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 1jdf_1_C DATA FIRST_RESID 5 DATA SEQUENCE FTTPVVTEMQ VIPVAGHDSM LMNLSGAHAP FFTRNIVIIK DNSGHTGVGE DATA SEQUENCE IPGGEKIRKT LEDAIPLVVG KTLGEYKNVL TLVRNTFADR DAGGRGLQTF DATA SEQUENCE DLRTTIHVVT GIEAAMLDLL GQHLGVNVAS LLGDGQQRSE VEMLGYLFFV DATA SEQUENCE GNRKATPLPY QSQPDDSCDW YRLRHEEAMT PDAVVRLAEA AYEKYGFNDF DATA SEQUENCE KLKGGVLAGE EEAESIVALA QRFPQARITL DPNGAWSLNE AIKIGKYLKG DATA SEQUENCE SLAYAEDPCG AEQGFSGREV MAEFRRATGL PTATNMIATD WRQMGHTLSL DATA SEQUENCE QSVDIPLADP HFWTMQGSVR VAQMCHEFGL TWGSHSDNHF DISLAMFTHV DATA SEQUENCE AAAAPGKITA IDTHWIWQEG NQRLTKEPFE IKGGLVQVPE KPGLGVEIDM DATA SEQUENCE DQVMKAHELY QKHGLGARDD AMGMQYLIPG WTFDNKRPCM VR 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.846 175.800 0.077 0.000 0.967 5 F CA 0.000 58.035 58.000 0.059 0.000 1.383 5 F CB 0.000 39.025 39.000 0.042 0.000 1.145 6 T N 0.340 114.995 114.554 0.168 0.000 2.909 6 T HA 0.453 4.817 4.350 0.023 0.000 0.289 6 T C 0.431 175.184 174.700 0.087 0.000 1.005 6 T CA -0.146 62.019 62.100 0.109 0.000 1.084 6 T CB 1.456 70.348 68.868 0.041 0.000 0.975 6 T HN 0.110 nan 8.240 nan 0.000 0.509 7 T N 5.053 119.611 114.554 0.007 0.000 2.799 7 T HA 0.391 4.755 4.350 0.023 0.000 0.286 7 T C -2.152 172.418 174.700 -0.216 0.000 0.973 7 T CA -1.095 60.899 62.100 -0.177 0.000 1.035 7 T CB 0.959 69.790 68.868 -0.062 0.000 0.932 7 T HN 0.332 nan 8.240 nan 0.000 0.469 8 P HA 0.241 nan 4.420 nan 0.000 0.269 8 P C -1.051 176.178 177.300 -0.118 0.000 1.217 8 P CA -0.397 62.580 63.100 -0.205 0.000 0.783 8 P CB 0.503 32.071 31.700 -0.219 0.000 0.898 9 V N 2.250 122.119 119.914 -0.074 0.000 2.604 9 V HA 0.179 4.313 4.120 0.023 0.000 0.305 9 V C 0.022 176.099 176.094 -0.027 0.000 1.043 9 V CA -0.868 61.408 62.300 -0.040 0.000 0.888 9 V CB 2.194 33.999 31.823 -0.029 0.000 0.995 9 V HN 0.217 nan 8.190 nan 0.000 0.429 10 V N 4.504 124.412 119.914 -0.010 0.000 2.485 10 V HA 0.099 4.233 4.120 0.023 0.000 0.287 10 V C 1.492 177.584 176.094 -0.004 0.000 1.022 10 V CA 1.085 63.384 62.300 -0.002 0.000 1.067 10 V CB 0.981 32.812 31.823 0.013 0.000 0.967 10 V HN 1.163 nan 8.190 nan 0.000 0.479 11 T N 1.209 115.759 114.554 -0.008 0.000 3.034 11 T HA 0.205 4.569 4.350 0.023 0.000 0.248 11 T C 0.348 175.045 174.700 -0.005 0.000 1.040 11 T CA 0.311 62.405 62.100 -0.009 0.000 1.107 11 T CB 0.217 69.076 68.868 -0.015 