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 1y54_1_A DATA FIRST_RESID 3 DATA SEQUENCE VSEKQLAEVV ANTITPLMKA QSVPGMAVAV IYQGKPHYYT FGKADIAANK DATA SEQUENCE PVTPQTLFEL GSISKTFTGV LGGDAIARGE ISLDDPVTRY WPQLTGKQWQ DATA SEQUENCE GIRMLDLATY TAGGLPLQVP DEVTDNASLV RFYQNWQPQW KPGTTRLYAN DATA SEQUENCE ASIGLFGALA VKPSGMPYEQ AMTTRVLKPL KLDHTWINVP KAEEAHYAWG DATA SEQUENCE YRDGKAVRVS PGMLDAQAYG VKTNVQDMAN WVMANMAPEN VADASLKQGI DATA SEQUENCE ALAQSRYWRI GSMYQGLGWE MLNWPVEANT VVEGSDSKVA LAPLPVVEVN DATA SEQUENCE PPAPPVKASW VHKTGSTGGF GSYVAFIPEK QIGIVMLANT SYPNPARVEA DATA SEQUENCE AYHILEALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.229 176.094 0.225 0.000 1.182 3 V CA 0.000 62.469 62.300 0.282 0.000 1.235 3 V CB 0.000 31.936 31.823 0.188 0.000 1.184 4 S N 1.434 117.195 115.700 0.101 0.000 4.127 4 S HA -0.107 4.380 4.470 0.029 0.000 0.455 4 S C 0.354 174.964 174.600 0.016 0.000 0.855 4 S CA 0.854 59.082 58.200 0.047 0.000 1.225 4 S CB -1.118 62.103 63.200 0.035 0.000 0.798 4 S HN 0.847 nan 8.310 nan 0.000 0.588 5 E N 1.448 121.658 120.200 0.016 0.000 2.160 5 E HA -0.126 4.242 4.350 0.029 0.000 0.195 5 E C 1.984 178.595 176.600 0.018 0.000 0.991 5 E CA 1.332 57.731 56.400 -0.002 0.000 0.810 5 E CB 0.128 29.840 29.700 0.021 0.000 0.742 5 E HN 0.543 nan 8.360 nan 0.000 0.466 6 K N 0.245 120.656 120.400 0.018 0.000 2.001 6 K HA -0.102 4.235 4.320 0.029 0.000 0.208 6 K C 2.079 178.675 176.600 -0.006 0.000 1.048 6 K CA 1.262 57.559 56.287 0.016 0.000 0.932 6 K CB -0.581 31.929 32.500 0.017 0.000 0.715 6 K HN 0.331 nan 8.250 nan 0.000 0.437 7 Q N 0.588 120.379 119.800 -0.015 0.000 2.234 7 Q HA -0.117 4.241 4.340 0.029 0.000 0.206 7 Q C 2.053 178.008 176.000 -0.076 0.000 0.980 7 Q CA 0.825 56.606 55.803 -0.036 0.000 0.869 7 Q CB -0.223 28.498 28.738 -0.029 0.000 0.912 7 Q HN 0.112 nan 8.270 nan 0.000 0.436 8 L N 0.223 121.396 121.223 -0.084 0.000 2.162 8 L HA 0.079 4.436 4.340 0.029 0.000 0.205 8 L C 2.087 178.829 176.870 -0.213 0.000 1.086 8 L CA 1.543 56.298 54.840 -0.141 0.000 0.778 8 L CB -0.493 41.491 42.059 -0.125 0.000 0.928 8 L HN 0.062 nan 8.230 nan 0.000 0.446 9 A N -0.936 121.809 122.820 -0.126 0.000 2.066 9 A HA -0.109 4.229 4.320 0.029 0.000 0.218 9 A C 2.066 179.564 177.584 -0.144 0.000 1.157 9 A CA 1.243 53.168 52.037 -0.187 0.000 0.670 9 A CB -0.420 18.613 19.000 0.054 0.000 0.804 9 A HN 0.585 nan 8.150 nan 0.000 0.453 10 E N -0.332 119.814 120.200 -0.090 0.000 2.046 10 E HA -0.103 4.265 4.350 0.029 0.000 0.190 10 E C 1.956 178.500 176.600 -0.094 0.000 0.982 10 E CA 1.156 57.519 56.400 -0.062 0.000 0.800 10 E CB -0.315 29.363 29.700 -0.037 0.000 0.756 10 E HN 0.345 nan 8.360 nan 0.000 0.449 11 V N 1.338 121.168 119.914 -0.140 0.000 2.287 11 V HA -0.234 3.903 4.120 0.029 0.000 0.248 11 V C 2.362 178.341 176.094 -0.191 0.000 1.053 11 V CA 1.408 63.602 62.300 -0.178 0.000 1.027 11 V CB -0.232 31.455 31.823 -0.226 0.000 0.646 11 V HN 0.114 nan 8.190 nan 0.000 0.447 12 V N -0.079 119.696 119.914 -0.232 0.000 2.323 12 V HA -0.190 3.947 4.120 0.029 0.000 0.244 12 V C 2.657 178.689 176.094 -0.103 0.000 1.041 12 V CA 1.862 64.041 62.300 -0.203 0.000 1.025 12 V CB -1.089 30.496 31.823 -0.396 0.000 0.656 12 V HN 0.556 nan 8.190 nan 0.000 0.451 13 A N 0.734 123.543 122.820 -0.019 0.000 1.908 13 A HA -0.234 4.104 4.320 0.029 0.000 0.218 13 A C 1.954 179.520 177.584 -0.031 0.000 1.181 13 A CA 2.151 54.250 52.037 0.103 0.000 0.627 13 A CB -0.709 18.398 19.000 0.179 0.000 0.818 13 A HN 0.600 nan 8.150 nan 0.000 0.445 14 N N -0.440 118.239 118.700 -0.035 0.000 2.512 14 N HA -0.052 4.706 4.740 0.029 0.000 0.183 14 N C 1.372 176.861 175.510 -0.034 0.000 1.073 14 N CA 1.593 54.627 53.050 -0.026 0.000 0.911 14 N CB -0.414 38.067 38.487 -0.009 0.000 0.964 14 N HN 0.560 nan 8.380 nan 0.000 0.447 15 T N 0.164 114.676 114.554 -0.069 0.000 2.953 15 T HA 0.154 4.521 4.350 0.029 0.000 0.247 15 T C 1.838 176.466 174.700 -0.119 0.000 1.029 15 T CA 0.240 62.311 62.100 -0.049 0.000 1.144 15 T CB 0.178 69.019 68.868 -0.044 0.000 0.870 15 T HN -0.007 nan 8.240 nan 0.000 0.446 16 I N 1.735 122.163 120.570 -0.238 0.000 2.333 16 I HA -0.039 4.149 4.170 0.029 0.000 0.246 16 I C 2.642 178.515 176.117 -0.407 0.000 1.106 16 I CA 1.226 62.289 61.300 -0.396 0.000 1.411 16 I CB -1.030 36.515 38.000 -0.757 0.000 1.082 16 I HN 0.169 nan 8.210 nan 0.000 0.420 17 T N 1.647 115.978 114.554 -0.371 0.000 2.684 17 T HA -0.108 4.260 4.350 0.029 0.000 0.267 17 T C -0.359 174.259 174.700 -0.138 0.000 1.036 17 T CA 1.844 63.817 62.100 -0.212 0.000 1.148 17 T CB -1.342 67.477 68.868 -0.081 0.000 0.863 17 T HN 0.237 nan 8.240 nan 0.000 0.436 18 P HA 0.011 nan 4.420 nan 0.000 0.216 18 P C 1.798 179.035 177.300 -0.105 0.000 1.153 18 P CA 0.654 63.707 63.100 -0.079 0.000 0.848 18 P CB -0.239 31.430 31.700 -0.051 0.000 0.787 19 L N -1.187 119.954 121.223 -0.138 0.000 1.963 19 L HA -0.244 4.114 4.340 0.029 0.000 0.220 19 L C 2.468 179.193 176.870 -0.242 0.000 1.076 19 L CA 2.210 56.935 54.840 -0.192 0.000 0.772 19 L CB -0.651 41.277 42.059 -0.218 0.000 0.892 19 L HN -0.040 nan 8.230 nan 0.000 0.435 20 M N -0.661 118.794 119.600 -0.241 0.000 2.149 20 M HA -0.286 4.212 4.480 0.029 0.000 0.261 20 M C 2.246 178.466 176.300 -0.133 0.000 1.064 20 M CA 1.959 57.138 55.300 -0.203 0.000 1.102 20 M CB -0.399 32.109 32.600 -0.153 0.000 1.369 20 M HN 0.226 nan 8.290 nan 0.000 0.408 21 K N 0.850 121.186 120.400 -0.107 0.000 2.025 21 K HA -0.116 4.222 4.320 0.029 0.000 0.207 21 K C 2.008 178.568 176.600 -0.067 0.000 1.049 21 K CA 1.554 57.800 56.287 -0.070 0.000 0.933 21 K CB -0.165 32.304 32.500 -0.053 0.000 0.714 21 K HN 0.230 nan 8.250 nan 0.000 0.438 22 A N 0.787 123.560 122.820 -0.079 0.000 1.902 22 A HA -0.129 4.209 4.320 0.029 0.000 0.217 22 A C 1.792 179.342 177.584 -0.057 0.000 1.181 22 A CA 1.311 53.311 52.037 -0.061 0.000 0.623 22 A CB -0.277 18.687 19.000 -0.060 0.000 0.818 22 A HN 0.430 nan 8.150 nan 0.000 0.443 23 Q N -0.500 119.242 119.800 -0.096 0.000 2.280 23 Q HA 0.198 4.556 4.340 0.029 0.000 0.201 23 Q C -0.073 175.907 176.000 -0.034 0.000 0.890 23 Q CA 0.494 56.261 55.803 -0.061 0.000 0.947 23 Q CB 0.254 28.916 28.738 -0.126 0.000 1.081 23 Q HN 0.544 nan 8.270 nan 0.000 0.502 24 S N 0.056 115.727 115.700 -0.048 0.000 3.711 24 S HA -0.099 4.389 4.470 0.029 0.000 0.374 24 S C -0.071 174.513 174.600 -0.027 0.000 0.969 24 S CA 0.223 58.403 58.200 -0.034 0.000 1.198 24 S CB -1.409 61.783 63.200 -0.014 0.000 0.903 24 S HN 0.200 nan 8.310 nan 0.000 0.493 25 V N 1.933 121.817 119.914 -0.049 0.000 2.364 25 V HA 0.199 4.336 4.120 0.029 0.000 0.272 25 V C -0.961 175.133 176.094 0.000 0.000 1.036 25 V CA -1.552 60.743 62.300 -0.009 0.000 0.880 25 V CB 1.256 33.050 31.823 -0.048 0.000 0.991 25 V HN 0.201 nan 8.190 nan 0.000 0.460 26 P HA 0.051 nan 4.420 nan 0.000 0.217 26 P C 0.653 178.000 177.300 0.077 0.000 1.150 26 P CA 1.026 64.103 63.100 -0.038 0.000 0.832 26 P CB 0.309 31.899 31.700 -0.182 0.000 0.787 27 G N -1.688 107.215 108.800 0.173 0.000 2.698 27 G HA2 0.657 4.635 3.960 0.029 0.000 0.293 27 G HA3 0.657 4.635 3.960 0.029 0.000 0.293 27 G C -2.032 173.096 174.900 0.381 0.000 1.437 27 G CA -0.419 44.847 45.100 0.277 0.000 0.852 27 G HN 0.056 nan 8.290 nan 0.000 0.499 28 M N 0.798 120.648 119.600 0.416 0.000 2.413 28 M HA 0.721 5.219 4.480 0.029 0.000 0.287 28 M C -1.576 174.961 176.300 0.394 0.000 1.186 28 M CA -0.694 54.818 55.300 0.353 0.000 0.927 28 M CB 2.255 34.989 32.600 0.223 0.000 1.715 28 M HN 1.106 nan 8.290 nan 0.000 0.478 29 A N 3.685 126.617 122.820 0.187 0.000 2.330 29 A HA 0.797 5.135 4.320 0.029 0.000 0.313 29 A C -1.596 176.102 177.584 0.191 0.000 1.124 29 A CA -0.585 51.582 52.037 0.216 0.000 0.774 29 A CB 1.321 20.432 19.000 0.185 0.000 1.198 29 A HN 0.609 nan 8.150 nan 0.000 0.465 30 V N 1.071 121.182 119.914 0.328 0.000 2.680 30 V HA 0.852 4.989 4.120 0.029 0.000 0.309 30 V C 0.213 176.524 176.094 0.361 0.000 1.052 30 V CA -0.289 62.212 62.300 0.335 0.000 0.908 30 V CB 1.813 33.875 31.823 0.398 0.000 1.001 30 V HN 1.339 nan 8.190 nan 0.000 0.431 31 A N 3.514 126.500 122.820 0.278 0.000 2.359 31 A HA 0.836 5.174 4.320 0.029 0.000 0.303 31 A C -1.141 176.522 177.584 0.133 0.000 1.066 31 A CA -0.503 51.632 52.037 0.164 0.000 0.730 31 A CB 1.709 20.792 19.000 0.138 0.000 1.211 31 A HN 0.643 nan 8.150 nan 0.000 0.439 32 V N 3.506 123.509 119.914 0.149 0.000 2.398 32 V HA 0.485 4.623 4.120 0.029 0.000 0.286 32 V C -0.226 175.927 176.094 0.097 0.000 1.026 32 V CA -0.343 62.045 62.300 0.148 0.000 0.868 32 V CB 1.257 33.205 31.823 0.208 0.000 0.982 32 V HN 0.856 nan 8.190 nan 0.000 0.443 33 I N 4.956 125.551 120.570 0.042 0.000 2.377 33 I HA 0.756 4.943 4.170 0.029 0.000 0.293 33 I C -1.355 174.845 176.117 0.138 0.000 0.987 33 I CA -0.173 61.133 61.300 0.009 0.000 1.185 33 I CB 1.347 39.292 38.000 -0.092 0.000 1.341 33 I HN 0.608 nan 8.210 nan 0.000 0.455 34 Y N 6.047 126.351 120.300 0.007 0.000 2.436 34 Y HA 0.315 4.878 4.550 0.022 0.000 0.327 34 Y C -0.797 175.126 175.900 0.039 0.000 1.138 34 Y CA -0.890 57.238 58.100 0.046 0.000 1.042 34 Y CB 1.457 39.991 38.460 0.123 0.000 1.302 34 Y HN 0.841 nan 8.280 nan 0.000 0.439 35 Q N 4.037 123.614 119.800 -0.370 0.000 2.463 35 Q HA -0.199 4.159 4.340 0.029 0.000 0.299 35 Q C 0.936 176.821 176.000 -0.191 0.000 1.353 35 Q CA 1.166 56.756 55.803 -0.355 0.000 0.828 35 Q CB -1.852 26.597 28.738 -0.481 0.000 1.157 35 Q HN 1.685 nan 8.270 nan 0.000 0.436 36 G N 0.249 108.960 108.800 -0.148 0.000 2.258 36 G HA2 -0.366 3.612 3.960 0.029 0.000 0.274 36 G HA3 -0.366 3.612 3.960 0.029 0.000 0.274 36 G C -0.068 174.741 174.900 -0.153 0.000 1.021 36 G CA 1.197 46.217 45.100 -0.135 0.000 0.798 36 G HN 0.444 nan 8.290 nan 0.000 0.507 37 K N 0.117 120.405 120.400 -0.187 0.000 2.498 37 K HA 0.586 4.924 4.320 0.029 0.000 0.254 37 K C -2.881 173.468 176.600 -0.419 0.000 0.933 37 K CA -2.283 53.826 56.287 -0.297 0.000 0.806 37 K CB 2.944 35.230 32.500 -0.356 0.000 1.301 37 K HN -0.040 nan 8.250 nan 0.000 0.432 38 P HA 0.201 nan 4.420 nan 0.000 0.292 38 P C -1.339 175.403 177.300 -0.929 0.000 1.287 38 P CA -0.304 62.434 63.100 -0.603 0.000 0.800 38 P CB 0.762 32.115 31.700 -0.579 0.000 0.945 39 H N 3.308 122.076 119.070 -0.503 0.000 2.581 39 H HA 0.261 4.832 4.556 0.025 0.000 0.308 39 H C -0.345 174.576 175.328 -0.677 0.000 1.040 39 H CA -0.163 55.594 56.048 -0.484 0.000 1.231 39 H CB 0.369 30.065 29.762 -0.110 0.000 1.396 39 H HN 0.388 nan 8.280 nan 0.000 0.467 40 Y N 2.907 122.988 120.300 -0.364 0.000 2.320 40 Y HA 0.261 4.826 4.550 0.025 0.000 0.334 40 Y C -0.346 175.182 175.900 -0.619 0.000 1.055 40 Y CA -0.527 57.386 58.100 -0.312 0.000 1.143 40 Y CB 0.706 39.079 38.460 -0.145 0.000 1.193 40 Y HN 0.430 nan 8.280 nan 0.000 0.477 41 Y N 0.332 120.772 120.300 0.233 0.000 2.457 41 Y HA 0.602 5.162 4.550 0.017 0.000 0.343 41 Y C -0.132 175.807 175.900 0.065 0.000 0.994 41 Y CA -1.056 57.098 58.100 0.090 0.000 1.031 41 Y CB 2.328 40.876 38.460 0.148 0.000 1.246 41 Y HN 0.431 nan 8.280 nan 0.000 0.449 42 T N 3.846 118.352 114.554 -0.080 0.000 2.876 42 T HA 0.747 5.114 4.350 0.029 0.000 0.289 42 T C -1.468 172.993 174.700 -0.397 0.000 1.014 42 T CA -0.769 61.306 62.100 -0.041 0.000 0.986 42 T CB 0.792 69.684 68.868 0.039 0.000 1.021 42 T HN 0.344 nan 8.240 nan 0.000 0.458 43 F N 0.738 120.790 119.950 0.170 0.000 2.591 43 F HA 0.620 5.168 4.527 0.034 0.000 0.309 43 F C 0.923 176.804 175.800 0.134 0.000 1.098 43 F CA -0.240 57.840 58.000 0.133 0.000 0.937 43 F CB 1.819 40.887 39.000 0.114 0.000 1.250 43 F HN 0.937 nan 8.300 nan 0.000 0.447 44 G N 2.564 111.524 108.800 0.267 0.000 2.564 44 G HA2 -0.168 3.809 3.960 0.029 0.000 0.273 44 G HA3 -0.168 3.809 3.960 0.029 0.000 0.273 44 G C -1.102 173.892 174.900 0.157 0.000 1.242 44 G CA -0.577 44.633 45.100 0.183 0.000 0.951 44 G HN 0.560 nan 8.290 nan 0.000 0.564 45 K N 0.477 120.957 120.400 0.133 0.000 2.292 45 K HA 0.665 5.003 4.320 0.029 0.000 0.257 45 K C 1.064 177.757 176.600 0.155 0.000 0.940 45 K CA -0.128 56.230 56.287 0.119 0.000 0.811 45 K CB 1.776 34.313 32.500 0.062 0.000 1.120 45 K HN 0.814 nan 8.250 nan 0.000 0.428 46 A N 1.877 124.788 122.820 0.152 0.000 1.872 46 A HA -0.097 4.240 4.320 0.029 0.000 0.214 46 A C 0.483 178.211 177.584 0.239 0.000 1.187 46 A CA 1.497 53.615 52.037 0.135 0.000 0.614 46 A CB 0.016 19.061 19.000 0.075 0.000 0.826 46 A HN 0.696 nan 8.150 