 0.000 1.091 243 I CB 1.910 39.981 38.000 0.118 0.000 1.242 243 I HN 0.344 nan 8.210 nan 0.000 0.439 244 G N 5.889 114.649 108.800 -0.068 0.000 2.714 244 G HA2 0.825 4.785 3.960 -0.000 0.000 0.292 244 G HA3 0.825 4.785 3.960 -0.000 0.000 0.292 244 G C -1.895 172.944 174.900 -0.102 0.000 1.308 244 G CA -0.425 44.514 45.100 -0.269 0.000 0.964 244 G HN 0.474 nan 8.290 nan 0.000 0.484 245 Y N -2.494 117.852 120.300 0.077 0.000 2.581 245 Y HA 0.812 5.361 4.550 -0.000 0.000 0.337 245 Y C -0.140 175.867 175.900 0.179 0.000 1.108 245 Y CA -1.498 56.677 58.100 0.125 0.000 1.033 245 Y CB 1.329 39.874 38.460 0.142 0.000 1.318 245 Y HN 0.936 nan 8.280 nan 0.000 0.459 246 A N 0.698 123.709 122.820 0.319 0.000 2.566 246 A HA 0.926 5.246 4.320 -0.000 0.000 0.292 246 A C -0.977 176.572 177.584 -0.059 0.000 1.112 246 A CA -0.378 51.723 52.037 0.108 0.000 0.707 246 A CB 1.091 20.094 19.000 0.005 0.000 1.302 246 A HN 1.698 nan 8.150 nan 0.000 0.409 247 C N -0.861 118.232 119.300 -0.346 0.000 3.090 247 C HA 1.089 5.549 4.460 -0.000 0.000 0.305 247 C C 0.319 175.135 174.990 -0.290 0.000 1.292 247 C CA 0.161 58.941 59.018 -0.396 0.000 1.482 247 C CB 1.093 28.357 27.740 -0.794 0.000 1.897 247 C HN 2.617 nan 8.230 nan 0.000 0.469 248 G N 0.677 109.358 108.800 -0.197 0.000 2.323 248 G HA2 0.570 4.530 3.960 -0.000 0.000 0.291 248 G HA3 0.570 4.530 3.960 -0.000 0.000 0.291 248 G C -3.603 171.243 174.900 -0.090 0.000 1.278 248 G CA -0.727 44.290 45.100 -0.138 0.000 0.860 248 G HN 0.598 nan 8.290 nan 0.000 0.504 249 P HA 0.155 nan 4.420 nan 0.000 0.262 249 P C 0.805 178.080 177.300 -0.041 0.000 1.182 249 P CA 0.132 63.213 63.100 -0.032 0.000 0.761 249 P CB 0.990 32.695 31.700 0.008 0.000 0.795 250 K N 3.893 124.274 120.400 -0.031 0.000 2.077 250 K HA -0.278 4.041 4.320 -0.000 0.000 0.213 250 K C 1.739 178.324 176.600 -0.026 0.000 1.051 250 K CA 2.259 58.529 56.287 -0.027 0.000 0.929 250 K CB -0.040 32.449 32.500 -0.018 0.000 0.715 250 K HN 0.612 nan 8.250 nan 0.000 0.451 251 E N -0.276 119.913 120.200 -0.019 0.000 2.150 251 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 251 E C 1.828 178.409 176.600 -0.033 0.000 0.985 251 E CA 1.340 57.730 56.400 -0.016 0.000 0.814 251 E CB -0.159 29.540 29.700 -0.000 0.000 0.752 251 E HN 0.116 nan 8.360 nan 0.000 0.466 252 V N 1.576 121.456 119.914 -0.057 0.000 2.379 252 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 252 V C 2.418 178.453 176.094 -0.099 0.000 1.044 252 V CA 1.034 63.267 62.300 -0.112 0.000 1.036 252 V CB -0.317 31.375 31.823 -0.219 0.000 0.664 252 V HN 0.330 nan 8.190 nan 0.000 0.453 253 I N 0.423 120.945 120.570 -0.079 0.000 2.286 253 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 253 I C 2.528 178.622 176.117 -0.039 0.000 1.115 253 I CA 1.556 62.820 61.300 -0.061 0.000 1.392 253 I CB -1.119 36.850 38.000 -0.051 0.000 1.065 253 I HN 0.357 nan 8.210 nan 0.000 0.418 254 K N 1.983 122.364 120.400 -0.032 0.000 2.057 254 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 254 K C 2.053 178.641 176.600 -0.020 0.000 1.049 254 K CA 1.714 57.989 56.287 -0.020 0.000 0.931 254 K CB -0.128 32.362 32.500 -0.016 0.000 0.714 254 K HN 0.217 nan 8.250 nan 0.000 0.440 255 A N 1.435 124.237 122.820 -0.029 0.000 1.902 255 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 255 A C 2.374 179.942 177.584 -0.026 0.000 1.181 255 A CA 1.842 53.863 52.037 -0.027 0.000 0.623 255 A CB -0.467 18.510 19.000 -0.038 0.000 0.818 255 A HN 0.399 nan 8.150 nan 0.000 0.443 256 M N -0.524 119.053 119.600 -0.039 0.000 2.149 256 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 256 M C 2.426 178.727 176.300 0.002 0.000 1.064 256 M CA 1.441 56.725 55.300 -0.027 0.000 1.102 256 M CB -0.335 32.239 32.600 -0.044 0.000 1.369 256 M HN 0.490 nan 8.290 nan 0.000 0.408 257 A N -0.807 122.012 122.820 -0.001 0.000 1.969 257 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 257 A C 2.241 179.831 177.584 0.010 0.000 1.169 257 A CA 1.798 53.840 52.037 0.008 0.000 0.635 257 A CB -0.592 18.410 19.000 0.003 0.000 0.810 257 A HN 0.422 nan 8.150 nan 0.000 0.445 258 S N -0.349 115.355 115.700 0.006 0.000 2.368 258 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 258 S C 1.877 176.490 174.600 0.022 0.000 1.029 258 S CA 1.400 59.605 58.200 0.009 0.000 0.988 258 S CB -0.366 62.837 63.200 0.004 0.000 0.838 258 S HN 0.365 nan 8.310 nan 0.000 0.462 259 V N 1.598 121.531 119.914 0.031 0.000 2.343 259 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 259 V C 2.383 178.523 176.094 0.076 0.000 1.051 259 V CA 1.796 64.133 62.300 0.061 0.000 1.036 259 V CB -0.898 30.968 31.823 0.071 0.000 0.654 259 V HN 0.413 nan 8.190 nan 0.000 0.451 260 S N -0.649 115.088 115.700 0.062 0.000 2.382 260 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 260 S C 2.114 176.737 174.600 0.038 0.000 1.027 260 S CA 1.576 59.812 58.200 0.059 0.000 0.991 260 S CB -0.376 62.854 63.200 0.049 0.000 0.823 260 S HN 0.522 nan 8.310 nan 0.000 0.469 261 R N 1.151 121.664 120.500 