0.000 0.932 11 T HN 0.812 nan 8.240 nan 0.000 0.474 12 E N -0.009 120.188 120.200 -0.004 0.000 2.407 12 E HA 0.613 4.977 4.350 0.023 0.000 0.279 12 E C -1.582 175.015 176.600 -0.004 0.000 1.012 12 E CA -1.225 55.172 56.400 -0.005 0.000 0.800 12 E CB 1.835 31.528 29.700 -0.010 0.000 1.276 12 E HN 0.259 nan 8.360 nan 0.000 0.452 13 M N 1.619 121.215 119.600 -0.006 0.000 2.465 13 M HA 0.298 4.792 4.480 0.023 0.000 0.284 13 M C -2.353 173.936 176.300 -0.019 0.000 1.212 13 M CA -0.206 55.089 55.300 -0.008 0.000 0.910 13 M CB 2.598 35.201 32.600 0.005 0.000 1.725 13 M HN 0.771 nan 8.290 nan 0.000 0.477 14 Q N 2.273 122.054 119.800 -0.031 0.000 2.435 14 Q HA 0.718 5.072 4.340 0.023 0.000 0.282 14 Q C -2.121 173.842 176.000 -0.062 0.000 1.020 14 Q CA -1.065 54.708 55.803 -0.049 0.000 0.820 14 Q CB 2.725 31.424 28.738 -0.065 0.000 1.436 14 Q HN 0.589 nan 8.270 nan 0.000 0.395 15 V N 3.255 123.123 119.914 -0.076 0.000 2.495 15 V HA 0.696 4.830 4.120 0.023 0.000 0.298 15 V C -1.350 174.658 176.094 -0.142 0.000 1.031 15 V CA -0.728 61.518 62.300 -0.089 0.000 0.871 15 V CB 1.371 33.152 31.823 -0.070 0.000 0.988 15 V HN 0.831 nan 8.190 nan 0.000 0.432 16 I N 8.950 129.417 120.570 -0.171 0.000 2.439 16 I HA 0.432 4.616 4.170 0.023 0.000 0.283 16 I C -2.486 173.481 176.117 -0.250 0.000 1.023 16 I CA -1.943 59.198 61.300 -0.265 0.000 1.100 16 I CB 2.518 40.340 38.000 -0.297 0.000 1.238 16 I HN 0.488 nan 8.210 nan 0.000 0.445 17 P HA 0.174 nan 4.420 nan 0.000 0.276 17 P C -0.704 176.314 177.300 -0.470 0.000 1.235 17 P CA -0.029 62.731 63.100 -0.568 0.000 0.772 17 P CB 1.581 32.657 31.700 -1.040 0.000 0.871 18 V N 0.006 119.711 119.914 -0.347 0.000 3.102 18 V HA 0.987 5.121 4.120 0.023 0.000 0.312 18 V C -0.991 175.125 176.094 0.037 0.000 1.135 18 V CA -1.402 60.823 62.300 -0.124 0.000 1.022 18 V CB 1.749 33.468 31.823 -0.174 0.000 1.056 18 V HN 0.713 nan 8.190 nan 0.000 0.436 19 A N 0.683 123.523 122.820 0.033 0.000 2.498 19 A HA 1.056 5.390 4.320 0.023 0.000 0.298 19 A C -0.088 177.431 177.584 -0.109 0.000 1.075 19 A CA -0.138 51.856 52.037 -0.071 0.000 0.714 19 A CB 1.688 20.633 19.000 -0.092 0.000 1.299 19 A HN 2.125 nan 8.150 nan 0.000 0.407 20 G N -0.600 107.908 108.800 -0.487 0.000 2.818 20 G HA2 0.605 4.579 3.960 0.023 0.000 0.286 20 G HA3 0.605 4.579 3.960 0.023 0.000 0.286 20 G C -1.443 173.415 174.900 -0.069 0.000 