nan 0.000 0.442 47 D N -0.774 119.769 120.400 0.238 0.000 2.542 47 D HA 0.357 5.015 4.640 0.029 0.000 0.252 47 D C 0.988 177.399 176.300 0.186 0.000 1.222 47 D CA -0.481 53.707 54.000 0.314 0.000 0.895 47 D CB 0.892 41.891 40.800 0.333 0.000 1.207 47 D HN 0.273 nan 8.370 nan 0.000 0.558 48 I N 0.952 121.615 120.570 0.155 0.000 2.480 48 I HA 0.089 4.276 4.170 0.029 0.000 0.251 48 I C 1.747 177.873 176.117 0.016 0.000 1.124 48 I CA 0.384 61.696 61.300 0.020 0.000 1.444 48 I CB -0.529 37.394 38.000 -0.128 0.000 1.098 48 I HN 0.256 nan 8.210 nan 0.000 0.428 49 A N 1.605 124.438 122.820 0.022 0.000 1.969 49 A HA 0.158 4.495 4.320 0.029 0.000 0.218 49 A C 2.380 179.969 177.584 0.009 0.000 1.169 49 A CA 1.684 53.715 52.037 -0.010 0.000 0.635 49 A CB -0.605 18.364 19.000 -0.052 0.000 0.810 49 A HN 0.576 nan 8.150 nan 0.000 0.445 50 A N -1.612 121.232 122.820 0.040 0.000 2.238 50 A HA 0.266 4.604 4.320 0.029 0.000 0.210 50 A C 0.803 178.416 177.584 0.049 0.000 1.179 50 A CA 0.580 52.647 52.037 0.050 0.000 0.827 50 A CB -0.676 18.374 19.000 0.083 0.000 0.856 50 A HN 0.653 nan 8.150 nan 0.000 0.488 51 N N -0.680 118.049 118.700 0.048 0.000 2.725 51 N HA -0.142 4.615 4.740 0.029 0.000 0.251 51 N C -0.811 174.734 175.510 0.057 0.000 1.031 51 N CA 0.572 53.648 53.050 0.044 0.000 0.720 51 N CB -0.878 37.626 38.487 0.029 0.000 0.930 51 N HN 0.499 nan 8.380 nan 0.000 0.543 52 K N 1.057 121.505 120.400 0.080 0.000 2.253 52 K HA 0.298 4.636 4.320 0.029 0.000 0.277 52 K C -2.324 174.332 176.600 0.093 0.000 1.053 52 K CA -1.525 54.812 56.287 0.085 0.000 0.892 52 K CB 1.285 33.844 32.500 0.099 0.000 1.102 52 K HN 0.135 nan 8.250 nan 0.000 0.469 53 P HA 0.062 nan 4.420 nan 0.000 0.277 53 P C -0.087 177.281 177.300 0.113 0.000 1.240 53 P CA -0.460 62.695 63.100 0.092 0.000 0.798 53 P CB 0.801 32.544 31.700 0.072 0.000 0.979 54 V N 2.554 122.556 119.914 0.147 0.000 2.715 54 V HA 0.216 4.354 4.120 0.029 0.000 0.299 54 V C 0.865 177.053 176.094 0.157 0.000 1.054 54 V CA 0.913 63.330 62.300 0.196 0.000 1.077 54 V CB 0.435 32.444 31.823 0.311 0.000 0.972 54 V HN 0.690 nan 8.190 nan 0.000 0.484 55 T N 5.516 120.167 114.554 0.161 0.000 2.883 55 T HA 0.373 4.740 4.350 0.029 0.000 0.301 55 T C -2.386 172.361 174.700 0.078 0.000 1.158 55 T CA -0.896 61.259 62.100 0.091 0.000 1.007 55 T CB 2.118 71.027 68.868 0.067 0.000 1.186 55 T HN 0.412 nan 8.240 nan 0.000 0.499 56 P HA -0.000 nan 4.420 nan 0.000 0.242 56 P C 0.721 177.947 177.300 -0.123 0.000 1.198 56 P CA 0.656 63.686 63.100 -0.117 0.000 0.756 56 P CB 0.009 31.511 31.700 -0.329 0.000 0.911 57 Q N -3.083 116.661 119.800 -0.094 0.000 2.139 57 Q HA 0.171 4.529 4.340 0.029 0.000 0.219 57 Q C -0.395 175.559 176.000 -0.077 0.000 0.805 57 Q CA -0.113 55.575 55.803 -0.192 0.000 1.024 57 Q CB -0.445 28.042 28.738 -0.418 0.000 1.163 57 Q HN -0.073 nan 8.270 nan 0.000 0.485 58 T N 2.876 117.479 114.554 0.081 0.000 2.817 58 T HA 0.252 4.620 4.350 0.029 0.000 0.295 58 T C 0.100 174.898 174.700 0.162 0.000 0.958 58 T CA 0.002 62.177 62.100 0.124 0.000 1.157 58 T CB 0.340 69.290 68.868 0.135 0.000 0.898 58 T HN 0.254 nan 8.240 nan 0.000 0.536 59 L N 4.578 125.867 121.223 0.111 0.000 2.313 59 L HA 0.427 4.785 4.340 0.029 0.000 0.282 59 L C -0.344 176.582 176.870 0.092 0.000 1.092 59 L CA -0.453 54.461 54.840 0.123 0.000 0.831 59 L CB 0.128 42.184 42.059 -0.005 0.000 1.159 59 L HN 0.522 nan 8.230 nan 0.000 0.442 60 F N 0.953 120.986 119.950 0.138 0.000 2.450 60 F HA 0.322 4.866 4.527 0.028 0.000 0.332 60 F C 0.597 176.262 175.800 -0.225 0.000 1.093 60 F CA -0.862 57.205 58.000 0.111 0.000 1.003 60 F CB 1.295 40.479 39.000 0.306 0.000 1.151 60 F HN 0.409 nan 8.300 nan 0.000 0.474 61 E N 2.480 122.305 120.200 -0.627 0.000 2.299 61 E HA 0.077 4.445 4.350 0.029 0.000 0.272 61 E C 0.304 176.854 176.600 -0.082 0.000 1.043 61 E CA -0.195 55.951 56.400 -0.423 0.000 0.895 61 E CB 0.736 30.072 29.700 -0.607 0.000 1.011 61 E HN 0.475 nan 8.360 nan 0.000 0.432 62 L N 3.222 124.454 121.223 0.015 0.000 2.291 62 L HA 0.026 4.384 4.340 0.029 0.000 0.214 62 L C 1.345 178.294 176.870 0.131 0.000 1.120 62 L CA 1.730 56.630 54.840 0.101 0.000 0.799 62 L CB -1.282 40.827 42.059 0.084 0.000 0.925 62 L HN 0.895 nan 8.230 nan 0.000 0.446 63 G N -0.934 107.943 108.800 0.130 0.000 2.582 63 G HA2 -0.397 3.580 3.960 0.029 0.000 0.288 63 G HA3 -0.397 3.580 3.960 0.029 0.000 0.288 63 G C 1.065 176.085 174.900 0.200 0.000 1.247 63 G CA 0.377 45.587 45.100 0.184 0.000 0.972 63 G HN 0.173 nan 8.290 nan 0.000 0.557 64 S N 0.272 116.096 115.700 0.207 0.000 2.571 64 S HA 0.009 4.496 4.470 0.029 0.000 0.245 64 S C 2.171 176.879 174.600 0.180 0.000 0.976 64 S CA 1.288 59.628 58.200 0.233 0.000 0.954 64 S CB -0.282 63.088 63.200 0.284 0.000 0.756 64 S HN 0.456 nan 8.310 nan 0.000 0.535 65 I N 1.165 121.823 120.570 0.147 0.000 3.111 65 I HA -0.072 4.116 4.170 0.029 0.000 0.272 65 I C 1.799 177.998 176.117 0.137 0.000 1.268 65 I CA 0.310 61.674 61.300 0.107 0.000 1.467 65 I CB -0.320 37.761 38.000 0.134 0.000 1.087 65 I HN 0.201 nan 8.210 nan 0.000 0.467 66 S N 1.146 116.941 115.700 0.158 0.000 2.420 66 S HA -0.205 4.282 4.470 0.029 0.000 0.237 66 S C 1.829 176.532 174.600 0.172 0.000 1.023 66 S CA 1.226 59.531 58.200 0.174 0.000 0.991 66 S CB -0.290 62.943 63.200 0.054 0.000 0.792 66 S HN 0.488 nan 8.310 nan 0.000 0.488 67 K N 1.042 121.507 120.400 0.108 0.000 2.362 67 K HA -0.062 4.276 4.320 0.029 0.000 0.200 67 K C 2.361 178.951 176.600 -0.017 0.000 1.046 67 K CA 1.467 57.803 56.287 0.081 0.000 0.952 67 K CB -0.427 32.145 32.500 0.119 0.000 0.753 67 K HN 0.645 nan 8.250 nan 0.000 0.466 68 T N -1.276 113.171 114.554 -0.178 0.000 2.904 68 T HA -0.077 4.291 4.350 0.029 0.000 0.267 68 T C 1.697 176.344 174.700 -0.087 0.000 1.059 68 T CA 0.753 62.563 62.100 -0.483 0.000 1.137 68 T CB -0.344 67.836 68.868 -1.147 0.000 0.879 68 T HN 0.015 nan 8.240 nan 0.000 0.467 69 F N 2.228 122.161 119.950 -0.030 0.000 2.206 69 F HA 0.047 4.591 4.527 0.028 0.000 0.298 69 F C 2.934 178.748 175.800 0.024 0.000 1.090 69 F CA 1.179 59.127 58.000 -0.086 0.000 1.323 69 F CB -1.035 37.762 39.000 -0.338 0.000 1.028 69 F HN 0.122 nan 8.300 nan 0.000 0.492 70 T N -0.743 113.951 114.554 0.233 0.000 2.833 70 T HA -0.119 4.248 4.350 0.029 0.000 0.269 70 T C 2.318 177.165 174.700 0.246 0.000 1.054 70 T CA 1.337 63.582 62.100 0.243 0.000 1.135 70 T CB -0.871 68.133 68.868 0.227 0.000 0.869 70 T HN 0.445 nan 8.240 nan 0.000 0.466 71 G N 0.820 109.735 108.800 0.192 0.000 2.396 71 G HA2 -0.088 3.890 3.960 0.029 0.000 0.214 71 G HA3 -0.088 3.890 3.960 0.029 0.000 0.214 71 G C 1.659 176.700 174.900 0.235 0.000 1.166 71 G CA 0.512 45.737 45.100 0.209 0.000 0.793 71 G HN 0.437 nan 8.290 nan 0.000 0.533 72 V N 0.718 120.777 119.914 0.241 0.000 2.427 72 V HA -0.086 4.051 4.120 0.029 0.000 0.248 72 V C 2.612 178.813 176.094 0.179 0.000 1.051 72 V CA 1.338 63.787 62.300 0.248 0.000 1.048 72 V CB -0.439 31.604 31.823 0.368 0.000 0.666 72 V HN 0.318 nan 8.190 nan 0.000 0.456 73 L N 1.654 122.966 121.223 0.148 0.000 1.943 73 L HA -0.078 4.279 4.340 0.029 0.000 0.215 73 L C 2.511 179.395 176.870 0.022 0.000 1.074 73 L CA 2.638 57.502 54.840 0.041 0.000 0.759 73 L CB -1.573 40.458 42.059 -0.048 0.000 0.888 73 L HN 0.293 nan 8.230 nan 0.000 0.433 74 G N -1.205 107.619 108.800 0.040 0.000 2.597 74 G HA2 -0.350 3.627 3.960 0.029 0.000 0.222 74 G HA3 -0.350 3.627 3.960 0.029 0.000 0.222 74 G C 1.485 176.458 174.900 0.122 0.000 1.135 74 G CA 0.985 46.084 45.100 -0.002 0.000 0.759 74 G HN 0.687 nan 8.290 nan 0.000 0.595 75 G N 0.277 109.184 108.800 0.179 0.000 2.422 75 G HA2 -0.137 3.840 3.960 0.029 0.000 0.218 75 G HA3 -0.137 3.840 3.960 0.029 0.000 0.218 75 G C 1.422 176.377 174.900 0.092 0.000 1.140 75 G CA 1.289 46.482 45.100 0.155 0.000 0.775 75 G HN 0.554 nan 8.290 nan 0.000 0.545 76 D N 0.381 120.820 120.400 0.065 0.000 2.149 76 D HA 0.116 4.774 4.640 0.029 0.000 0.201 76 D C 2.609 178.912 176.300 0.005 0.000 0.972 76 D CA 1.183 55.203 54.000 0.034 0.000 0.835 76 D CB -0.189 40.627 40.800 0.026 0.000 0.966 76 D HN 0.211 nan 8.370 nan 0.000 0.476 77 A N 0.141 122.948 122.820 -0.021 0.000 1.930 77 A HA -0.068 4.269 4.320 0.029 0.000 0.217 77 A C 2.276 179.843 177.584 -0.028 0.000 1.175 77 A CA 0.885 52.890 52.037 -0.054 0.000 0.627 77 A CB -0.708 18.217 19.000 -0.125 0.000 0.815 77 A HN 0.377 nan 8.150 nan 0.000 0.443 78 I N -0.228 120.345 120.570 0.006 0.000 2.142 78 I HA -0.277 3.911 4.170 0.029 0.000 0.240 78 I C 2.896 179.036 176.117 0.038 0.000 1.078 78 I CA 1.233 62.556 61.300 0.038 0.000 1.343 78 I CB -0.318 37.731 38.000 0.083 0.000 1.046 78 I HN 0.337 nan 8.210 nan 0.000 0.405 79 A N 0.280 123.123 122.820 0.038 0.000 2.067 79 A HA -0.139 4.199 4.320 0.029 0.000 0.219 79 A C 2.307 179.903 177.584 0.019 0.000 1.158 79 A CA 1.157 53.213 52.037 0.031 0.000 0.661 79 A CB -0.517 18.503 19.000 0.032 0.000 0.801 79 A HN 0.323 nan 8.150 nan 0.000 0.452 80 R N -1.756 118.750 120.500 0.011 0.000 2.236 80 R HA 0.131 4.489 4.340 0.029 0.000 0.208 80 R C 1.445 177.750 176.300 0.008 0.000 1.036 80 R CA 0.716 56.818 56.100 0.003 0.000 1.001 80 R CB -0.061 30.233 30.300 -0.010 0.000 0.896 80 R HN 0.681 nan 8.270 nan 0.000 0.464 81 G N 0.534 109.344 108.800 0.016 0.000 2.175 81 G HA2 -0.284 3.694 3.960 0.029 0.000 0.244 81 G HA3 -0.284 3.694 3.960 0.029 0.000 0.244 81 G C 0.507 175.427 174.900 0.033 0.000 0.982 81 G CA 0.370 45.487 45.100 0.028 0.000 0.641 81 G HN 0.440 nan 8.290 nan 0.000 0.527 82 E N -0.922 119.286 120.200 0.012 0.000 2.358 82 E HA 0.340 4.708 4.350 0.029 0.000 0.195 82 E C 0.578 177.188 176.600 0.017 0.000 1.010 82 E CA 0.624 57.030 56.400 0.011 0.000 0.856 82 E CB 0.515 30.197 29.700 -0.030 0.000 0.795 82 E HN 0.532 nan 8.360 nan 0.000 0.504 83 I N -0.942 119.628 120.570 0.000 0.000 3.006 83 I HA 0.197 4.384 4.170 0.029 0.000 0.306 83 I C -1.331 174.832 176.117 0.076 0.000 1.250 83 I CA -0.616 60.667 61.300 -0.029 0.000 0.996 83 I CB 2.662 40.510 38.000 -0.254 0.000 1.261 83 I HN -0.269 nan 8.210 nan 0.000 0.442 84 S N 3.735 119.531 115.700 0.159 0.000 2.548 84 S HA 0.464 4.951 4.470 0.029 0.000 0.276 84 S C 0.234 174.942 174.600 0.180 0.000 1.129 84 S CA -0.474 57.820 58.200 0.157 0.000 0.931 84 S CB 0.976 64.267 63.200 0.151 0.000 1.068 84 S HN 0.491 nan 8.310 nan 0.000 0.480 85 L N 3.367 124.673 121.223 0.138 0.000 2.141 85 L HA 0.023 4.381 4.340 0.029 0.000 0.209 85 L C 2.006 178.949 176.870 0.123 0.000 1.094 85 L CA 1.859 56.767 54.840 0.113 0.000 0.763 85 L CB -0.835 41.239 42.059 0.026 0.000 0.908 85 L HN 0.789 nan 8.230 nan 0.000 0.437 86 D N -1.261 119.210 120.400 0.118 0.000 2.269 86 D HA -0.088 4.570 4.640 0.029 0.000 0.208 86 D C 0.170 176.551 176.300 0.135 0.000 0.963 86 D CA 0.094 54.162 54.000 0.114 0.000 0.864 86 D CB -0.308 40.546 40.800 0.091 0.000 0.936 86 D HN 0.267 nan 8.370 nan 0.000 0.505 87 D N 3.224 123.724 120.400 0.167 0.000 2.455 87 D HA 0.076 4.734 4.640 0.029 0.000 0.241 87 D C -1.973 174.433 176.300 0.177 0.000 1.138 87 D CA -1.079 53.018 54.000 0.161 0.000 0.877 87 D CB 0.507 41.441 40.800 0.223 0.000 1.187 87 D HN 0.111 nan 8.370 nan 0.000 0.451 88 P HA -0.070 nan 4.420 nan 0.000 0.267 88 P C 1.116 178.519 177.300 0.172 0.000 1.200 88 P CA -0.259 62.926 63.100 0.142 0.000 0.772 88 P CB 0.814 32.569 31.700 0.091 0.000 0.855 89 V N 2.077 122.133 119.914 0.237 0.000 2.392 89 V HA -0.237 3.901 4.120 0.029 0.000 0.249 89 V C 2.739 178.928 176.094 0.158 0.000 1.059 89 V CA 2.779 65.227 62.300 0.247 0.000 1.051 89 V CB -1.720 30.237 31.823 0.223 0.000 0.658 89 V HN 0.713 nan 8.190 nan 0.000 0.455 90 T N -0.687 113.917 114.554 0.084 0.000 3.025 90 T HA -0.206 4.161 4.350 0.029 0.000 0.270 90 T C 2.022 176.697 174.700 -0.043 0.000 1.126 90 T CA 1.003 63.109 62.100 0.010 0.000 1.105 90 T CB -0.411 68.465 68.868 0.013 0.000 0.884 90 T HN 0.320 nan 8.240 nan 0.000 0.522 91 R N -0.525 119.890 120.500 -0.142 0.000 2.120 91 R HA -0.034 4.324 4.340 0.029 0.000 0.234 91 R C 1.002 177.002 176.300 -0.500 0.000 1.123 91 R CA 1.319 57.172 56.100 -0.411 0.000 0.975 91 R CB -0.262 29.610 30.300 -0.715 0.000 0.866 91 R HN 0.592 nan 8.270 nan 0.000 0.446 92 Y N -3.784 116.551 120.300 0.059 0.000 2.445 92 Y HA 0.122 4.690 4.550 0.030 0.000 0.247 92 Y C 0.118 176.095 175.900 0.127 0.000 1.129 92 Y CA -0.467 57.661 58.100 0.046 0.000 1.251 92 Y CB 0.555 39.009 38.460 -0.009 0.000 1.176 92 Y HN -0.005 nan 8.280 nan 0.000 0.522 93 W N 3.359 124.647 121.300 -0.020 0.000 2.073 93 W HA 0.395 5.073 4.660 0.030 0.000 0.295 93 W C -2.492 173.960 176.519 -0.111 0.000 1.005 93 W CA -3.179 54.116 57.345 -0.083 0.000 1.451 93 W CB 0.994 30.364 29.460 -0.151 0.000 1.515 93 W HN -0.206 nan 8.180 nan 0.000 0.341 94 P HA -0.180 nan 4.420 nan 0.000 0.233 94 P C 1.253 178.448 177.300 -0.176 0.000 1.167 94 P CA 1.386 64.440 63.100 -0.077 0.000 0.770 94 P CB 0.189 31.869 31.700 -0.035 0.000 0.837 95 Q N -0.856 118.769 119.800 -0.291 0.000 2.435 95 Q HA -0.018 4.340 4.340 0.029 0.000 0.207 95 Q C 0.672 176.356 176.000 -0.528 0.000 0.956 95 Q CA 0.239 55.827 55.803 -0.359 0.000 0.917 95 Q CB -0.655 27.880 28.738 -0.339 0.000 0.997 95 Q HN 0.185 nan 8.270 nan 0.000 0.497 96 L N 3.879 124.676 121.223 -0.710 0.000 2.505 96 L HA 0.036 4.394 4.340 0.029 0.000 0.279 96 L C 0.579 177.262 176.870 -0.311 0.000 1.211 96 L CA 0.743 55.169 54.840 -0.689 0.000 1.059 96 L CB 0.347 41.853 42.059 -0.922 0.000 1.340 96 L HN 0.184 nan 8.230 nan 0.000 0.447 97 T N -0.536 113.915 114.554 -0.172 0.000 3.081 97 T HA 0.214 4.582 4.350 0.029 0.000 0.250 97 T C 0.998 175.729 174.700 0.052 0.000 1.100 97 T CA 0.110 62.178 62.100 -0.053 0.000 1.038 97 T CB -0.132 68.703 68.868 -0.057 0.000 0.962 97 T HN 0.556 nan 8.240 nan 0.000 0.516 98 G N 0.953 109.850 108.800 0.162 0.000 2.554 98 G HA2 0.224 4.202 3.960 0.029 0.000 0.238 98 G HA3 0.224 4.202 3.960 0.029 0.000 0.238 98 G C 0.561 175.566 174.900 0.175 0.000 1.259 98 G CA -0.618 44.600 45.100 0.196 0.000 0.843 98 G HN 0.251 nan 8.290 nan 0.000 0.582 99 K N 0.129 120.576 120.400 0.079 0.000 2.366 99 K HA -0.081 4.256 4.320 0.029 0.000 0.198 99 K C 2.618 179.235 176.600 0.028 0.000 1.044 99 K CA 0.848 57.165 56.287 0.051 0.000 0.973 99 K CB 0.093 32.599 32.500 0.011 0.000 0.767 99 K HN 0.745 nan 8.250 nan 0.000 0.475 100 Q N -0.774 119.014 119.800 -0.021 0.000 2.084 100 Q HA -0.177 4.180 4.340 0.029 0.000 0.202 100 Q C 1.265 177.177 176.000 -0.146 0.000 0.978 100 Q CA 1.445 57.145 55.803 -0.173 0.000 0.844 100 Q CB -0.454 28.066 28.738 -0.362 0.000 0.898 100 Q HN 0.368 nan 8.270 nan 0.000 0.426 101 W N 1.492 122.837 121.300 0.076 0.000 2.961 101 W HA -0.003 4.674 4.660 0.029 0.000 0.240 101 W C 2.144 178.717 176.519 0.090 0.000 1.305 101 W CA 0.237 57.656 57.345 0.122 0.000 1.465 101 W CB 0.143 29.666 29.460 0.106 0.000 1.135 101 W HN 0.258 nan 8.180 nan 0.000 0.688 102 Q N 0.189 120.120 119.800 0.218 0.000 1.956 102 Q HA -0.162 4.195 4.340 0.029 0.000 0.208 102 Q C 2.380 178.471 176.000 0.152 0.000 0.998 102 Q CA 2.486 58.381 55.803 0.153 0.000 0.855 102 Q CB -0.960 27.830 28.738 0.086 0.000 0.928 102 Q HN 0.219 nan 8.270 nan 0.000 0.418 103 G N -0.709 108.165 108.800 0.123 0.000 3.026 103 G HA2 0.184 4.161 3.960 0.029 0.000 0.208 103 G HA3 0.184 4.161 3.960 0.029 0.000 0.208 103 G C -0.088 174.908 174.900 0.160 0.000 1.169 103 G CA -0.238 44.936 45.100 0.123 0.000 0.788 103 G HN 0.239 nan 8.290 nan 0.000 0.533 104 I N 1.441 122.141 120.570 0.217 0.000 2.312 104 I HA 0.372 4.560 4.170 0.029 0.000 0.291 104 I C 0.110 176.393 176.117 0.276 0.000 1.031 104 I CA -0.992 60.464 61.300 0.260 0.000 1.293 104 I CB 0.979 39.181 38.000 0.336 0.000 1.403 104 I HN -0.019 nan 8.210 nan 0.000 0.484 105 R N 4.840 125.478 120.500 0.231 0.000 2.541 105 R HA 0.410 4.767 4.340 0.029 0.000 0.263 105 R C 0.972 177.409 176.300 0.229 0.000 1.112 105 R CA -0.741 55.489 56.100 0.216 0.000 1.170 105 R CB 0.271 30.677 30.300 0.176 0.000 1.167 105 R HN 0.461 nan 8.270 nan 0.000 0.582 106 M N 0.383 120.122 119.600 0.232 0.000 2.159 106 M HA -0.097 4.401 4.480 0.029 0.000 0.263 106 M C 1.898 178.257 176.300 0.098 0.000 1.063 106 M CA 1.406 56.853 55.300 0.244 0.000 1.110 106 M CB -0.941 31.839 32.600 0.301 0.000 1.374 106 M HN 0.598 nan 8.290 nan 0.000 0.411 107 L N 1.079 122.324 121.223 0.037 0.000 2.042 107 L HA -0.231 4.127 4.340 0.029 0.000 0.210 107 L C 1.901 178.748 176.870 -0.038 0.000 1.076 107 L CA 1.974 56.749 54.840 -0.109 0.000 0.749 107 L CB -0.805 41.216 42.059 -0.064 0.000 0.893 107 L HN 0.253 nan 8.230 nan 0.000 0.432 108 D N -0.344 120.126 120.400 0.116 0.000 2.103 108 D HA -0.255 4.403 4.640 0.029 0.000 0.190 108 D C 2.319 178.642 176.300 0.038 0.000 0.997 108 D CA 1.996 56.082 54.000 0.144 0.000 0.833 108 D CB -0.343 40.568 40.800 0.185 0.000 0.961 108 D HN 0.391 nan 8.370 nan 0.000 0.447 109 L N 0.762 122.021 121.223 0.059 0.000 2.042 109 L HA -0.211 4.146 4.340 0.029 0.000 0.210 109 L C 2.619 179.368 176.870 -0.201 0.000 1.076 109 L CA 1.243 56.103 54.840 0.034 0.000 0.749 109 L CB -0.410 41.745 42.059 0.159 0.000 0.893 109 L HN -0.004 nan 8.230 nan 0.000 0.432 110 A N -0.507 122.037 122.820 -0.460 0.000 1.930 110 A HA -0.160 4.178 4.320 0.029 0.000 0.217 110 A C 1.984 179.125 177.584 -0.740 0.000 1.175 110 A CA 2.025 53.503 52.037 -0.931 0.000 0.627 110 A CB -0.595 17.529 19.000 -1.460 0.000 0.815 110 A HN 0.507 nan 8.150 nan 0.000 0.443 111 T N -6.288 107.970 114.554 -0.493 0.000 3.228 111 T HA 0.374 4.742 4.350 0.029 0.000 0.278 111 T C 0.003 174.522 174.700 -0.301 0.000 1.014 111 T CA 0.008 61.870 62.100 -0.396 0.000 0.904 111 T CB -0.621 68.347 68.868 0.167 0.000 1.110 111 T HN 0.646 nan 8.240 nan 0.000 0.541 112 Y N -0.606 119.678 120.300 -0.027 0.000 3.790 112 Y HA -0.198 4.369 4.550 0.029 0.000 0.226 112 Y C 1.126 176.973 175.900 -0.088 0.000 1.257 112 Y CA 0.500 58.570 58.100 -0.050 0.000 1.765 112 Y CB -2.949 35.485 38.460 -0.043 0.000 1.552 112 Y HN 0.499 nan 8.280 nan 0.000 0.650 113 T N -2.098 112.452 114.554 -0.007 0.000 3.380 113 T HA 0.678 5.045 4.350 0.029 0.000 0.289 113 T C 1.389 176.100 174.700 0.019 0.000 1.012 113 T CA 0.470 62.510 62.100 -0.101 0.000 0.944 113 T CB -0.280 68.339 68.868 -0.415 0.000 1.172 113 T HN 0.511 nan 8.240 nan 0.000 0.502 114 A N 1.008 123.885 122.820 0.096 0.000 1.841 114 A HA 0.419 4.757 4.320 0.029 0.000 0.216 114 A C 1.774 179.491 177.584 0.221 0.000 1.199 114 A CA 1.580 53.709 52.037 0.154 0.000 0.621 114 A CB -0.702 18.366 19.000 0.114 0.000 0.835 114 A HN 1.225 nan 8.150 nan 0.000 0.445 115 G N -4.270 104.728 108.800 0.330 0.000 4.398 115 G HA2 0.520 4.498 3.960 0.029 0.000 0.224 115 G HA3 0.520 4.498 3.960 0.029 0.000 0.224 115 G C 0.728 176.040 174.900 0.687 0.000 0.991 115 G CA 0.628 45.996 45.100 0.446 0.000 1.262 115 G HN 1.895 nan 8.290 nan 0.000 0.704 116 G N -0.158 109.010 108.800 0.615 0.000 2.155 116 G HA2 -0.099 3.879 3.960 0.029 0.000 0.130 116 G HA3 -0.099 3.879 3.960 0.029 0.000 0.130 116 G C 0.357 175.534 174.900 0.463 0.000 1.027 116 G CA -0.263 45.239 45.100 0.670 0.000 0.705 116 G HN 0.806 nan 8.290 nan 0.000 0.496 117 L N 2.282 123.547 121.223 0.069 0.000 2.525 117 L HA 0.259 4.617 4.340 0.029 0.000 0.278 117 L C -1.106 175.774 176.870 0.017 0.000 1.218 117 L CA -1.254 53.416 54.840 -0.282 0.000 0.878 117 L CB 0.331 42.205 42.059 -0.308 0.000 1.127 117 L HN 0.059 nan 8.230 nan 0.000 0.492 118 P HA -0.010 nan 4.420 nan 0.000 0.275 118 P C 0.590 177.941 177.300 0.086 0.000 1.228 118 P CA -0.535 62.639 63.100 0.123 0.000 0.786 118 P CB 1.117 32.920 31.700 0.171 0.000 0.927 119 L N 1.762 123.035 121.223 0.083 0.000 1.991 119 L HA -0.206 4.151 4.340 0.029 0.000 0.221 119 L C 1.187 178.088 176.870 0.051 0.000 1.079 119 L CA 2.225 57.106 54.840 0.068 0.000 0.778 119 L CB -0.863 41.249 42.059 0.088 0.000 0.893 119 L HN 0.493 nan 8.230 nan 0.000 0.437 120 Q N -2.097 117.728 119.800 0.041 0.000 2.333 120 Q HA 0.517 4.875 4.340 0.029 0.000 0.266 120 Q C -1.283 174.695 176.000 -0.038 0.000 1.053 120 Q CA -0.850 54.963 55.803 0.018 0.000 0.890 120 Q CB 2.112 30.850 28.738 -0.001 0.000 1.337 120 Q HN 0.026 nan 8.270 nan 0.000 0.474 121 V N 3.144 123.006 119.914 -0.086 0.000 2.432 121 V HA 0.296 4.433 4.120 0.029 0.000 0.275 121 V C -2.079 173.851 176.094 -0.274 0.000 1.043 121 V CA -1.499 60.633 62.300 -0.280 0.000 0.925 121 V CB 0.918 32.596 31.823 -0.242 0.000 0.985 121 V HN 0.769 nan 8.190 nan 0.000 0.466 122 P HA -0.046 nan 4.420 nan 0.000 0.268 122 P C 0.611 177.820 177.300 -0.152 0.000 1.189 122 P CA 0.142 63.104 63.100 -0.230 0.000 0.771 122 P CB 0.432 31.968 31.700 -0.273 0.000 0.822 123 D N 1.464 121.818 120.400 -0.077 0.000 2.269 123 D HA -0.148 4.510 4.640 0.029 0.000 0.208 123 D C 0.818 177.096 176.300 -0.038 0.000 0.963 123 D CA 0.939 54.911 54.000 -0.045 0.000 0.864 123 D CB -0.083 40.704 40.800 -0.022 0.000 0.936 123 D HN 0.257 nan 8.370 nan 0.000 0.505 124 E N 0.719 120.895 120.200 -0.040 0.000 2.216 124 E HA 0.029 4.397 4.350 0.029 0.000 0.192 124 E C 0.648 177.233 176.600 -0.026 0.000 0.988 124 E CA 0.010 56.399 56.400 -0.019 0.000 0.834 124 E CB -0.007 29.694 29.700 0.002 0.000 0.772 124 E HN 0.158 nan 8.360 nan 0.000 0.479 125 V N 2.954 122.824 119.914 -0.073 0.000 2.400 125 V HA -0.032 4.106 4.120 0.029 0.000 0.263 125 V C 1.398 177.469 176.094 -0.039 0.000 1.026 125 V CA 1.259 63.517 62.300 -0.069 0.000 1.077 125 V CB -0.113 31.600 31.823 -0.183 0.000 1.054 125 V HN 0.275 nan 8.190 nan 0.000 0.477 126 T N -0.425 114.126 114.554 -0.005 0.000 3.040 126 T HA 0.317 4.684 4.350 0.029 0.000 0.266 126 T C 0.068 174.776 174.700 0.014 0.000 1.005 126 T CA 0.274 62.375 62.100 0.002 0.000 0.906 126 T CB 0.127 68.999 68.868 0.007 0.000 1.082 126 T HN 0.734 nan 8.240 nan 0.000 0.531 127 D N -0.297 120.122 120.400 0.030 0.000 2.779 127 D HA 0.278 4.936 4.640 0.029 0.000 0.331 127 D C 0.101 176.448 176.300 0.078 0.000 1.331 127 D CA -0.834 53.191 54.000 0.042 0.000 0.866 127 D CB -0.011 40.813 40.800 0.039 0.000 1.409 127 D HN -0.198 nan 8.370 nan 0.000 0.486 128 N N -0.128 118.625 118.700 0.088 0.000 2.188 128 N HA -0.009 4.748 4.740 0.029 0.000 0.184 128 N C 1.703 177.328 175.510 0.192 0.000 1.018 128 N CA 1.658 54.795 53.050 0.145 0.000 0.858 128 N CB -0.708 37.852 38.487 0.123 0.000 0.989 128 N HN 0.537 nan 8.380 nan 0.000 0.426 129 A N 1.380 124.282 122.820 0.136 0.000 1.845 129 A HA -0.169 4.169 4.320 0.029 0.000 0.215 129 A C 2.464 180.134 177.584 0.144 0.000 1.195 129 A CA 2.408 54.521 52.037 0.127 0.000 0.616 129 A CB -1.127 17.925 19.000 0.086 0.000 0.832 129 A HN 0.446 nan 8.150 nan 0.000 0.443 130 S N -0.151 115.623 115.700 0.123 0.000 2.374 130 S HA -0.211 4.276 4.470 0.029 0.000 0.227 130 S C 1.860 176.570 174.600 0.183 0.000 1.037 130 S CA 1.635 59.909 58.200 0.123 0.000 1.024 130 S CB -0.791 62.454 63.200 0.076 0.000 0.861 130 S HN 0.412 nan 8.310 nan 0.000 0.456 131 L N 1.313 122.659 121.223 0.205 0.000 1.994 131 L HA 0.028 4.385 4.340 0.029 0.000 0.208 131 L C 2.661 179.835 176.870 0.506 0.000 1.071 131 L CA 1.604 56.643 54.840 0.332 0.000 0.745 131 L CB -0.835 41.416 42.059 0.320 0.000 0.892 131 L HN 0.278 nan 8.230 nan 0.000 0.431 132 V N -0.185 119.982 119.914 0.422 0.000 2.343 132 V HA -0.296 3.841 4.120 0.029 0.000 0.247 132 V C 2.747 178.980 176.094 0.231 0.000 1.051 132 V CA 1.977 64.469 62.300 0.320 0.000 1.036 132 V CB -0.364 31.523 31.823 0.107 0.000 0.654 132 V HN 0.534 nan 8.190 nan 0.000 0.451 133 R N -0.915 119.707 120.500 0.204 0.000 2.091 133 R HA -0.205 4.153 4.340 0.029 0.000 0.238 133 R C 2.148 178.578 176.300 0.216 0.000 1.136 133 R CA 2.032 58.232 56.100 0.166 0.000 0.959 133 R CB -0.727 29.656 30.300 0.139 0.000 0.856 133 R HN 0.569 nan 8.270 nan 0.000 0.437 134 F N 1.002 121.020 119.950 0.113 0.000 2.011 134 F HA -0.300 4.244 4.527 0.029 0.000 0.296 134 F C 1.830 177.725 175.800 0.158 0.000 1.144 134 F CA 1.498 59.532 58.000 0.056 0.000 1.185 134 F CB -0.723 38.215 39.000 -0.104 0.000 0.961 134 F HN -0.089 nan 8.300 nan 0.000 0.485 135 Y N 0.583 120.916 120.300 0.055 0.000 2.293 135 Y HA -0.171 4.396 4.550 0.029 0.000 0.291 135 Y C 2.669 178.795 175.900 0.377 0.000 1.137 135 Y CA 1.541 59.737 58.100 0.160 0.000 1.202 135 Y CB -0.889 37.762 38.460 0.318 0.000 0.990 135 Y HN 0.243 nan 8.280 nan 0.000 0.537 136 Q N 0.070 120.058 119.800 0.313 0.000 2.084 136 Q HA -0.165 4.192 4.340 0.029 0.000 0.202 136 Q C 0.659 176.789 176.000 0.217 0.000 0.978 136 Q CA 1.518 57.455 55.803 0.225 0.000 0.844 136 Q CB -0.405 28.380 28.738 0.078 0.000 0.898 136 Q HN 0.603 nan 8.270 nan 0.000 0.426 137 N N -0.559 118.230 118.700 0.148 0.000 2.320 137 N HA 0.054 4.812 4.740 0.029 0.000 0.237 137 N C -0.886 174.654 175.510 0.051 0.000 1.129 137 N CA -0.381 52.716 53.050 0.077 0.000 0.854 