0.022 0.000 2.105 261 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 261 R C 1.760 178.063 176.300 0.004 0.000 1.135 261 R CA 1.431 57.532 56.100 0.001 0.000 0.967 261 R CB -0.123 30.173 30.300 -0.007 0.000 0.861 261 R HN 0.485 nan 8.270 nan 0.000 0.442 262 Q N -0.911 118.903 119.800 0.024 0.000 2.403 262 Q HA 0.030 4.370 4.340 -0.000 0.000 0.203 262 Q C 1.143 177.172 176.000 0.048 0.000 0.932 262 Q CA 0.737 56.559 55.803 0.032 0.000 0.945 262 Q CB 0.957 29.719 28.738 0.040 0.000 1.045 262 Q HN 0.387 nan 8.270 nan 0.000 0.511 263 S N -1.111 114.621 115.700 0.053 0.000 3.526 263 S HA -0.018 4.452 4.470 -0.000 0.000 0.222 263 S C 1.889 176.513 174.600 0.040 0.000 1.001 263 S CA 0.490 58.725 58.200 0.059 0.000 0.831 263 S CB -0.331 62.924 63.200 0.092 0.000 0.941 263 S HN 0.226 nan 8.310 nan 0.000 0.585 264 T N -1.359 113.220 114.554 0.041 0.000 3.022 264 T HA 0.337 4.687 4.350 -0.000 0.000 0.250 264 T C 1.089 175.819 174.700 0.051 0.000 1.060 264 T CA 0.973 63.098 62.100 0.041 0.000 1.013 264 T CB -0.171 68.720 68.868 0.039 0.000 0.982 264 T HN 0.473 nan 8.240 nan 0.000 0.508 265 T N 0.408 114.980 114.554 0.030 0.000 12.892 265 T HA -0.233 4.117 4.350 -0.000 0.000 0.418 265 T C 0.264 174.979 174.700 0.026 0.000 1.450 265 T CA 1.595 63.696 62.100 0.001 0.000 2.382 265 T CB -1.787 67.061 68.868 -0.034 0.000 2.816 265 T HN 0.914 nan 8.240 nan 0.000 0.702 266 S N 0.872 116.612 115.700 0.066 0.000 2.586 266 S HA 0.540 5.010 4.470 -0.000 0.000 0.277 266 S C -3.168 171.485 174.600 0.088 0.000 1.131 266 S CA -1.017 57.227 58.200 0.073 0.000 0.848 266 S CB 1.675 64.925 63.200 0.084 0.000 1.091 266 S HN 0.165 nan 8.310 nan 0.000 0.453 267 P HA 0.176 nan 4.420 nan 0.000 0.272 267 P C -1.042 176.315 177.300 0.096 0.000 1.230 267 P CA -0.218 62.931 63.100 0.082 0.000 0.788 267 P CB 0.304 32.051 31.700 0.079 0.000 0.949 268 D N 0.742 121.200 120.400 0.098 0.000 2.586 268 D HA -0.072 4.568 4.640 -0.000 0.000 0.234 268 D C 0.650 177.028 176.300 0.129 0.000 1.132 268 D CA 0.831 54.892 54.000 0.103 0.000 0.860 268 D CB 0.490 41.344 40.800 0.091 0.000 1.159 268 D HN 0.235 nan 8.370 nan 0.000 0.490 269 T N 4.411 119.049 114.554 0.140 0.000 2.788 269 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 269 T C 1.905 176.783 174.700 0.297 0.000 1.044 269 T CA 0.899 63.119 62.100 0.201 0.000 1.139 269 T CB -0.012 68.984 68.868 0.214 0.000 0.867 269 T HN 0.441 nan 8.240 nan 0.000 0.454 270 I N 1.679 122.392 120.570 0.238 0.000 2.315 270 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 270 I C 2.693 179.003 176.117 0.323 0.000 1.117 270 I CA 0.899 62.357 61.300 0.264 0.000 1.404 270 I CB -0.718 37.378 38.000 0.160 0.000 1.071 270 I HN 0.162 nan 8.210 nan 0.000 0.419 271 A N -0.359 122.643 122.820 0.304 0.000 1.969 271 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 271 A C 2.263 179.959 177.584 0.187 0.000 1.169 271 A CA 1.262 53.528 52.037 0.381 0.000 0.635 271 A CB -0.516 18.718 19.000 0.391 0.000 0.810 271 A HN 0.501 nan 8.150 nan 0.000 0.445 272 Q N -1.648 118.220 119.800 0.113 0.000 2.079 272 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 272 Q C 1.902 177.814 176.000 -0.147 0.000 0.974 272 Q CA 1.539 57.311 55.803 -0.052 0.000 0.840 272 Q CB -0.228 28.426 28.738 -0.139 0.000 0.898 272 Q HN 0.898 nan 8.270 nan 0.000 0.430 273 W N 0.515 121.831 121.300 0.026 0.000 2.402 273 W HA -0.079 4.581 4.660 0.000 0.000 0.286 273 W C 2.454 178.947 176.519 -0.043 0.000 1.221 273 W CA 0.946 58.289 57.345 -0.003 0.000 1.257 273 W CB -0.129 29.339 29.460 0.013 0.000 1.120 273 W HN 0.150 nan 8.180 nan 0.000 0.551 274 A N -0.399 122.512 122.820 0.151 0.000 1.898 274 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 274 A C 1.869 179.320 177.584 -0.220 0.000 1.181 274 A CA 2.155 54.162 52.037 -0.051 0.000 0.620 274 A CB -1.179 17.750 19.000 -0.118 0.000 0.819 274 A HN 0.197 nan 8.150 nan 0.000 0.442 275 T N 0.194 114.635 114.554 -0.188 0.000 2.821 275 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 275 T C 1.808 176.379 174.700 -0.215 0.000 1.046 275 T CA 1.372 63.343 62.100 -0.215 0.000 1.139 275 T CB -0.351 68.469 68.868 -0.080 0.000 0.871 275 T HN 0.326 nan 8.240 nan 0.000 0.454 276 L N 1.743 122.860 121.223 -0.176 0.000 2.042 276 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 276 L C 2.403 179.194 176.870 -0.133 0.000 1.076 276 L CA 1.980 56.717 54.840 -0.172 0.000 0.749 276 L CB -0.634 41.320 42.059 -0.174 0.000 0.893 276 L HN 0.149 nan 8.230 nan 0.000 0.432 277 E N -0.141 119.996 120.200 -0.105 0.000 2.077 277 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 277 E C 2.086 178.593 176.600 -0.155 0.000 0.989 277 E CA 1.509 57.855 56.400 -0.089 0.000 0.800 277 E CB -0.404 29.252 29.700 -0.072 0.000 0.746 277 E HN 0.551 nan 8.360 nan 0.000 0.452 278 A N 0.322 122.937 122.820 -0.343 0.000 1.978 278 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 278 A C 2.240 179.570 177.584 -0.423 0.000 1.170 278 A CA 1.479 53.186 52.037 -0.549 