1.364 20 G CA -0.626 44.337 45.100 -0.229 0.000 0.938 20 G HN 0.801 nan 8.290 nan 0.000 0.490 21 H N -0.509 118.760 119.070 0.331 0.000 2.467 21 H HA 0.620 5.190 4.556 0.023 0.000 0.331 21 H C -0.805 174.716 175.328 0.321 0.000 1.120 21 H CA -0.085 56.138 56.048 0.292 0.000 1.270 21 H CB 1.976 31.853 29.762 0.191 0.000 1.466 21 H HN 0.436 nan 8.280 nan 0.000 0.504 22 D N 0.122 120.682 120.400 0.268 0.000 2.581 22 D HA 0.363 5.017 4.640 0.023 0.000 0.232 22 D C -0.489 175.915 176.300 0.174 0.000 1.143 22 D CA -0.555 53.552 54.000 0.178 0.000 0.881 22 D CB 1.752 42.617 40.800 0.109 0.000 1.500 22 D HN 0.457 nan 8.370 nan 0.000 0.458 23 S N 0.696 116.455 115.700 0.099 0.000 2.655 23 S HA 0.247 4.731 4.470 0.023 0.000 0.265 23 S C 0.651 175.218 174.600 -0.056 0.000 1.240 23 S CA -0.650 57.598 58.200 0.080 0.000 0.986 23 S CB 0.614 63.808 63.200 -0.010 0.000 0.985 23 S HN 0.586 nan 8.310 nan 0.000 0.562 24 M N 2.469 121.918 119.600 -0.251 0.000 3.596 24 M HA 0.230 4.724 4.480 0.023 0.000 0.219 24 M C -1.288 174.775 176.300 -0.394 0.000 1.471 24 M CA -0.131 54.950 55.300 -0.366 0.000 1.644 24 M CB -0.937 31.205 32.600 -0.763 0.000 1.083 24 M HN 0.424 nan 8.290 nan 0.000 0.579 25 L N 3.717 124.568 121.223 -0.621 0.000 2.477 25 L HA 0.168 4.522 4.340 0.023 0.000 0.272 25 L C 0.044 176.577 176.870 -0.561 0.000 1.157 25 L CA -0.138 54.133 54.840 -0.948 0.000 0.889 25 L CB 0.209 41.038 42.059 -2.051 0.000 1.158 25 L HN 0.484 nan 8.230 nan 0.000 0.473 26 M N 4.179 123.666 119.600 -0.189 0.000 2.233 26 M HA 0.342 4.836 4.480 0.023 0.000 0.355 26 M C -0.141 176.253 176.300 0.156 0.000 1.191 26 M CA -0.163 55.134 55.300 -0.006 0.000 1.101 26 M CB 0.863 33.500 32.600 0.062 0.000 1.592 26 M HN 0.744 nan 8.290 nan 0.000 0.461 27 N N 0.445 119.244 118.700 0.164 0.000 3.106 27 N HA 0.379 5.133 4.740 0.023 0.000 0.253 27 N C 0.002 175.667 175.510 0.260 0.000 1.506 27 N CA -0.924 52.276 53.050 0.250 0.000 0.876 27 N CB 1.093 39.781 38.487 0.335 0.000 1.452 27 N HN 0.293 nan 8.380 nan 0.000 0.542 28 L N 0.381 121.776 121.223 0.288 0.000 2.081 28 L HA -0.006 4.348 4.340 0.023 0.000 0.212 28 L C 1.617 178.834 176.870 0.578 0.000 1.080 28 L CA 1.951 57.016 54.840 0.375 0.000 0.754 28 L CB -0.794 41.462 42.059 0.327 0.000 0.893 28 L HN 0.762 nan 8.230 nan 0.000 0.433 29 S N -0.523 115.439 115.700 0.436 0.000 2.607 29 S HA 0.358 4.842 