137 N CB 0.223 38.749 38.487 0.065 0.000 1.083 137 N HN 0.177 nan 8.380 nan 0.000 0.504 138 W N 1.961 123.182 121.300 -0.132 0.000 2.338 138 W HA 0.333 5.011 4.660 0.030 0.000 0.307 138 W C -0.600 175.814 176.519 -0.176 0.000 1.167 138 W CA -0.618 56.589 57.345 -0.229 0.000 1.208 138 W CB 0.732 29.950 29.460 -0.403 0.000 1.228 138 W HN -0.118 nan 8.180 nan 0.000 0.499 139 Q N 7.451 126.681 119.800 -0.950 0.000 2.271 139 Q HA 0.283 4.640 4.340 0.029 0.000 0.258 139 Q C -1.816 173.260 176.000 -1.540 0.000 0.936 139 Q CA -1.763 53.383 55.803 -1.095 0.000 0.909 139 Q CB 1.793 30.206 28.738 -0.543 0.000 1.253 139 Q HN 0.346 nan 8.270 nan 0.000 0.440 140 P HA -0.111 nan 4.420 nan 0.000 0.281 140 P C 0.279 177.286 177.300 -0.489 0.000 1.461 140 P CA 0.533 63.090 63.100 -0.904 0.000 0.967 140 P CB 0.543 31.884 31.700 -0.598 0.000 1.357 141 Q N -4.817 114.739 119.800 -0.407 0.000 2.121 141 Q HA 0.060 4.418 4.340 0.029 0.000 0.163 141 Q C -0.403 175.157 176.000 -0.734 0.000 0.695 141 Q CA 0.368 55.741 55.803 -0.716 0.000 0.854 141 Q CB 0.334 28.310 28.738 -1.270 0.000 1.190 141 Q HN 0.438 nan 8.270 nan 0.000 0.357 142 W N 1.768 123.040 121.300 -0.046 0.000 2.736 142 W HA 0.560 5.238 4.660 0.030 0.000 0.355 142 W C 0.394 176.887 176.519 -0.044 0.000 1.102 142 W CA -0.652 56.670 57.345 -0.038 0.000 1.164 142 W CB 0.714 30.161 29.460 -0.022 0.000 1.422 142 W HN -0.236 nan 8.180 nan 0.000 0.572 143 K N 0.767 121.284 120.400 0.195 0.000 2.098 143 K HA 0.357 4.694 4.320 0.029 0.000 0.257 143 K C -2.224 174.444 176.600 0.113 0.000 0.999 143 K CA -1.901 54.447 56.287 0.102 0.000 0.924 143 K CB 0.121 32.660 32.500 0.065 0.000 1.028 143 K HN -0.105 nan 8.250 nan 0.000 0.466 144 P HA -0.129 nan 4.420 nan 0.000 0.263 144 P C 0.288 177.632 177.300 0.073 0.000 1.162 144 P CA 1.232 64.392 63.100 0.102 0.000 0.758 144 P CB 0.203 31.977 31.700 0.122 0.000 0.773 145 G N 2.160 110.965 108.800 0.007 0.000 2.221 145 G HA2 -0.272 3.706 3.960 0.029 0.000 0.265 145 G HA3 -0.272 3.706 3.960 0.029 0.000 0.265 145 G C 0.621 175.385 174.900 -0.228 0.000 1.041 145 G CA 0.687 45.712 45.100 -0.125 0.000 0.807 145 G HN 0.708 nan 8.290 nan 0.000 0.502 146 T N -5.073 109.361 114.554 -0.201 0.000 2.969 146 T HA 0.490 4.858 4.350 0.029 0.000 0.258 146 T C 0.510 175.024 174.700 -0.309 0.000 0.962 146 T CA 1.110 63.105 62.100 -0.175 0.000 0.903 146 T CB 1.193 70.050 68.868 -0.019 0.000 1.177 146 T HN 0.674 nan 8.240 nan 0.000 0.511 147 T N 1.906 116.234 114.554 -0.377 0.000 3.578 147 T HA 0.380 4.747 4.350 0.029 0.000 0.329 147 T C -1.102 173.342 174.700 -0.426 0.000 0.913 147 T CA -0.653 61.117 62.100 -0.550 0.000 1.029 147 T CB 2.003 70.214 68.868 -1.096 0.000 1.045 147 T HN 0.281 nan 8.240 nan 0.000 0.460 148 R N 3.156 123.443 120.500 -0.356 0.000 2.370 148 R HA 0.492 4.850 4.340 0.029 0.000 0.309 148 R C -1.073 175.136 176.300 -0.152 0.000 1.059 148 R CA -0.384 55.600 56.100 -0.193 0.000 0.981 148 R CB 0.196 30.421 30.300 -0.125 0.000 0.972 148 R HN 0.391 nan 8.270 nan 0.000 0.437 149 L N 6.624 127.816 121.223 -0.051 0.000 2.573 149 L HA 0.182 4.540 4.340 0.029 0.000 0.260 149 L C -1.468 175.372 176.870 -0.049 0.000 0.997 149 L CA -0.684 54.139 54.840 -0.028 0.000 0.890 149 L CB 0.750 42.822 42.059 0.021 0.000 1.179 149 L HN 0.592 nan 8.230 nan 0.000 0.439 150 Y N 4.235 124.331 120.300 -0.340 0.000 2.996 150 Y HA 0.271 4.838 4.550 0.029 0.000 0.347 150 Y C 0.157 175.851 175.900 -0.343 0.000 1.276 150 Y CA 1.234 58.914 58.100 -0.699 0.000 1.601 150 Y CB 0.227 38.400 38.460 -0.479 0.000 1.193 150 Y HN 0.817 nan 8.280 nan 0.000 0.582 151 A N 5.449 127.821 122.820 -0.746 0.000 2.566 151 A HA 0.359 4.696 4.320 0.029 0.000 0.297 151 A C -0.113 177.382 177.584 -0.148 0.000 1.059 151 A CA -0.847 51.047 52.037 -0.239 0.000 0.691 151 A CB 0.931 19.929 19.000 -0.003 0.000 1.282 151 A HN 0.706 nan 8.150 nan 0.000 0.401 152 N N 1.216 119.883 118.700 -0.055 0.000 2.250 152 N HA -0.063 4.695 4.740 0.029 0.000 0.181 152 N C 1.830 177.391 175.510 0.085 0.000 1.017 152 N CA 1.665 54.736 53.050 0.035 0.000 0.866 152 N CB -0.306 38.251 38.487 0.117 0.000 0.985 152 N HN 0.839 nan 8.380 nan 0.000 0.429 153 A N -0.020 122.864 122.820 0.107 0.000 2.125 153 A HA -0.068 4.269 4.320 0.029 0.000 0.219 153 A C 2.397 180.158 177.584 0.296 0.000 1.156 153 A CA 1.629 53.791 52.037 0.209 0.000 0.671 153 A CB -0.388 18.730 19.000 0.197 0.000 0.794 153 A HN 0.307 nan 8.150 nan 0.000 0.459 154 S N -0.985 114.824 115.700 0.182 0.000 2.357 154 S HA 0.105 4.592 4.470 0.029 0.000 0.209 154 S C 1.842 176.509 174.600 0.111 0.000 1.023 154 S CA 0.675 58.971 58.200 0.159 0.000 0.933 154 S CB -0.367 62.928 63.200 0.157 0.000 0.897 154 S HN 0.478 nan 8.310 nan 0.000 0.529 155 I N 1.412 122.028 120.570 0.078 0.000 2.676 155 I HA 0.011 4.199 4.170 0.029 0.000 0.259 155 I C 2.106 178.280 176.117 0.095 0.000 1.194 155 I CA 1.058 62.378 61.300 0.033 0.000 1.473 155 I CB -0.730 37.249 38.000 -0.034 0.000 1.096 155 I HN 0.510 nan 8.210 nan 0.000 0.443 156 G N 1.283 110.120 108.800 0.062 0.000 2.446 156 G HA2 -0.320 3.658 3.960 0.029 0.000 0.217 156 G HA3 -0.320 3.658 3.960 0.029 0.000 0.217 156 G C 1.533 176.407 174.900 -0.043 0.000 1.168 156 G CA 0.920 46.014 45.100 -0.011 0.000 0.771 156 G HN 0.392 nan 8.290 nan 0.000 0.551 157 L N -0.292 120.940 121.223 0.015 0.000 2.093 157 L HA 0.148 4.505 4.340 0.029 0.000 0.208 157 L C 2.434 179.246 176.870 -0.098 0.000 1.085 157 L CA 1.485 56.255 54.840 -0.116 0.000 0.755 157 L CB -0.706 41.230 42.059 -0.206 0.000 0.904 157 L HN 0.235 nan 8.230 nan 0.000 0.435 158 F N 0.352 120.225 119.950 -0.128 0.000 2.120 158 F HA -0.123 4.421 4.527 0.029 0.000 0.300 158 F C 2.137 177.866 175.800 -0.119 0.000 1.095 158 F CA 1.832 59.761 58.000 -0.118 0.000 1.249 158 F CB -0.929 38.014 39.000 -0.094 0.000 0.995 158 F HN 0.122 nan 8.300 nan 0.000 0.480 159 G N -0.448 108.296 108.800 -0.095 0.000 2.418 159 G HA2 -0.186 3.792 3.960 0.029 0.000 0.217 159 G HA3 -0.186 3.792 3.960 0.029 0.000 0.217 159 G C 1.796 176.587 174.900 -0.182 0.000 1.158 159 G CA 0.772 45.792 45.100 -0.134 0.000 0.771 159 G HN 0.626 nan 8.290 nan 0.000 0.545 160 A N -0.026 122.619 122.820 -0.291 0.000 1.930 160 A HA 0.189 4.527 4.320 0.029 0.000 0.217 160 A C 2.296 179.701 177.584 -0.298 0.000 1.175 160 A CA 1.138 52.995 52.037 -0.299 0.000 0.627 160 A CB -0.267 18.517 19.000 -0.359 0.000 0.815 160 A HN 0.298 nan 8.150 nan 0.000 0.443 161 L N -0.628 120.382 121.223 -0.356 0.000 2.131 161 L HA 0.075 4.433 4.340 0.029 0.000 0.206 161 L C 2.883 179.514 176.870 -0.399 0.000 1.087 161 L CA 1.579 56.204 54.840 -0.358 0.000 0.767 161 L CB -1.112 40.763 42.059 -0.306 0.000 0.917 161 L HN 0.375 nan 8.230 nan 0.000 0.441 162 A N -1.329 121.185 122.820 -0.510 0.000 1.978 162 A HA -0.186 4.152 4.320 0.029 0.000 0.220 162 A C 2.386 179.754 177.584 -0.359 0.000 1.170 162 A CA 1.919 53.608 52.037 -0.580 0.000 0.636 162 A CB -0.834 17.670 19.000 -0.828 0.000 0.810 162 A HN 0.244 nan 8.150 nan 0.000 0.448 163 V N -0.913 118.857 119.914 -0.241 0.000 3.608 163 V HA -0.006 4.131 4.120 0.029 0.000 0.269 163 V C 1.961 177.976 176.094 -0.132 0.000 1.245 163 V CA 1.418 63.622 62.300 -0.160 0.000 1.138 163 V CB -0.552 31.219 31.823 -0.088 0.000 0.841 163 V HN 0.567 nan 8.190 nan 0.000 0.451 164 K N 0.937 121.248 120.400 -0.148 0.000 2.009 164 K HA -0.099 4.238 4.320 0.029 0.000 0.210 164 K C -0.216 176.346 176.600 -0.063 0.000 1.049 164 K CA 2.108 58.336 56.287 -0.099 0.000 0.929 164 K CB -1.220 31.224 32.500 -0.093 0.000 0.714 164 K HN 0.437 nan 8.250 nan 0.000 0.440 165 P HA -0.174 nan 4.420 nan 0.000 0.220 165 P C 1.127 178.404 177.300 -0.038 0.000 1.144 165 P CA 1.397 64.482 63.100 -0.024 0.000 0.800 165 P CB -0.004 31.686 31.700 -0.016 0.000 0.772 166 S N -1.420 114.242 115.700 -0.064 0.000 2.481 166 S HA 0.063 4.550 4.470 0.029 0.000 0.231 166 S C 1.895 176.466 174.600 -0.049 0.000 0.996 166 S CA 0.944 59.108 58.200 -0.060 0.000 0.942 166 S CB -1.473 61.678 63.200 -0.082 0.000 0.768 166 S HN 0.286 nan 8.310 nan 0.000 0.520 167 G N 0.715 109.488 108.800 -0.045 0.000 2.189 167 G HA2 -0.296 3.682 3.960 0.029 0.000 0.267 167 G HA3 -0.296 3.682 3.960 0.029 0.000 0.267 167 G C 0.030 174.905 174.900 -0.041 0.000 0.975 167 G CA 0.748 45.827 45.100 -0.036 0.000 0.644 167 G HN 0.567 nan 8.290 nan 0.000 0.537 168 M N 1.012 120.580 119.600 -0.053 0.000 2.318 168 M HA 0.398 4.895 4.480 0.029 0.000 0.347 168 M C -2.035 174.232 176.300 -0.054 0.000 1.175 168 M CA -1.945 53.321 55.300 -0.057 0.000 1.075 168 M CB 1.271 33.826 32.600 -0.074 0.000 1.614 168 M HN -0.135 nan 8.290 nan 0.000 0.456 169 P HA -0.098 nan 4.420 nan 0.000 0.269 169 P C -0.101 177.190 177.300 -0.016 0.000 1.211 169 P CA 0.142 63.230 63.100 -0.020 0.000 0.781 169 P CB 0.356 32.045 31.700 -0.017 0.000 0.877 170 Y N 1.532 121.768 120.300 -0.108 0.000 2.165 170 Y HA -0.261 4.307 4.550 0.029 0.000 0.286 170 Y C 2.326 178.160 175.900 -0.110 0.000 1.155 170 Y CA 2.150 60.178 58.100 -0.120 0.000 1.164 170 Y CB -0.143 38.238 38.460 -0.132 0.000 0.978 170 Y HN 0.480 nan 8.280 nan 0.000 0.513 171 E N -0.381 119.816 120.200 -0.006 0.000 2.072 171 E HA -0.289 4.079 4.350 0.029 0.000 0.190 171 E C 2.299 178.820 176.600 -0.132 0.000 0.982 171 E CA 1.205 57.560 56.400 -0.075 0.000 0.803 171 E CB -0.279 29.416 29.700 -0.010 0.000 0.755 171 E HN 0.698 nan 8.360 nan 0.000 0.453 172 Q N 0.107 119.846 119.800 -0.102 0.000 2.119 172 Q HA -0.138 4.219 4.340 0.029 0.000 0.201 172 Q C 2.003 177.919 176.000 -0.140 0.000 0.972 172 Q CA 1.309 57.051 55.803 -0.102 0.000 0.847 172 Q CB -0.158 28.537 28.738 -0.072 0.000 0.903 172 Q HN 0.307 nan 8.270 nan 0.000 0.433 173 A N 0.944 123.657 122.820 -0.178 0.000 1.902 173 A HA -0.199 4.138 4.320 0.029 0.000 0.217 173 A C 2.058 179.494 177.584 -0.247 0.000 1.181 173 A CA 1.609 53.524 52.037 -0.202 0.000 0.623 173 A CB -0.621 18.243 19.000 -0.228 0.000 0.818 173 A HN 0.568 nan 8.150 nan 0.000 0.443 174 M N 0.047 119.433 119.600 -0.357 0.000 2.117 174 M HA -0.110 4.388 4.480 0.029 0.000 0.262 174 M C 1.942 178.108 176.300 -0.225 0.000 1.065 174 M CA 2.543 57.639 55.300 -0.340 0.000 1.114 174 M CB -0.884 31.454 32.600 -0.437 0.000 1.361 174 M HN 0.340 nan 8.290 nan 0.000 0.408 175 T N -0.222 114.209 114.554 -0.205 0.000 2.777 175 T HA -0.098 4.269 4.350 0.029 0.000 0.266 175 T C 1.685 176.305 174.700 -0.133 0.000 1.040 175 T CA 2.006 64.001 62.100 -0.174 0.000 1.141 175 T CB -0.578 68.201 68.868 -0.148 0.000 0.868 175 T HN 0.482 nan 8.240 nan 0.000 0.444 176 T N 1.981 116.464 114.554 -0.118 0.000 2.770 176 T HA -0.001 4.367 4.350 0.029 0.000 0.263 176 T C 2.029 176.684 174.700 -0.075 0.000 1.039 176 T CA 0.754 62.801 62.100 -0.089 0.000 1.142 176 T CB -0.039 68.779 68.868 -0.083 0.000 0.868 176 T HN 0.317 nan 8.240 nan 0.000 0.435 177 R N 0.163 120.612 120.500 -0.084 0.000 2.254 177 R HA 0.279 4.637 4.340 0.029 0.000 0.195 177 R C 1.489 177.774 176.300 -0.025 0.000 0.957 177 R CA 0.428 56.495 56.100 -0.055 0.000 1.024 177 R CB 0.179 30.440 30.300 -0.065 0.000 0.952 177 R HN 0.296 nan 8.270 nan 0.000 0.484 178 V N 0.091 119.987 119.914 -0.030 0.000 3.161 178 V HA 0.011 4.149 4.120 0.029 0.000 0.221 178 V C 2.038 178.152 176.094 0.034 0.000 1.296 178 V CA 0.162 62.486 62.300 0.039 0.000 1.306 178 V CB -0.123 31.744 31.823 0.073 0.000 1.171 178 V HN 0.005 nan 8.190 nan 0.000 0.513 179 L N 0.252 121.443 121.223 -0.053 0.000 1.961 179 L HA -0.179 4.178 4.340 0.029 0.000 0.210 179 L C 2.525 179.343 176.870 -0.088 0.000 1.072 179 L CA 2.050 56.829 54.840 -0.102 0.000 0.749 179 L CB -0.740 41.177 42.059 -0.238 0.000 0.889 179 L HN 0.268 nan 8.230 nan 0.000 0.432 180 K N -0.256 120.080 120.400 -0.107 0.000 2.032 180 K HA -0.173 4.164 4.320 0.029 0.000 0.209 180 K C -0.206 176.365 176.600 -0.048 0.000 1.048 180 K CA 1.727 57.960 56.287 -0.090 0.000 0.927 180 K CB -1.127 31.319 32.500 -0.089 0.000 0.712 180 K HN 0.233 nan 8.250 nan 0.000 0.441 181 P HA -0.157 nan 4.420 nan 0.000 0.218 181 P C 0.712 178.017 177.300 0.008 0.000 1.146 181 P CA 1.279 64.374 63.100 -0.009 0.000 0.813 181 P CB 0.090 31.792 31.700 0.003 0.000 0.778 182 L N -2.467 118.774 121.223 0.030 0.000 2.607 182 L HA 0.203 4.561 4.340 0.029 0.000 0.228 182 L C 0.349 177.239 176.870 0.033 0.000 1.123 182 L CA -0.137 54.737 54.840 0.057 0.000 0.890 182 L CB -0.344 41.805 42.059 0.150 0.000 1.103 182 