0.000 0.636 278 A CB -0.562 17.858 19.000 -0.967 0.000 0.810 278 A HN 0.363 nan 8.150 nan 0.000 0.448 279 L N -0.749 120.297 121.223 -0.295 0.000 2.249 279 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 279 L C 2.836 179.621 176.870 -0.142 0.000 1.090 279 L CA 1.545 56.260 54.840 -0.209 0.000 0.802 279 L CB -0.468 41.449 42.059 -0.238 0.000 0.947 279 L HN 0.634 nan 8.230 nan 0.000 0.453 280 T N -4.188 110.295 114.554 -0.119 0.000 3.031 280 T HA -0.035 4.315 4.350 -0.000 0.000 0.254 280 T C 1.192 175.854 174.700 -0.062 0.000 1.060 280 T CA 0.111 62.164 62.100 -0.078 0.000 1.135 280 T CB -0.224 68.610 68.868 -0.056 0.000 0.896 280 T HN 0.020 nan 8.240 nan 0.000 0.472 281 N N 2.015 120.680 118.700 -0.059 0.000 2.968 281 N HA 0.168 4.908 4.740 -0.000 0.000 0.271 281 N C 0.967 176.412 175.510 -0.108 0.000 1.174 281 N CA -0.137 52.870 53.050 -0.072 0.000 1.096 281 N CB 0.417 38.872 38.487 -0.053 0.000 1.403 281 N HN 0.531 nan 8.380 nan 0.000 0.522 282 Q N 0.404 120.154 119.800 -0.083 0.000 2.124 282 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 282 Q C 1.355 177.304 176.000 -0.084 0.000 0.977 282 Q CA 1.297 57.057 55.803 -0.070 0.000 0.850 282 Q CB 0.139 28.850 28.738 -0.045 0.000 0.901 282 Q HN 0.673 nan 8.270 nan 0.000 0.429 283 E N 0.613 120.754 120.200 -0.098 0.000 2.031 283 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 283 E C 1.900 178.410 176.600 -0.151 0.000 0.994 283 E CA 1.154 57.493 56.400 -0.101 0.000 0.800 283 E CB -0.090 29.557 29.700 -0.089 0.000 0.752 283 E HN 0.345 nan 8.360 nan 0.000 0.447 284 A N 0.256 122.909 122.820 -0.279 0.000 1.968 284 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 284 A C 2.332 179.683 177.584 -0.388 0.000 1.169 284 A CA 1.508 53.267 52.037 -0.462 0.000 0.638 284 A CB -0.333 18.133 19.000 -0.890 0.000 0.812 284 A HN 0.264 nan 8.150 nan 0.000 0.446 285 S N -0.841 114.704 115.700 -0.258 0.000 2.387 285 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 285 S C 2.070 176.755 174.600 0.142 0.000 1.026 285 S CA 1.253 59.493 58.200 0.067 0.000 0.972 285 S CB -0.278 62.922 63.200 0.000 0.000 0.814 285 S HN 0.704 nan 8.310 nan 0.000 0.477 286 R N 1.504 122.016 120.500 0.020 0.000 2.081 286 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 286 R C 2.263 178.559 176.300 -0.007 0.000 1.131 286 R CA 1.426 57.525 56.100 -0.002 0.000 0.960 286 R CB -0.507 29.778 30.300 -0.025 0.000 0.856 286 R HN 0.343 nan 8.270 nan 0.000 0.436 287 A N 0.335 123.146 122.820 -0.015 0.000 1.902 287 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 287 A C 2.005 179.575 177.584 -0.025 0.000 1.181 287 A CA 1.309 53.329 52.037 -0.028 0.000 0.623 287 A CB -0.792 18.186 19.000 -0.036 0.000 0.818 287 A HN 0.548 nan 8.150 nan 0.000 0.443 288 F N 0.567 120.483 119.950 -0.057 0.000 2.113 288 F HA -0.126 4.401 4.527 0.000 0.000 0.297 288 F C 2.264 178.002 175.800 -0.102 0.000 1.103 288 F CA 1.900 59.863 58.000 -0.062 0.000 1.248 288 F CB -0.376 38.659 39.000 0.058 0.000 0.999 288 F HN 0.019 nan 8.300 nan 0.000 0.475 289 V N 0.781 120.664 119.914 -0.052 0.000 2.332 289 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 289 V C 2.395 178.371 176.094 -0.197 0.000 1.055 289 V CA 2.155 64.371 62.300 -0.139 0.000 1.038 289 V CB -0.648 31.129 31.823 -0.078 0.000 0.651 289 V HN 0.318 nan 8.190 nan 0.000 0.450 290 E N -0.520 119.590 120.200 -0.149 0.000 2.106 290 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 290 E C 2.057 178.542 176.600 -0.190 0.000 0.984 290 E CA 1.416 57.747 56.400 -0.116 0.000 0.806 290 E CB -0.489 29.169 29.700 -0.071 0.000 0.750 290 E HN 0.623 nan 8.360 nan 0.000 0.458 291 M N 0.630 120.046 119.600 -0.306 0.000 2.086 291 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 291 M C 2.174 178.149 176.300 -0.541 0.000 1.067 291 M CA 1.980 57.050 55.300 -0.384 0.000 1.116 291 M CB -0.080 32.247 32.600 -0.455 0.000 1.348 291 M HN 0.080 nan 8.290 nan 0.000 0.407 292 A N 0.643 122.958 122.820 -0.842 0.000 1.898 292 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 292 A C 2.247 179.495 177.584 -0.560 0.000 1.181 292 A CA 1.823 53.269 52.037 -0.985 0.000 0.620 292 A CB -0.857 17.518 19.000 -1.042 0.000 0.819 292 A HN 0.663 nan 8.150 nan 0.000 0.442 293 R N -0.102 120.288 120.500 -0.183 0.000 2.091 293 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 293 R C 2.167 178.561 176.300 0.157 0.000 1.136 293 R CA 1.939 58.144 56.100 0.176 0.000 0.959 293 R CB -0.298 30.098 30.300 0.159 0.000 0.856 293 R HN 0.729 nan 8.270 nan 0.000 0.437 294 E N -0.261 119.936 120.200 -0.004 0.000 2.072 294 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 294 E C 1.800 178.387 176.600 -0.021 0.000 0.985 294 E CA 1.087 57.484 56.400 -0.004 0.000 0.801 294 E CB -0.111 29.567 29.700 -0.037 0.000 0.750 294 E HN 0.466 nan 8.360 nan 0.000 0.452 295 A N 0.345 123.124 122.820 -0.068 0.000 1.877 295 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 295 A C 1.927 179.543 177.584 0.053 0.000 1.186 295 A CA 