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 1uf2_1_D DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSX DATA SEQUENCE XXXVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.808 176.300 0.846 0.000 1.140 1 M CA 0.000 55.666 55.300 0.609 0.000 0.988 1 M CB 0.000 32.761 32.600 0.269 0.000 1.302 2 S N 1.678 117.685 115.700 0.511 0.000 2.643 2 S HA -0.079 4.391 4.470 -0.000 0.000 0.310 2 S C 1.136 176.016 174.600 0.466 0.000 1.253 2 S CA 0.865 59.296 58.200 0.385 0.000 1.047 2 S CB 0.407 63.725 63.200 0.198 0.000 0.767 2 S HN 0.600 nan 8.310 nan 0.000 0.498 3 R N 3.182 123.722 120.500 0.067 0.000 2.091 3 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 3 R C 2.126 178.454 176.300 0.047 0.000 1.136 3 R CA 1.799 57.719 56.100 -0.299 0.000 0.959 3 R CB -0.701 28.926 30.300 -1.122 0.000 0.856 3 R HN 0.678 nan 8.270 nan 0.000 0.437 4 Q N 1.260 121.067 119.800 0.011 0.000 2.077 4 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 4 Q C 2.158 178.257 176.000 0.164 0.000 0.989 4 Q CA 2.282 58.121 55.803 0.060 0.000 0.853 4 Q CB -0.216 28.539 28.738 0.028 0.000 0.907 4 Q HN 0.496 nan 8.270 nan 0.000 0.418 5 M N -1.712 118.008 119.600 0.201 0.000 2.065 5 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 5 M C 1.737 178.175 176.300 0.229 0.000 1.069 5 M CA 1.855 57.258 55.300 0.172 0.000 1.110 5 M CB -0.593 32.089 32.600 0.136 0.000 1.328 5 M HN 0.280 nan 8.290 nan 0.000 0.405 6 W N 0.605 122.078 121.300 0.287 0.000 2.341 6 W HA -0.175 4.485 4.660 -0.000 0.000 0.283 6 W C 2.015 178.725 176.519 0.317 0.000 1.215 6 W CA 1.032 58.581 57.345 0.339 0.000 1.211 6 W CB -0.400 29.337 29.460 0.462 0.000 1.131 6 W HN 0.192 nan 8.180 nan 0.000 0.552 7 L N -0.769 120.724 121.223 0.450 0.000 2.049 7 L HA -0.166 4.174 4.340 -0.000 0.000 0.203 7 L C 2.088 179.129 176.870 0.286 0.000 1.074 7 L CA 1.243 56.305 54.840 0.370 0.000 0.749 7 L CB -0.957 41.273 42.059 0.286 0.000 0.907 7 L HN -0.215 nan 8.230 nan 0.000 0.439 8 D N -0.357 120.163 120.400 0.201 0.000 2.149 8 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 8 D C 2.121 178.443 176.300 0.036 0.000 1.001 8 D CA 1.777 55.825 54.000 0.080 0.000 0.849 8 D CB -0.278 40.554 40.800 0.053 0.000 0.939 8 D HN 0.195 nan 8.370 nan 0.000 0.449 9 T N -0.716 113.896 114.554 0.096 0.000 2.737 9 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 9 T C 2.002 176.722 174.700 0.034 0.000 1.038 9 T CA 1.473 63.613 62.100 0.067 0.000 1.144 9 T CB -0.400 68.546 68.868 0.129 0.000 0.866 9 T HN 0.089 nan 8.240 nan 0.000 0.434 10 S N 1.130 116.946 115.700 0.194 0.000 2.365 10 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 10 S C 2.379 176.975 174.600 -0.006 0.000 1.039 10 S CA 1.620 59.892 58.200 0.120 0.000 1.033 10 S CB -0.598 62.813 63.200 0.352 0.000 0.887 10 S HN 0.520 nan 8.310 nan 0.000 0.447 11 A N 1.098 123.905 122.820 -0.022 0.000 1.940 11 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 11 A C 2.161 179.640 177.584 -0.176 0.000 1.176 11 A CA 1.722 53.632 52.037 -0.213 0.000 0.631 11 A CB -0.821 17.825 19.000 -0.590 0.000 0.814 11 A HN 0.591 nan 8.150 nan 0.000 0.446 12 L N -0.363 120.775 121.223 -0.142 0.000 2.056 12 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 12 L C 2.151 178.949 176.870 -0.121 0.000 1.078 12 L CA 1.532 56.292 54.840 -0.134 0.000 0.749 12 L CB -0.538 41.455 42.059 -0.110 0.000 0.901 12 L HN 0.389 nan 8.230 nan 0.000 0.433 13 L N -0.889 120.245 121.223 -0.149 0.000 2.201 13 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 13 L C 2.375 179.212 176.870 -0.055 0.000 1.105 13 L CA 1.024 55.780 54.840 -0.140 0.000 0.775 13 L CB -0.405 41.443 42.059 -0.351 0.000 0.913 13 L HN 0.392 nan 8.230 nan 0.000 0.440 14 E N -0.117 120.052 120.200 -0.052 0.000 2.216 14 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 14 E C 2.261 178.880 176.600 0.033 0.000 0.988 14 E CA 0.776 57.187 56.400 0.018 0.000 0.834 14 E CB 0.103 29.828 29.700 0.041 0.000 0.772 14 E HN 0.461 nan 8.360 nan 0.000 0.479 15 A N 1.111 123.917 122.820 -0.023 0.000 1.855 15 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 15 A C 2.047 179.636 177.584 0.007 0.000 1.191 15 A CA 0.953 52.979 52.037 -0.018 0.000 0.613 15 A CB -0.469 18.446 19.000 -0.141 0.000 0.829 15 A HN 0.112 nan 8.150 nan 0.000 0.442 16 I N 0.000 120.535 120.570 -0.059 0.000 2.113 16 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 16 I C 2.834 178.989 176.117 0.064 0.000 1.064 16 I CA 1.971 63.229 61.300 -0.070 0.000 1.320 16 I CB -0.591 37.398 38.000 -0.018 0.000 1.028 16 I HN 0.382 nan 8.210 nan 0.000 0.406 17 S N -0.258 115.510 115.700 0.113 0.000 2.365 17 S HA -0.328 4.142 4.470 -0.000 0.000 0.221 17 S C 2.198 176.876 174.600 0.130 0.000 1.037 17 S CA 2.013 60.298 58.200 0.142 0.000 1.060 17 S CB -0.564 62.708 63.200 0.120 0.000 0.974 17 S HN 0.547 nan 8.310 nan 0.000 0.427 18 E N -1.003 119.280 120.200 0.138 0.000 2.113 18 E HA -0.254 4.096 4.350 -0.000 0.000 0.210 18 E C 1.861 178.516 176.600 0.092 0.000 1.040 18 E CA 2.096 58.571 56.400 0.124 0.000 0.847 18 E CB -0.333 29.475 29.700 0.179 0.000 0.755 18 E HN 0.761 nan 8.360 nan 0.000 0.459 19 Y N -0.597 119.691 120.300 -0.019 0.000 2.457 19 Y HA -0.067 4.483 4.550 -0.000 0.000 0.292 19 Y C 2.182 178.080 175.900 -0.002 0.000 1.125 19 Y CA 0.444 58.531 58.100 -0.022 0.000 1.254 19 Y CB -0.061 38.361 38.460 -0.063 0.000 1.012 19 Y HN -0.026 nan 8.280 nan 0.000 0.555 20 V N -1.057 118.944 119.914 0.145 0.000 2.515 20 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 20 V C 2.083 178.219 176.094 0.070 0.000 1.058 20 V CA 1.472 63.845 62.300 0.122 0.000 1.064 20 V CB -0.576 31.342 31.823 0.158 0.000 0.675 20 V HN 0.224 nan 8.190 nan 0.000 0.461 21 V N -0.227 119.717 119.914 0.050 0.000 2.307 21 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 21 V C 2.464 178.543 176.094 -0.025 0.000 1.045 21 V CA 1.851 64.158 62.300 0.012 0.000 1.024 21 V CB -0.833 30.992 31.823 0.004 0.000 0.651 21 V HN 0.430 nan 8.190 nan 0.000 0.449 22 R N -0.742 119.720 120.500 -0.064 0.000 2.159 22 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 22 R C 2.085 178.348 176.300 -0.060 0.000 1.131 22 R CA 1.669 57.706 56.100 -0.106 0.000 0.982 22 R CB -0.539 29.609 30.300 -0.253 0.000 0.868 22 R HN 0.466 nan 8.270 nan 0.000 0.453 23 C N -0.059 119.222 119.300 -0.032 0.000 2.673 23 C HA 0.069 4.529 4.460 -0.000 0.000 0.264 23 C C 1.038 175.955 174.990 -0.122 0.000 1.304 23 C CA -0.814 58.166 59.018 -0.064 0.000 1.727 23 C CB -1.463 26.259 27.740 -0.028 0.000 1.932 23 C HN 0.466 nan 8.230 nan 0.000 0.563 24 N N 0.771 119.426 118.700 -0.074 0.000 2.414 24 N HA 0.230 4.970 4.740 -0.000 0.000 0.268 24 N C 1.172 176.618 175.510 -0.107 0.000 1.286 24 N CA 0.933 53.933 53.050 -0.084 0.000 0.896 24 N CB 0.131 38.594 38.487 -0.040 0.000 1.093 24 N HN 0.542 nan 8.380 nan 0.000 0.480 25 G N 3.340 112.033 108.800 -0.177 0.000 2.168 25 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 25 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 25 G C -0.105 174.651 174.900 -0.239 0.000 0.997 25 G CA 0.358 45.334 45.100 -0.205 0.000 0.708 25 G HN 0.756 nan 8.290 nan 0.000 0.520 26 D N 0.253 120.497 120.400 -0.260 0.000 2.804 26 D HA 0.338 4.978 4.640 -0.000 0.000 0.308 26 D C 0.528 176.677 176.300 -0.252 0.000 1.371 26 D CA 0.626 54.592 54.000 -0.055 0.000 0.823 26 D CB 0.450 41.275 40.800 0.040 0.000 1.126 26 D HN 0.394 nan 8.370 nan 0.000 0.467 27 T N -1.101 113.026 114.554 -0.712 0.000 3.060 27 T HA 0.540 4.890 4.350 -0.000 0.000 0.367 27 T C -0.255 174.033 174.700 -0.685 0.000 1.229 27 T CA -0.698 61.014 62.100 -0.647 0.000 1.104 27 T CB -0.104 68.313 68.868 -0.753 0.000 1.083 27 T HN -0.185 nan 8.240 nan 0.000 0.524 28 F N 0.564 120.474 119.950 -0.068 0.000 2.507 28 F HA 0.487 5.014 4.527 -0.000 0.000 0.327 28 F C 1.797 177.604 175.800 0.011 0.000 1.068 28 F CA -1.316 56.669 58.000 -0.025 0.000 0.965 28 F CB 1.530 40.520 39.000 -0.017 0.000 1.192 28 F HN 0.370 nan 8.300 nan 0.000 0.476 29 S N 1.244 117.060 115.700 0.193 0.000 2.423 29 S HA -0.139 4.331 4.470 -0.000 0.000 0.238 29 S C 1.509 176.174 174.600 0.109 0.000 1.028 29 S CA 1.666 59.939 58.200 0.122 0.000 1.000 29 S CB -0.436 62.824 63.200 0.099 0.000 0.797 29 S HN 0.960 nan 8.310 nan 0.000 0.487 30 G N -0.602 108.270 108.800 0.120 0.000 4.596 30 G HA2 0.393 4.353 3.960 -0.000 0.000 0.276 30 G HA3 0.393 4.353 3.960 -0.000 0.000 0.276 30 G C -0.548 174.406 174.900 0.090 0.000 1.013 30 G CA -0.362 44.790 45.100 0.086 0.000 0.778 30 G HN 0.263 nan 8.290 nan 0.000 0.389 31 L N 2.986 124.289 121.223 0.132 0.000 2.264 31 L HA 0.538 4.878 4.340 -0.000 0.000 0.287 31 L C 0.079 177.042 176.870 0.154 0.000 1.039 31 L CA -0.300 54.619 54.840 0.132 0.000 0.829 31 L CB 1.020 43.182 42.059 0.172 0.000 1.211 31 L HN 0.001 nan 8.230 nan 0.000 0.427 32 T N 2.215 116.838 114.554 0.115 0.000 2.727 32 T HA 0.298 4.648 4.350 -0.000 0.000 0.295 32 T C 0.284 175.060 174.700 0.127 0.000 0.915 32 T CA -0.339 61.834 62.100 0.122 0.000 1.066 32 T CB -0.068 68.848 68.868 0.079 0.000 0.891 32 T HN 0.592 nan 8.240 nan 0.000 0.516 33 T N 3.006 117.665 114.554 0.176 0.000 2.767 33 T HA 0.412 4.762 4.350 -0.000 0.000 0.284 33 T C 1.690 176.483 174.700 0.155 0.000 0.973 33 T CA -0.648 61.551 62.100 0.165 0.000 0.996 33 T CB 1.541 70.530 68.868 0.202 0.000 0.927 33 T HN 0.703 nan 8.240 nan 0.000 0.456 34 G N 2.203 111.071 108.800 0.113 0.000 2.448 34 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 34 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 34 G C 1.047 176.037 174.900 0.151 0.000 1.127 34 G CA 0.491 45.654 45.100 0.104 0.000 0.766 34 G HN 0.596 nan 8.290 nan 0.000 0.552 35 D N 0.252 120.758 120.400 0.177 0.000 2.075 35 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 35 D C 1.930 178.428 176.300 0.331 0.000 0.985 35 D CA 0.425 54.577 54.000 0.253 0.000 0.834 35 D CB -0.600 40.273 40.800 0.122 0.000 0.987 35 D HN 0.187 nan 8.370 nan 0.000 0.452 36 F N 1.408 121.413 119.950 0.092 0.000 2.307 36 F HA -0.116 4.411 4.527 -0.000 0.000 0.301 36 F C 1.725 177.546 175.800 0.035 0.000 1.076 36 F CA 0.852 58.888 58.000 0.060 0.000 1.383 36 F CB -0.419 38.611 39.000 0.050 0.000 1.055 36 F HN -0.145 nan 8.300 nan 0.000 0.526 37 N N -0.309 118.431 118.700 0.067 0.000 2.409 37 N HA 0.005 4.745 4.740 -0.000 0.000 0.179 37 N C 1.794 177.249 175.510 -0.091 0.000 1.032 37 N CA 1.039 54.054 53.050 -0.059 0.000 0.898 37 N CB -0.141 38.347 38.487 0.002 0.000 0.971 37 N HN 0.310 nan 8.380 nan 0.000 0.441 38 A N -0.092 122.702 122.820 -0.044 0.000 1.871 38 A HA 0.085 4.405 4.320 -0.000 0.000 0.211 38 A C 1.947 179.364 177.584 -0.279 0.000 1.207 38 A CA 0.404 52.342 52.037 -0.166 0.000 0.620 38 A CB -0.797 18.087 19.000 -0.193 0.000 0.860 38 A HN 0.247 nan 8.150 nan 0.000 0.450 39 L N 0.240 121.350 121.223 -0.188 0.000 2.137 39 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 39 L C 2.404 178.980 176.870 -0.490 0.000 1.085 39 L CA 2.447 57.086 54.840 -0.334 0.000 0.760 39 L CB -0.691 41.349 42.059 -0.033 0.000 0.893 39 L HN 0.369 nan 8.230 nan 0.000 0.434 40 S N -0.308 115.198 115.700 -0.324 0.000 2.361 40 S HA -0.194 4.276 4.470 -0.000 0.000 0.214 40 S C 1.836 176.336 174.600 -0.167 0.000 1.034 40 S CA 1.439 59.483 58.200 -0.260 0.000 1.025 40 S CB -0.384 62.614 63.200 -0.337 0.000 0.996 40 S HN 0.666 nan 8.310 nan 0.000 0.422 41 N N 1.080 119.677 118.700 -0.172 0.000 2.192 41 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 41 N C 1.768 177.195 175.510 -0.138 0.000 1.013 41 N CA 1.375 54.346 53.050 -0.132 0.000 0.863 41 N CB -0.443 37.966 38.487 -0.130 0.000 0.990 41 N HN 0.528 nan 8.380 nan 0.000 0.430 42 M N -0.473 118.990 119.600 -0.229 0.000 2.099 42 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 42 M C 1.909 178.149 176.300 -0.100 0.000 1.067 42 M CA 1.288 56.450 55.300 -0.230 0.000 1.124 42 M CB -0.610 31.767 32.600 -0.372 0.000 1.353 42 M HN 0.029 nan 8.290 nan 0.000 0.410 43 F N 0.763 120.653 119.950 -0.100 0.000 2.087 43 F HA -0.300 4.227 4.527 -0.000 0.000 0.299 43 F C 2.624 178.378 175.800 -0.078 0.000 1.100 43 F CA 1.294 59.245 58.000 -0.081 0.000 1.226 43 F CB -0.790 38.162 39.000 -0.080 0.000 0.983 43 F HN 0.200 nan 8.300 nan 0.000 0.479 44 T N -0.762 113.862 114.554 0.116 0.000 2.737 44 T HA -0.243 4.107 4.350 -0.000 0.000 0.269 44 T C 1.760 176.456 174.700 -0.008 0.000 1.040 44 T CA 1.237 63.352 62.100 0.025 0.000 1.142 44 T CB -0.273 68.586 68.868 -0.016 0.000 0.861 44 T HN 0.227 nan 8.240 nan 0.000 0.456 45 Q N 0.084 119.872 119.800 -0.019 0.000 2.369 45 Q HA 0.112 4.452 4.340 -0.000 0.000 0.206 45 Q C 2.228 178.206 176.000 -0.036 0.000 0.963 45 Q CA 0.390 56.167 55.803 -0.043 0.000 0.894 45 Q CB -0.438 28.261 28.738 -0.064 0.000 0.965 45 Q HN 0.382 nan 8.270 nan 0.000 0.475 46 L N 0.616 121.843 121.223 0.006 0.000 1.961 46 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 46 L C 0.566 177.389 176.870 -0.078 0.000 1.072 46 L CA 2.007 56.863 54.840 0.026 0.000 0.749 46 L CB -0.068 42.061 42.059 0.116 0.000 0.889 46 L HN 0.272 nan 8.230 nan 0.000 0.432 47 S N -4.054 111.590 115.700 -0.094 0.000 2.760 47 S HA 0.067 4.537 4.470 -0.000 0.000 0.157 47 S C 0.281 174.806 174.600 -0.124 0.000 0.650 47 S CA -0.152 57.945 58.200 -0.172 0.000 0.855 47 S CB -0.912 62.069 63.200 -0.366 0.000 1.516 47 S HN -0.127 nan 8.310 nan 0.000 0.483 48 V N 1.845 121.706 119.914 -0.088 0.000 2.407 48 V HA 0.047 4.167 4.120 -0.000 0.000 0.248 48 V C 1.346 177.395 176.094 -0.076 0.000 1.055 48 V CA 2.076 64.335 62.300 -0.068 0.000 1.049 48 V CB -1.024 30.766 31.823 -0.054 0.000 0.662 48 V HN 1.207 nan 8.190 nan 0.000 0.455 55 S N 0.844 116.519 115.700 -0.040 0.000 2.372 55 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 55 S C 0.704 175.279 174.600 -0.041 0.000 1.044 55 S CA 2.148 60.333 58.200 -0.026 0.000 1.050 55 S CB -0.076 63.114 63.200 -0.016 0.000 0.901 55 S HN 0.886 nan 8.310 nan 0.000 0.447 56 D N 0.984 121.339 120.400 -0.075 0.000 2.472 56 D HA 0.256 4.896 4.640 -0.000 0.000 0.234 56 D C -1.719 174.464 176.300 -0.195 0.000 1.088 56 D CA -2.377 51.565 54.000 -0.098 0.000 0.882 56 D CB 1.362 42.120 40.800 -0.071 0.000 1.037 56 D HN 0.062 nan 8.370 nan 0.000 0.520 57 P HA -0.109 nan 4.420 nan 0.000 0.225 57 P C 1.206 178.225 177.300 -0.469 0.000 1.148 57 P CA 0.431 63.151 63.100 -0.633 0.000 0.779 57 P CB 0.653 31.743 31.700 -1.015 0.000 0.780 58 R N -0.116 120.226 120.500 -0.264 0.000 2.083 58 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 58 R C 2.396 178.599 176.300 -0.161 0.000 1.137 58 R CA 1.350 57.334 56.100 -0.193 0.000 0.951 58 R CB -1.176 29.069 30.300 -0.092 0.000 0.851 58 R HN 0.075 nan 8.270 nan 0.000 0.434 59 V N 2.010 121.847 119.914 -0.128 0.000 2.219 59 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 59 V C -0.727 175.329 176.094 -0.064 0.000 1.053 59 V CA 2.221 64.476 62.300 -0.075 0.000 1.009 59 V CB -1.304 30.482 31.823 -0.061 0.000 0.636 59 V HN 0.331 nan 8.190 nan 0.000 0.445 60 P HA -0.156 nan 4.420 nan 0.000 0.217 60 P C 1.945 179.230 177.300 -0.025 0.000 1.150 60 P CA 1.619 64.691 63.100 -0.047 0.000 0.832 60 P CB -0.001 31.638 31.700 -0.102 0.000 0.787 61 L N -0.550 120.581 121.223 -0.153 0.000 2.072 61 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 61 L C 3.187 180.057 176.870 0.000 0.000 1.079 61 L CA 1.433 56.169 54.840 -0.174 0.000 0.752 61 L CB -0.851 40.854 42.059 -0.591 0.000 0.906 61 L HN 0.027 nan 8.230 nan 0.000 0.436 62 Q N -0.402 119.401 119.800 0.005 0.000 2.020 62 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 62 Q C 2.042 178.132 176.000 0.150 0.000 0.982 62 Q CA 2.364 58.238 55.803 0.119 0.000 0.838 62 Q CB -0.030 28.747 28.738 0.065 0.000 0.899 62 Q HN 0.339 nan 8.270 nan 0.000 0.423 63 T N 1.471 116.095 114.554 0.116 0.000 2.699 63 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 63 T C 1.655 176.468 174.700 0.188 0.000 1.036 63 T CA 1.597 63.790 62.100 0.156 0.000 1.147 63 T CB -0.276 68.683 68.868 0.151 0.000 0.862 63 T HN 0.384 nan 8.240 nan 0.000 0.446 64 M N 0.933 120.606 119.600 0.122 0.000 2.065 64 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 64 M C 2.409 178.799 176.300 0.151 0.000 1.069 64 M CA 1.761 56.999 55.300 -0.103 0.000 1.110 64 M CB -0.468 31.953 32.600 -0.299 0.000 1.328 64 M HN 0.159 nan 8.290 nan 0.000 0.405 65 S N 1.415 117.265 115.700 0.250 0.000 2.374 65 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 65 S C 1.518 176.356 174.600 0.397 0.000 1.037 65 S CA 1.639 60.055 58.200 0.359 0.000 1.024 65 S CB -0.667 62.775 63.200 0.404 0.000 0.861 65 S HN 0.551 nan 8.310 nan 0.000 0.456 66 N N 1.274 120.207 118.700 0.388 0.000 2.069 66 N HA -0.038 4.702 4.740 -0.000 0.000 0.191 66 N C 1.681 177.363 175.510 0.287 0.000 1.031 66 N CA 1.241 54.539 53.050 0.413 0.000 0.852 66 N CB -0.387 38.284 38.487 0.306 0.000 1.018 66 N HN 0.415 nan 8.380 nan 0.000 0.423 67 M N -0.506 119.257 119.600 0.272 0.000 2.229 67 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 67 M C 1.922 178.235 176.300 0.022 0.000 1.063 67 M CA 1.001 56.452 55.300 0.252 0.000 1.114 67 M CB -0.261 32.613 32.600 0.457 0.000 1.387 67 M HN 0.048 nan 8.290 nan 0.000 0.420 68 F N 0.710 120.564 119.950 -0.160 0.000 2.113 68 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 68 F C 1.998 177.674 175.800 -0.206 0.000 1.103 68 F CA 1.408 59.099 58.000 -0.517 0.000 1.248 68 F CB -0.478 38.412 39.000 -0.184 0.000 0.999 68 F HN -0.212 nan 8.300 nan 0.000 0.475 69 V N -0.423 119.384 119.914 -0.177 0.000 2.332 69 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 69 V C 2.689 178.650 176.094 -0.222 0.000 1.055 69 V CA 2.122 64.253 62.300 -0.281 0.000 1.038 69 V CB -1.287 30.256 31.823 -0.468 0.000 0.651 69 V HN 0.520 nan 8.190 nan 0.000 0.450 70 S N -0.947 114.696 115.700 -0.095 0.000 2.382 70 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 70 S C 1.802 176.340 174.600 -0.104 0.000 1.027 70 S CA 2.004 60.181 58.200 -0.039 0.000 0.991 70 S CB -0.381 62.854 63.200 0.058 0.000 0.823 70 S HN 0.594 nan 8.310 nan 0.000 0.469 71 F N 1.517 121.242 119.950 -0.376 0.000 2.037 71 F HA 0.061 4.588 4.527 -0.000 0.000 0.291 71 F C 1.841 177.360 175.800 -0.468 0.000 1.137 71 F CA 1.304 59.059 58.000 -0.409 0.000 1.178 71 F CB -0.754 37.877 39.000 -0.615 0.000 0.995 71 F HN 0.198 nan 8.300 nan 0.000 0.472 72 I N 0.594 120.796 120.570 -0.614 0.000 2.761 72 I HA -0.241 3.929 4.170 -0.000 0.000 0.266 72 I C 1.988 177.761 176.117 -0.573 0.000 1.239 72 I CA 1.569 62.440 61.300 -0.714 0.000 1.451 72 I CB -0.971 36.498 38.000 -0.886 0.000 1.096 72 I HN 0.297 nan 8.210 nan 0.000 0.465 73 T N -1.505 112.774 114.554 -0.458 0.000 2.978 73 T HA 0.031 4.381 4.350 -0.000 0.000 0.262 73 T C 1.012 175.513 174.700 -0.332 0.000 1.063 73 T CA 0.754 62.633 62.100 -0.370 0.000 1.140 73 T CB -0.047 68.684 68.868 -0.228 0.000 0.886 73 T HN 0.304 nan 8.240 nan 0.000 0.470 74 S N 1.308 116.808 115.700 -0.333 0.000 2.399 74 S HA 0.176 4.646 4.470 -0.000 0.000 0.301 74 S C 1.319 175.731 174.600 -0.313 0.000 1.093 74 S CA -0.537 57.500 58.200 -0.272 0.000 1.077 74 S CB 0.502 63.581 63.200 -0.201 0.000 0.980 74 S HN 0.302 nan 8.310 nan 0.000 0.494 75 T N 4.113 118.512 114.554 -0.258 0.000 2.721 75 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 75 T C 1.238 175.819 174.700 -0.199 0.000 1.038 75 T CA 1.662 63.620 62.100 -0.236 0.000 1.145 75 T CB -0.306 68.455 68.868 -0.178 0.000 0.858 75 T HN 0.637 nan 8.240 nan 0.000 0.459 76 D N 0.612 120.915 120.400 -0.162 0.000 2.149 76 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 76 D C 2.390 178.619 176.300 -0.118 0.000 0.990 76 D CA 1.099 55.030 54.000 -0.115 0.000 0.839 76 D CB -0.035 40.714 40.800 -0.086 0.000 0.948 76 D HN 0.430 nan 8.370 nan 0.000 0.460 77 R N -0.044 120.340 120.500 -0.193 0.000 2.055 77 R HA 0.026 4.366 4.340 -0.000 0.000 0.221 77 R C 2.543 178.664 176.300 -0.298 0.000 1.154 77 R CA 1.110 57.093 56.100 -0.195 0.000 0.975 77 R CB -0.389 29.786 30.300 -0.207 0.000 0.869 77 R HN 0.266 nan 8.270 nan 0.000 0.437 78 C N 0.189 119.052 119.300 -0.727 0.000 2.546 78 C HA 0.300 4.760 4.460 -0.000 0.000 0.275 78 C C 2.196 176.989 174.990 -0.328 0.000 1.393 78 C CA -0.641 57.931 59.018 -0.745 0.000 1.703 78 C CB -1.304 25.735 27.740 -1.169 0.000 1.710 78 C HN 0.529 nan 8.230 nan 0.000 0.581 79 G N 1.477 110.162 108.800 -0.192 0.000 2.469 79 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 79 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 79 G C 1.293 176.145 174.900 -0.081 0.000 1.150 79 G CA 1.313 46.331 45.100 -0.136 0.000 0.763 79 G HN 0.880 nan 8.290 nan 0.000 0.561 80 Y N -0.224 119.996 120.300 -0.134 0.000 2.315 80 Y HA 0.034 4.584 4.550 -0.000 0.000 0.288 80 Y C 2.472 178.277 175.900 -0.158 0.000 1.154 80 Y CA 1.365 59.419 58.100 -0.078 0.000 1.229 80 Y CB -0.234 38.227 38.460 0.001 0.000 0.980 80 Y HN 0.178 nan 8.280 nan 0.000 0.540 81 M N 0.436 119.385 119.600 -1.084 0.000 2.562 81 M HA 0.056 4.536 4.480 -0.000 0.000 0.257 81 M C 0.845 176.823 176.300 -0.536 0.000 1.099 81 M CA 0.829 55.282 55.300 -1.412 0.000 1.099 81 M CB 0.099 31.741 32.600 -1.597 0.000 1.427 81 M HN 0.352 nan 8.290 nan 0.000 0.489 82 L N -0.290 120.742 121.223 -0.318 0.000 2.741 82 L HA 0.220 4.560 4.340 -0.000 0.000 0.237 82 L C 0.156 176.928 176.870 -0.163 0.000 1.178 82 L CA -0.125 54.591 54.840 -0.206 0.000 0.973 82 L CB -0.297 41.621 42.059 -0.235 0.000 1.255 82 L HN 0.140 nan 8.230 nan 0.000 0.498 83 R N 0.672 121.146 120.500 -0.043 0.000 2.532 83 R HA 0.195 4.535 4.340 -0.000 0.000 0.295 83 R C 1.095 177.404 176.300 0.016 0.000 0.968 83 R CA -0.534 55.522 56.100 -0.073 0.000 0.916 83 R CB 1.472 31.767 30.300 -0.009 0.000 1.124 83 R HN 0.075 nan 8.270 nan 0.000 0.463 84 K N 0.448 120.680 120.400 -0.280 0.000 2.173 84 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 84 K C 1.054 177.763 176.600 0.182 0.000 1.046 84 K CA 2.098 58.295 56.287 -0.149 0.000 0.929 84 K CB -0.360 31.948 32.500 -0.321 0.000 0.720 84 K HN 0.417 nan 8.250 nan 0.000 0.453 85 T N 0.402 115.039 114.554 0.138 0.000 2.759 85 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 85 T C 1.242 176.073 174.700 0.218 0.000 1.042 85 T CA 1.482 63.680 62.100 0.164 0.000 1.140 85 T CB -0.355 68.599 68.868 0.144 0.000 0.864 85 T HN 0.537 nan 8.240 nan 0.000 0.455 86 W N 0.775 122.138 121.300 0.104 0.000 2.388 86 W HA 0.033 4.693 4.660 -0.000 0.000 0.294 86 W C 1.753 178.308 176.519 0.060 0.000 1.212 86 W CA 0.226 57.615 57.345 0.072 0.000 1.271 86 W CB -0.537 28.918 29.460 -0.008 0.000 1.126 86 W HN 0.231 nan 8.180 nan 0.000 0.535 87 F N 0.965 120.870 119.950 -0.075 0.000 2.293 87 F HA -0.049 4.478 4.527 -0.000 0.000 0.297 87 F C 2.159 177.846 175.800 -0.190 0.000 1.089 87 F CA 1.630 59.438 58.000 -0.321 0.000 1.377 87 F CB -0.498 38.368 39.000 -0.224 0.000 1.051 87 F HN -0.214 nan 8.300 nan 0.000 0.511 88 N N -0.663 118.103 118.700 0.109 0.000 2.300 88 N HA -0.056 4.684 4.740 -0.000 0.000 0.179 88 N C 0.563 176.038 175.510 -0.057 0.000 1.016 88 N CA 0.845 53.930 53.050 0.058 0.000 0.876 88 N CB 0.141 38.715 38.487 0.145 0.000 0.979 88 N HN 0.185 nan 8.380 nan 0.000 0.432 89 S N -0.422 115.234 115.700 -0.073 0.000 2.667 89 S HA 0.272 4.742 4.470 -0.000 0.000 0.292 89 S C -1.513 173.026 174.600 -0.102 0.000 1.126 89 S CA -0.721 57.438 58.200 -0.069 0.000 0.881 89 S CB 1.492 64.693 63.200 0.001 0.000 1.132 89 S HN -0.048 nan 8.310 nan 0.000 0.492 90 D N 2.258 122.621 120.400 -0.062 0.000 3.139 90 D HA 0.222 4.862 4.640 -0.000 0.000 0.268 90 D C -0.733 175.579 176.300 0.021 0.000 1.322 90 D CA 0.079 54.056 54.000 -0.039 0.000 0.940 90 D CB 0.418 41.192 40.800 -0.042 0.000 1.050 90 D HN 0.338 nan 8.370 nan 0.000 0.503 91 T N 0.810 115.397 114.554 0.055 0.000 2.744 91 T HA 0.159 4.509 4.350 -0.000 0.000 0.291 91 T C 0.607 175.390 174.700 0.137 0.000 0.957 91 T CA -0.614 61.539 62.100 0.088 0.000 1.002 91 T CB 1.490 70.417 68.868 0.099 0.000 0.919 91 T HN -0.069 nan 8.240 nan 0.000 0.468 92 K N 4.696 125.165 120.400 0.116 0.000 2.361 92 K HA 0.153 4.473 4.320 -0.000 0.000 0.283 92 K C -2.295 174.394 176.600 0.149 0.000 1.078 92 K CA -1.074 55.293 56.287 0.134 0.000 1.041 92 K CB -0.108 32.444 32.500 0.088 0.000 0.932 92 K HN 0.334 nan 8.250 nan 0.000 0.462 93 P HA 0.009 nan 4.420 nan 0.000 0.275 93 P C -0.546 176.803 177.300 0.082 0.000 1.227 93 P CA -0.437 62.780 63.100 0.194 0.000 0.781 93 P CB 0.669 32.575 31.700 0.344 0.000 0.906 94 T N -0.439 114.151 114.554 0.060 0.000 3.162 94 T HA 0.479 4.829 4.350 -0.000 0.000 0.316 94 T C -0.018 174.670 174.700 -0.020 0.000 1.182 94 T CA -0.592 61.521 62.100 0.021 0.000 1.015 94 T CB -0.945 67.942 68.868 0.031 0.000 1.089 94 T HN 0.307 nan 8.240 nan 0.000 0.646 95 V N -0.601 119.270 119.914 -0.071 0.000 2.752 95 V HA 0.846 4.966 4.120 -0.000 0.000 0.302 95 V C -0.478 175.559 176.094 -0.095 0.000 1.133 95 V CA -1.082 61.141 62.300 -0.128 0.000 0.919 95 V CB 1.588 33.200 31.823 -0.351 0.000 1.026 95 V HN 0.800 nan 8.190 nan 0.000 0.429 96 S N 2.162 117.835 115.700 -0.045 0.000 2.478 96 S HA 0.812 5.282 4.470 -0.000 0.000 0.312 96 S C -0.941 173.671 174.600 0.020 0.000 1.094 96 S CA -0.381 57.810 58.200 -0.015 0.000 1.081 96 S CB 1.778 64.974 63.200 -0.006 0.000 1.007 96 S HN 1.113 nan 8.310 nan 0.000 0.475 97 D N 1.775 122.206 120.400 0.052 0.000 2.764 97 D HA 0.176 4.816 4.640 -0.000 0.000 0.227 97 D C -0.179 176.199 176.300 0.130 0.000 1.347 97 D CA -0.293 53.786 54.000 0.132 0.000 0.953 97 D CB 1.838 42.793 40.800 0.259 0.000 1.476 97 D HN 0.373 nan 8.370 nan 0.000 0.585 98 D N 1.976 122.449 120.400 0.123 0.000 2.347 98 D HA -0.260 4.380 4.640 -0.000 0.000 0.189 98 D C 1.534 177.907 176.300 0.121 0.000 1.020 98 D CA 1.489 55.552 54.000 0.104 0.000 0.875 98 D CB -0.289 40.588 40.800 0.128 0.000 0.928 98 D HN 0.497 nan 8.370 nan 0.000 0.454 99 F N 0.707 120.701 119.950 0.072 0.000 2.046 99 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 99 F C 2.309 178.088 175.800 -0.034 0.000 1.123 99 F CA 1.347 59.386 58.000 0.066 0.000 1.199 99 F CB -0.405 38.547 39.000 -0.080 0.000 0.972 99 F HN -0.060 nan 8.300 nan 0.000 0.474 100 I N -0.331 120.229 120.570 -0.018 0.000 2.194 100 I HA -0.372 3.798 4.170 -0.000 0.000 0.246 100 I C 2.241 178.238 176.117 -0.199 0.000 1.093 100 I CA 1.885 63.089 61.300 -0.160 0.000 1.355 100 I CB -0.815 37.190 38.000 0.009 0.000 1.046 100 I HN 0.235 nan 8.210 nan 0.000 0.413 101 T N -0.122 114.359 114.554 -0.122 0.000 2.684 101 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 101 T C 1.872 176.449 174.700 -0.205 0.000 1.036 101 T CA 2.144 64.169 62.100 -0.126 0.000 1.148 101 T CB -0.329 68.493 68.868 -0.076 0.000 0.863 101 T HN 0.385 nan 8.240 nan 0.000 0.436 102 T N 0.356 114.742 114.554 -0.279 0.000 2.770 102 T HA 0.015 4.365 4.350 -0.000 0.000 0.263 102 T C 1.506 175.811 174.700 -0.658 0.000 1.039 102 T CA 1.098 62.911 62.100 -0.478 0.000 1.142 102 T CB -0.261 68.247 68.868 -0.600 0.000 0.868 102 T HN 0.487 nan 8.240 nan 0.000 0.435 103 Y N -0.023 119.978 120.300 -0.498 0.000 2.559 103 Y HA 0.363 4.913 4.550 -0.000 0.000 0.279 103 Y C 0.756 176.397 175.900 -0.430 0.000 1.117 103 Y CA -0.519 57.284 58.100 -0.494 0.000 1.263 103 Y CB 0.429 38.456 38.460 -0.722 0.000 1.230 103 Y HN 0.029 nan 8.280 nan 0.000 0.528 104 I N 2.934 123.264 120.570 -0.399 0.000 2.347 104 I HA 0.250 4.420 4.170 -0.000 0.000 0.294 104 I C -0.200 175.790 176.117 -0.211 0.000 1.090 104 I CA 0.195 61.261 61.300 -0.391 0.000 1.314 104 I CB -0.435 37.146 38.000 -0.699 0.000 1.423 104 I HN 0.244 nan 8.210 nan 0.000 0.503 105 R N 5.695 126.118 120.500 -0.128 0.000 2.734 105 R HA 0.453 4.793 4.340 -0.000 0.000 0.271 105 R C -2.802 173.479 176.300 -0.032 0.000 1.021 105 R CA -1.695 54.362 56.100 -0.071 0.000 0.893 105 R CB 1.956 32.205 30.300 -0.085 0.000 1.244 105 R HN 0.179 nan 8.270 nan 0.000 0.464 106 P HA 0.127 nan 4.420 nan 0.000 0.266 106 P C -0.443 176.847 177.300 -0.017 0.000 1.215 106 P CA 0.177 63.277 63.100 0.001 0.000 0.763 106 P CB 0.613 32.315 31.700 0.003 0.000 0.806 107 R N 2.157 122.648 120.500 -0.016 0.000 2.469 107 R HA 0.264 4.604 4.340 -0.000 0.000 0.250 107 R C 0.325 176.598 176.300 -0.046 0.000 0.909 107 R CA -0.248 55.829 56.100 -0.038 0.000 1.050 107 R CB 0.335 30.606 30.300 -0.049 0.000 1.256 107 R HN 0.381 nan 8.270 nan 0.000 0.550 108 L N 2.006 123.211 121.223 -0.030 0.000 2.312 108 L HA 0.227 4.567 4.340 -0.000 0.000 0.281 108 L C 0.254 177.111 176.870 -0.021 0.000 1.070 108 L CA -0.339 54.480 54.840 -0.034 0.000 0.805 108 L CB 1.406 43.455 42.059 -0.017 0.000 1.174 108 L HN 0.045 nan 8.230 nan 0.000 0.434 109 Q N 3.041 122.824 119.800 -0.028 0.000 2.300 109 Q HA 0.165 4.505 4.340 -0.000 0.000 0.262 109 Q C -0.896 175.099 176.000 -0.009 0.000 1.109 109 Q CA -0.180 55.610 55.803 -0.021 0.000 0.905 109 Q CB 1.163 29.885 28.738 -0.026 0.000 1.280 109 Q HN 0.475 nan 8.270 nan 0.000 0.426 110 V N 6.437 126.348 119.914 -0.005 0.000 2.617 110 V HA 0.362 4.482 4.120 -0.000 0.000 0.298 110 V C -1.421 174.672 176.094 -0.002 0.000 1.048 110 V CA -1.354 60.946 62.300 0.000 0.000 0.964 110 V CB 1.622 33.447 31.823 0.003 0.000 1.004 110 V HN 0.930 