L HN -0.208 nan 8.230 nan 0.000 0.468 183 K N 1.607 122.003 120.400 -0.005 0.000 3.244 183 K HA -0.141 4.196 4.320 0.029 0.000 0.270 183 K C -0.394 176.178 176.600 -0.046 0.000 1.016 183 K CA 0.620 56.885 56.287 -0.037 0.000 0.754 183 K CB -1.690 30.796 32.500 -0.024 0.000 1.326 183 K HN 0.311 nan 8.250 nan 0.000 0.465 184 L N 1.138 122.317 121.223 -0.073 0.000 2.466 184 L HA 0.130 4.488 4.340 0.029 0.000 0.248 184 L C 1.026 177.718 176.870 -0.297 0.000 1.240 184 L CA -0.346 54.422 54.840 -0.120 0.000 1.180 184 L CB 0.318 42.333 42.059 -0.073 0.000 1.413 184 L HN 0.024 nan 8.230 nan 0.000 0.406 185 D N -0.675 119.545 120.400 -0.299 0.000 2.340 185 D HA -0.002 4.655 4.640 0.029 0.000 0.220 185 D C 0.504 176.253 176.300 -0.919 0.000 1.039 185 D CA 0.724 54.412 54.000 -0.521 0.000 0.866 185 D CB 0.336 40.914 40.800 -0.370 0.000 0.913 185 D HN 0.521 nan 8.370 nan 0.000 0.523 186 H N -0.859 117.910 119.070 -0.501 0.000 2.591 186 H HA 0.267 4.841 4.556 0.030 0.000 0.241 186 H C -0.666 174.233 175.328 -0.715 0.000 1.292 186 H CA -0.110 55.636 56.048 -0.502 0.000 1.022 186 H CB 0.561 30.278 29.762 -0.074 0.000 1.875 186 H HN -0.243 nan 8.280 nan 0.000 0.570 187 T N 0.518 114.412 114.554 -1.101 0.000 2.840 187 T HA 0.306 4.674 4.350 0.029 0.000 0.287 187 T C -1.020 173.073 174.700 -1.012 0.000 0.991 187 T CA -0.680 60.923 62.100 -0.829 0.000 0.964 187 T CB 0.876 69.385 68.868 -0.597 0.000 0.954 187 T HN 0.270 nan 8.240 nan 0.000 0.438 188 W N 1.882 123.016 121.300 -0.276 0.000 2.936 188 W HA 0.605 5.282 4.660 0.028 0.000 0.338 188 W C 0.599 176.955 176.519 -0.272 0.000 1.121 188 W CA -0.972 56.220 57.345 -0.256 0.000 1.209 188 W CB 0.878 30.201 29.460 -0.228 0.000 1.420 188 W HN 0.469 nan 8.180 nan 0.000 0.516 189 I N 1.466 122.040 120.570 0.006 0.000 2.867 189 I HA 0.003 4.191 4.170 0.029 0.000 0.265 189 I C 0.079 176.177 176.117 -0.031 0.000 1.162 189 I CA 0.704 61.971 61.300 -0.054 0.000 1.471 189 I CB -0.071 37.896 38.000 -0.056 0.000 1.123 189 I HN 0.317 nan 8.210 nan 0.000 0.440 190 N N 1.119 119.824 118.700 0.008 0.000 2.448 190 N HA 0.271 5.029 4.740 0.029 0.000 0.279 190 N C -0.920 174.514 175.510 -0.127 0.000 1.025 190 N CA -0.219 52.802 53.050 -0.049 0.000 0.898 190 N CB 2.912 41.373 38.487 -0.043 0.000 1.303 190 N HN -0.244 nan 8.380 nan 0.000 0.495 191 V N 3.928 123.682 119.914 -0.267 0.000 2.470 191 V HA 0.191 4.329 4.120 0.029 0.000 0.276 191 V C -1.740 174.048 176.094 -0.509 0.000 1.040 191 V CA -1.107 60.852 62.300 -0.567 0.000 1.008 191 V CB 0.511 31.968 31.823 -0.611 0.000 0.990 191 V HN 0.476 nan 8.190 nan 0.000 0.477 192 P HA 0.100 nan 4.420 nan 0.000 0.268 192 P C 0.615 177.710 177.300 -0.342 0.000 1.205 192 P CA -0.379 62.438 63.100 -0.471 0.000 0.771 192 P CB 0.676 32.039 31.700 -0.562 0.000 0.858 193 K N 4.087 124.360 120.400 -0.212 0.000 2.089 193 K HA -0.231 4.106 4.320 0.029 0.000 0.210 193 K C 1.653 178.164 176.600 -0.149 0.000 1.048 193 K CA 2.263 58.461 56.287 -0.148 0.000 0.926 193 K CB -1.249 31.190 32.500 -0.101 0.000 0.714 193 K HN 0.450 nan 8.250 nan 0.000 0.448 194 A N 0.283 123.010 122.820 -0.155 0.000 2.248 194 A HA -0.066 4.271 4.320 0.029 0.000 0.210 194 A C 1.185 178.689 177.584 -0.133 0.000 1.174 194 A CA 1.397 53.361 52.037 -0.122 0.000 0.750 194 A CB -0.251 18.696 19.000 -0.090 0.000 0.780 194 A HN 0.437 nan 8.150 nan 0.000 0.478 195 E N -1.148 118.926 120.200 -0.210 0.000 2.539 195 E HA 0.004 4.372 4.350 0.029 0.000 0.215 195 E C 1.206 177.722 176.600 -0.140 0.000 0.965 195 E CA -0.126 56.187 56.400 -0.144 0.000 1.019 195 E CB -0.026 29.484 29.700 -0.316 0.000 1.059 195 E HN 0.691 nan 8.360 nan 0.000 0.496 196 E N 1.446 121.555 120.200 -0.152 0.000 2.267 196 E HA -0.138 4.229 4.350 0.029 0.000 0.197 196 E C 1.709 178.274 176.600 -0.058 0.000 0.998 196 E CA 0.789 57.153 56.400 -0.061 0.000 0.830 196 E CB 0.156 29.823 29.700 -0.054 0.000 0.751 196 E HN 0.163 nan 8.360 nan 0.000 0.491 197 A N -0.117 122.608 122.820 -0.158 0.000 2.070 197 A HA -0.170 4.167 4.320 0.029 0.000 0.220 197 A C 1.422 178.905 177.584 -0.170 0.000 1.159 197 A CA 1.332 53.257 52.037 -0.187 0.000 0.656 197 A CB -0.678 18.160 19.000 -0.271 0.000 0.800 197 A HN 0.358 nan 8.150 nan 0.000 0.453 198 H N -3.599 115.474 119.070 0.006 0.000 2.539 198 H HA 0.109 4.683 4.556 0.030 0.000 0.267 198 H C -0.067 175.290 175.328 0.049 0.000 0.982 198 H CA -0.044 56.014 56.048 0.017 0.000 1.146 198 H CB 0.134 29.901 29.762 0.008 0.000 1.382 198 H HN 0.447 nan 8.280 nan 0.000 0.577 199 Y N 2.546 122.813 120.300 -0.054 0.000 2.436 199 Y HA 0.375 4.942 4.550 0.029 0.000 0.343 199 Y C 0.301 176.088 175.900 -0.187 0.000 1.008 199 Y CA -1.952 56.063 58.100 -0.141 0.000 1.241 199 Y CB -0.608 37.712 38.460 -0.233 0.000 1.153 199 Y HN 0.140 nan 8.280 nan 0.000 0.521 200 A N 5.902 128.803 122.820 0.135 0.000 2.429 200 A HA 0.159 4.496 4.320 0.029 0.000 0.242 200 A C -0.690 176.810 177.584 -0.140 0.000 1.088 200 A CA -0.278 51.753 52.037 -0.009 0.000 0.784 200 A CB 0.204 19.130 19.000 -0.125 0.000 1.038 200 A HN 0.888 nan 8.150 nan 0.000 0.501 201 W N -0.338 120.916 121.300 -0.077 0.000 2.438 201 W HA 0.513 5.190 4.660 0.028 0.000 0.324 201 W C 0.733 176.957 176.519 -0.492 0.000 1.119 201 W CA 0.268 57.448 57.345 -0.274 0.000 1.221 201 W CB 1.573 30.809 29.460 -0.373 0.000 1.253 201 W HN 0.929 nan 8.180 nan 0.000 0.555 202 G N 1.322 109.977 108.800 -0.242 0.000 2.437 202 G HA2 0.587 4.565 3.960 0.029 0.000 0.319 202 G HA3 0.587 4.565 3.960 0.029 0.000 0.319 202 G C -2.228 172.300 174.900 -0.620 0.000 1.158 202 G CA -0.469 44.280 45.100 -0.585 0.000 0.899 202 G HN 0.416 nan 8.290 nan 0.000 0.502 203 Y N -0.205 120.041 120.300 -0.091 0.000 2.346 203 Y HA 0.496 5.064 4.550 0.029 0.000 0.332 203 Y C 0.876 176.776 175.900 0.001 0.000 0.985 203 Y CA -0.909 57.177 58.100 -0.024 0.000 1.112 203 Y CB 2.659 41.101 38.460 -0.031 0.000 1.170 203 Y HN 0.627 nan 8.280 nan 0.000 0.447 204 R N 0.611 121.185 120.500 0.124 0.000 2.013 204 R HA 0.266 4.624 4.340 0.029 0.000 0.198 204 R C -0.592 175.758 176.300 0.084 0.000 1.407 204 R CA 0.952 57.107 56.100 0.091 0.000 1.140 204 R CB 0.198 30.537 30.300 0.065 0.000 1.011 204 R HN 0.543 nan 8.270 nan 0.000 0.472 205 D N 0.105 120.545 120.400 0.068 0.000 2.863 205 D HA 0.306 4.964 4.640 0.029 0.000 0.323 205 D C -0.330 176.001 176.300 0.052 0.000 1.286 205 D CA 0.585 54.616 54.000 0.052 0.000 0.921 205 D CB 0.686 41.507 40.800 0.035 0.000 1.024 205 D HN 0.629 nan 8.370 nan 0.000 0.505 206 G N 1.462 110.307 108.800 0.075 0.000 2.168 206 G HA2 -0.326 3.652 3.960 0.029 0.000 0.257 206 G HA3 -0.326 3.652 3.960 0.029 0.000 0.257 206 G C 0.256 175.211 174.900 0.091 0.000 0.997 206 G CA 0.221 45.361 45.100 0.068 0.000 0.708 206 G HN 0.378 nan 8.290 nan 0.000 0.520 207 K N 0.054 120.517 120.400 0.104 0.000 2.376 207 K HA 0.683 5.021 4.320 0.029 0.000 0.257 207 K C 0.239 176.843 176.600 0.008 0.000 0.939 207 K CA -0.241 56.073 56.287 0.046 0.000 0.809 207 K CB 2.164 34.667 32.500 0.005 0.000 1.121 207 K HN 0.465 nan 8.250 nan 0.000 0.425 208 A N 2.535 125.268 122.820 -0.144 0.000 2.488 208 A HA 0.407 4.745 4.320 0.029 0.000 0.249 208 A C 0.150 177.617 177.584 -0.196 0.000 1.083 208 A CA -0.291 51.448 52.037 -0.496 0.000 0.768 208 A CB -0.100 18.398 19.000 -0.837 0.000 1.017 208 A HN 0.547 nan 8.150 nan 0.000 0.496 209 V N 0.479 120.375 119.914 -0.030 0.000 3.049 209 V HA 0.876 5.014 4.120 0.029 0.000 0.309 209 V C -0.522 175.712 176.094 0.232 0.000 1.148 209 V CA -1.137 61.249 62.300 0.144 0.000 0.990 209 V CB 1.894 33.763 31.823 0.078 0.000 1.039 209 V HN 0.949 nan 8.190 nan 0.000 0.430 210 R N 0.994 121.606 120.500 0.187 0.000 2.673 210 R HA 0.710 5.068 4.340 0.029 0.000 0.281 210 R C -0.876 175.482 176.300 0.097 0.000 0.991 210 R CA -0.814 55.339 56.100 0.088 0.000 0.896 210 R CB 2.434 32.622 30.300 -0.187 0.000 1.201 210 R HN 0.827 nan 8.270 nan 0.000 0.457 211 V N 2.485 122.468 119.914 0.115 0.000 2.928 211 V HA -0.004 4.134 4.120 0.029 0.000 0.307 211 V C -0.170 175.983 176.094 0.099 0.000 1.105 211 V CA 0.707 63.076 62.300 0.115 0.000 1.223 211 V CB 0.989 32.897 31.823 0.142 0.000 0.930 211 V HN 0.940 nan 8.190 nan 0.000 0.499 212 S N 7.129 122.889 115.700 0.100 0.000 2.593 212 S HA 0.713 5.200 4.470 0.029 0.000 0.297 212 S C -2.579 172.095 174.600 0.124 0.000 1.112 212 S CA -1.317 56.936 58.200 0.088 0.000 1.043 212 S CB 1.441 64.678 63.200 0.062 0.000 1.054 212 S HN 0.831 nan 8.310 nan 0.000 0.516 213 P HA 0.483 nan 4.420 nan 0.000 0.271 213 P C -0.134 177.221 177.300 0.091 0.000 1.216 213 P CA -0.032 63.111 63.100 0.073 0.000 0.776 213 P CB 0.626 32.344 31.700 0.030 0.000 0.881 214 G N 1.998 110.856 108.800 0.096 0.000 2.704 214 G HA2 0.463 4.441 3.960 0.029 0.000 0.293 214 G HA3 0.463 4.441 3.960 0.029 0.000 0.293 214 G C -0.646 174.263 174.900 0.014 0.000 1.421 214 G CA -0.800 44.360 45.100 0.099 0.000 0.870 214 G HN 0.298 nan 8.290 nan 0.000 0.492 215 M N 1.378 120.975 119.600 -0.004 0.000 2.252 215 M HA 0.113 4.610 4.480 0.029 0.000 0.348 215 M C 0.525 176.779 176.300 -0.076 0.000 1.334 215 M CA -0.013 55.259 55.300 -0.045 0.000 1.071 215 M CB 0.303 32.880 32.600 -0.040 0.000 1.763 215 M HN 0.598 nan 8.290 nan 0.000 0.452 216 L N 2.556 123.694 121.223 -0.143 0.000 4.560 216 L HA -0.298 4.059 4.340 0.029 0.000 0.415 216 L C 1.125 177.794 176.870 -0.336 0.000 1.123 216 L CA 1.494 56.206 54.840 -0.212 0.000 0.991 216 L CB -2.237 39.755 42.059 -0.111 0.000 2.127 216 L HN 0.792 nan 8.230 nan 0.000 0.765 217 D N -0.840 119.303 120.400 -0.428 0.000 2.078 217 D HA -0.115 4.543 4.640 0.029 0.000 0.193 217 D C 2.012 177.871 176.300 -0.734 0.000 0.990 217 D CA 1.535 54.966 54.000 -0.948 0.000 0.827 217 D CB -0.443 39.923 40.800 -0.723 0.000 0.975 217 D HN 0.410 nan 8.370 nan 0.000 0.451 218 A N 0.274 122.839 122.820 -0.424 0.000 1.958 218 A HA -0.316 4.022 4.320 0.029 0.000 0.221 218 A C 2.201 179.647 177.584 -0.230 0.000 1.178 218 A CA 2.397 54.279 52.037 -0.259 0.000 0.642 218 A CB -0.877 18.046 19.000 -0.128 0.000 0.816 218 A HN 0.271 nan 8.150 nan 0.000 0.453 219 Q N -1.395 118.168 119.800 -0.395 0.000 2.245 219 Q HA 0.277 4.635 4.340 0.029 0.000 0.201 219 Q C 1.850 177.773 176.000 -0.129 0.000 0.955 219 Q CA 1.526 57.148 55.803 -0.301 0.000 0.870 219 Q CB -0.175 28.309 28.738 -0.424 0.000 0.945 219 Q HN 0.687 nan 8.270 nan 0.000 0.461 220 A N -1.480 121.222 122.820 -0.197 0.000 2.312 220 A HA 0.212 4.550 4.320 0.029 0.000 0.215 220 A C 0.496 178.151 177.584 0.117 0.000 1.256 220 A CA 0.172 52.201 52.037 -0.014 0.000 0.966 220 A CB 0.312 19.346 19.000 0.056 0.000 1.053 220 A HN 0.452 nan 8.150 nan 0.000 0.510 221 Y N -5.069 115.242 120.300 0.018 0.000 2.978 221 Y HA 0.384 4.952 4.550 0.029 0.000 0.304 221 Y C 0.944 176.845 175.900 0.001 0.000 0.957 221 Y CA -0.228 57.890 58.100 0.030 0.000 1.204 221 Y CB -0.352 38.134 38.460 0.043 0.000 1.428 221 Y HN 0.006 nan 8.280 nan 0.000 0.584 222 G N 1.255 109.959 108.800 -0.160 0.000 3.523 222 G HA2 0.437 4.415 3.960 0.029 0.000 0.270 222 G HA3 0.437 4.415 3.960 0.029 0.000 0.270 222 G C -0.479 174.363 174.900 -0.098 0.000 1.134 222 G CA 0.005 45.048 45.100 -0.095 0.000 0.825 222 G HN 0.080 nan 8.290 nan 0.000 0.534 223 V N 0.458 120.303 119.914 -0.116 0.000 2.509 223 V HA 0.419 4.556 4.120 0.029 0.000 0.284 223 V C -0.232 175.763 176.094 -0.165 0.000 1.047 223 V CA -0.411 61.769 62.300 -0.200 0.000 0.952 223 V CB 1.537 33.142 31.823 -0.363 0.000 0.988 223 V HN 0.235 nan 8.190 nan 0.000 0.469 224 K N 2.709 123.005 120.400 -0.174 0.000 2.345 224 K HA 0.768 5.105 4.320 0.029 0.000 0.255 224 K C -0.521 176.030 176.600 -0.082 0.000 0.934 224 K CA -0.490 55.714 56.287 -0.138 0.000 0.801 224 K CB 2.203 34.552 32.500 -0.251 0.000 1.137 224 K HN 0.833 nan 8.250 nan 0.000 0.424 225 T N -0.626 113.926 114.554 -0.002 0.000 2.804 225 T HA 0.442 4.809 4.350 0.029 0.000 0.290 225 T C -0.810 173.995 174.700 0.175 0.000 1.099 225 T CA -1.204 60.921 62.100 0.041 0.000 1.011 225 T CB 1.025 69.908 68.868 0.025 0.000 1.291 225 T HN 0.665 nan 8.240 nan 0.000 0.523 226 N N -1.238 117.551 118.700 0.148 0.000 2.483 226 N HA 0.416 5.173 4.740 0.029 0.000 0.285 226 N C 0.500 176.097 175.510 0.144 0.000 1.210 226 N CA -1.088 52.069 53.050 0.178 0.000 0.931 226 N CB 0.948 39.471 38.487 0.061 0.000 1.220 226 N HN 0.310 nan 8.380 nan 0.000 0.542 227 V N 0.128 120.123 119.914 0.134 0.000 