4.470 0.023 0.000 0.224 29 S C 0.875 175.709 174.600 0.390 0.000 0.969 29 S CA 0.515 58.914 58.200 0.330 0.000 0.927 29 S CB -0.376 62.902 63.200 0.129 0.000 0.772 29 S HN 0.884 nan 8.310 nan 0.000 0.533 30 G N 0.624 109.554 108.800 0.217 0.000 2.250 30 G HA2 0.308 4.282 3.960 0.023 0.000 0.189 30 G HA3 0.308 4.282 3.960 0.023 0.000 0.189 30 G C -1.205 173.629 174.900 -0.109 0.000 1.298 30 G CA -0.418 44.558 45.100 -0.207 0.000 1.246 30 G HN 0.716 nan 8.290 nan 0.000 0.513 31 A N -0.295 122.456 122.820 -0.115 0.000 2.356 31 A HA 0.789 5.123 4.320 0.023 0.000 0.310 31 A C -0.219 177.417 177.584 0.086 0.000 1.075 31 A CA -0.330 51.682 52.037 -0.043 0.000 0.746 31 A CB 0.497 19.441 19.000 -0.093 0.000 1.221 31 A HN 0.854 nan 8.150 nan 0.000 0.443 32 H N 1.194 120.200 119.070 -0.106 0.000 3.001 32 H HA 0.243 4.813 4.556 0.023 0.000 0.334 32 H C 1.105 176.427 175.328 -0.011 0.000 1.034 32 H CA 0.361 56.342 56.048 -0.112 0.000 1.420 32 H CB 0.943 30.570 29.762 -0.225 0.000 1.405 32 H HN 0.870 nan 8.280 nan 0.000 0.593 33 A N 4.953 127.783 122.820 0.017 0.000 2.327 33 A HA 0.093 4.427 4.320 0.023 0.000 0.255 33 A C -1.338 176.053 177.584 -0.321 0.000 1.099 33 A CA -1.227 50.739 52.037 -0.119 0.000 0.801 33 A CB -0.030 18.890 19.000 -0.132 0.000 1.062 33 A HN 0.547 nan 8.150 nan 0.000 0.496 34 P HA -0.004 nan 4.420 nan 0.000 0.222 34 P C -0.543 176.169 177.300 -0.981 0.000 1.147 34 P CA 1.180 63.535 63.100 -1.240 0.000 0.790 34 P CB 0.016 30.679 31.700 -1.728 0.000 0.780 35 F N -0.824 118.961 119.950 -0.274 0.000 2.540 35 F HA 0.442 4.983 4.527 0.023 0.000 0.317 35 F C 0.095 175.831 175.800 -0.107 0.000 1.104 35 F CA -1.697 56.159 58.000 -0.240 0.000 0.913 35 F CB 0.879 39.655 39.000 -0.372 0.000 1.170 35 F HN -0.254 nan 8.300 nan 0.000 0.450 36 F N -0.239 119.709 119.950 -0.003 0.000 2.523 36 F HA 0.926 5.468 4.527 0.024 0.000 0.329 36 F C -0.280 175.536 175.800 0.027 0.000 1.061 36 F CA -1.042 56.910 58.000 -0.079 0.000 0.967 36 F CB 1.294 40.191 39.000 -0.173 0.000 1.218 36 F HN 0.485 nan 8.300 nan 0.000 0.480 37 T N 0.518 115.094 114.554 0.036 0.000 2.908 37 T HA 0.849 5.213 4.350 0.023 0.000 0.290 37 T C -0.670 174.112 174.700 0.137 0.000 1.034 37 T CA -1.025 61.113 62.100 0.063 0.000 1.010 37 T CB 2.087 71.078 68.868 0.205 0.000 1.068 37 T HN 0.797 nan 8.240 nan 0.000 0.481 38 R N 1.144 121.723 120.500 0.132 