nan 8.190 nan 0.000 0.466 111 P HA 0.009 nan 4.420 nan 0.000 0.245 111 P C 1.399 178.702 177.300 0.004 0.000 1.203 111 P CA 0.228 63.329 63.100 0.002 0.000 0.792 111 P CB 0.227 31.928 31.700 0.001 0.000 0.997 112 M N 1.396 120.997 119.600 0.001 0.000 2.124 112 M HA -0.219 4.261 4.480 -0.000 0.000 0.253 112 M C 1.999 178.303 176.300 0.007 0.000 1.077 112 M CA 1.992 57.293 55.300 0.002 0.000 1.085 112 M CB -1.275 31.323 32.600 -0.003 0.000 1.320 112 M HN -0.174 nan 8.290 nan 0.000 0.404 113 S N -0.071 115.634 115.700 0.009 0.000 2.370 113 S HA -0.190 4.279 4.470 -0.000 0.000 0.226 113 S C 1.609 176.231 174.600 0.037 0.000 1.033 113 S CA 1.730 59.943 58.200 0.022 0.000 1.011 113 S CB -0.650 62.566 63.200 0.026 0.000 0.852 113 S HN 0.632 nan 8.310 nan 0.000 0.457 114 D N 0.511 120.929 120.400 0.030 0.000 2.084 114 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 114 D C 2.404 178.711 176.300 0.011 0.000 0.990 114 D CA 1.833 55.847 54.000 0.023 0.000 0.826 114 D CB -0.276 40.531 40.800 0.012 0.000 0.971 114 D HN 0.546 nan 8.370 nan 0.000 0.453 115 T N -1.795 112.763 114.554 0.007 0.000 2.759 115 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 115 T C 2.060 176.761 174.700 0.002 0.000 1.042 115 T CA 1.235 63.336 62.100 0.002 0.000 1.140 115 T CB -0.791 68.079 68.868 0.002 0.000 0.864 115 T HN -0.028 nan 8.240 nan 0.000 0.455 116 V N 1.523 121.443 119.914 0.008 0.000 2.358 116 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 116 V C 3.004 179.104 176.094 0.010 0.000 1.047 116 V CA 1.967 64.273 62.300 0.010 0.000 1.035 116 V CB -0.799 31.034 31.823 0.016 0.000 0.658 116 V HN 0.489 nan 8.190 nan 0.000 0.452 117 R N -0.240 120.271 120.500 0.019 0.000 2.073 117 R HA -0.200 4.140 4.340 -0.000 0.000 0.234 117 R C 2.433 178.717 176.300 -0.026 0.000 1.134 117 R CA 1.938 58.047 56.100 0.015 0.000 0.952 117 R CB -0.225 30.095 30.300 0.033 0.000 0.850 117 R HN 0.603 nan 8.270 nan 0.000 0.433 118 Q N 0.443 120.223 119.800 -0.032 0.000 2.014 118 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 118 Q C 2.315 178.272 176.000 -0.072 0.000 0.993 118 Q CA 1.856 57.623 55.803 -0.059 0.000 0.850 118 Q CB -0.296 28.421 28.738 -0.036 0.000 0.916 118 Q HN 0.387 nan 8.270 nan 0.000 0.417 119 L N 0.966 122.166 121.223 -0.039 0.000 2.197 119 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 119 L C 2.130 178.975 176.870 -0.042 0.000 1.095 119 L CA 1.053 55.874 54.840 -0.032 0.000 0.764 119 L CB -0.408 41.644 42.059 -0.012 0.000 0.897 119 L HN 0.360 nan 8.230 nan 0.000 0.436 120 N N 0.153 118.825 118.700 -0.046 0.000 2.092 120 N HA -0.163 4.577 4.740 -0.000 0.000 0.189 120 N C 1.521 176.978 175.510 -0.089 0.000 1.040 120 N CA 1.284 54.309 53.050 -0.042 0.000 0.845 120 N CB -0.083 38.394 38.487 -0.016 0.000 1.017 120 N HN 0.137 nan 8.380 nan 0.000 0.426 121 N N 0.172 118.775 118.700 -0.162 0.000 2.187 121 N HA -0.179 4.561 4.740 -0.000 0.000 0.194 121 N C 0.995 176.296 175.510 -0.348 0.000 1.002 121 N CA 0.793 53.657 53.050 -0.309 0.000 0.882 121 N CB -0.323 37.840 38.487 -0.540 0.000 1.003 121 N HN 0.284 nan 8.380 nan 0.000 0.443 122 L N 0.633 121.716 121.223 -0.234 0.000 2.591 122 L HA 0.086 4.426 4.340 -0.000 0.000 0.228 122 L C 0.813 177.682 176.870 -0.002 0.000 1.133 122 L CA 0.160 54.950 54.840 -0.083 0.000 0.880 122 L CB -0.332 41.703 42.059 -0.039 0.000 1.033 122 L HN 0.044 nan 8.230 nan 0.000 0.450 123 S N -2.083 113.610 115.700 -0.013 0.000 2.632 123 S HA 0.301 4.771 4.470 -0.000 0.000 0.271 123 S C 1.419 176.036 174.600 0.028 0.000 1.260 123 S CA -0.706 57.501 58.200 0.012 0.000 1.010 123 S CB 0.991 64.195 63.200 0.007 0.000 0.965 123 S HN 0.118 nan 8.310 nan 0.000 0.534 124 L N 0.425 121.666 121.223 0.029 0.000 1.933 124 L HA -0.153 4.187 4.340 -0.000 0.000 0.220 124 L C 1.183 178.074 176.870 0.034 0.000 1.078 124 L CA 1.528 56.388 54.840 0.032 0.000 0.773 124 L CB -0.486 41.588 42.059 0.025 0.000 0.890 124 L HN 0.729 nan 8.230 nan 0.000 0.434 125 Q N 0.126 119.944 119.800 0.030 0.000 2.506 125 Q HA 0.306 4.646 4.340 -0.000 0.000 0.242 125 Q C -2.167 173.855 176.000 0.037 0.000 1.060 125 Q CA -1.682 54.141 55.803 0.033 0.000 0.826 125 Q CB 1.044 29.799 28.738 0.028 0.000 1.169 125 Q HN 0.207 nan 8.270 nan 0.000 0.521 126 P HA 0.019 nan 4.420 nan 0.000 0.275 126 P C -0.397 176.938 177.300 0.057 0.000 1.266 126 P CA -0.547 62.583 63.100 0.049 0.000 0.793 126 P CB 0.691 32.425 31.700 0.056 0.000 1.074 127 S N -0.430 115.310 115.700 0.067 0.000 2.531 127 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 127 S C 1.259 175.912 174.600 0.088 0.000 1.305 127 S CA -0.011 58.233 58.200 0.074 0.000 1.058 127 S CB -0.032 63.220 63.200 0.086 0.000 0.899 127 S HN 0.446 nan 8.310 nan 0.000 0.493 128 A N 5.577 128.445 122.820 0.080 0.000 1.929 128 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 128 A C 0.858 178.508 177.584 0.111 0.000 1.176 128 A CA 1.041 53.131 52.037 0.088 0.000 0.628 128 A CB -0.042 19.000 19.000 0.071 0.000 0.816 128 A HN 0.678 nan 8.150 nan 0.000 0.444 129 K N 1.199 121.666 120.400 0.113 0.000 2.478 129 K HA 0.318 4.638 4.320 -0.000 0.000 0.236 129 K C -2.933 173.772 176.600 0.176 0.000 1.021 129 K CA -1.874 54.499 56.287 0.145 0.000 1.010 129 K CB 1.342 33.902 32.500 0.101 0.000 1.331 129 K HN 0.333 nan 8.250 nan 0.000 0.470 130 P HA 0.166 nan 4.420 nan 0.000 0.274 130 P C -0.184 177.288 177.300 0.286 0.000 1.231 130 P CA -0.373 62.854 63.100 0.212 0.000 0.790 130 P CB 1.316 33.128 31.700 0.186 0.000 0.951 131 K N 0.952 121.503 120.400 0.252 0.000 2.188 131 K HA 0.075 4.395 4.320 -0.000 0.000 0.246 131 K C 1.554 178.288 176.600 0.224 0.000 1.026 131 K CA -0.349 56.113 56.287 0.291 0.000 0.871 131 K CB 0.090 32.735 32.500 0.241 0.000 1.042 131 K HN 0.400 nan 8.250 nan 0.000 0.509 132 L N 0.422 121.733 121.223 0.146 0.000 2.179 132 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 132 L C 2.275 179.217 176.870 0.119 0.000 1.096 132 L CA 0.734 55.561 54.840 -0.021 0.000 0.779 132 L CB -0.332 41.634 42.059 -0.155 0.000 0.922 132 L HN 0.617 nan 8.230 nan 0.000 0.443 133 Y N 1.508 121.831 120.300 0.039 0.000 2.030 133 Y HA -0.427 4.123 4.550 -0.000 0.000 0.272 133 Y C 2.598 178.494 175.900 -0.007 0.000 1.185 133 Y CA 2.319 60.439 58.100 0.032 0.000 1.120 133 Y CB -0.442 38.040 38.460 0.037 0.000 0.955 133 Y HN 0.244 nan 8.280 nan 0.000 0.495 134 E N -0.287 119.879 120.200 -0.057 0.000 2.033 134 E HA -0.326 4.024 4.350 -0.000 0.000 0.199 134 E C 2.325 178.734 176.600 -0.319 0.000 1.011 134 E CA 2.006 58.285 56.400 -0.202 0.000 0.815 134 E CB -0.218 29.463 29.700 -0.032 0.000 0.755 134 E HN 0.503 nan 8.360 nan 0.000 0.451 135 R N 0.121 120.471 120.500 -0.250 0.000 2.105 135 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 135 R C 2.635 178.638 176.300 -0.495 0.000 1.135 135 R CA 2.004 57.813 56.100 -0.485 0.000 0.967 135 R CB -0.220 29.975 30.300 -0.176 0.000 0.861 135 R HN 0.365 nan 8.270 nan 0.000 0.442 136 Q N 0.096 119.804 119.800 -0.152 0.000 1.993 136 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 136 Q C 1.815 177.654 176.000 -0.268 0.000 0.984 136 Q CA 1.146 56.926 55.803 -0.038 0.000 0.837 136 Q CB -0.192 28.598 28.738 0.086 0.000 0.902 136 Q HN 0.355 nan 8.270 nan 0.000 0.423 137 N N 0.453 118.921 118.700 -0.386 0.000 2.192 137 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 137 N C 1.588 176.878 175.510 -0.367 0.000 1.013 137 N CA 1.315 54.123 53.050 -0.403 0.000 0.863 137 N CB -0.106 38.074 38.487 -0.511 0.000 0.990 137 N HN 0.249 nan 8.380 nan 0.000 0.430 138 A N 1.448 123.985 122.820 -0.471 0.000 1.840 138 A HA 0.003 4.324 4.320 -0.000 0.000 0.214 138 A C 2.275 179.604 177.584 -0.426 0.000 1.198 138 A CA 0.686 52.430 52.037 -0.487 0.000 0.608 138 A CB -0.662 17.780 19.000 -0.931 0.000 0.839 138 A HN 0.164 nan 8.150 nan 0.000 0.443 139 I N -0.981 119.229 120.570 -0.600 0.000 2.423 139 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 139 I C 2.650 178.659 176.117 -0.179 0.000 1.151 139 I CA 1.789 62.804 61.300 -0.475 0.000 1.421 139 I CB -0.209 37.324 38.000 -0.778 0.000 1.079 139 I HN 0.481 nan 8.210 nan 0.000 0.431 140 M N 0.319 119.779 119.600 -0.233 0.000 2.553 140 M HA -0.030 4.450 4.480 -0.000 0.000 0.255 140 M C 1.726 177.806 176.300 -0.367 0.000 1.181 140 M CA 1.482 56.567 55.300 -0.358 0.000 1.210 140 M CB 0.233 32.529 32.600 -0.507 0.000 1.280 140 M HN -0.115 nan 8.290 nan 0.000 0.495 141 K N 0.232 120.453 120.400 -0.299 0.000 2.404 141 K HA 0.205 4.525 4.320 -0.000 0.000 0.194 141 K C 0.425 176.934 176.600 -0.152 0.000 1.023 141 K CA 0.485 56.636 56.287 -0.228 0.000 1.094 141 K CB 0.191 32.565 32.500 -0.210 0.000 0.841 141 K HN 0.630 nan 8.250 nan 0.000 0.523 142 G N 2.497 111.209 108.800 -0.146 0.000 2.350 142 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.298 142 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.298 142 G C -0.128 174.731 174.900 -0.069 0.000 1.037 142 G CA 0.122 45.171 45.100 -0.085 0.000 1.074 142 G HN 0.160 nan 8.290 nan 0.000 0.511 143 L N -0.283 120.876 121.223 -0.107 0.000 2.400 143 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 143 L C 0.428 177.273 176.870 -0.041 0.000 1.061 143 L CA -1.225 53.566 54.840 -0.082 0.000 0.799 143 L CB 0.600 42.583 42.059 -0.126 0.000 1.240 143 L HN 0.124 nan 8.230 nan 0.000 0.461 144 D N 1.064 121.456 120.400 -0.013 0.000 2.341 144 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 144 D C -0.214 176.093 176.300 0.010 0.000 1.106 144 D CA 0.011 54.033 54.000 0.036 0.000 0.905 144 D CB 2.094 42.928 40.800 0.055 0.000 1.202 144 D HN 0.254 nan 8.370 nan 0.000 0.426 145 I N 1.313 121.933 120.570 0.082 0.000 2.664 145 I HA 0.235 4.405 4.170 -0.000 0.000 0.308 145 I C -2.226 173.923 176.117 0.053 0.000 0.984 145 I CA -2.586 58.766 61.300 0.087 0.000 1.213 145 I CB 1.999 40.132 38.000 0.221 0.000 1.379 145 I HN 0.075 nan 8.210 nan 0.000 0.501 146 P HA -0.031 nan 4.420 nan 0.000 0.268 146 P C -0.324 177.034 177.300 0.097 0.000 1.204 146 P CA 0.200 63.277 63.100 -0.037 0.000 0.768 146 P CB 0.348 32.046 31.700 -0.004 0.000 0.842 147 Y N 0.897 121.224 120.300 0.046 0.000 2.207 147 Y HA -0.141 4.409 4.550 -0.000 0.000 0.287 147 Y C 2.410 178.332 175.900 0.035 0.000 1.156 147 Y CA 1.270 59.393 58.100 0.038 0.000 1.182 147 Y CB -1.531 36.945 38.460 0.026 0.000 0.979 147 Y HN 0.308 nan 8.280 nan 0.000 0.521 148 S N -0.467 115.343 115.700 0.182 0.000 2.634 148 S HA -0.003 4.467 4.470 -0.000 0.000 0.221 148 S C 0.541 175.199 174.600 0.097 0.000 0.952 148 S CA -0.307 57.962 58.200 0.115 0.000 0.930 148 S CB -0.402 62.850 63.200 0.086 0.000 0.780 148 S HN 0.379 nan 8.310 nan 0.000 0.498 149 E N 3.499 123.767 120.200 0.112 0.000 2.257 149 E HA 0.122 4.472 4.350 -0.000 0.000 0.278 149 E C -2.436 174.230 176.600 0.111 0.000 1.049 149 E CA -2.048 54.418 56.400 0.111 0.000 0.876 149 E CB 0.702 30.478 29.700 0.128 0.000 1.035 149 E HN 0.116 nan 8.360 nan 0.000 0.419 150 P HA 0.223 nan 4.420 nan 0.000 0.281 150 P C -0.857 176.507 177.300 0.107 0.000 1.249 150 P CA -0.376 62.788 63.100 0.107 0.000 0.810 150 P CB 0.877 32.636 31.700 0.097 0.000 1.008 151 I N -2.873 117.757 120.570 0.099 0.000 3.006 151 I HA 0.478 4.648 4.170 -0.000 0.000 0.306 151 I C -0.668 175.458 176.117 0.016 0.000 1.250 151 I CA -1.320 60.012 61.300 0.054 0.000 0.996 151 I CB 1.685 39.678 38.000 -0.011 0.000 1.261 151 I HN 0.148 nan 8.210 nan 0.000 0.442 152 E N 5.150 125.340 120.200 -0.017 0.000 2.129 152 E HA 0.226 4.576 4.350 -0.000 0.000 0.283 152 E C -1.755 174.775 176.600 -0.116 0.000 1.080 152 E CA -1.543 54.813 56.400 -0.072 0.000 0.867 152 E CB 0.834 30.521 29.700 -0.021 0.000 1.056 152 E HN 0.510 nan 8.360 nan 0.000 0.404 153 P HA -0.295 nan 4.420 nan 0.000 0.216 153 P C 1.560 178.845 177.300 -0.026 0.000 1.154 153 P CA 1.418 64.450 63.100 -0.114 0.000 0.865 153 P CB -0.165 31.350 31.700 -0.308 0.000 0.789 154 C N -0.380 118.889 119.300 -0.052 0.000 2.398 154 C HA -0.100 4.360 4.460 -0.000 0.000 0.282 154 C C 2.500 177.472 174.990 -0.029 0.000 1.275 154 C CA 0.665 59.665 59.018 -0.030 0.000 1.797 154 C CB -2.034 25.742 27.740 0.060 0.000 1.991 154 C HN 0.163 nan 8.230 nan 0.000 0.505 155 K N 0.392 120.777 120.400 -0.024 0.000 2.007 155 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 155 K C 2.136 178.740 176.600 0.007 0.000 1.047 155 K CA 0.937 57.228 56.287 0.006 0.000 0.937 155 K CB -0.441 32.066 32.500 0.011 0.000 0.718 155 K HN 0.307 nan 8.250 nan 0.000 0.438 156 L N 1.156 122.309 121.223 -0.117 0.000 2.270 156 L HA -0.131 4.209 4.340 -0.000 0.000 0.217 156 L C 0.778 177.661 176.870 0.021 0.000 1.107 156 L CA 1.144 55.940 54.840 -0.074 0.000 0.772 156 L CB -1.013 41.063 42.059 0.027 0.000 0.902 156 L HN 0.086 nan 8.230 nan 0.000 0.439 157 F N 0.672 120.379 119.950 -0.406 0.000 2.572 157 F HA 0.173 4.700 4.527 -0.000 0.000 0.370 157 F C 0.891 176.412 175.800 -0.465 0.000 1.103 157 F CA 0.181 57.649 58.000 -0.887 0.000 1.286 157 F CB 0.283 38.750 39.000 -0.889 0.000 1.105 157 F HN -0.079 nan 8.300 nan 0.000 0.583 158 R N 1.973 121.613 120.500 -1.434 0.000 2.869 158 R HA 0.505 4.845 4.340 -0.000 0.000 0.263 158 R C -1.098 174.456 176.300 -1.244 0.000 1.066 158 R CA -0.980 54.608 56.100 -0.853 0.000 0.960 158 R CB 1.784 31.904 30.300 -0.300 0.000 1.221 158 R HN 0.563 nan 8.270 nan 0.000 0.474 159 S N -0.094 115.292 115.700 -0.524 0.000 2.525 159 S HA 0.629 5.099 4.470 -0.000 0.000 0.278 159 S C -0.613 173.931 174.600 -0.094 0.000 1.234 159 S CA -0.695 57.343 58.200 -0.270 0.000 1.058 159 S CB 1.216 64.378 63.200 -0.064 0.000 0.983 159 S HN 0.241 nan 8.310 nan 0.000 0.495 160 V N 1.742 121.668 119.914 0.021 0.000 3.074 160 V HA 0.561 4.681 4.120 -0.000 0.000 0.314 160 V C 1.287 177.424 176.094 0.072 0.000 1.117 160 V CA -0.679 61.658 62.300 0.063 0.000 1.014 160 V CB 1.400 33.288 31.823 0.108 0.000 1.057 160 V HN 0.944 nan 8.190 nan 0.000 0.438 161 A N 1.727 124.577 122.820 0.050 0.000 1.909 161 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 161 A C 2.107 179.730 177.584 0.065 0.000 1.223 161 A CA 2.870 54.934 52.037 0.046 0.000 0.658 161 A CB -1.366 17.652 19.000 0.030 0.000 0.831 161 A HN 1.300 nan 8.150 nan 0.000 0.462 162 G N -0.153 108.696 108.800 0.082 0.000 2.666 162 G HA2 0.019 3.979 3.960 -0.000 0.000 0.215 162 G HA3 0.019 3.979 3.960 -0.000 0.000 0.215 162 G C 0.827 175.803 174.900 0.126 0.000 1.294 162 G CA 0.909 46.070 45.100 0.100 0.000 0.811 162 G HN 0.876 nan 8.290 nan 0.000 0.594 163 Q N -0.472 119.437 119.800 0.182 0.000 2.257 163 Q HA 0.516 4.856 4.340 -0.000 0.000 0.255 163 Q C 0.603 176.735 176.000 