3.217 227 V HA -0.094 4.044 4.120 0.029 0.000 0.264 227 V C 1.753 177.939 176.094 0.153 0.000 1.135 227 V CA 1.556 63.943 62.300 0.145 0.000 1.142 227 V CB -0.851 31.072 31.823 0.166 0.000 0.754 227 V HN 0.660 nan 8.190 nan 0.000 0.484 228 Q N -0.767 119.025 119.800 -0.013 0.000 2.033 228 Q HA -0.144 4.214 4.340 0.029 0.000 0.196 228 Q C 1.933 178.002 176.000 0.114 0.000 0.970 228 Q CA 1.732 57.526 55.803 -0.014 0.000 0.828 228 Q CB -0.133 28.482 28.738 -0.205 0.000 0.895 228 Q HN 0.523 nan 8.270 nan 0.000 0.440 229 D N 0.456 120.904 120.400 0.081 0.000 2.144 229 D HA -0.154 4.503 4.640 0.029 0.000 0.199 229 D C 1.640 178.062 176.300 0.203 0.000 0.984 229 D CA 1.040 55.105 54.000 0.108 0.000 0.834 229 D CB -0.013 40.808 40.800 0.036 0.000 0.955 229 D HN 0.074 nan 8.370 nan 0.000 0.465 230 M N 0.250 119.977 119.600 0.213 0.000 2.296 230 M HA 0.046 4.544 4.480 0.029 0.000 0.265 230 M C 1.750 178.227 176.300 0.294 0.000 1.064 230 M CA 0.848 56.325 55.300 0.296 0.000 1.109 230 M CB -0.207 32.540 32.600 0.245 0.000 1.396 230 M HN -0.008 nan 8.290 nan 0.000 0.430 231 A N -0.243 122.722 122.820 0.243 0.000 1.929 231 A HA -0.087 4.250 4.320 0.029 0.000 0.216 231 A C 2.016 179.663 177.584 0.105 0.000 1.176 231 A CA 1.589 53.731 52.037 0.174 0.000 0.628 231 A CB -0.748 18.388 19.000 0.226 0.000 0.816 231 A HN 0.558 nan 8.150 nan 0.000 0.444 232 N N -0.967 117.821 118.700 0.147 0.000 2.244 232 N HA -0.142 4.616 4.740 0.029 0.000 0.183 232 N C 1.556 177.135 175.510 0.115 0.000 1.016 232 N CA 1.033 54.141 53.050 0.096 0.000 0.866 232 N CB -0.380 38.173 38.487 0.110 0.000 0.980 232 N HN 0.819 nan 8.380 nan 0.000 0.430 233 W N 1.797 123.101 121.300 0.007 0.000 2.355 233 W HA -0.151 4.526 4.660 0.028 0.000 0.309 233 W C 1.470 177.934 176.519 -0.091 0.000 1.206 233 W CA 0.916 58.255 57.345 -0.011 0.000 1.284 233 W CB -0.178 29.321 29.460 0.065 0.000 1.145 233 W HN -0.198 nan 8.180 nan 0.000 0.502 234 V N 2.027 121.868 119.914 -0.122 0.000 2.392 234 V HA -0.372 3.766 4.120 0.029 0.000 0.249 234 V C 2.455 178.166 176.094 -0.638 0.000 1.059 234 V CA 2.282 64.331 62.300 -0.419 0.000 1.051 234 V CB -0.827 30.878 31.823 -0.196 0.000 0.658 234 V HN 0.239 nan 8.190 nan 0.000 0.455 235 M N -0.424 118.953 119.600 -0.372 0.000 2.156 235 M HA -0.090 4.408 4.480 0.029 0.000 0.264 235 M C 2.439 178.511 176.300 -0.380 0.000 1.067 235 M CA 1.926 57.016 55.300 -0.351 0.000 1.131 235 M CB -0.584 31.898 32.600 -0.196 0.000 1.368 235 M HN 0.394 nan 8.290 nan 0.000 0.416 236 A N 0.891 123.512 122.820 -0.331 0.000 1.940 236 A HA -0.189 4.149 4.320 0.029 0.000 0.219 236 A C 1.741 179.064 177.584 -0.435 0.000 1.176 236 A CA 2.231 54.085 52.037 -0.305 0.000 0.631 236 A CB -0.983 17.896 19.000 -0.202 0.000 0.814 236 A HN 0.539 nan 8.150 nan 0.000 0.446 237 N N -1.161 117.132 118.700 -0.677 0.000 2.354 237 N HA -0.006 4.751 4.740 0.029 0.000 0.179 237 N C 1.700 176.744 175.510 -0.777 0.000 1.021 237 N CA 1.324 53.937 53.050 -0.728 0.000 0.887 237 N CB -0.238 37.690 38.487 -0.932 0.000 0.974 237 N HN 0.689 nan 8.380 nan 0.000 0.437 238 M N -0.213 118.804 119.600 -0.972 0.000 2.193 238 M HA 0.134 4.631 4.480 0.029 0.000 0.265 238 M C -0.113 175.948 176.300 -0.398 0.000 1.071 238 M CA 1.112 55.902 55.300 -0.850 0.000 1.140 238 M CB 0.396 32.465 32.600 -0.885 0.000 1.369 238 M HN -0.002 nan 8.290 nan 0.000 0.423 239 A N 1.131 123.748 122.820 -0.339 0.000 3.159 239 A HA 0.481 4.819 4.320 0.029 0.000 0.330 239 A C -2.264 175.206 177.584 -0.190 0.000 1.032 239 A CA -1.176 50.730 52.037 -0.217 0.000 0.841 239 A CB -0.004 18.887 19.000 -0.181 0.000 1.093 239 A HN 0.355 nan 8.150 nan 0.000 0.478 240 P HA -0.145 nan 4.420 nan 0.000 0.239 240 P C 1.027 178.265 177.300 -0.104 0.000 1.184 240 P CA 0.756 63.767 63.100 -0.150 0.000 0.760 240 P CB 0.181 31.798 31.700 -0.138 0.000 0.884 241 E N 1.341 121.483 120.200 -0.097 0.000 2.209 241 E HA -0.173 4.195 4.350 0.029 0.000 0.196 241 E C 0.642 177.203 176.600 -0.065 0.000 0.993 241 E CA 0.982 57.337 56.400 -0.074 0.000 0.819 241 E CB -1.039 28.618 29.700 -0.072 0.000 0.745 241 E HN 0.533 nan 8.360 nan 0.000 0.477 242 N N 1.237 119.893 118.700 -0.074 0.000 2.321 242 N HA 0.152 4.909 4.740 0.029 0.000 0.242 242 N C -0.437 175.041 175.510 -0.054 0.000 1.141 242 N CA -0.196 52.817 53.050 -0.060 0.000 0.864 242 N CB 1.103 39.552 38.487 -0.062 0.000 1.100 242 N HN -0.115 nan 8.380 nan 0.000 0.510 243 V N 1.590 121.471 119.914 -0.055 0.000 2.408 243 V HA 0.201 4.338 4.120 0.029 0.000 0.267 243 V C 1.387 177.463 176.094 -0.030 0.000 1.047 243 V CA -0.224 62.052 62.300 -0.041 0.000 0.937 243 V CB 0.862 32.659 31.823 -0.044 0.000 0.999 243 V HN 0.349 nan 8.190 nan 0.000 0.472 244 A N 4.550 127.356 122.820 -0.023 0.000 1.824 244 A HA -0.062 4.276 4.320 0.029 0.000 0.215 244 A C 0.915 178.490 177.584 -0.015 0.000 1.209 244 A CA 0.774 52.799 52.037 -0.020 0.000 0.614 244 A CB -0.478 18.511 19.000 -0.017 0.000 0.852 244 A HN 0.764 nan 8.150 nan 0.000 0.447 245 D N 0.510 120.903 120.400 -0.011 0.000 2.554 245 D HA 0.265 4.922 4.640 0.029 0.000 0.251 245 D C 1.159 177.455 176.300 -0.007 0.000 1.213 245 D CA 0.870 54.865 54.000 -0.008 0.000 0.900 245 D CB 0.702 41.499 40.800 -0.004 0.000 1.135 245 D HN 0.398 nan 8.370 nan 0.000 0.522 246 A N 2.841 125.656 122.820 -0.007 0.000 1.972 246 A HA -0.198 4.140 4.320 0.029 0.000 0.219 246 A C 2.134 179.717 177.584 -0.001 0.000 1.169 246 A CA 1.783 53.816 52.037 -0.006 0.000 0.635 246 A CB -0.320 18.676 19.000 -0.006 0.000 0.810 246 A HN 0.552 nan 8.150 nan 0.000 0.446 247 S N -0.764 114.937 115.700 0.002 0.000 2.436 247 S HA 0.064 4.552 4.470 0.029 0.000 0.228 247 S C 1.861 176.471 174.600 0.016 0.000 1.014 247 S CA 0.938 59.143 58.200 0.008 0.000 0.950 247 S CB -0.418 62.785 63.200 0.005 0.000 0.784 247 S HN 0.456 nan 8.310 nan 0.000 0.504 248 L N 1.093 122.325 121.223 0.016 0.000 2.131 248 L HA 0.072 4.430 4.340 0.029 0.000 0.206 248 L C 2.805 179.688 176.870 0.021 0.000 1.087 248 L CA 1.345 56.203 54.840 0.030 0.000 0.767 248 L CB -0.332 41.748 42.059 0.034 0.000 0.917 248 L HN 0.374 nan 8.230 nan 0.000 0.441 249 K N -0.288 120.113 120.400 0.002 0.000 2.097 249 K HA -0.284 4.053 4.320 0.029 0.000 0.206 249 K C 2.066 178.663 176.600 -0.006 0.000 1.049 249 K CA 1.718 57.995 56.287 -0.016 0.000 0.933 249 K CB 0.069 32.554 32.500 -0.025 0.000 0.717 249 K HN 0.182 nan 8.250 nan 0.000 0.442 250 Q N 0.237 120.042 119.800 0.008 0.000 2.172 250 Q HA -0.040 4.317 4.340 0.029 0.000 0.200 250 Q C 1.777 177.802 176.000 0.042 0.000 0.964 250 Q CA 1.924 57.737 55.803 0.018 0.000 0.855 250 Q CB -0.588 28.161 28.738 0.019 0.000 0.918 250 Q HN 0.403 nan 8.270 nan 0.000 0.444 251 G N 0.734 109.565 108.800 0.052 0.000 2.459 251 G HA2 -0.242 3.736 3.960 0.029 0.000 0.217 251 G HA3 -0.242 3.736 3.960 0.029 0.000 0.217 251 G C 1.446 176.407 174.900 0.102 0.000 1.183 251 G CA 1.037 46.187 45.100 0.085 0.000 0.776 251 G HN 0.427 nan 8.290 nan 0.000 0.552 252 I N 1.601 122.210 120.570 0.065 0.000 2.194 252 I HA -0.232 3.956 4.170 0.029 0.000 0.246 252 I C 3.274 179.419 176.117 0.047 0.000 1.093 252 I CA 1.148 62.473 61.300 0.041 0.000 1.355 252 I CB -0.178 37.787 38.000 -0.058 0.000 1.046 252 I HN 0.246 nan 8.210 nan 0.000 0.413 253 A N 0.621 123.456 122.820 0.025 0.000 1.933 253 A HA -0.138 4.200 4.320 0.029 0.000 0.218 253 A C 2.266 179.882 177.584 0.053 0.000 1.175 253 A CA 1.427 53.474 52.037 0.016 0.000 0.628 253 A CB -0.790 18.209 19.000 -0.001 0.000 0.814 253 A HN 0.422 nan 8.150 nan 0.000 0.444 254 L N -1.099 120.185 121.223 0.101 0.000 2.217 254 L HA -0.066 4.292 4.340 0.029 0.000 0.211 254 L C 2.892 179.921 176.870 0.265 0.000 1.107 254 L CA 0.771 55.713 54.840 0.169 0.000 0.783 254 L CB -0.418 41.754 42.059 0.189 0.000 0.919 254 L HN 0.407 nan 8.230 nan 0.000 0.442 255 A N -0.769 122.197 122.820 0.244 0.000 2.066 255 A HA -0.131 4.206 4.320 0.029 0.000 0.218 255 A C 2.019 179.820 177.584 0.361 0.000 1.157 255 A CA 0.982 53.218 52.037 0.331 0.000 0.670 255 A CB -0.155 19.062 19.000 0.362 0.000 0.804 255 A HN 0.448 nan 8.150 nan 0.000 0.453 256 Q N -0.088 119.834 119.800 0.203 0.000 2.198 256 Q HA 0.232 4.590 4.340 0.029 0.000 0.209 256 Q C -0.372 175.637 176.000 0.014 0.000 0.848 256 Q CA -0.320 55.540 55.803 0.095 0.000 0.974 256 Q CB 0.516 29.235 28.738 -0.031 0.000 1.115 256 Q HN 0.468 nan 8.270 nan 0.000 0.494 257 S N 0.598 116.291 115.700 -0.011 0.000 2.601 257 S HA 0.328 4.816 4.470 0.029 0.000 0.271 257 S C -0.074 174.332 174.600 -0.323 0.000 1.305 257 S CA -0.344 57.719 58.200 -0.228 0.000 1.022 257 S CB 0.692 63.655 63.200 -0.395 0.000 0.940 257 S HN 0.216 nan 8.310 nan 0.000 0.525 258 R N 1.452 121.745 120.500 -0.345 0.000 2.207 258 R HA 0.283 4.641 4.340 0.029 0.000 0.334 258 R C -0.423 175.673 176.300 -0.341 0.000 1.013 258 R CA -0.112 55.885 56.100 -0.171 0.000 0.858 258 R CB 0.419 30.699 30.300 -0.034 0.000 1.094 258 R HN 0.671 nan 8.270 nan 0.000 0.457 259 Y N 0.419 120.689 120.300 -0.050 0.000 2.503 259 Y HA 0.191 4.759 4.550 0.029 0.000 0.277 259 Y C -0.003 175.579 175.900 -0.529 0.000 1.102 259 Y CA 0.088 57.956 58.100 -0.386 0.000 1.261 259 Y CB 0.625 38.771 38.460 -0.523 0.000 1.096 259 Y HN 0.446 nan 8.280 nan 0.000 0.546 260 W N 0.251 121.698 121.300 0.246 0.000 3.259 260 W HA 0.462 5.139 4.660 0.029 0.000 0.331 260 W C -0.527 176.042 176.519 0.083 0.000 1.144 260 W CA -1.082 56.355 57.345 0.153 0.000 1.227 260 W CB 1.105 30.647 29.460 0.138 0.000 1.371 260 W HN -0.520 nan 8.180 nan 0.000 0.491 261 R N 3.371 124.008 120.500 0.228 0.000 2.207 261 R HA 0.500 4.858 4.340 0.029 0.000 0.334 261 R C -1.025 175.216 176.300 -0.098 0.000 1.013 261 R CA -0.516 55.487 56.100 -0.161 0.000 0.858 261 R CB 0.561 30.721 30.300 -0.233 0.000 1.094 261 R HN 0.627 nan 8.270 nan 0.000 0.457 262 I N 5.414 125.895 120.570 -0.148 0.000 2.697 262 I HA 0.250 4.438 4.170 0.029 0.000 0.279 262 I C 0.942 176.993 176.117 -0.109 0.000 1.171 262 I CA 0.150 61.399 61.300 -0.085 0.000 1.135 262 I CB 1.442 39.427 38.000 -0.024 0.000 1.445 262 I HN 1.018 nan 8.210 nan 0.000 0.541 263 G N 3.688 112.413 108.800 -0.124 0.000 2.779 263 G HA2 -0.357 3.621 3.960 0.029 0.000 0.284 263 G HA3 -0.357 3.621 3.960 0.029 0.000 0.284 263 G C 0.953 175.786 174.900 -0.112 0.000 1.326 263 G CA 0.458 45.502 45.100 -0.092 0.000 0.983 263 G HN 0.575 nan 8.290 nan 0.000 0.555 264 S N 0.322 115.988 115.700 -0.056 0.000 2.535 264 S HA 0.554 5.042 4.470 0.029 0.000 0.214 264 S C 1.001 175.637 174.600 0.061 0.000 0.980 264 S CA 1.197 59.400 58.200 0.006 0.000 0.907 264 S CB 0.354 63.567 63.200 0.022 0.000 0.790 264 S HN 0.891 nan 8.310 nan 0.000 0.510 265 M N 1.230 120.813 119.600 -0.027 0.000 2.578 265 M HA 0.510 5.008 4.480 0.029 0.000 0.321 265 M C -2.129 174.109 176.300 -0.102 0.000 1.182 265 M CA -0.640 54.718 55.300 0.097 0.000 0.965 265 M CB 1.782 34.469 32.600 0.146 0.000 1.694 265 M HN 0.205 nan 8.290 nan 0.000 0.461 266 Y N 1.830 122.241 120.300 0.185 0.000 2.329 266 Y HA 0.329 4.897 4.550 0.029 0.000 0.328 266 Y C -0.355 175.696 175.900 0.251 0.000 0.992 266 Y CA -0.837 57.382 58.100 0.198 0.000 1.151 266 Y CB 1.697 40.240 38.460 0.138 0.000 1.150 266 Y HN 0.631 nan 8.280 nan 0.000 0.450 267 Q N 2.017 122.075 119.800 0.431 0.000 2.293 267 Q HA 0.627 4.984 4.340 0.029 0.000 0.251 267 Q C 0.040 176.315 176.000 0.458 0.000 0.930 267 Q CA 0.020 56.089 55.803 0.443 0.000 0.893 267 Q CB 1.233 30.258 28.738 0.478 0.000 1.215 267 Q HN 0.866 nan 8.270 nan 0.000 0.425 268 G N 1.889 110.944 108.800 0.425 0.000 3.119 268 G HA2 0.489 4.467 3.960 0.029 0.000 0.206 268 G HA3 0.489 4.467 3.960 0.029 0.000 0.206 268 G C -1.363 173.722 174.900 0.310 0.000 1.313 268 G CA -0.752 44.626 45.100 0.463 0.000 1.010 268 G HN 0.499 nan 8.290 nan 0.000 0.578 269 L N 1.578 122.959 121.223 0.263 0.000 2.282 269 L HA 0.473 4.831 4.340 0.029 0.000 0.287 269 L C 1.500 178.423 176.870 0.088 0.000 1.075 269 L CA 0.768 55.638 54.840 0.049 0.000 0.839 269 L CB -0.426 41.656 42.059 0.038 0.000 1.219 269 L HN 1.204 nan 8.230 nan 0.000 0.434 270 G N 2.580 111.404 108.800 0.040 0.000 3.444 270 G HA2 -0.313 3.664 3.960 0.029 0.000 0.222 270 G HA3 -0.313 3.664 3.960 0.029 0.000 0.222 270 G C 0.265 175.208 174.900 0.073 0.000 1.358 270 G CA 0.087 45.199 45.100 0.020 0.000 0.880 270 G HN 0.470 nan 8.290 nan 0.000 0.555 271 W N 2.377 123.792 121.300 0.192 0.000 2.137 