0.000 2.764 38 R HA 0.477 4.831 4.340 0.023 0.000 0.270 38 R C -1.413 174.908 176.300 0.035 0.000 1.014 38 R CA -0.829 55.357 56.100 0.144 0.000 0.904 38 R CB 1.656 32.143 30.300 0.311 0.000 1.236 38 R HN 0.819 nan 8.270 nan 0.000 0.466 39 N N 0.532 119.249 118.700 0.030 0.000 2.372 39 N HA 0.430 5.184 4.740 0.023 0.000 0.285 39 N C -0.706 174.800 175.510 -0.006 0.000 1.008 39 N CA -0.557 52.475 53.050 -0.030 0.000 0.880 39 N CB 1.507 39.982 38.487 -0.020 0.000 1.239 39 N HN 0.245 nan 8.380 nan 0.000 0.484 40 I N 2.528 123.066 120.570 -0.054 0.000 2.359 40 I HA 0.369 4.553 4.170 0.023 0.000 0.294 40 I C -0.107 175.981 176.117 -0.049 0.000 0.987 40 I CA -0.771 60.502 61.300 -0.046 0.000 1.225 40 I CB 1.291 39.236 38.000 -0.090 0.000 1.366 40 I HN 0.190 nan 8.210 nan 0.000 0.466 41 V N 7.355 127.255 119.914 -0.024 0.000 2.483 41 V HA 0.536 4.670 4.120 0.023 0.000 0.295 41 V C 0.083 176.159 176.094 -0.029 0.000 1.035 41 V CA -0.546 61.741 62.300 -0.022 0.000 0.896 41 V CB 2.348 34.173 31.823 0.004 0.000 0.986 41 V HN 0.455 nan 8.190 nan 0.000 0.447 42 I N 5.687 126.237 120.570 -0.033 0.000 2.512 42 I HA 0.530 4.714 4.170 0.023 0.000 0.287 42 I C -0.944 175.161 176.117 -0.020 0.000 1.069 42 I CA -0.250 61.031 61.300 -0.032 0.000 1.056 42 I CB 1.917 39.890 38.000 -0.045 0.000 1.229 42 I HN 0.413 nan 8.210 nan 0.000 0.429 43 I N 5.915 126.478 120.570 -0.012 0.000 2.545 43 I HA 0.469 4.653 4.170 0.023 0.000 0.292 43 I C -0.493 175.625 176.117 0.002 0.000 1.040 43 I CA -0.729 60.570 61.300 -0.003 0.000 1.068 43 I CB 2.263 40.266 38.000 0.005 0.000 1.251 43 I HN 0.459 nan 8.210 nan 0.000 0.424 44 K N 3.573 123.975 120.400 0.003 0.000 2.340 44 K HA 0.566 4.901 4.320 0.023 0.000 0.244 44 K C -1.549 175.053 176.600 0.003 0.000 0.973 44 K CA -0.918 55.374 56.287 0.008 0.000 0.828 44 K CB 2.257 34.757 32.500 0.001 0.000 1.226 44 K HN 0.633 nan 8.250 nan 0.000 0.437 45 D N -0.742 119.658 120.400 0.001 0.000 2.493 45 D HA 0.077 4.731 4.640 0.023 0.000 0.239 45 D C 0.161 176.431 176.300 -0.050 0.000 1.049 45 D CA -0.814 53.172 54.000 -0.023 0.000 1.008 45 D CB 0.428 41.213 40.800 -0.025 0.000 1.398 45 D HN 0.454 nan 8.370 nan 0.000 0.513 46 N N -0.737 117.926 118.700 -0.061 0.000 2.626 46 N HA -0.127 4.627 4.740 0.023 0.000 0.193 46 N C 0.744 176.189 175.510 -0.108 0.000 1.213 46 N CA 0.702 53.710 53.050 -0.070 0.000 0.914 