0.219 0.000 0.920 163 Q CA -0.011 55.914 55.803 0.203 0.000 0.927 163 Q CB 1.849 30.746 28.738 0.265 0.000 1.229 163 Q HN 0.130 nan 8.270 nan 0.000 0.433 164 T N 1.845 116.500 114.554 0.168 0.000 2.777 164 T HA 0.096 4.446 4.350 -0.000 0.000 0.266 164 T C 0.612 175.453 174.700 0.234 0.000 1.040 164 T CA 1.309 63.501 62.100 0.153 0.000 1.141 164 T CB -0.255 68.671 68.868 0.097 0.000 0.868 164 T HN 0.769 nan 8.240 nan 0.000 0.444 165 G N -0.572 108.373 108.800 0.243 0.000 2.714 165 G HA2 0.477 4.437 3.960 -0.000 0.000 0.292 165 G HA3 0.477 4.437 3.960 -0.000 0.000 0.292 165 G C 0.079 175.025 174.900 0.077 0.000 1.308 165 G CA -0.290 44.967 45.100 0.261 0.000 0.964 165 G HN 0.242 nan 8.290 nan 0.000 0.484 166 N N -0.995 117.467 118.700 -0.396 0.000 2.523 166 N HA 0.018 4.758 4.740 -0.000 0.000 0.209 166 N C 2.020 177.458 175.510 -0.119 0.000 1.039 166 N CA 0.237 52.884 53.050 -0.670 0.000 1.002 166 N CB 0.015 37.551 38.487 -1.586 0.000 1.270 166 N HN 0.270 nan 8.380 nan 0.000 0.481 167 I N 1.625 122.100 120.570 -0.158 0.000 2.335 167 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 167 I C -0.790 175.315 176.117 -0.019 0.000 1.129 167 I CA 1.185 62.417 61.300 -0.113 0.000 1.402 167 I CB -2.094 35.745 38.000 -0.267 0.000 1.069 167 I HN 0.239 nan 8.210 nan 0.000 0.424 168 P HA -0.121 nan 4.420 nan 0.000 0.218 168 P C 1.940 179.255 177.300 0.025 0.000 1.149 168 P CA 1.061 64.161 63.100 -0.000 0.000 0.817 168 P CB -0.061 31.645 31.700 0.010 0.000 0.785 169 M N -1.738 117.885 119.600 0.038 0.000 2.358 169 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 169 M C 2.061 178.361 176.300 -0.000 0.000 1.064 169 M CA 1.386 56.681 55.300 -0.007 0.000 1.093 169 M CB -1.337 31.218 32.600 -0.075 0.000 1.401 169 M HN 0.106 nan 8.290 nan 0.000 0.440 170 M N -0.135 119.575 119.600 0.184 0.000 2.108 170 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 170 M C 1.931 178.281 176.300 0.083 0.000 1.066 170 M CA 2.176 57.643 55.300 0.279 0.000 1.107 170 M CB -0.568 32.191 32.600 0.266 0.000 1.356 170 M HN 0.283 nan 8.290 nan 0.000 0.406 171 G N 0.474 109.294 108.800 0.033 0.000 2.418 171 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 171 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 171 G C 1.421 176.313 174.900 -0.013 0.000 1.158 171 G CA 0.928 46.030 45.100 0.003 0.000 0.771 171 G HN 0.523 nan 8.290 nan 0.000 0.545 172 I N -0.096 120.458 120.570 -0.026 0.000 2.202 172 I HA -0.085 4.085 4.170 -0.000 0.000 0.242 172 I C 2.542 178.612 176.117 -0.078 0.000 1.091 172 I CA 0.421 61.695 61.300 -0.043 0.000 1.368 172 I CB -0.191 37.784 38.000 -0.042 0.000 1.058 172 I HN 0.066 nan 8.210 nan 0.000 0.410 173 L N 0.848 121.990 121.223 -0.135 0.000 2.189 173 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 173 L C 2.420 179.221 176.870 -0.116 0.000 1.097 173 L CA 1.904 56.614 54.840 -0.216 0.000 0.764 173 L CB -0.837 41.004 42.059 -0.363 0.000 0.900 173 L HN 0.217 nan 8.230 nan 0.000 0.436 174 A N -2.367 120.420 122.820 -0.054 0.000 2.208 174 A HA 0.093 4.413 4.320 -0.000 0.000 0.209 174 A C 1.001 178.572 177.584 -0.022 0.000 1.161 174 A CA 0.323 52.346 52.037 -0.024 0.000 0.782 174 A CB -0.584 18.417 19.000 0.001 0.000 0.816 174 A HN 0.311 nan 8.150 nan 0.000 0.477 175 T N 2.660 117.197 114.554 -0.029 0.000 2.771 175 T HA 0.429 4.779 4.350 -0.000 0.000 0.291 175 T C -2.749 171.940 174.700 -0.019 0.000 0.954 175 T CA -1.030 61.059 62.100 -0.019 0.000 1.045 175 T CB 1.165 70.023 68.868 -0.017 0.000 0.917 175 T HN 0.023 nan 8.240 nan 0.000 0.484 176 P HA 0.137 nan 4.420 nan 0.000 0.263 176 P C -2.049 175.247 177.300 -0.006 0.000 1.195 176 P CA -0.897 62.199 63.100 -0.008 0.000 0.762 176 P CB -0.168 31.530 31.700 -0.003 0.000 0.799 177 P HA 0.126 nan 4.420 nan 0.000 0.274 177 P C -0.100 177.202 177.300 0.004 0.000 1.246 177 P CA -0.236 62.864 63.100 -0.000 0.000 0.795 177 P CB 1.207 32.908 31.700 0.002 0.000 1.006 178 A N 1.377 124.201 122.820 0.006 0.000 1.871 178 A HA 0.471 4.791 4.320 -0.000 0.000 0.211 178 A C 1.154 178.745 177.584 0.011 0.000 1.207 178 A CA 1.442 53.483 52.037 0.008 0.000 0.620 178 A CB -0.784 18.221 19.000 0.008 0.000 0.860 178 A HN 0.758 nan 8.150 nan 0.000 0.450 179 A N -1.334 121.494 122.820 0.013 0.000 2.483 179 A HA 0.606 4.926 4.320 -0.000 0.000 0.286 179 A C -0.442 177.154 177.584 0.019 0.000 1.207 179 A CA -0.427 51.620 52.037 0.017 0.000 0.764 179 A CB 0.264 19.274 19.000 0.017 0.000 1.341 179 A HN 0.321 nan 8.150 nan 0.000 0.428 180 Q N 0.577 120.390 119.800 0.023 0.000 2.271 180 Q HA 0.213 4.553 4.340 -0.000 0.000 0.273 180 Q C -0.327 175.687 176.000 0.024 0.000 1.051 180 Q CA 0.465 56.282 55.803 0.023 0.000 0.901 180 Q CB 0.215 28.972 28.738 0.031 0.000 1.174 180 Q HN 0.623 nan 8.270 nan 0.000 0.385 181 Q N 2.222 122.037 119.800 0.025 0.000 2.180 181 Q HA 0.218 4.558 4.340 -0.000 0.000 0.241 181 Q C -0.500 175.523 176.000 0.039 0.000 0.970 181 Q CA -0.639 55.185 55.803 0.036 0.000 0.919 181 Q CB 1.304 30.070 28.738 0.046 0.000 1.222 181 Q HN 0.628 nan 8.270 nan 0.000 0.482 182 Q N 1.505 121.334 119.800 0.050 0.000 2.524 182 Q HA 0.139 4.479 4.340 -0.000 0.000 0.246 182 Q C -2.004 174.041 176.000 0.075 0.000 1.063 182 Q CA -1.295 54.535 55.803 0.046 0.000 0.945 182 Q CB -0.231 28.540 28.738 0.056 0.000 1.292 182 Q HN 0.394 nan 8.270 nan 0.000 0.518 183 P HA 0.047 nan 4.420 nan 0.000 0.272 183 P C -1.157 176.275 177.300 0.221 0.000 1.240 183 P CA 0.081 63.225 63.100 0.074 0.000 0.791 183 P CB 0.349 32.048 31.700 -0.001 0.000 0.978 184 F N -1.223 118.855 119.950 0.213 0.000 2.576 184 F HA 0.707 5.234 4.527 -0.000 0.000 0.313 184 F C -1.677 174.295 175.800 0.287 0.000 1.078 184 F CA -1.689 56.423 58.000 0.188 0.000 0.921 184 F CB 1.387 40.407 39.000 0.032 0.000 1.232 184 F HN 0.083 nan 8.300 nan 0.000 0.459 185 F N 4.553 124.741 119.950 0.397 0.000 2.676 185 F HA 0.595 5.122 4.527 -0.000 0.000 0.371 185 F C -0.626 175.459 175.800 0.475 0.000 1.141 185 F CA -0.823 57.394 58.000 0.361 0.000 1.133 185 F CB 1.233 40.391 39.000 0.262 0.000 1.376 185 F HN 0.664 nan 8.300 nan 0.000 0.491 186 V N 1.295 121.392 119.914 0.306 0.000 3.193 186 V HA 1.025 5.145 4.120 -0.000 0.000 0.320 186 V C -0.489 175.783 176.094 0.298 0.000 1.112 186 V CA -0.742 61.676 62.300 0.196 0.000 1.026 186 V CB 1.429 33.012 31.823 -0.399 0.000 1.128 186 V HN 0.742 nan 8.190 nan 0.000 0.452 187 A N 0.420 123.441 122.820 0.334 0.000 2.549 187 A HA 0.836 5.156 4.320 -0.000 0.000 0.297 187 A C -0.663 177.045 177.584 0.207 0.000 1.061 187 A CA -0.700 51.493 52.037 0.261 0.000 0.690 187 A CB 1.790 20.956 19.000 0.276 0.000 1.287 187 A HN 0.953 nan 8.150 nan 0.000 0.402 188 E N -0.202 119.948 120.200 -0.083 0.000 2.518 188 E HA 0.438 4.788 4.350 -0.000 0.000 0.241 188 E C 0.663 177.095 176.600 -0.281 0.000 0.899 188 E CA -0.979 55.117 56.400 -0.507 0.000 0.888 188 E CB 1.094 30.307 29.700 -0.812 0.000 1.426 188 E HN 0.599 nan 8.360 nan 0.000 0.401 189 R N 0.445 120.766 120.500 -0.298 0.000 2.057 189 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 189 R C 1.998 178.198 176.300 -0.166 0.000 1.136 189 R CA 1.232 57.256 56.100 -0.126 0.000 0.952 189 R CB -0.002 30.272 30.300 -0.043 0.000 0.848 189 R HN 0.218 nan 8.270 nan 0.000 0.430 190 R N 0.582 120.987 120.500 -0.159 0.000 2.393 190 R HA 0.079 4.419 4.340 -0.000 0.000 0.244 190 R C -0.439 175.824 176.300 -0.062 0.000 0.920 190 R CA -0.024 56.026 56.100 -0.083 0.000 1.076 190 R CB 0.361 30.663 30.300 0.004 0.000 1.119 190 R HN 0.103 nan 8.270 nan 0.000 0.524 191 R N -1.211 119.175 120.500 -0.191 0.000 2.716 191 R HA 0.366 4.706 4.340 -0.000 0.000 0.271 191 R C -1.389 174.841 176.300 -0.116 0.000 1.028 191 R CA -0.862 55.204 56.100 -0.056 0.000 0.883 191 R CB 0.849 31.177 30.300 0.046 0.000 1.250 191 R HN -0.088 nan 8.270 nan 0.000 0.465 192 I N 2.083 122.709 120.570 0.094 0.000 2.441 192 I HA 0.412 4.582 4.170 -0.000 0.000 0.295 192 I C -0.713 175.386 176.117 -0.029 0.000 0.994 192 I CA -1.145 60.204 61.300 0.082 0.000 1.144 192 I CB 1.838 39.990 38.000 0.254 0.000 1.314 192 I HN 0.367 nan 8.210 nan 0.000 0.445 193 L N 6.924 128.090 121.223 -0.095 0.000 2.362 193 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 193 L C -1.069 175.623 176.870 -0.297 0.000 1.002 193 L CA -0.792 53.938 54.840 -0.184 0.000 0.818 193 L CB 1.831 43.859 42.059 -0.051 0.000 1.298 193 L HN 0.497 nan 8.230 nan 0.000 0.420 194 F N 0.149 119.744 119.950 -0.592 0.000 2.678 194 F HA 0.957 5.484 4.527 -0.000 0.000 0.308 194 F C -0.271 174.902 175.800 -1.045 0.000 1.118 194 F CA -0.462 56.988 58.000 -0.916 0.000 0.959 194 F CB 1.684 40.087 39.000 -0.996 0.000 1.305 194 F HN 0.629 nan 8.300 nan 0.000 0.443 195 G N 1.207 109.274 108.800 -1.222 0.000 2.336 195 G HA2 0.487 4.447 3.960 -0.000 0.000 0.286 195 G HA3 0.487 4.447 3.960 -0.000 0.000 0.286 195 G C -2.381 172.037 174.900 -0.805 0.000 1.269 195 G CA -0.643 43.834 45.100 -1.039 0.000 0.873 195 G HN 0.903 nan 8.290 nan 0.000 0.494 196 I N 0.754 120.771 120.570 -0.921 0.000 2.571 196 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 196 I C -0.203 175.766 176.117 -0.246 0.000 1.115 196 I CA -0.878 60.164 61.300 -0.429 0.000 1.045 196 I CB 2.326 40.082 38.000 -0.406 0.000 1.238 196 I HN 0.315 nan 8.210 nan 0.000 0.424 197 R N 3.430 123.933 120.500 0.005 0.000 2.428 197 R HA 0.784 5.124 4.340 -0.000 0.000 0.294 197 R C -0.549 175.751 176.300 0.001 0.000 1.000 197 R CA -0.682 55.431 56.100 0.022 0.000 0.960 197 R CB 2.030 32.363 30.300 0.055 0.000 1.076 197 R HN 0.636 nan 8.270 nan 0.000 0.475 198 S N 0.199 115.900 115.700 0.003 0.000 2.565 198 S HA 0.085 4.555 4.470 -0.000 0.000 0.274 198 S C 0.032 174.640 174.600 0.013 0.000 1.144 198 S CA -0.838 57.369 58.200 0.011 0.000 0.849 198 S CB 1.054 64.264 63.200 0.015 0.000 1.103 198 S HN 0.822 nan 8.310 nan 0.000 0.455 199 N N 1.950 120.659 118.700 0.014 0.000 2.422 199 N HA 0.197 4.937 4.740 -0.000 0.000 0.181 199 N C 0.235 175.754 175.510 0.015 0.000 1.080 199 N CA 0.360 53.417 53.050 0.013 0.000 0.893 199 N CB 0.135 38.628 38.487 0.011 0.000 0.973 199 N HN 0.618 nan 8.380 nan 0.000 0.456 200 A N 0.240 123.072 122.820 0.020 0.000 2.386 200 A HA 0.766 5.086 4.320 -0.000 0.000 0.311 200 A C -0.026 177.577 177.584 0.032 0.000 1.068 200 A CA -0.505 51.546 52.037 0.024 0.000 0.743 200 A CB 1.298 20.313 19.000 0.025 0.000 1.258 200 A HN 0.365 nan 8.150 nan 0.000 0.429 201 A N 1.168 124.007 122.820 0.031 0.000 2.639 201 A HA 0.355 4.675 4.320 -0.000 0.000 0.229 201 A C -0.022 177.598 177.584 0.060 0.000 1.062 201 A CA 0.712 52.773 52.037 0.040 0.000 0.761 201 A CB -0.408 18.611 19.000 0.032 0.000 0.988 201 A HN 0.798 nan 8.150 nan 0.000 0.510 202 I N 3.538 124.154 120.570 0.077 0.000 2.389 202 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 202 I C -1.950 174.251 176.117 0.140 0.000 0.999 202 I CA -2.239 59.129 61.300 0.113 0.000 1.129 202 I CB 1.989 40.052 38.000 0.105 0.000 1.288 202 I HN 0.529 nan 8.210 nan 0.000 0.444 203 P HA -0.004 nan 4.420 nan 0.000 0.267 203 P C -0.291 177.144 177.300 0.225 0.000 1.201 203 P CA -0.137 63.064 63.100 0.168 0.000 0.775 203 P CB 0.710 32.498 31.700 0.146 0.000 0.854 204 A N 1.768 124.669 122.820 0.135 0.000 2.366 204 A HA 0.607 4.927 4.320 -0.000 0.000 0.250 204 A C 0.843 178.510 177.584 0.138 0.000 1.099 204 A CA 0.784 52.899 52.037 0.130 0.000 0.794 204 A CB -0.725 18.312 19.000 0.062 0.000 1.056 204 A HN 0.944 nan 8.150 nan 0.000 0.499 205 G N -1.854 107.020 108.800 0.124 0.000 2.315 205 G HA2 0.548 4.508 3.960 -0.000 0.000 0.296 205 G HA3 0.548 4.508 3.960 -0.000 0.000 0.296 205 G C -0.312 174.585 174.900 -0.005 0.000 1.289 205 G CA -0.134 44.970 45.100 0.008 0.000 0.996 205 G HN 2.110 nan 8.290 nan 0.000 0.487 206 A N -0.719 121.998 122.820 -0.170 0.000 2.310 206 A HA 0.874 5.194 4.320 -0.000 0.000 0.299 206 A C -1.133 176.237 177.584 -0.357 0.000 1.147 206 A CA -0.215 51.758 52.037 -0.106 0.000 0.818 206 A CB 0.620 19.583 19.000 -0.062 0.000 1.096 206 A HN 1.363 nan 8.150 nan 0.000 0.495 207 Y N 0.148 120.513 120.300 0.109 0.000 2.433 207 Y HA 0.367 4.917 4.550 -0.000 0.000 0.337 207 Y C 0.084 176.040 175.900 0.094 0.000 1.026 207 Y CA -0.510 57.635 58.100 0.075 0.000 1.037 207 Y CB 2.012 40.552 38.460 0.134 0.000 1.245 207 Y HN 0.701 nan 8.280 nan 0.000 0.443 208 Q N 2.709 122.562 119.800 0.090 0.000 2.241 208 Q HA 0.532 4.872 4.340 -0.000 0.000 0.254 208 Q C -1.585 174.367 176.000 -0.081 0.000 0.917 208 Q CA -0.692 55.158 55.803 0.078 0.000 0.919 208 Q CB 1.813 30.563 28.738 0.020 0.000 1.237 208 Q HN 0.524 nan 8.270 nan 0.000 0.434 209 F N 0.990 120.958 119.950 0.031 0.000 2.467 209 F HA 0.241 4.768 4.527 -0.000 0.000 0.336 209 F C -0.035 175.709 175.800 -0.092 0.000 1.123 209 F CA -1.143 56.851 58.000 -0.010 0.000 0.964 209 F CB 1.521 40.486 39.000 -0.058 0.000 1.136 209 F HN 0.233 nan 8.300 nan 0.000 0.447 210 V N 2.334 122.260 119.914 0.019 0.000 2.397 210 V HA 0.235 4.355 4.120 -0.000 0.000 0.262 210 V C 0.046 175.979 176.094 -0.268 0.000 1.047 210 V CA -0.916 61.327 62.300 -0.094 0.000 1.003 210 V CB -0.003 31.769 31.823 -0.085 0.000 1.037 210 V HN 0.472 nan 8.190 nan 0.000 0.480 211 V N 8.939 128.645 119.914 -0.348 0.000 2.409 211 V HA 0.122 4.242 4.120 -0.000 0.000 0.270 211 V C -1.123 174.581 176.094 -0.649 0.000 1.019 211 V CA -0.835 61.065 62.300 -0.665 0.000 1.066 211 V CB -0.050 31.509 31.823 -0.440 0.000 1.021 211 V HN 0.869 nan 8.190 nan 0.000 0.476 212 P HA -0.004 nan 4.420 nan 0.000 0.265 212 P C 0.887 177.841 177.300 -0.578 0.000 1.187 212 P CA 0.336 63.051 63.100 -0.641 0.000 0.766 212 P CB 0.946 32.222 31.700 -0.707 0.000 0.820 213 A N 5.158 127.814 122.820 -0.272 0.000 1.971 213 A HA -0.203 4.117 4.320 -0.000 0.000 0.222 213 A C 2.077 179.615 177.584 -0.076 0.000 1.182 213 A CA 2.120 54.074 52.037 -0.138 0.000 0.649 213 A CB -1.758 17.221 19.000 -0.035 0.000 0.818 213 A HN 0.860 nan 8.150 nan 0.000 0.458 214 W N -1.390 119.864 121.300 -0.076 0.000 2.381 214 W HA 0.092 4.752 4.660 -0.000 0.000 0.301 214 W C 1.887 178.414 176.519 0.013 0.000 1.205 214 W CA 1.136 58.458 57.345 -0.039 0.000 1.285 214 W CB -1.017 28.391 29.460 -0.087 0.000 1.133 214 W HN 0.398 nan 8.180 nan 0.000 0.521 215 A N 1.540 124.061 122.820 -0.498 0.000 2.123 215 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 215 A C 2.001 179.473 177.584 -0.187 0.000 1.152 215 A CA 1.219 53.037 52.037 -0.364 0.000 0.728 215 A CB -1.063 17.383 19.000 -0.923 0.000 0.814 215 A HN 0.336 nan 8.150 nan 0.000 0.464 216 S N 0.022 115.582 115.700 -0.234 0.000 2.693 216 S HA -0.013 4.457 4.470 -0.000 0.000 0.243 216 S C 1.031 175.604 174.600 -0.046 0.000 0.973 216 S CA 1.127 59.242 58.200 -0.142 0.000 0.969 216 S CB -0.987 62.127 63.200 -0.143 0.000 0.771 216 S HN 1.127 nan 8.310 nan 0.000 0.542 217 V N -3.524 116.390 119.914 -0.001 0.000 3.398 217 V HA 0.486 4.606 4.120 -0.000 0.000 0.298 217 V C 0.389 176.510 176.094 0.046 0.000 1.496 217 V CA -0.590 61.727 62.300 0.029 0.000 1.044 217 V CB -0.564 31.293 31.823 0.055 0.000 0.880 217 V HN 0.374 nan 8.190 nan 0.000 0.443 218 L N 1.502 122.766 121.223 0.069 0.000 2.472 218 L HA 0.641 4.981 4.340 -0.000 0.000 0.260 218 L C 0.442 177.324 176.870 0.020 0.000 1.209 218 L CA 0.591 55.497 54.840 0.111 0.000 0.817 218 L CB 1.274 43.478 42.059 0.243 0.000 1.106 218 L HN 0.377 nan 8.230 nan 0.000 0.479 219 S N 0.151 115.824 115.700 -0.045 0.000 2.537 219 S HA 0.688 5.158 4.470 -0.000 0.000 0.271 219 S C -1.106 173.250 174.600 -0.406 0.000 1.148 219 S CA -0.649 57.430 58.200 -0.202 0.000 0.868 219 S CB 1.604 64.731 63.200 -0.122 0.000 1.115 219 S HN 0.471 nan 8.310 nan 0.000 0.461 220 V N 0.739 120.272 119.914 -0.635 0.000 3.141 220 V HA 1.032 5.152 4.120 -0.000 0.000 0.312 220 V C -0.646 175.148 176.094 -0.499 0.000 1.157 220 V CA -0.591 61.257 62.300 -0.754 0.000 1.041 220 V CB 1.372 32.502 31.823 -1.155 0.000 1.071 220 V HN 1.132 nan 8.190 nan 0.000 0.441 221 T N -2.377 111.952 114.554 -0.375 0.000 2.889 221 T HA 0.667 5.017 4.350 -0.000 0.000 0.315 221 T C 0.562 175.139 174.700 -0.204 0.000 1.291 221 T CA 0.028 61.989 62.100 -0.230 0.000 1.028 221 T CB 0.990 69.770 68.868 -0.146 0.000 1.235 221 T HN 2.516 nan 8.240 nan 0.000 0.491 222 G N 0.445 109.145 108.800 -0.167 0.000 2.341 222 G HA2 0.132 4.092 3.960 -0.000 0.000 0.292 222 G HA3 0.132 4.092 3.960 -0.000 0.000 0.292 222 G C 0.285 175.004 174.900 -0.303 0.000 1.021 222 G CA 0.140 45.117 45.100 -0.206 0.000 0.905 222 G HN 1.508 nan 8.290 nan 0.000 0.508 223 A N -0.384 122.293 122.820 -0.237 0.000 2.306 223 A HA 0.780 5.100 4.320 -0.000 0.000 0.314 223 A C -0.309 177.243 177.584 -0.054 0.000 1.164 223 A CA -0.641 51.291 52.037 -0.175 0.000 0.822 223 A CB 0.879 19.782 19.000 -0.162 0.000 1.130 223 A HN 0.519 nan 8.150 nan 0.000 0.496 224 Y N 1.220 121.613 120.300 0.155 0.000 2.341 224 Y HA 0.481 5.031 4.550 -0.000 0.000 0.337 224 Y C 0.005 176.037 175.900 0.219 0.000 1.014 224 Y CA -0.847 57.383 58.100 0.216 0.000 1.111 224 Y CB 2.054 40.677 38.460 0.272 0.000 1.194 224 Y HN 0.394 nan 8.280 nan 0.000 0.462 225 V N 4.917 125.045 119.914 0.356 0.000 2.495 225 V HA 0.474 4.594 4.120 -0.000 0.000 0.298 225 V C -0.894 175.243 176.094 0.071 0.000 1.031 225 V CA -0.925 61.431 62.300 0.093 0.000 0.871 225 V CB 0.882 32.781 31.823 0.126 0.000 0.988 225 V HN 0.742 nan 8.190 nan 0.000 0.432 226 Y N 1.964 122.178 120.300 -0.144 0.000 2.764 226 Y HA 0.755 5.305 4.550 -0.000 0.000 0.331 226 Y C -1.476 174.229 175.900 -0.325 0.000 1.280 226 Y CA -2.071 55.901 58.100 -0.214 0.000 1.065 226 Y CB 1.005 39.434 38.460 -0.052 0.000 1.319 226 Y HN 0.348 nan 8.280 nan 0.000 0.453 227 F N 1.062 121.132 119.950 0.200 0.000 2.411 227 F HA 0.639 5.166 4.527 -0.000 0.000 0.350 227 F C 0.638 176.565 175.800 0.211 0.000 1.114 227 F CA -0.032 58.026 58.000 0.098 0.000 1.135 227 F CB 1.836 40.880 39.000 0.074 0.000 1.120 227 F HN 0.717 nan 8.300 nan 0.000 0.495 228 T N 1.574 116.307 114.554 0.298 0.000 2.778 228 T HA 0.300 4.650 4.350 -0.000 0.000 0.293 228 T C -0.083 174.719 174.700 0.169 0.000 1.144 228 T CA -0.728 61.531 62.100 0.264 0.000 1.010 228 T CB 1.212 70.267 68.868 0.312 0.000 1.325 228 T HN 0.723 nan 8.240 nan 0.000 0.515 229 N N 0.280 119.062 118.700 0.136 0.000 2.143 229 N HA 0.135 4.875 4.740 -0.000 0.000 0.229 229 N C -0.230 175.333 175.510 0.089 0.000 1.294 229 N CA -0.421 52.688 53.050 0.097 0.000 0.883 229 N CB 0.640 39.173 38.487 0.076 0.000 1.148 229 N HN 0.474 nan 8.380 nan 0.000 0.511 230 S N 0.097 115.863 115.700 0.110 0.000 2.532 230 S HA 0.663 5.133 4.470 -0.000 0.000 0.301 230 S C -1.141 173.575 174.600 0.193 0.000 1.083 230 S CA -0.677 57.596 58.200 0.123 0.000 1.025 230 S CB 1.653 64.910 63.200 0.096 0.000 1.056 230 S HN 0.174 nan 8.310 nan 0.000 0.494 231 F N 3.650 123.604 119.950 0.007 0.000 2.610 231 F HA 0.569 5.096 4.527 -0.000 0.000 0.355 231 F C -0.589 175.296 175.800 0.142 0.000 1.140 231 F CA -1.968 56.043 58.000 0.018 0.000 1.037 231 F CB -0.066 38.940 39.000 0.010 0.000 1.287 231 F HN 0.826 nan 8.300 nan 0.000 0.457 232 F N 4.056 123.855 119.950 -0.252 0.000 3.043 232 F HA -0.133 4.394 4.527 -0.000 0.000 0.290 232 F C 1.391 177.098 175.800 -0.154 0.000 0.844 232 F CA 1.092 58.907 58.000 -0.309 0.000 1.184 232 F CB -1.014 37.651 39.000 -0.558 0.000 1.246 232 F HN 1.004 nan 8.300 nan 0.000 0.536 233 G N -0.196 108.628 108.800 0.040 0.000 2.148 233 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 233 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 233 G C 0.070 175.000 174.900 0.050 0.000 0.981 233 G CA 0.338 45.464 45.100 0.044 0.000 0.670 233 G HN 0.599 nan 8.290 nan 0.000 0.528 234 T N 1.001 115.597 114.554 0.070 0.000 2.779 234 T HA 0.578 4.928 4.350 -0.000 0.000 0.280 234 T C 0.359 175.110 174.700 0.086 0.000 0.987 234 T CA -0.512 61.628 62.100 0.067 0.000 0.966 234 T CB 1.657 70.564 68.868 0.065 0.000 0.933 234 T HN 0.220 nan 8.240 nan 0.000 0.442 235 I N 3.756 124.359 120.570 0.056 0.000 2.662 235 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 235 I C 0.401 176.540 176.117 0.037 0.000 1.161 235 I CA 0.120 61.448 61.300 0.047 0.000 1.415 235 I CB -0.075 37.943 38.000 0.031 0.000 1.385 235 I HN 0.525 nan 8.210 nan 0.000 0.552 236 I N 6.603 127.192 120.570 0.032 0.000 2.342 236 I HA 0.425 4.596 4.170 -0.000 0.000 0.291 236 I C 0.556 176.667 176.117 -0.010 0.000 1.010 236 I CA -0.350 60.943 61.300 -0.013 0.000 1.308 236 I CB 0.894 38.868 38.000 -0.044 0.000 1.400 236 I HN 0.642 nan 8.210 nan 0.000 0.488 237 A N 4.179 126.984 122.820 -0.025 0.000 2.294 237 A HA 0.721 5.041 4.320 -0.000 0.000 0.330 237 A C 0.826 178.401 177.584 -0.016 0.000 1.133 237 A CA 0.086 52.115 52.037 -0.013 0.000 0.836 237 A CB 0.934 19.927 19.000 -0.012 0.000 1.190 237 A HN 1.127 nan 8.150 nan 0.000 0.492 238 G N -1.017 107.782 108.800 -0.003 0.000 2.182 238 G HA2 0.056 4.016 3.960 -0.000 0.000 0.248 238 G HA3 0.056 4.016 3.960 -0.000 0.000 0.248 238 G C -0.209 174.697 174.900 0.010 0.000 1.042 238 G CA 0.217 45.318 45.100 0.002 0.000 0.775 238 G HN 1.647 nan 8.290 nan 0.000 0.501 239 V N -0.053 119.871 119.914 0.017 0.000 2.891 239 V HA 0.762 4.882 4.120 -0.000 0.000 0.304 239 V C 0.114 176.228 176.094 0.033 0.000 1.171 239 V CA -0.240 62.080 62.300 0.033 0.000 0.943 239 V CB 2.304 34.159 31.823 0.054 0.000 1.037 239 V HN 0.969 nan 8.190 nan 0.000 0.427 240 T N 0.617 115.186 114.554 0.026 0.000 2.779 240 T HA 0.722 5.072 4.350 -0.000 0.000 0.280 240 T C 0.399 175.092 174.700 -0.011 0.000 0.987 240 T CA 0.055 62.156 62.100 0.002 0.000 0.966 240 T CB 1.868 70.721 68.868 -0.024 0.000 0.933 240 T HN 1.031 nan 8.240 nan 0.000 0.442 241 A N 2.782 125.612 122.820 0.017 0.000 2.423 241 A HA 0.409 4.729 4.320 -0.000 0.000 0.246 241 A C 1.193 178.782 177.584 0.009 0.000 1.278 241 A CA -0.396 51.671 52.037 0.051 0.000 0.903 241 A CB -0.598 18.466 19.000 0.107 0.000 0.997 241 A HN 0.967 nan 8.150 nan 0.000 0.510 242 T N -1.682 112.851 114.554 -0.036 0.000 2.904 242 T HA 0.704 5.054 4.350 -0.000 0.000 0.290 242 T C -0.109 174.546 174.700 -0.075 0.000 1.018 242 T CA 0.066 62.143 62.100 -0.037 0.000 1.075 242 T CB 1.622 70.471 68.868 -0.032 0.000 0.986 242 T HN 1.196 nan 8.240 nan 0.000 0.523 243 A N 1.477 124.272 122.820 -0.042 0.000 2.597 243 A HA 0.696 5.016 4.320 -0.000 0.000 0.292 243 A C -0.354 177.221 177.584 -0.015 0.000 1.057 243 A CA -1.047 50.964 52.037 -0.043 0.000 0.674 243 A CB 1.225 20.209 19.000 -0.026 0.000 1.278 243 A HN 0.878 nan 8.150 nan 0.000 0.416 244 T N 0.806 115.353 114.554 -0.012 0.000 2.912 244 T HA 0.585 4.935 4.350 -0.000 0.000 0.288 244 T C 1.450 176.153 174.700 0.004 0.000 1.030 244 T CA 0.206 62.303 62.100 -0.004 0.000 1.020 244 T CB 1.729 70.592 68.868 -0.007 0.000 1.056 244 T HN 1.531 nan 8.240 nan 0.000 0.480 245 A N 1.235 124.058 122.820 0.004 0.000 2.024 245 A HA 0.076 4.396 4.320 -0.000 0.000 0.220 245 A C 2.305 179.894 177.584 0.008 0.000 1.164 245 A CA 1.825 53.866 52.037 0.008 0.000 0.643 245 A CB -0.911 18.092 19.000 0.004 0.000 0.806 245 A HN 0.915 nan 8.150 nan 0.000 0.451 246 A N -0.255 122.568 122.820 0.005 0.000 2.016 246 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 246 A C 0.566 178.153 177.584 0.006 0.000 1.162 246 A CA 0.523 52.562 52.037 0.004 0.000 0.662 246 A CB -0.428 18.572 19.000 0.001 0.000 0.812 246 A HN 0.456 nan 8.150 nan 0.000 0.450 247 D N 0.424 120.827 120.400 0.005 0.000 2.515 247 D HA 0.334 4.974 4.640 -0.000 0.000 0.232 247 D C 0.457 176.766 176.300 0.014 0.000 1.157 247 D CA 1.172 55.175 54.000 0.005 0.000 0.871 247 D CB 0.461 41.260 40.800 -0.001 0.000 1.200 247 D HN 0.432 nan 8.370 nan 0.000 0.466 248 A N 1.489 124.317 122.820 0.013 0.000 2.440 248 A HA 0.525 4.845 4.320 -0.000 0.000 0.251 248 A C 0.345 177.950 177.584 0.034 0.000 1.089 248 A CA -0.307 51.742 52.037 0.020 0.000 0.779 248 A CB 0.220 19.230 19.000 0.016 0.000 1.022 248 A HN 0.643 nan 8.150 nan 0.000 0.492 249 A N 2.604 125.446 122.820 0.037 0.000 2.540 249 A HA 0.466 4.786 4.320 -0.000 0.000 0.239 249 A C 0.618 178.241 177.584 0.066 0.000 1.061 249 A CA 0.584 52.652 52.037 0.052 0.000 0.758 249 A CB -0.313 18.708 19.000 0.036 0.000 0.991 249 A HN 0.843 nan 8.150 nan 0.000 0.502 250 T N 2.256 116.872 114.554 0.103 0.000 2.779 250 T HA 0.637 4.987 4.350 -0.000 0.000 0.280 250 T C 0.163 174.924 174.700 0.102 0.000 0.987 250 T CA 0.154 62.329 62.100 0.124 0.000 0.966 250 T CB 1.104 70.114 68.868 0.237 0.000 0.933 250 T HN 1.022 nan 8.240 nan 0.000 0.442 251 T N 0.550 115.157 114.554 0.088 0.000 2.896 251 T HA 0.849 5.199 4.350 -0.000 0.000 0.297 251 T C -0.929 173.848 174.700 0.128 0.000 1.108 251 T CA -1.014 61.124 62.100 0.063 0.000 1.004 251 T CB 1.509 70.360 68.868 -0.028 0.000 1.159 251 T HN 0.505 nan 8.240 nan 0.000 0.499 252 F N -0.721 119.189 119.950 -0.066 0.000 2.629 252 F HA 0.885 5.412 4.527 -0.000 0.000 0.316 252 F C -0.487 175.250 175.800 -0.106 0.000 1.081 252 F CA -0.900 57.062 58.000 -0.063 0.000 0.954 252 F CB 1.694 40.653 39.000 -0.068 0.000 1.337 252 F HN 0.925 nan 8.300 nan 0.000 0.474 253 T N -0.260 114.268 114.554 -0.043 0.000 2.916 253 T HA 0.808 5.158 4.350 -0.000 0.000 0.292 253 T C -1.502 173.188 174.700 -0.015 0.000 1.055 253 T CA -0.793 61.213 62.100 -0.155 0.000 1.009 253 T CB 1.616 70.435 68.868 -0.082 0.000 1.118 253 T HN 0.740 nan 8.240 nan 0.000 0.497 254 V N 3.329 123.203 119.914 -0.066 0.000 2.604 254 V HA 0.454 4.574 4.120 -0.000 0.000 0.305 254 V C -1.521 174.571 176.094 -0.003 0.000 1.043 254 V CA -2.190 60.116 62.300 0.009 0.000 0.888 254 V CB 2.185 34.037 31.823 0.047 0.000 0.995 254 V HN 0.844 nan 8.190 nan 0.000 0.429 255 P HA -0.123 nan 4.420 nan 0.000 0.234 255 P C 1.082 178.379 177.300 -0.004 0.000 1.162 255 P CA 1.428 64.526 63.100 -0.003 0.000 0.759 255 P CB 0.054 31.752 31.700 -0.004 0.000 0.813 256 T N -5.765 108.792 114.554 0.004 0.000 3.023 256 T HA 0.088 4.438 4.350 -0.000 0.000 0.249 256 T C 0.587 175.284 174.700 -0.005 0.000 1.050 256 T CA 0.042 62.144 62.100 0.003 0.000 1.088 256 T CB -0.032 68.847 68.868 0.018 0.000 0.946 256 T HN -0.123 nan 8.240 nan 0.000 0.480 257 D N 0.514 120.905 120.400 -0.014 0.000 2.308 257 D HA 0.637 5.277 4.640 -0.000 0.000 0.242 257 D C 0.865 177.135 176.300 -0.049 0.000 1.059 257 D CA -0.312 53.670 54.000 -0.031 0.000 0.830 257 D CB 2.067 42.843 40.800 -0.040 0.000 1.161 257 D HN 0.175 nan 8.370 nan 0.000 0.494 258 A N 4.180 126.975 122.820 -0.042 0.000 2.121 258 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 258 A C 0.934 178.482 177.584 -0.059 0.000 1.154 258 A CA 0.631 52.642 52.037 -0.043 0.000 0.679 258 A CB -0.107 18.874 19.000 -0.032 0.000 0.795 258 A HN 0.561 nan 8.150 nan 0.000 0.458 259 N N 0.778 119.434 118.700 -0.073 0.000 2.492 259 N HA 0.126 4.866 4.740 -0.000 0.000 0.289 259 N C -0.970 174.451 175.510 -0.148 0.000 1.133 259 N CA -0.443 52.552 53.050 -0.091 0.000 0.961 259 N CB 0.543 38.983 38.487 -0.077 0.000 1.186 259 N HN 0.282 nan 8.380 nan 0.000 0.493 260 N N 1.072 119.682 118.700 -0.149 0.000 2.530 260 N HA 0.164 4.904 4.740 -0.000 0.000 0.273 260 N C -0.668 174.664 175.510 -0.296 0.000 1.173 260 N CA -0.004 52.916 53.050 -0.218 0.000 0.967 260 N CB 1.018 39.420 38.487 -0.142 0.000 1.109 260 N HN 0.240 nan 8.380 nan 0.000 0.453 261 L N 4.564 125.461 121.223 -0.544 0.000 2.272 261 L HA 0.374 4.714 4.340 -0.000 0.000 0.289 261 L C -1.902 174.712 176.870 -0.426 0.000 1.032 261 L CA -1.691 52.775 54.840 -0.622 0.000 0.810 261 L CB 1.515 42.834 42.059 -1.235 0.000 1.205 261 L HN 0.328 nan 8.230 nan 0.000 0.422 262 P HA 0.084 nan 4.420 nan 0.000 0.269 262 P C -0.859 176.478 177.300 0.062 0.000 1.209 262 P CA -0.133 62.950 63.100 -0.028 0.000 0.776 262 P CB 1.511 33.212 31.700 0.001 0.000 0.876 263 V N 3.626 123.582 119.914 0.071 0.000 2.555 263 V HA 0.239 4.359 4.120 -0.000 0.000 0.302 263 V C 0.723 176.846 176.094 0.048 0.000 1.038 263 V CA -0.272 62.048 62.300 0.034 0.000 0.887 263 V CB 0.963 32.731 31.823 -0.092 0.000 0.991 263 V HN 0.687 nan 8.190 nan 0.000 0.434 264 Q N 1.503 121.338 119.800 0.060 0.000 2.506 264 Q HA -0.159 4.181 4.340 -0.000 0.000 0.268 264 Q C 0.173 176.220 176.000 0.079 0.000 1.002 264 Q CA 1.146 57.015 55.803 0.110 0.000 1.052 264 Q CB -1.413 27.430 28.738 0.175 0.000 1.383 264 Q HN 1.100 nan 8.270 nan 0.000 0.537 265 T N -2.836 111.769 114.554 0.085 0.000 2.925 265 T HA 0.455 4.805 4.350 -0.000 0.000 0.285 265 T C 0.283 175.020 174.700 0.062 0.000 1.021 265 T CA -0.604 61.535 62.100 0.065 0.000 1.042 265 T CB 1.354 70.267 68.868 0.075 0.000 1.037 265 T HN -0.016 nan 8.240 nan 0.000 0.481 266 D N 1.328 121.744 120.400 0.026 0.000 2.344 266 D HA 0.135 4.775 4.640 -0.000 0.000 0.242 266 D C 0.002 176.405 176.300 0.172 0.000 1.159 266 D CA 0.209 54.214 54.000 0.008 0.000 0.859 266 D CB -0.057 40.728 40.800 -0.025 0.000 0.925 266 D HN 0.390 nan 8.370 nan 0.000 0.510 267 S N 0.223 116.040 115.700 0.195 0.000 2.525 267 S HA 0.345 4.815 4.470 -0.000 0.000 0.278 267 S C 0.500 175.246 174.600 0.244 0.000 1.234 267 S CA -0.710 57.602 58.200 0.188 0.000 1.058 267 S CB 1.725 64.991 63.200 0.110 0.000 0.983 267 S HN 0.066 nan 8.310 nan 0.000 0.495 268 R N 2.591 123.180 120.500 