271 W HA 0.567 5.245 4.660 0.029 0.000 0.344 271 W C 0.880 177.524 176.519 0.209 0.000 1.286 271 W CA -0.156 57.291 57.345 0.170 0.000 1.240 271 W CB 0.385 29.916 29.460 0.117 0.000 1.141 271 W HN 0.366 nan 8.180 nan 0.000 0.579 272 E N 1.122 121.643 120.200 0.535 0.000 2.336 272 E HA 0.656 5.023 4.350 0.029 0.000 0.267 272 E C -0.959 175.903 176.600 0.437 0.000 0.906 272 E CA -1.246 55.430 56.400 0.460 0.000 0.781 272 E CB 1.988 31.948 29.700 0.433 0.000 1.261 272 E HN 0.171 nan 8.360 nan 0.000 0.436 273 M N 1.248 121.079 119.600 0.384 0.000 2.593 273 M HA 0.489 4.986 4.480 0.029 0.000 0.290 273 M C -1.638 174.877 176.300 0.359 0.000 1.244 273 M CA -0.334 55.136 55.300 0.282 0.000 0.857 273 M CB 1.903 34.595 32.600 0.154 0.000 1.738 273 M HN 0.350 nan 8.290 nan 0.000 0.461 274 L N 0.733 122.136 121.223 0.300 0.000 2.393 274 L HA 0.593 4.951 4.340 0.029 0.000 0.260 274 L C -0.803 176.211 176.870 0.240 0.000 1.002 274 L CA -0.678 54.349 54.840 0.311 0.000 0.818 274 L CB 2.184 44.381 42.059 0.230 0.000 1.369 274 L HN 0.611 nan 8.230 nan 0.000 0.412 275 N N 0.380 119.202 118.700 0.204 0.000 2.530 275 N HA 0.158 4.916 4.740 0.029 0.000 0.273 275 N C -1.348 174.297 175.510 0.225 0.000 1.173 275 N CA -0.279 52.855 53.050 0.140 0.000 0.967 275 N CB 0.920 39.448 38.487 0.069 0.000 1.109 275 N HN 0.513 nan 8.380 nan 0.000 0.453 276 W N 3.960 125.287 121.300 0.044 0.000 2.361 276 W HA 0.350 5.028 4.660 0.031 0.000 0.309 276 W C -2.195 174.346 176.519 0.037 0.000 1.122 276 W CA -1.489 55.893 57.345 0.062 0.000 1.208 276 W CB 0.960 30.467 29.460 0.078 0.000 1.246 276 W HN 0.457 nan 8.180 nan 0.000 0.490 277 P HA 0.378 nan 4.420 nan 0.000 0.284 277 P C -1.609 175.257 177.300 -0.725 0.000 1.258 277 P CA -0.400 61.818 63.100 -1.470 0.000 0.824 277 P CB 2.654 33.661 31.700 -1.154 0.000 1.038 278 V N 1.104 120.538 119.914 -0.800 0.000 2.623 278 V HA 0.226 4.363 4.120 0.029 0.000 0.304 278 V C -0.213 175.721 176.094 -0.268 0.000 1.054 278 V CA -0.754 61.363 62.300 -0.306 0.000 0.882 278 V CB 1.723 33.495 31.823 -0.085 0.000 1.002 278 V HN 0.542 nan 8.190 nan 0.000 0.424 279 E N 3.315 123.364 120.200 -0.252 0.000 2.436 279 E HA 0.328 4.696 4.350 0.029 0.000 0.262 279 E C 1.102 177.408 176.600 -0.489 0.000 1.063 279 E CA 1.003 57.240 56.400 -0.273 0.000 0.944 279 E CB 1.402 30.976 29.700 -0.209 0.000 0.950 279 E HN 0.816 nan 8.360 nan 0.000 0.444 280 A N 3.610 126.005 122.820 -0.709 0.000 1.865 280 A HA -0.240 4.097 4.320 0.029 0.000 0.217 280 A C 1.740 178.996 177.584 -0.546 0.000 1.191 280 A CA 1.822 53.229 52.037 -1.049 0.000 0.623 280 A CB -0.521 17.982 19.000 -0.829 0.000 0.826 280 A HN 0.631 nan 8.150 nan 0.000 0.444 281 N N -0.347 118.150 118.700 -0.339 0.000 2.381 281 N HA -0.104 4.653 4.740 0.029 0.000 0.182 281 N C 1.878 177.280 175.510 -0.180 0.000 1.025 281 N CA 1.814 54.734 53.050 -0.218 0.000 0.888 281 N CB -0.515 37.879 38.487 -0.155 0.000 0.965 281 N HN 0.728 nan 8.380 nan 0.000 0.438 282 T N -2.131 112.306 114.554 -0.195 0.000 2.737 282 T HA -0.048 4.320 4.350 0.029 0.000 0.265 282 T C 2.078 176.704 174.700 -0.124 0.000 1.038 282 T CA 1.139 63.157 62.100 -0.137 0.000 1.144 282 T CB -0.745 68.048 68.868 -0.125 0.000 0.866 282 T HN -0.093 nan 8.240 nan 0.000 0.434 283 V N 1.336 121.131 119.914 -0.199 0.000 2.358 283 V HA -0.100 4.038 4.120 0.029 0.000 0.246 283 V C 2.916 178.965 176.094 -0.076 0.000 1.047 283 V CA 1.121 63.328 62.300 -0.155 0.000 1.035 283 V CB -0.804 30.802 31.823 -0.361 0.000 0.658 283 V HN 0.352 nan 8.190 nan 0.000 0.452 284 V N 0.163 119.991 119.914 -0.143 0.000 2.307 284 V HA -0.254 3.884 4.120 0.029 0.000 0.245 284 V C 2.438 178.499 176.094 -0.054 0.000 1.045 284 V CA 2.172 64.419 62.300 -0.088 0.000 1.024 284 V CB -0.601 31.151 31.823 -0.118 0.000 0.651 284 V HN 0.588 nan 8.190 nan 0.000 0.449 285 E N 0.277 120.438 120.200 -0.065 0.000 2.152 285 E HA -0.081 4.287 4.350 0.029 0.000 0.192 285 E C 2.256 178.841 176.600 -0.024 0.000 0.983 285 E CA 0.983 57.357 56.400 -0.044 0.000 0.818 285 E CB -0.489 29.180 29.700 -0.051 0.000 0.758 285 E HN 0.623 nan 8.360 nan 0.000 0.467 286 G N 0.951 109.745 108.800 -0.011 0.000 2.470 286 G HA2 -0.295 3.682 3.960 0.029 0.000 0.220 286 G HA3 -0.295 3.682 3.960 0.029 0.000 0.220 286 G C 1.652 176.574 174.900 0.037 0.000 1.121 286 G CA 1.081 46.193 45.100 0.021 0.000 0.766 286 G HN 0.394 nan 8.290 nan 0.000 0.553 287 S N -0.336 115.386 115.700 0.037 0.000 2.489 287 S HA 0.012 4.499 4.470 0.029 0.000 0.228 287 S C 0.810 175.397 174.600 -0.022 0.000 0.995 287 S CA 0.119 58.333 58.200 0.025 0.000 0.934 287 S CB -0.020 63.195 63.200 0.025 0.000 0.771 287 S HN 0.240 nan 8.310 nan 0.000 0.522 288 D N 1.746 122.132 120.400 -0.022 0.000 2.443 288 D HA 0.177 4.834 4.640 0.029 0.000 0.239 288 D C 0.741 177.018 176.300 -0.038 0.000 1.136 288 D CA 0.206 54.188 54.000 -0.029 0.000 0.879 288 D CB 1.397 42.182 40.800 -0.024 0.000 1.195 288 D HN 0.163 nan 8.370 nan 0.000 0.443 289 S N 2.577 118.253 115.700 -0.040 0.000 2.440 289 S HA -0.160 4.327 4.470 0.029 0.000 0.238 289 S C 1.659 176.240 174.600 -0.033 0.000 1.010 289 S CA 0.879 59.051 58.200 -0.046 0.000 0.972 289 S CB 0.068 63.247 63.200 -0.035 0.000 0.774 289 S HN 0.456 nan 8.310 nan 0.000 0.501 290 K N 0.416 120.802 120.400 -0.024 0.000 2.152 290 K HA -0.120 4.217 4.320 0.029 0.000 0.206 290 K C 1.750 178.338 176.600 -0.019 0.000 1.048 290 K CA 1.601 57.878 56.287 -0.016 0.000 0.933 290 K CB -0.020 32.471 32.500 -0.014 0.000 0.721 290 K HN 0.392 nan 8.250 nan 0.000 0.447 291 V N -2.841 117.057 119.914 -0.027 0.000 2.721 291 V HA 0.180 4.317 4.120 0.029 0.000 0.236 291 V C 2.056 178.124 176.094 -0.043 0.000 1.116 291 V CA 0.692 62.975 62.300 -0.029 0.000 1.148 291 V CB -0.942 30.868 31.823 -0.022 0.000 0.886 291 V HN 0.129 nan 8.190 nan 0.000 0.490 292 A N 0.983 123.766 122.820 -0.061 0.000 1.954 292 A HA -0.183 4.155 4.320 0.029 0.000 0.222 292 A C 2.044 179.548 177.584 -0.133 0.000 1.199 292 A CA 2.600 54.567 52.037 -0.116 0.000 0.657 292 A CB -0.842 18.065 19.000 -0.155 0.000 0.823 292 A HN 0.596 nan 8.150 nan 0.000 0.463 293 L N -1.673 119.503 121.223 -0.079 0.000 2.818 293 L HA 0.384 4.742 4.340 0.029 0.000 0.243 293 L C 0.604 177.474 176.870 0.000 0.000 1.185 293 L CA 0.004 54.824 54.840 -0.033 0.000 0.988 293 L CB -0.137 41.910 42.059 -0.020 0.000 1.292 293 L HN 0.377 nan 8.230 nan 0.000 0.519 294 A N 1.564 124.374 122.820 -0.017 0.000 2.304 294 A HA 0.680 5.018 4.320 0.029 0.000 0.323 294 A C -2.438 175.119 177.584 -0.046 0.000 1.195 294 A CA -1.435 50.595 52.037 -0.012 0.000 0.826 294 A CB 0.498 19.489 19.000 -0.015 0.000 1.184 294 A HN -0.115 nan 8.150 nan 0.000 0.496 295 P HA 0.321 nan 4.420 nan 0.000 0.271 295 P C -0.968 176.193 177.300 -0.232 0.000 1.233 295 P CA 0.403 63.384 63.100 -0.197 0.000 0.764 295 P CB 0.546 32.083 31.700 -0.270 0.000 0.825 296 L N 6.031 127.110 121.223 -0.241 0.000 2.323 296 L HA 0.602 4.960 4.340 0.029 0.000 0.265 296 L C -2.013 174.696 176.870 -0.269 0.000 1.012 296 L CA -2.588 52.130 54.840 -0.203 0.000 0.820 296 L CB 2.395 44.381 42.059 -0.121 0.000 1.334 296 L HN 0.220 nan 8.230 nan 0.000 0.427 297 P HA 0.256 nan 4.420 nan 0.000 0.279 297 P C -1.250 175.938 177.300 -0.187 0.000 1.282 297 P CA -0.312 62.650 63.100 -0.229 0.000 0.788 297 P CB 1.982 33.594 31.700 -0.147 0.000 1.139 298 V N -0.703 119.104 119.914 -0.180 0.000 3.078 298 V HA 0.481 4.618 4.120 0.029 0.000 0.311 298 V C -1.339 174.761 176.094 0.010 0.000 1.138 298 V CA -0.945 61.274 62.300 -0.135 0.000 1.007 298 V CB 2.522 34.114 31.823 -0.384 0.000 1.045 298 V HN 0.209 nan 8.190 nan 0.000 0.432 299 V N 4.137 124.142 119.914 0.153 0.000 2.398 299 V HA 0.398 4.536 4.120 0.029 0.000 0.282 299 V C 0.003 176.326 176.094 0.382 0.000 1.014 299 V CA -0.594 61.836 62.300 0.215 0.000 0.838 299 V CB 1.257 33.145 31.823 0.108 0.000 1.018 299 V HN 1.007 nan 8.190 nan 0.000 0.432 300 E N 2.878 123.382 120.200 0.507 0.000 2.608 300 E HA 0.041 4.409 4.350 0.029 0.000 0.259 300 E C -0.455 176.203 176.600 0.097 0.000 0.951 300 E CA 0.190 56.775 56.400 0.308 0.000 0.945 300 E CB 0.803 30.633 29.700 0.216 0.000 0.916 300 E HN 0.504 nan 8.360 nan 0.000 0.477 301 V N 6.506 126.394 119.914 -0.043 0.000 2.320 301 V HA 0.181 4.318 4.120 0.029 0.000 0.265 301 V C 0.012 176.039 176.094 -0.110 0.000 1.048 301 V CA -0.486 61.791 62.300 -0.039 0.000 0.865 301 V CB 0.562 32.372 31.823 -0.023 0.000 1.043 301 V HN 0.566 nan 8.190 nan 0.000 0.474 302 N N 6.142 124.810 118.700 -0.054 0.000 2.461 302 N HA 0.472 5.230 4.740 0.029 0.000 0.284 302 N C -2.330 173.163 175.510 -0.028 0.000 1.049 302 N CA -0.934 52.084 53.050 -0.052 0.000 0.889 302 N CB 2.783 41.254 38.487 -0.026 0.000 1.365 302 N HN 0.445 nan 8.380 nan 0.000 0.499 303 P HA 0.409 nan 4.420 nan 0.000 0.274 303 P C -2.794 174.449 177.300 -0.095 0.000 1.231 303 P CA -0.990 62.079 63.100 -0.052 0.000 0.790 303 P CB -0.303 31.376 31.700 -0.034 0.000 0.951 304 P HA 0.065 nan 4.420 nan 0.000 0.261 304 P C -0.351 176.810 177.300 -0.232 0.000 1.183 304 P CA 0.398 63.333 63.100 -0.275 0.000 0.761 304 P CB 0.043 31.481 31.700 -0.437 0.000 0.785 305 A N 6.518 129.208 122.820 -0.217 0.000 2.354 305 A HA 0.513 4.851 4.320 0.029 0.000 0.269 305 A C -2.043 175.427 177.584 -0.190 0.000 1.109 305 A CA -1.461 50.479 52.037 -0.163 0.000 0.800 305 A CB -0.556 18.368 19.000 -0.127 0.000 1.045 305 A HN 0.378 nan 8.150 nan 0.000 0.489 306 P HA 0.210 nan 4.420 nan 0.000 0.272 306 P C -2.658 174.576 177.300 -0.110 0.000 1.240 306 P CA -1.255 61.777 63.100 -0.115 0.000 0.791 306 P CB -0.639 31.015 31.700 -0.078 0.000 0.978 307 P HA -0.062 nan 4.420 nan 0.000 0.264 307 P C -0.295 176.952 177.300 -0.089 0.000 1.183 307 P CA 0.421 63.468 63.100 -0.089 0.000 0.763 307 P CB 0.114 31.771 31.700 -0.072 0.000 0.807 308 V N 3.544 123.398 119.914 -0.099 0.000 2.357 308 V HA 0.202 4.340 4.120 0.029 0.000 0.284 308 V C 1.275 177.329 176.094 -0.066 0.000 1.018 308 V CA -0.614 61.636 62.300 -0.083 0.000 0.841 308 V CB 1.134 32.900 31.823 -0.096 0.000 0.991 308 V HN 0.308 nan 8.190 nan 0.000 0.437 309 K N 4.950 125.319 120.400 -0.051 0.000 2.089 309 K HA -0.123 4.215 4.320 0.029 0.000 0.210 309 K C 1.508 178.092 176.600 -0.027 0.000 1.048 309 K CA 1.765 58.026 56.287 -0.043 0.000 0.926 309 K CB -0.794 31.685 32.500 -0.035 0.000 0.714 309 K HN 1.051 nan 8.250 nan 0.000 0.448 310 A N 2.274 125.099 122.820 0.008 0.000 2.863 310 A HA 0.120 4.458 4.320 0.029 0.000 0.246 310 A C -0.337 177.315 177.584 0.112 0.000 1.772 310 A CA 0.090 52.178 52.037 0.085 0.000 1.456 310 A CB -0.522 18.534 19.000 0.094 0.000 0.930 310 A HN 0.133 nan 8.150 nan 0.000 0.630 311 S N -0.166 115.559 115.700 0.041 0.000 2.548 311 S HA 0.426 4.914 4.470 0.029 0.000 0.286 311 S C -0.711 173.891 174.600 0.005 0.000 1.098 311 S CA -0.617 57.617 58.200 0.057 0.000 0.930 311 S CB 1.034 64.202 63.200 -0.054 0.000 1.070 311 S HN 0.614 nan 8.310 nan 0.000 0.480 312 W N 4.870 126.132 121.300 -0.062 0.000 2.497 312 W HA 0.454 5.131 4.660 0.029 0.000 0.354 312 W C -0.696 175.648 176.519 -0.291 0.000 1.111 312 W CA -0.462 56.769 57.345 -0.190 0.000 1.510 312 W CB 0.237 29.709 29.460 0.021 0.000 1.466 312 W HN 0.490 nan 8.180 nan 0.000 0.409 313 V N 8.526 128.015 119.914 -0.708 0.000 2.472 313 V HA 0.564 4.702 4.120 0.029 0.000 0.290 313 V C -0.553 175.139 176.094 -0.669 0.000 1.037 313 V CA -0.049 61.840 62.300 -0.685 0.000 0.908 313 V CB 1.501 32.655 31.823 -1.116 0.000 0.985 313 V HN 0.678 nan 8.190 nan 0.000 0.454 314 H N 3.230 122.177 119.070 -0.205 0.000 2.933 314 H HA 0.822 5.396 4.556 0.029 0.000 0.310 314 H C -1.553 173.968 175.328 0.322 0.000 1.351 314 H CA -1.540 54.485 56.048 -0.038 0.000 1.137 314 H CB 1.642 31.411 29.762 0.011 0.000 1.853 314 H HN 0.723 nan 8.280 nan 0.000 0.539 315 K N 0.400 120.851 120.400 0.084 0.000 2.579 315 K HA 0.349 4.687 4.320 0.029 0.000 0.257 315 K C -1.182 175.454 176.600 0.059 0.000 0.950 315 K CA 0.246 56.548 56.287 0.026 0.000 0.862 315 K CB 1.341 33.886 32.500 0.075 0.000 1.317 315 K HN 1.165 nan 8.250 nan 0.000 0.436 316 T N 0.117 114.747 114.554 0.127 0.000 2.927 316 T HA 0.904 5.272 4.350 0.029 0.000 0.281 316 T C 0.162 174.939 174.700 0.128 0.000 0.998 316 T CA -0.148 62.096 62.100 0.239 0.000 1.019 316 T CB 1.492 70.463 68.868 0.171 0.000 1.061 316 T HN 0.825 nan 8.240 nan 0.000 0.518 317 G N 0.542 109.420 108.800 