46 N CB -0.425 38.028 38.487 -0.056 0.000 0.994 46 N HN 0.356 nan 8.380 nan 0.000 0.447 47 S N -2.018 113.585 115.700 -0.162 0.000 2.556 47 S HA 0.338 4.822 4.470 0.023 0.000 0.216 47 S C 1.315 175.688 174.600 -0.377 0.000 0.970 47 S CA 0.020 58.056 58.200 -0.275 0.000 0.912 47 S CB -0.545 62.445 63.200 -0.350 0.000 0.790 47 S HN 0.540 nan 8.310 nan 0.000 0.504 48 G N 0.724 109.394 108.800 -0.216 0.000 2.137 48 G HA2 -0.209 3.765 3.960 0.023 0.000 0.237 48 G HA3 -0.209 3.765 3.960 0.023 0.000 0.237 48 G C -0.178 174.703 174.900 -0.030 0.000 1.002 48 G CA 0.139 45.163 45.100 -0.127 0.000 0.702 48 G HN 0.743 nan 8.290 nan 0.000 0.515 49 H N -0.460 118.603 119.070 -0.010 0.000 2.567 49 H HA 0.685 5.255 4.556 0.023 0.000 0.345 49 H C -0.283 175.036 175.328 -0.016 0.000 1.169 49 H CA -0.357 55.685 56.048 -0.010 0.000 1.227 49 H CB 1.807 31.567 29.762 -0.003 0.000 1.607 49 H HN 0.143 nan 8.280 nan 0.000 0.534 50 T N 1.350 115.973 114.554 0.113 0.000 2.848 50 T HA 0.419 4.783 4.350 0.023 0.000 0.285 50 T C -0.018 174.684 174.700 0.004 0.000 0.995 50 T CA -0.864 61.260 62.100 0.039 0.000 0.970 50 T CB 1.460 70.339 68.868 0.017 0.000 0.976 50 T HN 0.755 nan 8.240 nan 0.000 0.441 51 G N 1.260 110.056 108.800 -0.007 0.000 2.452 51 G HA2 0.719 4.693 3.960 0.023 0.000 0.324 51 G HA3 0.719 4.693 3.960 0.023 0.000 0.324 51 G C -0.620 174.261 174.900 -0.031 0.000 1.214 51 G CA -0.771 44.312 45.100 -0.029 0.000 0.947 51 G HN 0.864 nan 8.290 nan 0.000 0.478 52 V N -0.487 119.402 119.914 -0.043 0.000 3.040 52 V HA 1.056 5.190 4.120 0.023 0.000 0.312 52 V C 0.129 176.202 176.094 -0.035 0.000 1.115 52 V CA -0.405 61.872 62.300 -0.039 0.000 0.998 52 V CB 1.683 33.477 31.823 -0.047 0.000 1.042 52 V HN 1.374 nan 8.190 nan 0.000 0.433 53 G N 1.015 109.806 108.800 -0.016 0.000 2.690 53 G HA2 0.684 4.658 3.960 0.023 0.000 0.293 53 G HA3 0.684 4.658 3.960 0.023 0.000 0.293 53 G C -1.821 173.103 174.900 0.039 0.000 1.399 53 G CA -0.534 44.571 45.100 0.009 0.000 0.890 53 G HN 1.082 nan 8.290 nan 0.000 0.485 54 E N -0.034 120.223 120.200 0.095 0.000 2.290 54 E HA 0.621 4.985 4.350 0.023 0.000 0.274 54 E C -0.892 175.863 176.600 0.259 0.000 0.889 54 E CA -0.769 55.724 56.400 0.155 0.000 0.760 54 E CB 2.117 31.928 29.700 0.185 0.000 1.206 54 E HN 0.672 nan 8.360 nan 0.000 0.419 55 I N -0.559 120.136 120.570 0.209 0.000 3.191 55 I HA 0.632 