1.471 53.496 52.037 -0.019 0.000 0.620 295 A CB -0.913 18.117 19.000 0.050 0.000 0.822 295 A HN 0.401 nan 8.150 nan 0.000 0.443 296 Y N -0.322 120.068 120.300 0.149 0.000 2.181 296 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 296 Y C 2.519 178.316 175.900 -0.172 0.000 1.146 296 Y CA 1.150 59.350 58.100 0.167 0.000 1.164 296 Y CB -0.718 37.975 38.460 0.388 0.000 0.982 296 Y HN 0.346 nan 8.280 nan 0.000 0.515 297 R N 0.689 121.083 120.500 -0.177 0.000 2.081 297 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 297 R C 2.273 178.422 176.300 -0.252 0.000 1.131 297 R CA 1.400 57.242 56.100 -0.430 0.000 0.960 297 R CB -0.094 30.083 30.300 -0.205 0.000 0.856 297 R HN 0.281 nan 8.270 nan 0.000 0.436 298 R N -0.000 120.424 120.500 -0.126 0.000 2.083 298 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 298 R C 2.498 178.718 176.300 -0.133 0.000 1.137 298 R CA 1.743 57.782 56.100 -0.101 0.000 0.951 298 R CB -0.310 29.959 30.300 -0.052 0.000 0.851 298 R HN 0.276 nan 8.270 nan 0.000 0.434 299 R N 0.209 120.638 120.500 -0.117 0.000 2.081 299 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 299 R C 2.463 178.531 176.300 -0.387 0.000 1.131 299 R CA 1.320 57.334 56.100 -0.144 0.000 0.960 299 R CB -0.327 29.994 30.300 0.035 0.000 0.856 299 R HN 0.186 nan 8.270 nan 0.000 0.436 300 R N 0.987 121.077 120.500 -0.684 0.000 2.081 300 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 300 R C 1.103 177.144 176.300 -0.432 0.000 1.131 300 R CA 2.073 57.610 56.100 -0.939 0.000 0.960 300 R CB -0.155 29.592 30.300 -0.921 0.000 0.856 300 R HN 0.152 nan 8.270 nan 0.000 0.436 301 D N 1.012 121.236 120.400 -0.293 0.000 2.144 301 D HA -0.185 4.454 4.640 -0.000 0.000 0.199 301 D C 1.922 178.143 176.300 -0.132 0.000 0.984 301 D CA 0.897 54.796 54.000 -0.168 0.000 0.834 301 D CB -0.289 40.437 40.800 -0.124 0.000 0.955 301 D HN 0.281 nan 8.370 nan 0.000 0.465 302 L N 0.321 121.459 121.223 -0.141 0.000 2.012 302 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 302 L C 2.286 179.098 176.870 -0.096 0.000 1.073 302 L CA 1.064 55.842 54.840 -0.103 0.000 0.748 302 L CB -0.145 41.854 42.059 -0.099 0.000 0.891 302 L HN 0.064 nan 8.230 nan 0.000 0.431 303 L N -0.464 120.681 121.223 -0.130 0.000 2.005 303 L HA -0.248 4.092 4.340 -0.000 0.000 0.207 303 L C 2.594 179.439 176.870 -0.041 0.000 1.072 303 L CA 1.528 56.316 54.840 -0.087 0.000 0.744 303 L CB -0.250 41.744 42.059 -0.109 0.000 0.895 303 L HN 0.345 nan 8.230 nan 0.000 0.433 304 L N -0.448 120.736 121.223 -0.064 0.000 2.079 304 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 304 L C 2.492 179.358 176.870 -0.006 0.000 1.081 304 L CA 1.375 56.204 54.840 -0.019 0.000 0.752 304 L CB -0.461 41.578 42.059 -0.032 0.000 0.896 304 L HN 0.331 nan 8.230 nan 0.000 0.433 305 E N -0.157 120.028 120.200 -0.025 0.000 2.051 305 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 305 E C 2.205 178.805 176.600 -0.001 0.000 0.991 305 E CA 1.101 57.492 56.400 -0.014 0.000 0.799 305 E CB -0.318 29.367 29.700 -0.025 0.000 0.748 305 E HN 0.562 nan 8.360 nan 0.000 0.449 306 G N 1.256 110.053 108.800 -0.006 0.000 2.440 306 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 306 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 306 G C 1.584 176.511 174.900 0.046 0.000 1.154 306 G CA 0.536 45.639 45.100 0.006 0.000 0.767 306 G HN 0.081 nan 8.290 nan 0.000 0.552 307 L N 0.401 121.665 121.223 0.068 0.000 2.017 307 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 307 L C 3.223 180.137 176.870 0.073 0.000 1.073 307 L CA 1.708 56.614 54.840 0.111 0.000 0.745 307 L CB -0.981 41.150 42.059 0.121 0.000 0.894 307 L HN 0.191 nan 8.230 nan 0.000 0.432 308 T N 0.038 114.621 114.554 0.048 0.000 2.759 308 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 308 T C 1.938 176.656 174.700 0.030 0.000 1.042 308 T CA 1.348 63.468 62.100 0.034 0.000 1.140 308 T CB -0.268 68.614 68.868 0.023 0.000 0.864 308 T HN 0.460 nan 8.240 nan 0.000 0.455 309 A N 0.956 123.793 122.820 0.029 0.000 2.015 309 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 309 A C 2.156 179.760 177.584 0.032 0.000 1.163 309 A CA 0.905 52.957 52.037 0.024 0.000 0.646 309 A CB -0.625 18.385 19.000 0.018 0.000 0.806 309 A HN 0.507 nan 8.150 nan 0.000 0.448 310 L N -1.575 119.677 121.223 0.049 0.000 2.492 310 L HA 0.154 4.494 4.340 -0.000 0.000 0.223 310 L C 1.762 178.657 176.870 0.042 0.000 1.132 310 L CA 0.601 55.476 54.840 0.058 0.000 0.850 310 L CB -0.232 41.888 42.059 0.101 0.000 0.966 310 L HN 0.576 nan 8.230 nan 0.000 0.454 311 G N 0.525 109.346 108.800 0.035 0.000 2.157 311 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 311 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 311 G C 0.176 175.088 174.900 0.020 0.000 0.979 311 G CA -0.239 44.874 45.100 0.023 0.000 0.650 311 G HN 0.210 nan 8.290 nan 0.000 0.529 312 L N 0.493 121.735 121.223 0.032 0.000 2.349 312 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 312 L C 0.836 177.727 176.870 