0.131 0.000 2.633 317 G HA2 0.542 4.519 3.960 0.029 0.000 0.299 317 G HA3 0.542 4.519 3.960 0.029 0.000 0.299 317 G C -1.297 173.678 174.900 0.124 0.000 1.501 317 G CA -0.740 44.433 45.100 0.122 0.000 0.887 317 G HN 0.988 nan 8.290 nan 0.000 0.561 318 S N -0.626 115.143 115.700 0.115 0.000 2.671 318 S HA 0.919 5.406 4.470 0.029 0.000 0.277 318 S C -0.051 174.621 174.600 0.120 0.000 1.165 318 S CA -0.319 57.959 58.200 0.131 0.000 0.822 318 S CB 1.934 65.186 63.200 0.087 0.000 1.150 318 S HN 1.590 nan 8.310 nan 0.000 0.479 319 T N -2.512 112.137 114.554 0.159 0.000 2.693 319 T HA 0.706 5.073 4.350 0.029 0.000 0.278 319 T C 1.361 176.149 174.700 0.147 0.000 0.994 319 T CA -0.194 61.982 62.100 0.127 0.000 1.033 319 T CB 0.614 69.587 68.868 0.175 0.000 1.342 319 T HN 0.713 nan 8.240 nan 0.000 0.538 320 G N 0.402 109.277 108.800 0.126 0.000 2.628 320 G HA2 0.050 4.027 3.960 0.029 0.000 0.217 320 G HA3 0.050 4.027 3.960 0.029 0.000 0.217 320 G C 1.248 176.236 174.900 0.147 0.000 1.240 320 G CA 0.860 46.028 45.100 0.113 0.000 0.792 320 G HN 1.262 nan 8.290 nan 0.000 0.593 321 G N -1.260 107.667 108.800 0.212 0.000 3.393 321 G HA2 0.474 4.452 3.960 0.029 0.000 0.255 321 G HA3 0.474 4.452 3.960 0.029 0.000 0.255 321 G C -0.442 174.473 174.900 0.026 0.000 1.097 321 G CA -0.508 44.653 45.100 0.103 0.000 0.780 321 G HN 0.214 nan 8.290 nan 0.000 0.540 322 F N -0.472 119.579 119.950 0.169 0.000 2.588 322 F HA 0.713 5.257 4.527 0.028 0.000 0.314 322 F C 0.342 176.246 175.800 0.173 0.000 1.069 322 F CA -1.031 57.105 58.000 0.226 0.000 0.931 322 F CB 2.662 41.815 39.000 0.255 0.000 1.260 322 F HN 0.006 nan 8.300 nan 0.000 0.465 323 G N 1.004 110.025 108.800 0.368 0.000 2.719 323 G HA2 0.577 4.554 3.960 0.029 0.000 0.284 323 G HA3 0.577 4.554 3.960 0.029 0.000 0.284 323 G C -1.687 173.313 174.900 0.166 0.000 1.488 323 G CA -0.568 44.626 45.100 0.156 0.000 1.139 323 G HN 0.604 nan 8.290 nan 0.000 0.552 324 S N 0.217 116.008 115.700 0.151 0.000 2.661 324 S HA 0.857 5.345 4.470 0.029 0.000 0.285 324 S C -1.742 173.008 174.600 0.250 0.000 1.138 324 S CA -0.780 57.534 58.200 0.190 0.000 0.855 324 S CB 2.219 65.534 63.200 0.191 0.000 1.136 324 S HN 0.891 nan 8.310 nan 0.000 0.484 325 Y N 0.524 120.896 120.300 0.119 0.000 2.521 325 Y HA 0.512 5.079 4.550 0.028 0.000 0.328 325 Y C -1.753 174.261 175.900 0.190 0.000 1.151 325 Y CA -0.850 57.338 58.100 0.146 0.000 1.054 325 Y CB 0.900 39.446 38.460 0.144 0.000 1.338 325 Y HN 0.748 nan 8.280 nan 0.000 0.453 326 V N 1.756 121.367 119.914 -0.504 0.000 2.925 326 V HA 1.091 5.229 4.120 0.029 0.000 0.311 326 V C -1.253 174.548 176.094 -0.487 0.000 1.104 326 V CA -0.242 61.898 62.300 -0.266 0.000 0.954 326 V CB 1.257 33.147 31.823 0.112 0.000 1.022 326 V HN 1.539 nan 8.190 nan 0.000 0.427 327 A N 3.452 126.082 122.820 -0.316 0.000 2.587 327 A HA 1.079 5.417 4.320 0.029 0.000 0.293 327 A C -1.147 176.216 177.584 -0.369 0.000 1.087 327 A CA -0.390 51.345 52.037 -0.503 0.000 0.692 327 A CB 1.967 20.544 19.000 -0.705 0.000 1.291 327 A HN 2.368 nan 8.150 nan 0.000 0.407 328 F N -1.543 117.966 119.950 -0.735 0.000 2.741 328 F HA 0.803 5.347 4.527 0.029 0.000 0.311 328 F C -1.626 173.799 175.800 -0.625 0.000 1.149 328 F CA -1.100 56.537 58.000 -0.606 0.000 0.930 328 F CB 1.164 39.874 39.000 -0.484 0.000 1.312 328 F HN 0.324 nan 8.300 nan 0.000 0.450 329 I N 2.249 122.647 120.570 -0.287 0.000 2.583 329 I HA 0.301 4.489 4.170 0.029 0.000 0.276 329 I C -2.191 173.839 176.117 -0.145 0.000 1.089 329 I CA -1.725 59.374 61.300 -0.336 0.000 1.103 329 I CB 1.893 39.564 38.000 -0.548 0.000 1.209 329 I HN 0.374 nan 8.210 nan 0.000 0.484 330 P HA -0.204 nan 4.420 nan 0.000 0.216 330 P C 1.412 178.670 177.300 -0.070 0.000 1.150 330 P CA 1.153 64.237 63.100 -0.025 0.000 0.837 330 P CB 0.347 32.041 31.700 -0.009 0.000 0.786 331 E N 0.114 120.270 120.200 -0.072 0.000 2.268 331 E HA -0.146 4.222 4.350 0.029 0.000 0.195 331 E C 1.676 178.246 176.600 -0.050 0.000 0.995 331 E CA 1.288 57.660 56.400 -0.047 0.000 0.836 331 E CB -0.382 29.312 29.700 -0.010 0.000 0.763 331 E HN 0.079 nan 8.360 nan 0.000 0.491 332 K N -0.532 119.814 120.400 -0.091 0.000 2.361 332 K HA 0.072 4.410 4.320 0.029 0.000 0.194 332 K C -0.046 176.517 176.600 -0.060 0.000 1.032 332 K CA 0.247 56.487 56.287 -0.078 0.000 1.048 332 K CB 0.619 33.028 32.500 -0.150 0.000 0.842 332 K HN -0.004 nan 8.250 nan 0.000 0.526 333 Q N 0.506 120.258 119.800 -0.081 0.000 2.457 333 Q HA -0.198 4.160 4.340 0.029 0.000 0.283 333 Q C -0.390 175.576 176.000 -0.057 0.000 1.234 333 Q CA 1.174 56.928 55.803 -0.082 0.000 0.877 333 Q CB -2.190 26.503 28.738 -0.075 0.000 1.250 333 Q HN 0.593 nan 8.270 nan 0.000 0.481 334 I N -3.957 116.572 120.570 -0.067 0.000 2.569 334 I HA 0.940 5.128 4.170 0.029 0.000 0.296 334 I C 0.332 176.391 176.117 -0.098 0.000 1.028 334 I CA -0.556 60.720 61.300 -0.040 0.000 1.082 334 I CB 2.538 40.519 38.000 -0.032 0.000 1.264 334 I HN 0.023 nan 8.210 nan 0.000 0.429 335 G N 5.061 113.819 108.800 -0.070 0.000 2.649 335 G HA2 0.716 4.694 3.960 0.029 0.000 0.290 335 G HA3 0.716 4.694 3.960 0.029 0.000 0.290 335 G C -2.047 172.827 174.900 -0.043 0.000 1.426 335 G CA -0.767 44.280 45.100 -0.088 0.000 0.794 335 G HN 0.870 nan 8.290 nan 0.000 0.483 336 I N -0.348 120.203 120.570 -0.033 0.000 2.787 336 I HA 0.578 4.765 4.170 0.029 0.000 0.294 336 I C -1.429 174.725 176.117 0.062 0.000 1.365 336 I CA -0.896 60.426 61.300 0.037 0.000 1.029 336 I CB 2.266 40.306 38.000 0.068 0.000 1.313 336 I HN 0.413 nan 8.210 nan 0.000 0.431 337 V N 7.197 127.181 119.914 0.116 0.000 2.540 337 V HA 0.570 4.708 4.120 0.029 0.000 0.302 337 V C -0.412 175.787 176.094 0.174 0.000 1.035 337 V CA -0.438 61.948 62.300 0.143 0.000 0.873 337 V CB 1.776 33.694 31.823 0.158 0.000 0.992 337 V HN 0.642 nan 8.190 nan 0.000 0.428 338 M N 6.057 125.767 119.600 0.183 0.000 2.031 338 M HA 0.517 5.014 4.480 0.029 0.000 0.273 338 M C -1.330 175.044 176.300 0.122 0.000 0.904 338 M CA -0.077 55.336 55.300 0.189 0.000 0.963 338 M CB 1.573 34.341 32.600 0.279 0.000 1.707 338 M HN 0.416 nan 8.290 nan 0.000 0.427 339 L N 2.384 123.571 121.223 -0.061 0.000 2.322 339 L HA 1.022 5.380 4.340 0.029 0.000 0.279 339 L C -0.015 176.666 176.870 -0.316 0.000 1.036 339 L CA -0.725 53.925 54.840 -0.315 0.000 0.807 339 L CB 1.639 43.192 42.059 -0.844 0.000 1.226 339 L HN 0.733 nan 8.230 nan 0.000 0.433 340 A N 1.652 124.520 122.820 0.079 0.000 2.574 340 A HA 0.515 4.852 4.320 0.029 0.000 0.297 340 A C -0.821 177.108 177.584 0.575 0.000 1.062 340 A CA -0.811 51.470 52.037 0.407 0.000 0.686 340 A CB 1.359 20.611 19.000 0.419 0.000 1.285 340 A HN 0.749 nan 8.150 nan 0.000 0.403 341 N N 0.794 119.757 118.700 0.438 0.000 2.758 341 N HA 0.302 5.060 4.740 0.029 0.000 0.293 341 N C -0.720 174.775 175.510 -0.026 0.000 1.273 341 N CA -0.083 52.881 53.050 -0.144 0.000 1.022 341 N CB 0.751 39.080 38.487 -0.262 0.000 1.334 341 N HN 0.322 nan 8.380 nan 0.000 0.519 342 T N -0.617 114.020 114.554 0.138 0.000 3.295 342 T HA 0.169 4.536 4.350 0.029 0.000 0.331 342 T C -1.311 173.543 174.700 0.257 0.000 1.142 342 T CA -0.626 61.583 62.100 0.181 0.000 1.078 342 T CB 1.246 70.232 68.868 0.196 0.000 1.150 342 T HN 0.158 nan 8.240 nan 0.000 0.465 343 S N 4.046 119.854 115.700 0.181 0.000 2.414 343 S HA 0.440 4.928 4.470 0.029 0.000 0.290 343 S C -0.411 174.276 174.600 0.145 0.000 1.160 343 S CA -0.470 57.806 58.200 0.126 0.000 1.069 343 S CB -0.668 62.594 63.200 0.102 0.000 1.012 343 S HN 0.539 nan 8.310 nan 0.000 0.510 344 Y N 2.828 123.174 120.300 0.076 0.000 2.509 344 Y HA 0.747 5.315 4.550 0.029 0.000 0.341 344 Y C -2.820 173.104 175.900 0.040 0.000 1.038 344 Y CA -3.441 54.690 58.100 0.051 0.000 1.089 344 Y CB -0.357 38.131 38.460 0.046 0.000 1.241 344 Y HN 0.331 nan 8.280 nan 0.000 0.468 345 P HA -0.100 nan 4.420 nan 0.000 0.257 345 P C 0.121 177.391 177.300 -0.049 0.000 1.153 345 P CA 0.757 63.887 63.100 0.049 0.000 0.762 345 P CB 0.571 32.338 31.700 0.111 0.000 0.743 346 N N 5.449 124.088 118.700 -0.101 0.000 2.061 346 N HA -0.159 4.599 4.740 0.029 0.000 0.193 346 N C -0.828 174.620 175.510 -0.104 0.000 1.030 346 N CA 1.899 54.871 53.050 -0.130 0.000 0.856 346 N CB -1.681 36.751 38.487 -0.092 0.000 1.023 346 N HN 0.461 nan 8.380 nan 0.000 0.424 347 P HA 0.063 nan 4.420 nan 0.000 0.223 347 P C 0.936 178.231 177.300 -0.008 0.000 1.151 347 P CA 0.987 64.063 63.100 -0.039 0.000 0.787 347 P CB -0.026 31.659 31.700 -0.025 0.000 0.788 348 A N 0.680 123.529 122.820 0.050 0.000 1.902 348 A HA -0.235 4.102 4.320 0.029 0.000 0.217 348 A C 2.235 179.915 177.584 0.161 0.000 1.181 348 A CA 1.465 53.581 52.037 0.132 0.000 0.623 348 A CB -1.040 18.113 19.000 0.254 0.000 0.818 348 A HN 0.083 nan 8.150 nan 0.000 0.443 349 R N -0.886 119.689 120.500 0.125 0.000 2.097 349 R HA -0.133 4.225 4.340 0.029 0.000 0.236 349 R C 2.086 178.300 176.300 -0.143 0.000 1.135 349 R CA 1.666 57.778 56.100 0.020 0.000 0.934 349 R CB -1.064 29.093 30.300 -0.239 0.000 0.846 349 R HN 0.445 nan 8.270 nan 0.000 0.431 350 V N 1.463 121.205 119.914 -0.286 0.000 2.719 350 V HA -0.122 4.015 4.120 0.029 0.000 0.252 350 V C 2.018 178.177 176.094 0.108 0.000 1.065 350 V CA 1.492 63.704 62.300 -0.147 0.000 1.086 350 V CB -0.159 31.631 31.823 -0.054 0.000 0.700 350 V HN 0.245 nan 8.190 nan 0.000 0.467 351 E N 0.803 121.036 120.200 0.055 0.000 2.035 351 E HA -0.271 4.096 4.350 0.029 0.000 0.204 351 E C 2.297 179.008 176.600 0.184 0.000 1.025 351 E CA 1.993 58.445 56.400 0.087 0.000 0.835 351 E CB -0.575 29.157 29.700 0.053 0.000 0.764 351 E HN 0.697 nan 8.360 nan 0.000 0.457 352 A N 1.308 124.235 122.820 0.179 0.000 1.865 352 A HA -0.158 4.179 4.320 0.029 0.000 0.217 352 A C 2.428 180.171 177.584 0.265 0.000 1.191 352 A CA 2.611 54.770 52.037 0.203 0.000 0.623 352 A CB -0.806 18.288 19.000 0.158 0.000 0.826 352 A HN 0.330 nan 8.150 nan 0.000 0.444 353 A N -1.913 121.102 122.820 0.325 0.000 1.902 353 A HA -0.103 4.235 4.320 0.029 0.000 0.217 353 A C 2.141 180.014 177.584 0.481 0.000 1.181 353 A CA 1.694 53.977 52.037 0.411 0.000 0.623 353 A CB -0.822 18.554 19.000 0.628 0.000 0.818 353 A HN 0.674 nan 8.150 nan 0.000 0.443 354 Y N -0.286 120.286 120.300 0.452 0.000 2.070 354 Y HA -0.309 4.259 4.550 0.031 0.000 0.280 354 Y C 2.567 178.664 175.900 0.329 0.000 1.148 354 Y CA 2.574 60.931 58.100 0.430 0.000 1.125 354 Y CB -0.553 38.014 38.460 0.179 0.000 0.975 354 Y HN 0.582 nan 8.280 nan 0.000 0.492 355 H N 0.415 119.694 119.070 0.347 0.000 2.289 355 H HA -0.230 4.346 4.556 0.032 0.000 0.294 355 H C 2.110 177.500 175.328 0.103 0.000 1.095 355 H CA 2.526 58.693 56.048 0.199 0.000 1.256 355 H CB -0.709 29.138 29.762 0.142 0.000 1.359 355 H HN 0.462 nan 8.280 nan 0.000 0.487 356 I N -0.167 120.404 120.570 0.002 0.000 2.208 356 I HA -0.277 3.911 4.170 0.029 0.000 0.245 356 I C 2.526 178.589 176.117 -0.091 0.000 1.097 356 I CA 1.137 62.354 61.300 -0.137 0.000 1.363 356 I CB -0.386 37.585 38.000 -0.049 0.000 1.051 356 I HN 0.238 nan 8.210 nan 0.000 0.413 357 L N 0.710 121.930 121.223 -0.005 0.000 2.093 357 L HA -0.187 4.171 4.340 0.029 0.000 0.208 357 L C 2.591 179.419 176.870 -0.070 0.000 1.085 357 L CA 1.429 56.235 54.840 -0.057 0.000 0.755 357 L CB -0.578 41.458 42.059 -0.038 0.000 0.904 357 L HN 0.343 nan 8.230 nan 0.000 0.435 358 E N 0.693 120.881 120.200 -0.020 0.000 2.268 358 E HA -0.150 4.218 4.350 0.029 0.000 0.195 358 E C 1.916 178.535 176.600 0.032 0.000 0.995 358 E CA 1.050 57.472 56.400 0.037 0.000 0.836 358 E CB -0.322 29.457 29.700 0.131 0.000 0.763 358 E HN 0.341 nan 8.360 nan 0.000 0.491 359 A N 1.051 123.856 122.820 -0.024 0.000 2.216 359 A HA 0.050 4.387 4.320 0.029 0.000 0.214 359 A C 1.850 179.361 177.584 -0.121 0.000 1.160 359 A CA 0.697 52.695 52.037 -0.065 0.000 0.725 359 A CB -0.454 18.458 19.000 -0.146 0.000 0.784 359 A HN 0.337 nan 8.150 nan 0.000 0.472 360 L N -1.612 119.517 121.223 -0.155 0.000 2.693 360 L HA 0.179 4.536 4.340 0.029 0.000 0.235 360 L C 0.961 177.796 176.870 -0.059 0.000 1.127 360 L CA -0.167 54.527 54.840 -0.244 0.000 0.914 360 L CB -0.203 41.599 42.059 -0.428 0.000 1.193 360 L HN 0.335 nan 8.230 nan 0.000 0.502 361 Q N 0.000 119.800 119.800 -0.000 0.000 2.315 361 Q HA 0.000 4.358 4.340 0.029 0.000 0.214 361 Q CA 0.000 55.840 55.803 0.062 0.000 1.022 361 Q CB 0.000 28.803 28.738 0.109 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481