0.148 0.000 2.210 268 R HA 0.335 4.675 4.340 -0.000 0.000 0.338 268 R C -0.495 175.825 176.300 0.032 0.000 1.062 268 R CA -0.181 55.929 56.100 0.016 0.000 0.902 268 R CB 0.122 30.376 30.300 -0.076 0.000 1.050 268 R HN 0.501 nan 8.270 nan 0.000 0.461 269 L N 1.202 122.468 121.223 0.072 0.000 2.416 269 L HA 0.444 4.784 4.340 -0.000 0.000 0.262 269 L C 0.194 177.109 176.870 0.075 0.000 1.093 269 L CA -0.574 54.350 54.840 0.141 0.000 0.801 269 L CB 1.450 43.703 42.059 0.324 0.000 1.191 269 L HN 0.517 nan 8.230 nan 0.000 0.459 270 S N 1.564 117.341 115.700 0.129 0.000 2.737 270 S HA 0.667 5.136 4.470 -0.000 0.000 0.269 270 S C -0.902 173.768 174.600 0.117 0.000 1.150 270 S CA -0.655 57.537 58.200 -0.012 0.000 1.077 270 S CB 0.927 64.108 63.200 -0.031 0.000 1.075 270 S HN 0.499 nan 8.310 nan 0.000 0.476 271 F N -0.505 119.411 119.950 -0.056 0.000 2.745 271 F HA 0.910 5.437 4.527 -0.000 0.000 0.316 271 F C -0.616 175.158 175.800 -0.042 0.000 1.155 271 F CA -1.120 56.858 58.000 -0.036 0.000 0.937 271 F CB 1.090 40.093 39.000 0.005 0.000 1.361 271 F HN 0.380 nan 8.300 nan 0.000 0.472 272 S N 0.801 116.613 115.700 0.186 0.000 2.594 272 S HA 0.503 4.973 4.470 -0.000 0.000 0.296 272 S C -0.456 174.238 174.600 0.155 0.000 1.124 272 S CA -0.838 57.396 58.200 0.056 0.000 1.011 272 S CB 1.257 64.457 63.200 0.000 0.000 1.016 272 S HN 0.880 nan 8.310 nan 0.000 0.485 273 L N 2.816 124.119 121.223 0.133 0.000 2.762 273 L HA 0.221 4.561 4.340 -0.000 0.000 0.250 273 L C 1.494 178.375 176.870 0.018 0.000 1.160 273 L CA -0.016 54.886 54.840 0.104 0.000 0.951 273 L CB -1.000 41.113 42.059 0.089 0.000 1.148 273 L HN 0.959 nan 8.230 nan 0.000 0.424 274 G N 0.057 108.870 108.800 0.022 0.000 3.316 274 G HA2 0.435 4.395 3.960 -0.000 0.000 0.255 274 G HA3 0.435 4.395 3.960 -0.000 0.000 0.255 274 G C 0.488 175.382 174.900 -0.009 0.000 0.880 274 G CA 0.460 45.557 45.100 -0.005 0.000 1.956 274 G HN 0.460 nan 8.290 nan 0.000 0.634 275 G N -0.193 108.595 108.800 -0.020 0.000 3.403 275 G HA2 0.492 4.452 3.960 -0.000 0.000 0.156 275 G HA3 0.492 4.452 3.960 -0.000 0.000 0.156 275 G C 0.611 175.490 174.900 -0.035 0.000 1.210 275 G CA 0.731 45.818 45.100 -0.021 0.000 1.452 275 G HN 0.612 nan 8.290 nan 0.000 0.720 276 G N 0.089 108.870 108.800 -0.032 0.000 2.754 276 G HA2 0.461 4.421 3.960 -0.000 0.000 0.210 276 G HA3 0.461 4.421 3.960 -0.000 0.000 0.210 276 G C -0.082 174.783 174.900 -0.058 0.000 2.092 276 G CA 0.018 45.093 45.100 -0.042 0.000 0.766 276 G HN 0.517 nan 8.290 nan 0.000 0.745 277 N N -0.042 118.636 118.700 -0.036 0.000 2.381 277 N HA 0.441 5.181 4.740 -0.000 0.000 0.294 277 N C -0.750 174.762 175.510 0.003 0.000 1.216 277 N CA -0.474 52.556 53.050 -0.033 0.000 0.803 277 N CB 2.541 41.021 38.487 -0.011 0.000 1.372 277 N HN 0.517 nan 8.380 nan 0.000 0.500 278 I N -1.543 119.034 120.570 0.011 0.000 2.385 278 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 278 I C -0.578 175.623 176.117 0.141 0.000 0.988 278 I CA -0.634 60.694 61.300 0.045 0.000 1.265 278 I CB 1.024 38.962 38.000 -0.102 0.000 1.388 278 I HN 0.208 nan 8.210 nan 0.000 0.480 279 N N 5.271 124.073 118.700 0.171 0.000 2.527 279 N HA 0.408 5.148 4.740 -0.000 0.000 0.236 279 N C -1.026 174.645 175.510 0.269 0.000 0.999 279 N CA -0.490 52.680 53.050 0.200 0.000 0.935 279 N CB 1.041 39.596 38.487 0.114 0.000 1.132 279 N HN 0.608 nan 8.380 nan 0.000 0.511 280 L N 1.975 123.417 121.223 0.365 0.000 2.326 280 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 280 L C -0.215 176.835 176.870 0.299 0.000 1.092 280 L CA 0.169 55.224 54.840 0.357 0.000 0.810 280 L CB 0.768 43.076 42.059 0.415 0.000 1.153 280 L HN 0.452 nan 8.230 nan 0.000 0.439 281 E N 5.173 125.499 120.200 0.209 0.000 2.346 281 E HA 0.168 4.518 4.350 -0.000 0.000 0.239 281 E C -1.191 175.482 176.600 0.120 0.000 0.943 281 E CA -0.862 55.631 56.400 0.155 0.000 0.751 281 E CB 1.398 31.156 29.700 0.097 0.000 1.241 281 E HN 0.437 nan 8.360 nan 0.000 0.423 282 L N 2.498 123.794 121.223 0.120 0.000 2.530 282 L HA 0.095 4.435 4.340 -0.000 0.000 0.273 282 L C 1.445 178.346 176.870 0.051 0.000 1.141 282 L CA 0.781 55.636 54.840 0.025 0.000 0.905 282 L CB 0.641 42.661 42.059 -0.065 0.000 1.202 282 L HN 0.633 nan 8.230 nan 0.000 0.473 283 G N 4.173 113.001 108.800 0.046 0.000 2.422 283 G HA2 0.022 3.982 3.960 -0.000 0.000 0.218 283 G HA3 0.022 3.982 3.960 -0.000 0.000 0.218 283 G C 0.322 175.231 174.900 0.016 0.000 1.140 283 G CA 0.410 45.532 45.100 0.036 0.000 0.775 283 G HN 0.409 nan 8.290 nan 0.000 0.545 284 V N 0.168 120.075 119.914 -0.012 0.000 2.735 284 V HA 0.699 4.819 4.120 -0.000 0.000 0.310 284 V C 0.194 176.265 176.094 -0.038 0.000 1.061 284 V CA -1.226 61.059 62.300 -0.025 0.000 0.913 284 V CB 1.629 33.424 31.823 -0.046 0.000 1.005 284 V HN 0.371 nan 8.190 nan 0.000 0.428 285 A N 4.386 127.202 122.820 -0.008 0.000 2.511 285 A HA 0.528 4.848 4.320 -0.000 0.000 0.242 285 A C 0.041 177.612 177.584 -0.023 0.000 1.069 285 A CA 0.236 52.278 52.037 0.008 0.000 0.763 285 A CB 0.033 19.052 19.000 0.031 0.000 1.001 285 A HN 0.819 nan 8.150 nan 0.000 0.498 286 K N 0.889 121.282 120.400 -0.012 0.000 2.435 286 K HA 0.441 4.761 4.320 -0.000 0.000 0.251 286 K C -0.577 176.044 176.600 0.036 0.000 0.954 286 K CA -0.595 55.680 56.287 -0.021 0.000 0.820 286 K CB 2.044 34.495 32.500 -0.081 0.000 1.292 286 K HN 0.567 nan 8.250 nan 0.000 0.436 287 T N 1.059 115.624 114.554 0.019 0.000 4.099 287 T HA 0.317 4.667 4.350 -0.000 0.000 0.223 287 T C 0.266 174.988 174.700 0.037 0.000 0.968 287 T CA -0.363 61.754 62.100 0.028 0.000 0.966 287 T CB -0.510 68.366 68.868 0.013 0.000 1.328 287 T HN 0.880 nan 8.240 nan 0.000 0.783 288 G N 2.134 110.976 108.800 0.069 0.000 3.338 288 G HA2 0.139 4.099 3.960 -0.000 0.000 0.686 288 G HA3 0.139 4.099 3.960 -0.000 0.000 0.686 288 G C -0.763 174.192 174.900 0.093 0.000 1.053 288 G CA -1.012 44.112 45.100 0.039 0.000 0.852 288 G HN 0.634 nan 8.290 nan 0.000 0.545 289 F N -0.222 119.730 119.950 0.004 0.000 2.620 289 F HA 0.882 5.409 4.527 -0.000 0.000 0.320 289 F C -0.113 175.720 175.800 0.054 0.000 1.069 289 F CA -1.663 56.352 58.000 0.025 0.000 0.953 289 F CB 1.801 40.814 39.000 0.022 0.000 1.322 289 F HN 0.884 nan 8.300 nan 0.000 0.479 290 C N 3.443 122.891 119.300 0.246 0.000 2.620 290 C HA 0.750 5.210 4.460 -0.000 0.000 0.356 290 C C -0.861 174.054 174.990 -0.125 0.000 1.082 290 C CA -0.428 58.577 59.018 -0.022 0.000 1.293 290 C CB 0.185 27.992 27.740 0.111 0.000 1.836 290 C HN 0.832 nan 8.230 nan 0.000 0.453 291 V N 5.106 124.640 119.914 -0.634 0.000 2.686 291 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 291 V C 0.733 176.306 176.094 -0.868 0.000 1.057 291 V CA 0.047 61.772 62.300 -0.958 0.000 1.012 291 V CB 1.512 32.372 31.823 -1.604 0.000 1.006 291 V HN 1.078 nan 8.190 nan 0.000 0.477 292 A N 5.384 127.770 122.820 -0.722 0.000 2.356 292 A HA 0.832 5.152 4.320 -0.000 0.000 0.310 292 A C -0.801 176.498 177.584 -0.475 0.000 1.075 292 A CA -0.520 51.148 52.037 -0.615 0.000 0.746 292 A CB 0.870 19.360 19.000 -0.851 0.000 1.221 292 A HN 0.745 nan 8.150 nan 0.000 0.443 293 I N 2.298 122.773 120.570 -0.159 0.000 2.371 293 I HA 0.285 4.455 4.170 -0.000 0.000 0.282 293 I C -0.023 176.195 176.117 0.168 0.000 1.031 293 I CA 0.033 61.372 61.300 0.066 0.000 1.180 293 I CB 1.264 39.415 38.000 0.252 0.000 1.336 293 I HN 0.778 nan 8.210 nan 0.000 0.467 294 E N 5.883 126.162 120.200 0.131 0.000 2.141 294 E HA 0.662 5.012 4.350 -0.000 0.000 0.259 294 E C -0.425 176.282 176.600 0.178 0.000 0.883 294 E CA -0.351 56.189 56.400 0.232 0.000 0.744 294 E CB 1.451 31.306 29.700 0.259 0.000 1.150 294 E HN 0.807 nan 8.360 nan 0.000 0.420 295 G N 3.237 112.159 108.800 0.203 0.000 2.588 295 G HA2 0.115 4.075 3.960 -0.000 0.000 0.281 295 G HA3 0.115 4.075 3.960 -0.000 0.000 0.281 295 G C -1.276 173.689 174.900 0.109 0.000 1.223 295 G CA -0.706 44.403 45.100 0.015 0.000 0.871 295 G HN 0.398 nan 8.290 nan 0.000 0.492 296 E N -0.151 120.026 120.200 -0.038 0.000 2.167 296 E HA 0.602 4.952 4.350 -0.000 0.000 0.284 296 E C -1.269 175.322 176.600 -0.015 0.000 1.016 296 E CA -0.283 56.146 56.400 0.049 0.000 0.817 296 E CB 0.527 30.219 29.700 -0.013 0.000 1.080 296 E HN 0.169 nan 8.360 nan 0.000 0.397 297 F N 1.982 121.910 119.950 -0.036 0.000 2.421 297 F HA 0.486 5.013 4.527 -0.000 0.000 0.337 297 F C 0.803 176.593 175.800 -0.017 0.000 1.105 297 F CA -0.505 57.473 58.000 -0.036 0.000 1.049 297 F CB 1.934 40.928 39.000 -0.009 0.000 1.139 297 F HN 0.293 nan 8.300 nan 0.000 0.479 298 T N 2.507 117.135 114.554 0.123 0.000 2.883 298 T HA 0.705 5.055 4.350 -0.000 0.000 0.296 298 T C -0.905 173.844 174.700 0.082 0.000 1.117 298 T CA -0.723 61.431 62.100 0.091 0.000 1.006 298 T CB 1.092 69.991 68.868 0.053 0.000 1.191 298 T HN 0.396 nan 8.240 nan 0.000 0.508 299 I N 3.217 123.837 120.570 0.084 0.000 2.315 299 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 299 I C 0.438 176.594 176.117 0.066 0.000 1.006 299 I CA -0.960 60.384 61.300 0.073 0.000 1.265 299 I CB 1.232 39.278 38.000 0.077 0.000 1.387 299 I HN 0.591 nan 8.210 nan 0.000 0.475 300 L N 5.421 126.661 121.223 0.027 0.000 2.554 300 L HA -0.036 4.304 4.340 -0.000 0.000 0.293 300 L C 1.061 177.919 176.870 -0.019 0.000 1.252 300 L CA -0.105 54.722 54.840 -0.021 0.000 0.862 300 L CB 0.069 42.111 42.059 -0.029 0.000 1.113 300 L HN 0.703 nan 8.230 nan 0.000 0.510 301 A N 3.689 126.410 122.820 -0.165 0.000 2.565 301 A HA 0.022 4.342 4.320 -0.000 0.000 0.237 301 A C 0.910 178.492 177.584 -0.004 0.000 1.053 301 A CA -0.000 51.902 52.037 -0.224 0.000 0.755 301 A CB -0.223 18.198 19.000 -0.965 0.000 0.980 301 A HN 0.992 nan 8.150 nan 0.000 0.506 302 N N 0.778 119.578 118.700 0.167 0.000 2.725 302 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 302 N C 0.251 175.812 175.510 0.085 0.000 1.103 302 N CA 1.215 54.343 53.050 0.129 0.000 0.707 302 N CB -0.540 38.004 38.487 0.096 0.000 1.043 302 N HN 0.756 nan 8.380 nan 0.000 0.553 303 R N -0.775 119.781 120.500 0.093 0.000 2.531 303 R HA 0.167 4.507 4.340 -0.000 0.000 0.316 303 R C 1.602 177.969 176.300 0.113 0.000 0.955 303 R CA 0.708 56.856 56.100 0.080 0.000 1.120 303 R CB -0.041 30.291 30.300 0.053 0.000 1.361 303 R HN 0.372 nan 8.270 nan 0.000 0.534 304 S N 0.814 116.604 115.700 0.151 0.000 2.440 304 S HA -0.193 4.277 4.470 -0.000 0.000 0.238 304 S C 1.596 176.330 174.600 0.223 0.000 1.010 304 S CA 0.951 59.277 58.200 0.210 0.000 0.972 304 S CB -0.051 63.324 63.200 0.292 0.000 0.774 304 S HN 0.118 nan 8.310 nan 0.000 0.501 305 Q N 1.778 121.674 119.800 0.160 0.000 2.234 305 Q HA 0.100 4.440 4.340 -0.000 0.000 0.206 305 Q C 2.369 178.437 176.000 0.113 0.000 0.980 305 Q CA 1.565 57.441 55.803 0.123 0.000 0.869 305 Q CB -0.939 27.846 28.738 0.079 0.000 0.912 305 Q HN 0.765 nan 8.270 nan 0.000 0.436 306 A N -0.621 122.270 122.820 0.119 0.000 1.873 306 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 306 A C 1.933 179.609 177.584 0.153 0.000 1.186 306 A CA 1.368 53.474 52.037 0.116 0.000 0.616 306 A CB -0.895 18.172 19.000 0.110 0.000 0.823 306 A HN 0.463 nan 8.150 nan 0.000 0.442 307 Y N -0.628 119.674 120.300 0.003 0.000 2.089 307 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 307 Y C 2.175 178.098 175.900 0.039 0.000 1.139 307 Y CA 1.771 59.843 58.100 -0.047 0.000 1.123 307 Y CB -0.808 37.506 38.460 -0.243 0.000 0.980 307 Y HN 0.398 nan 8.280 nan 0.000 0.493 308 Y N -0.999 119.273 120.300 -0.048 0.000 2.373 308 Y HA -0.109 4.441 4.550 -0.000 0.000 0.293 308 Y C 2.172 177.874 175.900 -0.330 0.000 1.129 308 Y CA 1.248 59.087 58.100 -0.435 0.000 1.226 308 Y CB -0.220 37.993 38.460 -0.412 0.000 1.000 308 Y HN 0.007 nan 8.280 nan 0.000 0.549 309 T N 0.740 115.303 114.554 0.015 0.000 3.129 309 T HA 0.115 4.465 4.350 -0.000 0.000 0.251 309 T C 0.668 175.385 174.700 0.029 0.000 1.117 309 T CA 0.082 62.188 62.100 0.010 0.000 1.034 309 T CB -0.373 68.515 68.868 0.033 0.000 0.968 309 T HN 0.264 nan 8.240 nan 0.000 0.526 310 L N 1.149 122.403 121.223 0.052 0.000 3.717 310 L HA -0.251 4.089 4.340 -0.000 0.000 0.414 310 L C 1.149 178.047 176.870 0.047 0.000 1.228 310 L CA -0.171 54.709 54.840 0.067 0.000 0.918 310 L CB -1.639 40.461 42.059 0.068 0.000 1.865 310 L HN 0.233 nan 8.230 nan 0.000 0.922 311 N N -0.164 118.568 118.700 0.053 0.000 2.409 311 N HA -0.009 4.731 4.740 -0.000 0.000 0.174 311 N C 1.532 177.070 175.510 0.047 0.000 1.037 311 N CA 0.924 54.001 53.050 0.044 0.000 0.898 311 N CB 0.256 38.771 38.487 0.047 0.000 1.010 311 N HN 0.527 nan 8.380 nan 0.000 0.445 312 S N -0.360 115.379 115.700 0.066 0.000 2.851 312 S HA 0.187 4.657 4.470 -0.000 0.000 0.227 312 S C 0.374 175.001 174.600 0.044 0.000 0.958 312 S CA -0.101 58.143 58.200 0.073 0.000 0.990 312 S CB -0.707 62.569 63.200 0.127 0.000 0.790 312 S HN 0.143 nan 8.310 nan 0.000 0.509 313 I N 1.356 121.941 120.570 0.025 0.000 2.509 313 I HA 0.376 4.546 4.170 -0.000 0.000 0.293 313 I C 0.580 176.698 176.117 0.001 0.000 1.020 313 I CA -0.591 60.710 61.300 0.001 0.000 1.088 313 I CB 2.421 40.419 38.000 -0.004 0.000 1.267 313 I HN 0.256 nan 8.210 nan 0.000 0.430 314 T N -0.217 114.334 114.554 -0.006 0.000 3.123 314 T HA 0.173 4.523 4.350 -0.000 0.000 0.266 314 T C 0.480 175.176 174.700 -0.006 0.000 0.873 314 T CA -0.374 61.724 62.100 -0.003 0.000 0.854 314 T CB 0.337 69.206 68.868 0.001 0.000 1.254 314 T HN 0.351 nan 8.240 nan 0.000 0.570 315 Q N 1.749 121.543 119.800 -0.010 0.000 2.199 315 Q HA 0.705 5.045 4.340 -0.000 0.000 0.232 315 Q C -0.815 175.178 176.000 -0.012 0.000 0.969 315 Q CA 0.145 55.944 55.803 -0.007 0.000 0.925 315 Q CB 1.405 30.141 28.738 -0.004 0.000 1.198 315 Q HN 0.304 nan 8.270 nan 0.000 0.494 316 T N 1.959 116.508 114.554 -0.009 0.000 3.395 316 T HA 0.330 4.680 4.350 -0.000 0.000 0.330 316 T C -2.210 172.483 174.700 -0.011 0.000 1.076 316 T CA -0.890 61.202 62.100 -0.013 0.000 1.070 316 T CB 1.484 70.342 68.868 -0.016 0.000 1.119 316 T HN 0.476 nan 8.240 nan 0.000 0.462 317 P HA 0.522 nan 4.420 nan 0.000 0.275 317 P C -0.444 176.849 177.300 -0.011 0.000 1.270 317 P CA -0.178 62.913 63.100 -0.016 0.000 0.791 317 P CB 0.734 32.425 31.700 -0.016 0.000 1.089 318 T N -2.049 112.495 114.554 -0.015 0.000 2.841 318 T HA 0.435 4.785 4.350 -0.000 0.000 0.296 318 T C -0.877 173.818 174.700 -0.008 0.000 1.166 318 T CA -0.529 61.559 62.100 -0.020 0.000 1.007 318 T CB 0.931 69.774 68.868 -0.042 0.000 1.253 318 T HN 0.343 nan 8.240 nan 0.000 0.511 319 S N 1.424 117.124 115.700 -0.001 0.000 2.525 319 S HA 0.807 5.277 4.470 -0.000 0.000 0.290 319 S C -0.809 173.789 174.600 -0.004 0.000 