0.035 0.000 1.115 312 L CA -0.312 54.542 54.840 0.023 0.000 0.820 312 L CB 0.991 43.072 42.059 0.037 0.000 1.135 312 L HN -0.000 nan 8.230 nan 0.000 0.445 313 K N 2.620 123.035 120.400 0.026 0.000 2.156 313 K HA 0.762 5.082 4.320 -0.000 0.000 0.271 313 K C -0.775 175.878 176.600 0.088 0.000 0.995 313 K CA -0.471 55.845 56.287 0.048 0.000 0.890 313 K CB 1.884 34.406 32.500 0.036 0.000 1.073 313 K HN 0.689 nan 8.250 nan 0.000 0.454 314 A N 2.329 125.213 122.820 0.107 0.000 2.488 314 A HA 0.364 4.684 4.320 -0.000 0.000 0.298 314 A C -0.907 176.760 177.584 0.138 0.000 1.044 314 A CA -0.722 51.406 52.037 0.153 0.000 0.693 314 A CB 1.223 20.307 19.000 0.140 0.000 1.272 314 A HN 0.415 nan 8.150 nan 0.000 0.402 315 V N 2.597 122.619 119.914 0.180 0.000 2.572 315 V HA 0.187 4.307 4.120 -0.000 0.000 0.291 315 V C 1.130 177.311 176.094 0.146 0.000 1.039 315 V CA -0.049 62.332 62.300 0.136 0.000 1.055 315 V CB 0.913 32.829 31.823 0.155 0.000 0.969 315 V HN 0.921 nan 8.190 nan 0.000 0.482 316 R N 7.180 127.744 120.500 0.107 0.000 2.484 316 R HA 0.182 4.522 4.340 -0.000 0.000 0.293 316 R C -2.239 174.143 176.300 0.138 0.000 1.023 316 R CA -0.842 55.321 56.100 0.105 0.000 1.037 316 R CB 0.528 30.873 30.300 0.076 0.000 0.951 316 R HN 0.553 nan 8.270 nan 0.000 0.418 317 P HA 0.183 nan 4.420 nan 0.000 0.290 317 P C -0.818 176.614 177.300 0.220 0.000 1.275 317 P CA -0.530 62.681 63.100 0.186 0.000 0.841 317 P CB 2.046 33.875 31.700 0.215 0.000 1.042 318 S N -0.066 115.741 115.700 0.178 0.000 2.523 318 S HA 0.400 4.870 4.470 -0.000 0.000 0.217 318 S C 0.764 175.394 174.600 0.050 0.000 0.996 318 S CA 0.192 58.496 58.200 0.174 0.000 0.921 318 S CB 0.188 63.450 63.200 0.104 0.000 0.829 318 S HN 0.836 nan 8.310 nan 0.000 0.495 319 G N -0.268 108.527 108.800 -0.009 0.000 2.645 319 G HA2 0.681 4.641 3.960 -0.000 0.000 0.292 319 G HA3 0.681 4.641 3.960 -0.000 0.000 0.292 319 G C -0.481 174.270 174.900 -0.248 0.000 1.415 319 G CA 0.047 44.989 45.100 -0.264 0.000 0.785 319 G HN 0.706 nan 8.290 nan 0.000 0.483 320 A N -1.348 121.194 122.820 -0.463 0.000 6.226 320 A HA 0.225 4.545 4.320 -0.000 0.000 0.254 320 A C 0.142 177.227 177.584 -0.832 0.000 2.160 320 A CA 1.642 53.101 52.037 -0.964 0.000 0.705 320 A CB -1.487 16.719 19.000 -1.323 0.000 1.036 320 A HN 2.362 nan 8.150 nan 0.000 0.366 321 F N -3.225 116.027 119.950 -1.163 0.000 2.619 321 F HA 0.728 5.255 4.527 -0.000 0.000 0.382 321 F C -0.595 174.181 175.800 -1.706 0.000 1.466 321 F CA -0.985 56.049 58.000 -1.610 0.000 1.137 321 F CB -0.483 37.589 39.000 -1.547 0.000 1.205 321 F HN 0.502 nan 8.300 nan 0.000 0.525 322 Y N -0.565 119.442 120.300 -0.488 0.000 2.512 322 Y HA 0.768 5.318 4.550 -0.000 0.000 0.348 322 Y C -0.604 175.322 175.900 0.043 0.000 0.990 322 Y CA -2.183 55.801 58.100 -0.193 0.000 1.033 322 Y CB 2.365 40.667 38.460 -0.263 0.000 1.259 322 Y HN -0.075 nan 8.280 nan 0.000 0.461 323 V N 3.854 123.933 119.914 0.275 0.000 2.525 323 V HA 0.338 4.458 4.120 -0.000 0.000 0.299 323 V C -0.696 175.473 176.094 0.126 0.000 1.034 323 V CA -0.891 61.543 62.300 0.223 0.000 0.863 323 V CB 2.041 34.021 31.823 0.262 0.000 0.999 323 V HN 0.613 nan 8.190 nan 0.000 0.423 324 L N 5.581 126.853 121.223 0.083 0.000 2.261 324 L HA 0.535 4.875 4.340 -0.000 0.000 0.289 324 L C -0.110 176.890 176.870 0.217 0.000 1.059 324 L CA 0.017 54.890 54.840 0.055 0.000 0.816 324 L CB 1.191 43.183 42.059 -0.111 0.000 1.191 324 L HN 0.669 nan 8.230 nan 0.000 0.431 325 M N 4.151 123.869 119.600 0.196 0.000 2.268 325 M HA 0.242 4.722 4.480 -0.000 0.000 0.344 325 M C -0.378 175.976 176.300 0.088 0.000 1.106 325 M CA -0.594 54.802 55.300 0.160 0.000 1.010 325 M CB 1.494 34.141 32.600 0.078 0.000 1.649 325 M HN 0.394 nan 8.290 nan 0.000 0.443 326 D N 2.947 123.336 120.400 -0.019 0.000 2.417 326 D HA 0.034 4.674 4.640 -0.000 0.000 0.250 326 D C 0.630 176.806 176.300 -0.206 0.000 1.166 326 D CA 0.328 54.124 54.000 -0.340 0.000 0.881 326 D CB 1.262 41.928 40.800 -0.224 0.000 1.164 326 D HN 0.785 nan 8.370 nan 0.000 0.467 327 T N -0.307 114.114 114.554 -0.222 0.000 3.069 327 T HA 0.033 4.383 4.350 -0.000 0.000 0.252 327 T C 1.798 176.432 174.700 -0.110 0.000 1.053 327 T CA -0.118 61.897 62.100 -0.142 0.000 0.964 327 T CB 0.090 68.896 68.868 -0.105 0.000 1.005 327 T HN 0.189 nan 8.240 nan 0.000 0.532 328 S N 3.137 118.769 115.700 -0.113 0.000 2.389 328 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 328 S C -0.162 174.404 174.600 -0.057 0.000 1.052 328 S CA 1.716 59.872 58.200 -0.073 0.000 1.053 328 S CB -1.102 62.058 63.200 -0.068 0.000 0.886 328 S HN 0.635 nan 8.310 nan 0.000 0.456 329 P HA 0.153 nan 4.420 nan 0.000 0.241 329 P C 0.928 178.198 177.300 -0.050 0.000 1.191 329 P CA 0.731 63.803 63.100 -0.047 0.000 0.771 329 P CB -0.081 31.593 31.700 -0.043 0.000 0.929 330 I N -1.436 119.095 120.570 -0.066 0.000 3.339 330 I HA 0.263 4.433 4.170 -0.000 0.000 0.285 330 I C 1.063 177.154 176.117 -0.044 0.000 1.201 330 I CA 0.149 61.410 61.300 -0.064 0.000 1.434 330 I CB 0.176 38.114 38.000 -0.103 0.000 1.152 330 I HN -0.122 nan 8.210 nan 0.000 0.443 331 A N 0.664 123.460 122.820 -0.040 0.000 2.586 331 A HA 0.448 4.768 4.320 -0.000 0.000 0.291 331 A C -2.215 175.356 177.584 -0.021 0.000 1.062 331 A CA -0.625 51.397 52.037 -0.025 0.000 0.666 331 A CB 0.162 19.151 19.000 -0.019 0.000 1.281 331 A HN -0.154 nan 8.150 nan 0.000 0.421 332 P HA -0.023 nan 4.420 nan 0.000 0.222 332 P C -0.028 177.272 177.300 -0.000 0.000 1.147 332 P CA 2.012 65.107 63.100 -0.008 0.000 0.790 332 P CB -0.200 31.496 31.700 -0.006 0.000 0.780 333 D N -2.415 117.990 120.400 0.008 0.000 2.596 333 D HA 0.088 4.728 4.640 -0.000 0.000 0.262 333 D C 1.018 177.339 176.300 0.034 0.000 1.210 333 D CA -0.772 53.247 54.000 0.031 0.000 0.873 333 D CB 0.479 41.303 40.800 0.040 0.000 1.408 333 D HN -0.263 nan 8.370 nan 0.000 0.441 334 E N 0.554 120.794 120.200 0.067 0.000 2.268 334 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 334 E C 1.435 178.065 176.600 0.051 0.000 0.995 334 E CA 0.983 57.418 56.400 0.058 0.000 0.836 334 E CB -0.407 29.347 29.700 0.089 0.000 0.763 334 E HN 0.360 nan 8.360 nan 0.000 0.491 335 V N 1.540 121.489 119.914 0.059 0.000 2.407 335 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 335 V C 2.643 178.754 176.094 0.029 0.000 1.041 335 V CA 1.524 63.852 62.300 0.047 0.000 1.040 335 V CB -0.510 31.343 31.823 0.050 0.000 0.671 335 V HN 0.180 nan 8.190 nan 0.000 0.455 336 R N 0.548 121.062 120.500 0.023 0.000 2.096 336 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 336 R C 2.449 178.751 176.300 0.003 0.000 1.127 336 R CA 1.456 57.563 56.100 0.012 0.000 0.968 336 R CB -0.609 29.696 30.300 0.008 0.000 0.861 336 R HN 0.524 nan 8.270 nan 0.000 0.440 337 A N 1.484 124.303 122.820 -0.003 0.000 1.902 337 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 337 A C 2.404 179.976 177.584 -0.020 0.000 1.181 337 A CA 1.698 53.720 52.037 -0.025 0.000 0.623 337 A CB -0.573 18.403 19.000 -0.040 0.000 0.818 337 A HN 0.381 nan 8.150 nan 0.000 0.443 338 A N -0.404 122.416 122.820 0.001 0.000 1.933 338 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 338 A C 1.894 179.491 177.584 0.021 0.000 1.175 338 A CA 1.724 53.770 52.037 0.015 0.000 0.628 338 A CB -0.457 18.563 19.000 0.033 0.000 0.814 338 A HN 0.626 nan 8.150 nan 0.000 0.444 339 E N -0.768 119.443 120.200 0.018 0.000 2.107 339 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 339 E C 2.341 178.951 176.600 0.018 0.000 0.982 339 E CA 0.674 57.086 56.400 0.020 0.000 0.809 339 E CB -0.084 29.627 29.700 0.017 0.000 0.756 339 E HN 0.468 nan 8.360 nan 0.000 0.459 340 R N 0.288 120.793 120.500 0.009 0.000 2.066 340 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 340 R C 2.389 178.700 176.300 0.018 0.000 1.131 340 R CA 0.911 57.016 56.100 0.008 0.000 0.955 340 R CB -0.269 30.027 30.300 -0.007 0.000 0.851 340 R HN 0.212 nan 8.270 nan 0.000 0.432 341 L N 0.719 121.950 121.223 0.012 0.000 2.083 341 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 341 L C 2.477 179.389 176.870 0.070 0.000 1.083 341 L CA 1.050 55.915 54.840 0.043 0.000 0.752 341 L CB -0.417 41.657 42.059 0.023 0.000 0.899 341 L HN 0.254 nan 8.230 nan 0.000 0.433 342 L N -0.464 120.790 121.223 0.053 0.000 2.042 342 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 342 L C 2.769 179.666 176.870 0.046 0.000 1.076 342 L CA 1.177 56.048 54.840 0.052 0.000 0.749 342 L CB -0.433 41.650 42.059 0.040 0.000 0.893 342 L HN 0.320 nan 8.230 nan 0.000 0.432 343 E N -0.034 120.189 120.200 0.038 0.000 2.153 343 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 343 E C 2.080 178.704 176.600 0.040 0.000 0.988 343 E CA 1.264 57.684 56.400 0.033 0.000 0.811 343 E CB -0.114 29.601 29.700 0.026 0.000 0.746 343 E HN 0.463 nan 8.360 nan 0.000 0.466 344 A N -0.008 122.844 122.820 0.054 0.000 2.206 344 A HA 0.236 4.556 4.320 -0.000 0.000 0.211 344 A C 1.611 179.238 177.584 0.071 0.000 1.158 344 A CA 1.120 53.198 52.037 0.068 0.000 0.761 344 A CB -0.106 18.952 19.000 0.097 0.000 0.801 344 A HN 0.281 nan 8.150 nan 0.000 0.473 345 G N -1.966 106.874 108.800 0.067 0.000 2.131 345 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.201 345 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.201 345 G C -0.170 174.773 174.900 0.073 0.000 1.000 345 G CA -0.034 45.101 45.100 0.057 0.000 0.680 345 G HN 0.961 nan 8.290 nan 0.000 0.514 346 V N 0.254 120.234 119.914 0.109 0.000 2.525 346 V HA 0.806 4.926 4.120 -0.000 0.000 0.299 346 V C 0.424 176.597 176.094 0.131 0.000 1.034 346 V CA -0.462 61.924 62.300 0.142 0.000 0.863 346 V CB 1.685 33.683 31.823 0.291 0.000 0.999 346 V HN 1.243 nan 8.190 nan 0.000 0.423 347 A N 5.162 128.045 122.820 0.105 0.000 2.269 347 A HA 0.817 5.137 4.320 -0.000 0.000 0.302 347 A C -0.157 177.494 177.584 0.112 0.000 1.266 347 A CA -0.337 51.755 52.037 0.092 0.000 0.894 347 A CB 0.772 19.814 19.000 0.070 0.000 1.147 347 A HN 1.398 nan 8.150 nan 0.000 0.537 348 V N 0.810 120.789 119.914 