1.152 319 S CA -0.672 57.553 58.200 0.042 0.000 1.072 319 S CB 0.685 63.995 63.200 0.182 0.000 1.027 319 S HN 0.670 nan 8.310 nan 0.000 0.500 320 I N 2.340 122.909 120.570 -0.003 0.000 2.841 320 I HA 0.320 4.490 4.170 -0.000 0.000 0.298 320 I C -0.884 175.211 176.117 -0.037 0.000 1.304 320 I CA -0.727 60.548 61.300 -0.042 0.000 1.019 320 I CB 1.771 39.740 38.000 -0.051 0.000 1.282 320 I HN 0.751 nan 8.210 nan 0.000 0.432 321 D N 4.564 124.908 120.400 -0.093 0.000 2.312 321 D HA 0.114 4.754 4.640 -0.000 0.000 0.290 321 D C -0.288 175.978 176.300 -0.057 0.000 1.170 321 D CA 0.270 54.233 54.000 -0.061 0.000 1.085 321 D CB 0.324 41.092 40.800 -0.053 0.000 1.154 321 D HN 0.628 nan 8.370 nan 0.000 0.535 322 D N -2.712 117.672 120.400 -0.027 0.000 2.651 322 D HA 0.056 4.696 4.640 -0.000 0.000 0.280 322 D C -0.057 176.405 176.300 0.269 0.000 1.496 322 D CA -0.697 53.431 54.000 0.213 0.000 0.792 322 D CB -1.338 39.696 40.800 0.391 0.000 1.144 322 D HN 0.412 nan 8.370 nan 0.000 0.470 323 F N 1.525 121.616 119.950 0.236 0.000 3.093 323 F HA -0.312 4.215 4.527 -0.000 0.000 0.283 323 F C 0.254 176.283 175.800 0.381 0.000 0.848 323 F CA 1.045 59.181 58.000 0.228 0.000 1.059 323 F CB -1.707 37.199 39.000 -0.157 0.000 1.191 323 F HN 0.076 nan 8.300 nan 0.000 0.514 324 D N -2.460 118.203 120.400 0.438 0.000 3.028 324 D HA -0.218 4.422 4.640 -0.000 0.000 0.207 324 D C 1.384 177.942 176.300 0.429 0.000 1.100 324 D CA 1.065 55.318 54.000 0.421 0.000 0.995 324 D CB -1.511 39.575 40.800 0.476 0.000 1.108 324 D HN 0.450 nan 8.370 nan 0.000 0.421 325 V N -0.458 119.663 119.914 0.344 0.000 2.282 325 V HA -0.346 3.774 4.120 -0.000 0.000 0.249 325 V C 2.652 178.898 176.094 0.253 0.000 1.057 325 V CA 2.742 65.120 62.300 0.129 0.000 1.032 325 V CB -1.410 30.291 31.823 -0.204 0.000 0.645 325 V HN 0.378 nan 8.190 nan 0.000 0.447 326 S N 0.629 116.469 115.700 0.233 0.000 2.413 326 S HA -0.357 4.113 4.470 -0.000 0.000 0.237 326 S C 1.542 176.266 174.600 0.207 0.000 1.044 326 S CA 2.106 60.432 58.200 0.210 0.000 1.024 326 S CB -0.994 62.324 63.200 0.197 0.000 0.829 326 S HN 0.677 nan 8.310 nan 0.000 0.475 327 D N 0.443 121.012 120.400 0.282 0.000 2.234 327 D HA 0.130 4.770 4.640 -0.000 0.000 0.205 327 D C 1.232 177.584 176.300 0.087 0.000 0.962 327 D CA 0.679 54.784 54.000 0.176 0.000 0.855 327 D CB -0.291 40.609 40.800 0.166 0.000 0.951 327 D HN 0.516 nan 8.370 nan 0.000 0.500 328 F N 0.128 120.120 119.950 0.069 0.000 2.446 328 F HA 0.187 4.714 4.527 -0.000 0.000 0.292 328 F C 2.140 177.973 175.800 0.055 0.000 1.096 328 F CA 0.114 58.147 58.000 0.055 0.000 1.438 328 F CB -0.478 38.553 39.000 0.051 0.000 1.107 328 F HN -0.124 nan 8.300 nan 0.000 0.546 329 L N -0.375 121.003 121.223 0.258 0.000 2.353 329 L HA -0.181 4.159 4.340 -0.000 0.000 0.220 329 L C 2.169 179.110 176.870 0.119 0.000 1.133 329 L CA 0.943 55.911 54.840 0.212 0.000 0.798 329 L CB -1.167 40.994 42.059 0.171 0.000 0.922 329 L HN 0.176 nan 8.230 nan 0.000 0.445 330 T N -0.474 114.109 114.554 0.047 0.000 2.565 330 T HA -0.302 4.048 4.350 -0.000 0.000 0.265 330 T C 1.941 176.627 174.700 -0.024 0.000 1.082 330 T CA 2.478 64.562 62.100 -0.028 0.000 1.173 330 T CB -0.760 68.084 68.868 -0.040 0.000 0.864 330 T HN 0.612 nan 8.240 nan 0.000 0.425 331 T N 1.497 116.056 114.554 0.009 0.000 2.544 331 T HA -0.241 4.109 4.350 -0.000 0.000 0.264 331 T C 1.675 176.401 174.700 0.044 0.000 1.096 331 T CA 1.718 63.824 62.100 0.009 0.000 1.181 331 T CB -1.232 67.639 68.868 0.004 0.000 0.864 331 T HN 0.257 nan 8.240 nan 0.000 0.415 332 F N 2.314 122.244 119.950 -0.034 0.000 2.147 332 F HA -0.038 4.489 4.527 -0.000 0.000 0.301 332 F C 2.069 177.863 175.800 -0.010 0.000 1.084 332 F CA 0.848 58.840 58.000 -0.013 0.000 1.268 332 F CB -0.647 38.370 39.000 0.028 0.000 1.009 332 F HN 0.123 nan 8.300 nan 0.000 0.486 333 L N -1.131 119.990 121.223 -0.170 0.000 2.056 333 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 333 L C 2.586 179.259 176.870 -0.328 0.000 1.078 333 L CA 1.351 55.996 54.840 -0.325 0.000 0.749 333 L CB -0.861 40.986 42.059 -0.353 0.000 0.901 333 L HN 0.008 nan 8.230 nan 0.000 0.433 334 S N -0.910 114.658 115.700 -0.221 0.000 2.382 334 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 334 S C 1.970 176.475 174.600 -0.157 0.000 1.027 334 S CA 1.014 59.106 58.200 -0.179 0.000 0.991 334 S CB -0.088 63.044 63.200 -0.114 0.000 0.823 334 S HN 0.389 nan 8.310 nan 0.000 0.469 335 Q N 0.888 120.599 119.800 -0.149 0.000 2.020 335 Q HA 0.071 4.411 4.340 -0.000 0.000 0.198 335 Q C 2.327 178.251 176.000 -0.127 0.000 0.974 335 Q CA 0.936 56.682 55.803 -0.096 0.000 0.829 335 Q CB -0.733 28.003 28.738 -0.003 0.000 0.894 335 Q HN 0.487 nan 8.270 nan 0.000 0.433 336 L N 0.474 121.530 121.223 -0.278 0.000 2.129 336 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 336 L C 2.503 179.339 176.870 -0.056 0.000 1.087 336 L CA 1.338 56.068 54.840 -0.184 0.000 0.757 336 L CB -0.335 41.521 42.059 -0.338 0.000 0.896 336 L HN 0.196 nan 8.230 nan 0.000 0.434 337 R N -0.505 119.909 120.500 -0.144 0.000 2.161 337 R HA 0.023 4.363 4.340 -0.000 0.000 0.213 337 R C 2.366 178.624 176.300 -0.069 0.000 1.055 337 R CA 0.888 56.916 56.100 -0.120 0.000 0.996 337 R CB -0.275 29.877 30.300 -0.246 0.000 0.901 337 R HN 0.296 nan 8.270 nan 0.000 0.456 338 A N 1.111 123.884 122.820 -0.078 0.000 2.015 338 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 338 A C 1.902 179.459 177.584 -0.046 0.000 1.163 338 A CA 1.286 53.288 52.037 -0.059 0.000 0.646 338 A CB -0.342 18.622 19.000 -0.061 0.000 0.806 338 A HN 0.613 nan 8.150 nan 0.000 0.448 339 C N -3.182 116.093 119.300 -0.041 0.000 2.969 339 C HA 0.607 5.067 4.460 -0.000 0.000 0.260 339 C C 1.171 176.165 174.990 0.008 0.000 1.618 339 C CA -0.619 58.374 59.018 -0.042 0.000 1.774 339 C CB -1.039 26.631 27.740 -0.117 0.000 3.063 339 C HN 1.600 nan 8.230 nan 0.000 0.506 340 G N 2.064 110.886 108.800 0.037 0.000 2.325 340 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.274 340 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.274 340 G C 0.356 175.325 174.900 0.114 0.000 0.921 340 G CA 0.829 45.976 45.100 0.078 0.000 1.340 340 G HN 0.709 nan 8.290 nan 0.000 0.447 341 Q N -0.789 119.110 119.800 0.165 0.000 1.988 341 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 341 Q C 1.509 177.664 176.000 0.259 0.000 0.760 341 Q CA -0.072 55.856 55.803 0.207 0.000 0.940 341 Q CB -0.066 28.841 28.738 0.281 0.000 1.214 341 Q HN 0.673 nan 8.270 nan 0.000 0.432 342 Y N 2.829 123.190 120.300 0.102 0.000 2.151 342 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 342 Y C 1.547 177.573 175.900 0.210 0.000 1.166 342 Y CA 2.375 60.560 58.100 0.142 0.000 1.163 342 Y CB 0.317 38.827 38.460 0.084 0.000 0.974 342 Y HN 0.030 nan 8.280 nan 0.000 0.511 343 E N 0.254 120.498 120.200 0.073 0.000 2.006 343 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 343 E C 2.128 178.730 176.600 0.002 0.000 0.993 343 E CA 1.822 58.197 56.400 -0.042 0.000 0.808 343 E CB -0.727 28.985 29.700 0.020 0.000 0.764 343 E HN 0.446 nan 8.360 nan 0.000 0.449 344 I N 0.447 121.050 120.570 0.056 0.000 2.113 344 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 344 I C 2.161 178.289 176.117 0.017 0.000 1.064 344 I CA 1.253 62.575 61.300 0.038 0.000 1.320 344 I CB -0.555 37.487 38.000 0.071 0.000 1.028 344 I HN 0.059 nan 8.210 nan 0.000 0.406 345 F N 0.722 120.641 119.950 -0.051 0.000 2.120 345 F HA -0.307 4.220 4.527 -0.000 0.000 0.300 345 F C 2.843 178.511 175.800 -0.219 0.000 1.095 345 F CA 1.876 59.799 58.000 -0.129 0.000 1.249 345 F CB -0.589 38.365 39.000 -0.077 0.000 0.995 345 F HN 0.091 nan 8.300 nan 0.000 0.480 346 S N 0.085 115.772 115.700 -0.023 0.000 2.378 346 S HA -0.272 4.198 4.470 -0.000 0.000 0.221 346 S C 1.988 176.477 174.600 -0.185 0.000 1.037 346 S CA 1.927 60.104 58.200 -0.039 0.000 1.069 346 S CB -0.846 62.386 63.200 0.052 0.000 1.006 346 S HN 0.495 nan 8.310 nan 0.000 0.423 347 D N 1.132 121.454 120.400 -0.129 0.000 2.220 347 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 347 D C 2.030 178.202 176.300 -0.213 0.000 1.001 347 D CA 1.428 55.348 54.000 -0.134 0.000 0.875 347 D CB -0.423 40.322 40.800 -0.092 0.000 0.921 347 D HN 0.540 nan 8.370 nan 0.000 0.454 348 A N 0.339 122.965 122.820 -0.323 0.000 1.968 348 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 348 A C 2.197 179.482 177.584 -0.498 0.000 1.169 348 A CA 0.782 52.575 52.037 -0.408 0.000 0.638 348 A CB -0.163 18.536 19.000 -0.501 0.000 0.812 348 A HN 0.079 nan 8.150 nan 0.000 0.446 349 M N -0.253 118.973 119.600 -0.623 0.000 2.156 349 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 349 M C 1.405 177.524 176.300 -0.301 0.000 1.067 349 M CA 1.404 56.368 55.300 -0.560 0.000 1.131 349 M CB -1.349 30.813 32.600 -0.729 0.000 1.368 349 M HN 0.312 nan 8.290 nan 0.000 0.416 350 D N 0.303 120.567 120.400 -0.226 0.000 2.133 350 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 350 D C 1.984 178.199 176.300 -0.142 0.000 0.997 350 D CA 1.327 55.231 54.000 -0.160 0.000 0.840 350 D CB -0.224 40.518 40.800 -0.097 0.000 0.947 350 D HN 0.271 nan 8.370 nan 0.000 0.452 351 Q N -0.198 119.501 119.800 -0.168 0.000 2.050 351 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 351 Q C 1.961 177.859 176.000 -0.170 0.000 0.980 351 Q CA 0.785 56.495 55.803 -0.154 0.000 0.840 351 Q CB -0.399 28.232 28.738 -0.178 0.000 0.898 351 Q HN 0.219 nan 8.270 nan 0.000 0.424 352 L N 0.059 121.144 121.223 -0.230 0.000 1.970 352 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 352 L C 1.871 178.640 176.870 -0.167 0.000 1.071 352 L CA 2.568 57.266 54.840 -0.236 0.000 0.751 352 L CB -1.523 40.356 42.059 -0.299 0.000 0.889 352 L HN 0.329 nan 8.230 nan 0.000 0.432 353 T N 0.798 115.262 114.554 -0.149 0.000 2.580 353 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 353 T C 1.757 176.436 174.700 -0.035 0.000 1.063 353 T CA 1.947 63.989 62.100 -0.097 0.000 1.170 353 T CB -0.406 68.358 68.868 -0.174 0.000 0.863 353 T HN 0.451 nan 8.240 nan 0.000 0.418 354 N N 0.444 119.136 118.700 -0.013 0.000 2.037 354 N HA -0.149 4.591 4.740 -0.000 0.000 0.196 354 N C 2.174 177.674 175.510 -0.018 0.000 1.034 354 N CA 1.503 54.568 53.050 0.025 0.000 0.861 354 N CB -0.321 38.177 38.487 0.018 0.000 1.039 354 N HN 0.219 nan 8.380 nan 0.000 0.427 355 S N 0.718 116.381 115.700 -0.062 0.000 2.400 355 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 355 S C 1.834 176.383 174.600 -0.086 0.000 1.025 355 S CA 0.631 58.783 58.200 -0.080 0.000 0.993 355 S CB -0.185 62.947 63.200 -0.114 0.000 0.808 355 S HN 0.214 nan 8.310 nan 0.000 0.478 356 L N 1.716 122.885 121.223 -0.090 0.000 1.988 356 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 356 L C 1.983 178.848 176.870 -0.008 0.000 1.071 356 L CA 1.745 56.523 54.840 -0.103 0.000 0.744 356 L CB -0.795 41.191 42.059 -0.122 0.000 0.893 356 L HN 0.340 nan 8.230 nan 0.000 0.433 357 I N -0.686 119.904 120.570 0.034 0.000 2.145 357 I HA -0.403 3.767 4.170 -0.000 0.000 0.244 357 I C 2.315 178.470 176.117 0.063 0.000 1.075 357 I CA 1.926 63.274 61.300 0.079 0.000 1.332 357 I CB -0.922 37.121 38.000 0.072 0.000 1.033 357 I HN 0.352 nan 8.210 nan 0.000 0.410 358 T N 1.092 115.655 114.554 0.016 0.000 2.624 358 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 358 T C 1.654 176.344 174.700 -0.016 0.000 1.041 358 T CA 1.970 64.068 62.100 -0.004 0.000 1.159 358 T CB -0.424 68.429 68.868 -0.025 0.000 0.863 358 T HN 0.350 nan 8.240 nan 0.000 0.434 359 N N 0.336 119.000 118.700 -0.059 0.000 2.289 359 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 359 N C 1.121 176.538 175.510 -0.154 0.000 1.016 359 N CA 0.938 53.913 53.050 -0.124 0.000 0.872 359 N CB -0.432 37.933 38.487 -0.203 0.000 0.973 359 N HN 0.542 nan 8.380 nan 0.000 0.433 360 Y N 0.040 120.317 120.300 -0.039 0.000 2.465 360 Y HA 0.232 4.782 4.550 -0.000 0.000 0.311 360 Y C 0.416 176.308 175.900 -0.014 0.000 1.204 360 Y CA 0.071 58.157 58.100 -0.023 0.000 1.272 360 Y CB 0.037 38.472 38.460 -0.041 0.000 1.083 360 Y HN -0.146 nan 8.280 nan 0.000 0.508 361 M N 0.396 120.048 119.600 0.086 0.000 2.206 361 M HA 0.149 4.629 4.480 -0.000 0.000 0.272 361 M C -1.715 174.601 176.300 0.027 0.000 1.012 361 M CA -0.670 54.666 55.300 0.060 0.000 0.986 361 M CB 1.730 34.357 32.600 0.046 0.000 1.740 361 M HN -0.091 nan 8.290 nan 0.000 0.472 362 D N 5.131 125.547 120.400 0.027 0.000 2.249 362 D HA 0.556 5.196 4.640 -0.000 0.000 0.246 362 D C -2.326 173.981 176.300 0.011 0.000 1.114 362 D CA -1.002 53.006 54.000 0.014 0.000 0.854 362 D CB 1.249 42.059 40.800 0.017 0.000 1.132 362 D HN 0.229 nan 8.370 nan 0.000 0.461 363 P HA 0.360 nan 4.420 nan 0.000 0.282 363 P C -2.568 174.731 177.300 -0.002 0.000 1.249 363 P CA -1.597 61.503 63.100 0.001 0.000 0.806 363 P CB 0.421 32.120 31.700 -0.002 0.000 0.984 364 P HA 0.163 nan 4.420 nan 0.000 0.225 364 P C -0.945 176.347 177.300 -0.013 0.000 1.054 364 P CA 1.206 64.298 63.100 -0.013 0.000 1.244 364 P CB -0.659 31.030 31.700 -0.019 0.000 1.310 365 A N 3.209 126.023 122.820 -0.010 0.000 2.583 365 A HA 0.385 4.705 4.320 -0.000 0.000 0.298 365 A C -0.483 177.095 177.584 -0.010 0.000 1.055 365 A CA -0.750 51.280 52.037 -0.012 0.000 0.714 365 A CB 0.606 19.599 19.000 -0.012 0.000 1.277 365 A HN 0.205 nan 8.150 nan 0.000 0.406 366 I N 3.195 123.758 120.570 -0.012 0.000 2.845 366 I HA 0.143 4.313 4.170 -0.000 0.000 0.296 366 I C -1.428 174.677 176.117 -0.021 0.000 1.216 366 I CA -0.520 60.773 61.300 -0.013 0.000 1.438 366 I CB 0.278 38.270 38.000 -0.013 0.000 1.342 366 I HN 0.489 nan 8.210 nan 0.000 0.577 367 P HA 0.210 nan 4.420 nan 0.000 0.275 367 P C -0.649 176.622 177.300 -0.048 0.000 1.227 367 P CA -0.457 62.622 63.100 -0.035 0.000 0.781 367 P CB 1.016 32.692 31.700 -0.040 0.000 0.906 368 A N 1.934 124.729 122.820 -0.043 0.000 2.445 368 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 368 A C 1.414 178.960 177.584 -0.062 0.000 1.075 368 A CA 0.516 52.525 52.037 -0.046 0.000 0.777 368 A CB -1.053 17.925 19.000 -0.036 0.000 1.013 368 A HN 0.928 nan 8.150 nan 0.000 0.493 369 G N -0.487 108.272 108.800 -0.068 0.000 2.159 369 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.256 369 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.256 369 G C -0.041 174.784 174.900 -0.125 0.000 0.977 369 G CA 0.412 45.462 45.100 -0.083 0.000 0.652 369 G HN 1.581 nan 8.290 nan 0.000 0.531 370 L N 0.964 122.099 121.223 -0.147 0.000 2.260 370 L HA 0.813 5.153 4.340 -0.000 0.000 0.289 370 L C 0.170 176.879 176.870 -0.268 0.000 1.057 370 L CA -0.097 54.594 54.840 -0.249 0.000 0.811 370 L CB 0.998 42.910 42.059 -0.245 0.000 1.184 370 L HN 1.045 nan 8.230 nan 0.000 0.429 371 A N 5.146 127.759 122.820 -0.344 0.000 2.466 371 A HA 0.580 4.900 4.320 -0.000 0.000 0.284 371 A C -1.092 176.314 177.584 -0.297 0.000 1.049 371 A CA -0.481 51.414 52.037 -0.236 0.000 0.760 371 A CB 0.227 19.159 19.000 -0.114 0.000 1.274 371 A HN 0.511 nan 8.150 nan 0.000 0.412 372 F N 0.948 120.870 119.950 -0.047 0.000 2.410 372 F HA 0.366 4.893 4.527 -0.000 0.000 0.334 372 F C 1.670 177.437 175.800 -0.055 0.000 1.134 372 F CA 0.708 58.674 58.000 -0.057 0.000 1.227 372 F CB 1.380 40.345 39.000 -0.059 0.000 1.194 372 F HN 0.551 nan 8.300 nan 0.000 0.571 373 T N -0.809 113.822 114.554 0.129 0.000 3.023 373 T HA 0.096 4.446 4.350 -0.000 0.000 0.253 373 T C 0.018 174.734 174.700 0.025 0.000 1.038 373 T CA 0.213 62.340 62.100 0.046 0.000 0.962 373 T CB -0.057 68.816 68.868 0.009 0.000 1.018 373 T HN 0.535 nan 8.240 nan 0.000 0.521 374 S N 1.361 117.080 115.700 0.032 0.000 2.588 374 S HA 0.683 5.153 4.470 -0.000 0.000 0.275 374 S C -3.313 171.187 174.600 -0.166 0.000 1.130 374 S CA -1.721 56.427 58.200 -0.086 0.000 0.855 374 S CB 2.218 65.338 63.200 -0.133 0.000 1.116 374 S HN -0.101 nan 8.310 nan 0.000 0.472 375 P HA 0.108 nan 4.420 nan 0.000 0.274 375 P C 1.369 178.385 177.300 -0.473 0.000 1.237 375 P CA -0.562 62.332 63.100 -0.343 0.000 0.793 375 P CB 0.311 31.776 31.700 -0.391 0.000 0.977 376 W N 3.294 124.453 121.300 -0.235 0.000 2.316 376 W HA -0.222 4.438 4.660 -0.000 0.000 0.279 376 W C 0.608 177.164 176.519 0.062 0.000 1.208 376 W CA 0.925 58.205 57.345 -0.109 0.000 1.182 376 W CB -1.853 27.605 29.460 -0.003 0.000 1.134 376 W HN 0.312 nan 8.180 nan 0.000 0.560 377 F N 0.182 119.560 119.950 -0.954 0.000 2.664 377 F HA 0.488 5.015 4.527 -0.000 0.000 0.303 377 F C 1.470 177.099 175.800 -0.284 0.000 1.092 377 F CA -0.864 56.617 58.000 -0.865 0.000 1.305 377 F CB -0.866 37.339 39.000 -1.325 0.000 1.054 377 F HN -0.308 nan 8.300 nan 0.000 0.565 378 R N 0.126 120.288 120.500 -0.564 0.000 2.831 378 R HA 0.167 4.507 4.340 -0.000 0.000 0.337 378 R C 1.016 177.300 176.300 -0.027 0.000 1.200 378 R CA -0.460 55.491 56.100 -0.248 0.000 1.088 378 R CB -0.758 29.319 30.300 -0.372 0.000 1.397 378 R HN 0.325 nan 8.270 nan 0.000 0.581 379 F N 0.858 120.766 119.950 -0.069 0.000 2.071 379 F HA -0.498 4.029 4.527 -0.000 0.000 0.291 379 F C 2.389 178.227 175.800 0.065 0.000 1.070 379 F CA 2.336 60.359 58.000 0.040 0.000 1.262 379 F CB -0.391 38.689 39.000 0.134 0.000 0.983 379 F HN 0.185 nan 8.300 nan 0.000 0.493 380 S N -0.382 115.492 115.700 0.291 0.000 2.393 380 S HA -0.349 4.121 4.470 -0.000 0.000 0.235 380 S C 1.924 176.529 174.600 0.008 0.000 1.061 380 S CA 2.189 60.487 58.200 0.163 0.000 1.129 380 S CB -0.525 62.745 63.200 0.117 0.000 1.011 380 S HN 0.699 nan 8.310 nan 0.000 0.436 381 E N 0.170 120.358 120.200 -0.021 0.000 2.046 381 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 381 E C 2.561 179.132 176.600 -0.049 0.000 0.982 381 E CA 0.844 57.221 56.400 -0.037 0.000 0.800 381 E CB -0.211 29.468 29.700 -0.035 0.000 0.756 381 E HN 0.458 nan 8.360 nan 0.000 0.449 382 R N 0.681 121.133 120.500 -0.080 0.000 2.127 382 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 382 R C 2.380 178.621 176.300 -0.098 0.000 1.134 382 R CA 1.029 57.133 56.100 0.007 0.000 0.975 382 R CB -0.347 29.873 30.300 -0.134 0.000 0.865 382 R HN 0.131 nan 8.270 nan 0.000 0.447 383 A N 1.576 124.196 122.820 -0.333 0.000 1.902 383 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 383 A C 2.149 179.665 177.584 -0.114 0.000 1.181 383 A CA 1.650 53.504 52.037 -0.306 0.000 0.623 383 A CB -0.488 18.319 19.000 -0.322 0.000 0.818 383 A HN 0.339 nan 8.150 nan 0.000 0.443 384 R N -0.700 119.751 120.500 -0.081 0.000 2.070 384 R HA -0.112 4.228 4.340 -0.000 0.000 0.233 384 R C 2.016 178.284 176.300 -0.052 0.000 1.137 384 R CA 2.239 58.309 56.100 -0.050 0.000 0.945 384 R CB -1.068 29.211 30.300 -0.035 0.000 0.845 384 R HN 0.362 nan 8.270 nan 0.000 0.430 385 T N 1.382 115.906 114.554 -0.049 0.000 2.699 385 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 385 T C 1.855 176.485 174.700 -0.116 0.000 1.036 385 T CA 1.746 63.792 62.100 -0.089 0.000 1.147 385 T CB -0.166 68.640 68.868 -0.104 0.000 0.862 385 T HN 0.231 nan 8.240 nan 0.000 0.446 386 I N 0.457 120.987 120.570 -0.066 0.000 2.286 386 I HA -0.017 4.153 4.170 -0.000 0.000 0.245 386 I C 1.422 177.500 176.117 -0.064 0.000 1.104 386 I CA 1.050 62.313 61.300 -0.062 0.000 1.397 386 I CB -0.238 37.757 38.000 -0.008 0.000 1.072 386 I HN 0.180 nan 8.210 nan 0.000 0.417 387 L N 1.096 122.286 121.223 -0.055 0.000 2.801 387 L HA 0.095 4.435 4.340 -0.000 0.000 0.250 387 L C 1.080 177.922 176.870 -0.047 0.000 1.222 387 L CA -0.076 54.736 54.840 -0.046 0.000 1.054 387 L CB -0.347 41.690 42.059 -0.036 0.000 1.330 387 L HN 0.191 nan 8.230 nan 0.000 0.426 388 A N -0.250 122.535 122.820 -0.059 0.000 2.661 388 A HA 0.362 4.682 4.320 -0.000 0.000 0.278 388 A C 0.320 177.866 177.584 -0.063 0.000 1.090 388 A CA -0.360 51.642 52.037 -0.057 0.000 0.969 388 A CB 0.408 19.370 19.000 -0.062 0.000 1.240 388 A HN 0.244 nan 8.150 nan 0.000 0.578 389 L N 1.228 122.411 121.223 -0.066 0.000 2.328 389 L HA 0.209 4.549 4.340 -0.000 0.000 0.280 389 L C 1.029 177.872 176.870 -0.045 0.000 1.111 389 L CA -0.577 54.224 54.840 -0.064 0.000 0.909 389 L CB 0.775 42.791 42.059 -0.072 0.000 1.277 389 L HN 0.267 nan 8.230 nan 0.000 0.433 390 Q N 1.850 121.626 119.800 -0.039 0.000 2.439 390 Q HA -0.103 4.237 4.340 -0.000 0.000 0.211 390 Q C 1.307 177.292 176.000 -0.024 0.000 0.978 390 Q CA 0.801 56.587 55.803 -0.029 0.000 0.897 390 Q CB 0.027 28.750 28.738 -0.025 0.000 0.956 390 Q HN 0.747 nan 8.270 nan 0.000 0.483 391 N N -0.640 118.044 118.700 -0.028 0.000 2.336 391 N HA 0.001 4.741 4.740 -0.000 0.000 0.189 391 N C 0.091 175.590 175.510 -0.018 0.000 1.113 391 N CA 0.093 53.130 53.050 -0.022 0.000 0.858 391 N CB 0.615 39.087 38.487 -0.025 0.000 0.970 391 N HN -0.105 nan 8.380 nan 0.000 0.471 392 V N 1.239 121.141 119.914 -0.020 0.000 2.555 392 V HA 0.121 4.241 4.120 -0.000 0.000 0.302 392 V C -0.133 175.954 176.094 -0.012 0.000 1.038 392 V CA -1.143 61.148 62.300 -0.014 0.000 0.887 392 V CB 1.852 33.663 31.823 -0.019 0.000 0.991 392 V HN -0.009 nan 8.190 nan 0.000 0.434 393 D N 2.084 122.482 120.400 -0.004 0.000 2.548 393 D HA -0.065 4.575 4.640 -0.000 0.000 0.231 393 D C 0.770 177.063 176.300 -0.011 0.000 1.142 393 D CA 0.219 54.218 54.000 -0.002 0.000 0.866 393 D CB 0.967 41.772 40.800 0.008 0.000 1.190 393 D HN 0.437 nan 8.370 nan 0.000 0.469 394 L N 4.564 125.781 121.223 -0.011 0.000 1.994 394 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 394 L C 1.759 178.616 176.870 -0.021 0.000 1.071 394 L CA 1.619 56.449 54.840 -0.016 0.000 0.745 394 L CB -0.709 41.344 42.059 -0.011 0.000 0.892 394 L HN 0.469 nan 8.230 nan 0.000 0.431 395 N N 0.025 118.718 118.700 -0.011 0.000 2.192 395 N HA -0.231 4.509 4.740 -0.000 0.000 0.188 395 N C 1.948 177.436 175.510 -0.037 0.000 1.013 395 N CA 2.086 55.129 53.050 -0.012 0.000 0.863 395 N CB -0.338 38.153 38.487 0.007 0.000 0.990 395 N HN 0.490 nan 8.380 nan 0.000 0.430 396 I N 0.853 121.401 120.570 -0.035 0.000 2.286 396 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 396 I C 2.543 178.572 176.117 -0.147 0.000 1.104 396 I CA 0.665 61.923 61.300 -0.070 0.000 1.397 396 I CB -0.114 37.884 38.000 -0.003 0.000 1.072 396 I HN 0.041 nan 8.210 nan 0.000 0.417 397 R N 1.036 121.481 120.500 -0.091 0.000 2.096 397 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 397 R C 2.328 178.562 176.300 -0.111 0.000 1.139 397 R CA 1.710 57.755 56.100 -0.093 0.000 0.952 397 R CB -0.160 30.106 30.300 -0.057 0.000 0.854 397 R HN 0.313 nan 8.270 nan 0.000 0.436 398 K N 0.174 120.522 120.400 -0.086 0.000 2.020 398 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 398 K C 2.089 178.609 176.600 -0.132 0.000 1.050 398 K CA 1.465 57.712 56.287 -0.067 0.000 0.929 398 K CB -0.330 32.148 32.500 -0.035 0.000 0.714 398 K HN 0.007 nan 8.250 nan 0.000 0.443 399 L N 1.356 122.446 121.223 -0.221 0.000 2.013 399 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 399 L C 2.234 178.768 176.870 -0.561 0.000 1.073 399 L CA 1.611 56.211 54.840 -0.400 0.000 0.753 399 L CB -0.449 41.327 42.059 -0.472 0.000 0.890 399 L HN 0.225 nan 8.230 nan 0.000 0.432 400 I N -1.618 118.598 120.570 -0.589 0.000 2.151 400 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 400 I C 2.354 178.394 176.117 -0.129 0.000 1.080 400 I CA 1.337 62.382 61.300 -0.425 0.000 1.339 400 I CB -0.407 37.440 38.000 -0.255 0.000 1.039 400 I HN 0.066 nan 8.210 nan 0.000 0.409 401 V N 0.636 120.519 119.914 -0.052 0.000 2.295 401 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 401 V C 2.593 178.860 176.094 0.289 0.000 1.049 401 V CA 1.751 64.125 62.300 0.123 0.000 1.024 401 V CB -0.768 31.119 31.823 0.107 0.000 0.648 401 V HN 0.361 nan 8.190 nan 0.000 0.447 402 R N -0.780 119.777 120.500 0.094 0.000 2.080 402 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 402 R C 2.301 178.662 176.300 0.101 0.000 1.137 402 R CA 2.324 58.468 56.100 0.072 0.000 0.943 402 R CB -0.702 29.556 30.300 -0.070 0.000 0.846 402 R HN 0.692 nan 8.270 nan 0.000 0.431 403 H N 0.455 119.279 119.070 -0.410 0.000 2.253 403 H HA -0.134 4.422 4.556 -0.000 0.000 0.296 403 H C 2.296 177.719 175.328 0.158 0.000 1.074 403 H CA 1.869 57.710 56.048 -0.346 0.000 1.263 403 H CB -0.153 29.368 29.762 -0.403 0.000 1.363 403 H HN 0.098 nan 8.280 nan 0.000 0.489 404 L N -0.233 121.218 121.223 0.381 0.000 2.089 404 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 404 L C 2.270 179.451 176.870 0.517 0.000 1.079 404 L CA 1.700 56.771 54.840 0.386 0.000 0.758 404 L CB -0.331 41.910 42.059 0.304 0.000 0.891 404 L HN 0.517 nan 8.230 nan 0.000 0.433 405 W N -0.392 121.151 121.300 0.405 0.000 2.332 405 W HA -0.243 4.417 4.660 -0.000 0.000 0.321 405 W C 2.310 178.869 176.519 0.066 0.000 1.219 405 W CA 2.440 59.825 57.345 0.068 0.000 1.277 405 W CB -0.505 28.937 29.460 -0.029 0.000 1.161 405 W HN -0.088 nan 8.180 nan 0.000 0.476 406 V N 1.247 121.470 119.914 0.516 0.000 2.317 406 V HA -0.390 3.730 4.120 -0.000 0.000 0.251 406 V C 2.227 178.409 176.094 0.147 0.000 1.065 406 V CA 1.906 64.421 62.300 0.358 0.000 1.049 406 V CB -1.158 30.955 31.823 0.484 0.000 0.651 406 V HN 0.214 nan 8.190 nan 0.000 0.450 407 I N 0.331 121.025 120.570 0.206 0.000 2.142 407 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 407 I C 2.593 178.726 176.117 0.028 0.000 1.078 407 I CA 2.154 63.507 61.300 0.089 0.000 1.343 407 I CB -1.783 36.270 38.000 0.088 0.000 1.046 407 I HN 0.344 nan 8.210 nan 0.000 0.405 408 T N 1.117 115.679 114.554 0.014 0.000 2.720 408 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 408 T C 2.097 176.700 174.700 -0.161 0.000 1.037 408 T CA 2.045 64.154 62.100 0.015 0.000 1.144 408 T CB -0.373 68.483 68.868 -0.020 0.000 0.864 408 T HN 0.571 nan 8.240 nan 0.000 0.444 409 S N 1.997 117.408 115.700 -0.481 0.000 2.356 409 S HA -0.067 4.403 4.470 -0.000 0.000 0.223 409 S C 2.116 176.622 174.600 -0.156 0.000 1.032 409 S CA 1.002 58.879 58.200 -0.538 0.000 1.005 409 S CB -0.959 61.723 63.200 -0.863 0.000 0.867 409 S HN 0.454 nan 8.310 nan 0.000 0.449 410 L N 0.935 122.140 121.223 -0.029 0.000 2.013 410 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 410 L C 2.727 179.630 176.870 0.056 0.000 1.073 410 L CA 1.645 56.560 54.840 0.124 0.000 0.753 410 L CB -0.681 41.435 42.059 0.096 0.000 0.890 410 L HN 0.346 nan 8.230 nan 0.000 0.432 411 I N -0.195 120.414 120.570 0.065 0.000 2.264 411 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 411 I C 2.718 178.709 176.117 -0.210 0.000 1.111 411 I CA 1.206 62.525 61.300 0.032 0.000 1.382 411 I CB -0.458 37.623 38.000 0.134 0.000 1.060 411 I HN 0.234 nan 8.210 nan 0.000 0.418 412 A N 0.102 122.895 122.820 -0.044 0.000 2.015 412 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 412 A C 2.354 179.923 177.584 -0.025 0.000 1.163 412 A CA 1.330 53.374 52.037 0.012 0.000 0.646 412 A CB -0.524 18.532 19.000 0.094 0.000 0.806 412 A HN 0.260 nan 8.150 nan 0.000 0.448 413 V N -1.764 118.128 119.914 -0.036 0.000 2.331 413 V HA -0.085 4.035 4.120 -0.000 0.000 0.242 413 V C 2.183 178.154 176.094 -0.206 0.000 1.034 413 V CA 1.541 63.800 62.300 -0.068 0.000 1.027 413 V CB -0.973 30.835 31.823 -0.026 0.000 0.667 413 V HN 0.511 nan 8.190 nan 0.000 0.457 414 F N 1.712 121.407 119.950 -0.424 0.000 2.146 414 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 414 F C 2.447 177.978 175.800 -0.449 0.000 1.096 414 F CA 1.541 59.188 58.000 -0.587 0.000 1.275 414 F CB -1.172 36.993 39.000 -1.392 0.000 1.008 414 F HN 0.205 nan 8.300 nan 0.000 0.480 415 G N -0.352 108.236 108.800 -0.354 0.000 2.471 415 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 415 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 415 G C 1.709 176.687 174.900 0.131 0.000 1.125 415 G CA 0.316 45.268 45.100 -0.246 0.000 0.775 415 G HN 0.224 nan 8.290 nan 0.000 0.548 416 R N -0.541 119.939 120.500 -0.033 0.000 2.165 416 R HA -0.208 4.132 4.340 -0.000 0.000 0.254 416 R C 1.580 177.788 176.300 -0.153 0.000 1.153 416 R CA 1.825 57.854 56.100 -0.117 0.000 0.971 416 R CB -0.549 29.477 30.300 -0.456 0.000 0.878 416 R HN 0.575 nan 8.270 nan 0.000 0.449 417 Y N -1.177 119.237 120.300 0.190 0.000 2.462 417 Y HA 0.024 4.574 4.550 -0.000 0.000 0.293 417 Y C 0.170 176.202 175.900 0.221 0.000 1.195 417 Y CA -0.862 57.336 58.100 0.164 0.000 1.276 417 Y CB -0.303 38.222 38.460 0.107 0.000 1.082 417 Y HN 0.044 nan 8.280 nan 0.000 0.514 418 Y N 2.873 123.309 120.300 0.226 0.000 2.745 418 Y HA 0.125 4.675 4.550 -0.000 0.000 0.335 418 Y C 0.236 176.213 175.900 0.130 0.000 1.212 418 Y CA -0.587 57.632 58.100 0.199 0.000 1.535 418 Y CB 0.079 38.690 38.460 0.252 0.000 1.220 418 Y HN 0.187 nan 8.280 nan 0.000 0.531 419 R N 8.533 128.914 120.500 -0.198 0.000 2.695 419 R HA 0.398 4.738 4.340 -0.000 0.000 0.288 419 R C -3.255 172.887 176.300 -0.263 0.000 1.344 419 R CA -1.587 54.346 56.100 -0.280 0.000 1.005 419 R CB 1.208 31.461 30.300 -0.079 0.000 1.233 419 R HN 0.411 nan 8.270 nan 0.000 0.442 420 P HA 0.298 nan 4.420 nan 0.000 0.284 420 P C -1.386 175.861 177.300 -0.087 0.000 1.253 420 P CA -0.228 62.763 63.100 -0.183 0.000 0.800 420 P CB 1.394 32.978 31.700 -0.195 0.000 0.961 421 N N 0.000 118.682 118.700 -0.030 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 421 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667