0.109 0.000 3.126 348 V HA 0.828 4.948 4.120 -0.000 0.000 0.314 348 V C -0.370 175.781 176.094 0.096 0.000 1.138 348 V CA -0.854 61.514 62.300 0.114 0.000 1.034 348 V CB 1.659 33.549 31.823 0.111 0.000 1.075 348 V HN 0.505 nan 8.190 nan 0.000 0.442 349 V N 3.526 123.500 119.914 0.100 0.000 2.370 349 V HA 0.447 4.567 4.120 -0.000 0.000 0.279 349 V C -2.120 174.042 176.094 0.113 0.000 1.029 349 V CA -1.587 60.785 62.300 0.119 0.000 0.870 349 V CB 1.362 33.287 31.823 0.170 0.000 0.984 349 V HN 0.936 nan 8.190 nan 0.000 0.451 350 P HA 0.111 nan 4.420 nan 0.000 0.271 350 P C 0.864 178.256 177.300 0.154 0.000 1.216 350 P CA 0.042 63.202 63.100 0.101 0.000 0.776 350 P CB 1.098 32.847 31.700 0.082 0.000 0.881 351 G N 1.920 110.778 108.800 0.098 0.000 2.848 351 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.208 351 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.208 351 G C 1.153 176.058 174.900 0.008 0.000 1.152 351 G CA 0.376 45.523 45.100 0.078 0.000 0.789 351 G HN 0.442 nan 8.290 nan 0.000 0.531 352 T N 1.496 116.056 114.554 0.009 0.000 2.597 352 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 352 T C 1.799 176.415 174.700 -0.141 0.000 1.053 352 T CA 1.602 63.674 62.100 -0.047 0.000 1.165 352 T CB -0.269 68.668 68.868 0.114 0.000 0.863 352 T HN 0.219 nan 8.240 nan 0.000 0.427 353 D N 0.534 120.862 120.400 -0.120 0.000 2.309 353 D HA -0.005 4.635 4.640 -0.000 0.000 0.212 353 D C 1.253 177.347 176.300 -0.344 0.000 0.968 353 D CA 0.709 54.558 54.000 -0.252 0.000 0.882 353 D CB -0.311 40.243 40.800 -0.411 0.000 0.918 353 D HN 0.470 nan 8.370 nan 0.000 0.503 354 F N -0.340 119.430 119.950 -0.301 0.000 2.727 354 F HA 0.401 4.928 4.527 -0.000 0.000 0.302 354 F C 1.466 176.740 175.800 -0.877 0.000 1.097 354 F CA 0.150 57.874 58.000 -0.459 0.000 1.330 354 F CB 0.140 38.918 39.000 -0.370 0.000 1.084 354 F HN -0.124 nan 8.300 nan 0.000 0.578 355 A N 0.491 122.912 122.820 -0.664 0.000 2.969 355 A HA -0.067 4.253 4.320 -0.000 0.000 0.252 355 A C 0.814 177.910 177.584 -0.813 0.000 1.377 355 A CA 0.569 52.061 52.037 -0.908 0.000 0.859 355 A CB -2.068 16.497 19.000 -0.725 0.000 1.077 355 A HN 0.659 nan 8.150 nan 0.000 0.671 356 A N -0.012 122.404 122.820 -0.673 0.000 3.173 356 A HA 0.639 4.959 4.320 -0.000 0.000 0.304 356 A C -0.014 177.437 177.584 -0.223 0.000 1.318 356 A CA -0.454 51.348 52.037 -0.393 0.000 1.069 356 A CB -0.613 18.159 19.000 -0.380 0.000 1.147 356 A HN 0.846 nan 8.150 nan 0.000 0.547 357 F N 0.380 120.391 119.950 0.102 0.000 2.563 357 F HA 0.397 4.924 4.527 -0.000 0.000 0.363 357 F C 1.639 177.559 175.800 0.201 0.000 1.123 357 F CA 1.295 59.367 58.000 0.121 0.000 1.307 357 F CB 0.465 39.512 39.000 0.078 0.000 1.115 357 F HN 0.646 nan 8.300 nan 0.000 0.592 358 G N 1.054 110.021 108.800 0.279 0.000 2.143 358 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 358 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 358 G C -0.314 174.507 174.900 -0.132 0.000 0.981 358 G CA 0.061 45.210 45.100 0.082 0.000 0.665 358 G HN 0.855 nan 8.290 nan 0.000 0.528 359 H N -2.178 116.916 119.070 0.040 0.000 2.907 359 H HA 0.801 5.357 4.556 -0.000 0.000 0.361 359 H C -0.705 174.608 175.328 -0.025 0.000 1.194 359 H CA -0.565 55.485 56.048 0.004 0.000 1.152 359 H CB 2.461 32.218 29.762 -0.008 0.000 1.867 359 H HN 0.305 nan 8.280 nan 0.000 0.561 360 V N 1.105 121.078 119.914 0.097 0.000 2.760 360 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 360 V C -0.750 175.347 176.094 0.005 0.000 1.077 360 V CA -0.778 61.542 62.300 0.034 0.000 0.910 360 V CB 2.174 34.004 31.823 0.011 0.000 1.008 360 V HN 0.639 nan 8.190 nan 0.000 0.424 361 R N 4.832 125.299 120.500 -0.054 0.000 2.297 361 R HA 0.652 4.992 4.340 -0.000 0.000 0.308 361 R C -1.421 174.906 176.300 0.046 0.000 1.029 361 R CA -0.440 55.601 56.100 -0.098 0.000 0.929 361 R CB 0.823 30.920 30.300 -0.339 0.000 1.046 361 R HN 0.639 nan 8.270 nan 0.000 0.461 362 L N 2.535 123.830 121.223 0.121 0.000 2.334 362 L HA 0.403 4.743 4.340 -0.000 0.000 0.276 362 L C -0.111 176.909 176.870 0.251 0.000 1.014 362 L CA -0.732 54.226 54.840 0.197 0.000 0.815 362 L CB 1.985 44.187 42.059 0.237 0.000 1.268 362 L HN 0.620 nan 8.230 nan 0.000 0.428 363 S N 1.358 117.196 115.700 0.230 0.000 2.473 363 S HA 0.434 4.904 4.470 -0.000 0.000 0.307 363 S C -0.346 174.309 174.600 0.091 0.000 1.094 363 S CA -0.631 57.671 58.200 0.170 0.000 1.070 363 S CB 0.974 64.313 63.200 0.232 0.000 1.019 363 S HN 0.518 nan 8.310 nan 0.000 0.480 364 Y N 2.309 122.606 120.300 -0.006 0.000 2.756 364 Y HA 0.680 5.230 4.550 -0.000 0.000 0.300 364 Y C 0.712 176.545 175.900 -0.112 0.000 1.113 364 Y CA -0.707 57.369 58.100 -0.041 0.000 1.291 364 Y CB -0.452 38.004 38.460 -0.007 0.000 1.175 364 Y HN 0.696 nan 8.280 nan 0.000 0.534 365 A N 1.043 123.690 122.820 -0.288 0.000 3.105 365 A HA 0.489 4.809 4.320 -0.000 0.000 0.272 365 A C 0.278 177.741 177.584 -0.202 0.000 1.466 365 A CA 0.129 51.926 52.037 -0.400 0.000 1.101 365 A CB -1.161 17.246 19.000 -0.988 0.000 1.065 365 A HN 0.452 nan 8.150 nan 0.000 0.643 366 T N -1.770 112.735 114.554 -0.083 0.000 2.804 366 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 366 T C 0.227 174.889 174.700 -0.063 0.000 1.099 366 T CA -0.144 61.908 62.100 -0.080 0.000 1.011 366 T CB 0.985 69.829 68.868 -0.040 0.000 1.291 366 T HN 0.577 nan 8.240 nan 0.000 0.523 367 S N -0.305 115.353 115.700 -0.069 0.000 2.592 367 S HA 0.230 4.700 4.470 -0.000 0.000 0.271 367 S C 0.934 175.513 174.600 -0.036 0.000 1.326 367 S CA -0.601 57.563 58.200 -0.058 0.000 1.024 367 S CB 0.516 63.682 63.200 -0.058 0.000 0.921 367 S HN 0.736 nan 8.310 nan 0.000 0.527 368 E N 1.119 121.300 120.200 -0.032 0.000 2.118 368 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 368 E C 1.682 178.258 176.600 -0.040 0.000 0.992 368 E CA 1.658 58.038 56.400 -0.034 0.000 0.804 368 E CB -0.192 29.488 29.700 -0.032 0.000 0.741 368 E HN 0.757 nan 8.360 nan 0.000 0.458 369 E N 0.852 121.030 120.200 -0.036 0.000 2.058 369 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 369 E C 1.735 178.309 176.600 -0.042 0.000 0.997 369 E CA 0.945 57.324 56.400 -0.036 0.000 0.801 369 E CB -0.214 29.468 29.700 -0.030 0.000 0.746 369 E HN 0.174 nan 8.360 nan 0.000 0.450 370 N N -0.004 118.671 118.700 -0.041 0.000 2.216 370 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 370 N C 1.748 177.221 175.510 -0.062 0.000 1.017 370 N CA 0.667 53.690 53.050 -0.044 0.000 0.861 370 N CB -0.070 38.396 38.487 -0.035 0.000 0.986 370 N HN 0.185 nan 8.380 nan 0.000 0.428 371 L N 0.565 121.753 121.223 -0.059 0.000 2.141 371 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 371 L C 2.406 179.206 176.870 -0.117 0.000 1.094 371 L CA 0.821 55.613 54.840 -0.081 0.000 0.763 371 L CB -0.178 41.849 42.059 -0.054 0.000 0.908 371 L HN 0.072 nan 8.230 nan 0.000 0.437 372 R N 0.186 120.632 120.500 -0.090 0.000 2.066 372 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 372 R C 2.356 178.591 176.300 -0.108 0.000 1.131 372 R CA 1.238 57.284 56.100 -0.090 0.000 0.955 372 R CB -0.122 30.141 30.300 -0.061 0.000 0.851 372 R HN 0.269 nan 8.270 nan 0.000 0.432 373 K N 0.252 120.595 120.400 -0.095 0.000 2.032 373 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 373 K C 2.180 178.693 176.600 -0.146 0.000 1.048 373 K CA 1.476 57.709 56.287 -0.091 0.000 0.927 373 K CB -0.210 32.252 32.500 -0.064 0.000 0.712 373 K HN 0.152 nan 8.250 nan 0.000 0.441 374 A N 1.515 124.211 122.820 -0.207 0.000 1.908 374 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 374 A C 2.143 179.312 177.584 -0.693 0.000 1.181 374 A CA 1.358 53.164 52.037 -0.384 0.000 0.627 374 A CB -0.675 18.099 19.000 -0.376 0.000 0.818 374 A HN 0.178 nan 8.150 nan 0.000 0.445 375 L N -1.034 119.882 121.223 -0.512 0.000 2.093 375 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 375 L C 2.594 179.345 176.870 -0.199 0.000 1.085 375 L CA 1.555 56.143 54.840 -0.419 0.000 0.755 375 L CB -0.518 41.413 42.059 -0.214 0.000 0.904 375 L HN 0.478 nan 8.230 nan 0.000 0.435 376 E N -0.148 119.968 120.200 -0.140 0.000 2.077 376 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 376 E C 2.287 178.877 176.600 -0.016 0.000 0.989 376 E CA 1.039 57.405 56.400 -0.056 0.000 0.800 376 E CB 0.071 29.742 29.700 -0.048 0.000 0.746 376 E HN 0.412 nan 8.360 nan 0.000 0.452 377 R N -0.055 120.425 120.500 -0.033 0.000 2.148 377 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 377 R C 1.989 178.416 176.300 0.212 0.000 1.088 377 R CA 0.713 56.850 56.100 0.062 0.000 0.985 377 R CB -0.371 29.966 30.300 0.062 0.000 0.880 377 R HN 0.183 nan 8.270 nan 0.000 0.451 378 F N 1.852 121.809 119.950 0.012 0.000 2.186 378 F HA 0.060 4.587 4.527 -0.000 0.000 0.299 378 F C 2.682 178.488 175.800 0.009 0.000 1.090 378 F CA 0.225 58.233 58.000 0.012 0.000 1.307 378 F CB -1.163 37.846 39.000 0.014 0.000 1.019 378 F HN 0.046 nan 8.300 nan 0.000 0.489 379 A N 0.706 123.651 122.820 0.209 0.000 1.892 379 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 379 A C 2.455 180.090 177.584 0.084 0.000 1.188 379 A CA 1.686 53.790 52.037 0.112 0.000 0.631 379 A CB -0.650 18.387 19.000 0.062 0.000 0.822 379 A HN 0.287 nan 8.150 nan 0.000 0.447 380 R N -0.834 119.715 120.500 0.082 0.000 2.081 380 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 380 R C 1.899 178.234 176.300 0.058 0.000 1.131 380 R CA 1.428 57.564 56.100 0.059 0.000 0.960 380 R CB -0.888 29.444 30.300 0.053 0.000 0.856 380 R HN 0.375 nan 8.270 nan 0.000 0.436 381 V N 1.636 121.596 119.914 0.077 0.000 3.026 381 V HA -0.106 4.014 4.120 -0.000 0.000 0.265 381 V C 1.378 177.490 176.094 0.030 0.000 1.121 381 V CA 1.173 63.503 62.300 0.050 0.000 1.142 381 V CB -0.411 31.441 31.823 0.048 0.000 0.730 381 V HN 0.114 nan 8.190 nan 0.000 0.503 382 L N 0.000 121.248 121.223 0.041 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.856 54.840 0.026 0.000 0.813 382 L CB 0.000 42.078 42.059 0.032 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502