4.816 4.170 0.023 0.000 0.313 55 I C -2.740 173.420 176.117 0.073 0.000 1.193 55 I CA -3.162 58.275 61.300 0.228 0.000 0.968 55 I CB 1.907 40.038 38.000 0.218 0.000 1.262 55 I HN 0.273 nan 8.210 nan 0.000 0.456 56 P HA 0.064 nan 4.420 nan 0.000 0.267 56 P C -0.055 177.219 177.300 -0.043 0.000 1.195 56 P CA 0.332 63.358 63.100 -0.122 0.000 0.773 56 P CB 0.363 31.849 31.700 -0.358 0.000 0.837 57 G N 0.582 109.384 108.800 0.004 0.000 2.562 57 G HA2 0.579 4.553 3.960 0.023 0.000 0.275 57 G HA3 0.579 4.553 3.960 0.023 0.000 0.275 57 G C -0.214 174.717 174.900 0.052 0.000 1.196 57 G CA -0.134 44.997 45.100 0.052 0.000 0.908 57 G HN 0.792 nan 8.290 nan 0.000 0.524 58 G N -0.784 108.079 108.800 0.104 0.000 2.351 58 G HA2 0.226 4.201 3.960 0.023 0.000 0.472 58 G HA3 0.226 4.201 3.960 0.023 0.000 0.472 58 G C 0.131 175.089 174.900 0.096 0.000 1.570 58 G CA 0.450 45.609 45.100 0.098 0.000 0.921 58 G HN 0.778 nan 8.290 nan 0.000 0.674 59 E N 0.864 121.127 120.200 0.104 0.000 2.153 59 E HA -0.052 4.312 4.350 0.023 0.000 0.194 59 E C 2.216 178.841 176.600 0.041 0.000 0.988 59 E CA 2.049 58.498 56.400 0.082 0.000 0.811 59 E CB -0.020 29.728 29.700 0.080 0.000 0.746 59 E HN 0.583 nan 8.360 nan 0.000 0.466 60 K N -0.040 120.385 120.400 0.041 0.000 2.057 60 K HA -0.090 4.244 4.320 0.023 0.000 0.207 60 K C 2.269 178.871 176.600 0.003 0.000 1.049 60 K CA 1.557 57.858 56.287 0.022 0.000 0.931 60 K CB -0.237 32.286 32.500 0.039 0.000 0.714 60 K HN 0.248 nan 8.250 nan 0.000 0.440 61 I N 0.696 121.282 120.570 0.027 0.000 2.202 61 I HA -0.269 3.915 4.170 0.023 0.000 0.242 61 I C 2.784 178.892 176.117 -0.015 0.000 1.091 61 I CA 1.008 62.322 61.300 0.022 0.000 1.368 61 I CB -0.262 37.769 38.000 0.053 0.000 1.058 61 I HN 0.188 nan 8.210 nan 0.000 0.410 62 R N 1.425 121.918 120.500 -0.012 0.000 2.080 62 R HA -0.264 4.090 4.340 0.023 0.000 0.236 62 R C 2.347 178.617 176.300 -0.050 0.000 1.137 62 R CA 2.048 58.127 56.100 -0.035 0.000 0.943 62 R CB -0.178 30.102 30.300 -0.034 0.000 0.846 62 R HN 0.046 nan 8.270 nan 0.000 0.431 63 K N 0.049 120.424 120.400 -0.043 0.000 2.063 63 K HA -0.077 4.257 4.320 0.023 0.000 0.208 63 K C 1.852 178.375 176.600 -0.128 0.000 1.048 63 K CA 2.343 58.594 56.287 -0.059 0.000 0.928 63 K CB -0.548 31.931 32.500 -0.035 0.000 0.713 63 K HN 0.199 nan 8.250 nan 0.000 0.442 64 T N 1.171 115.617 114.554 -0.180 0.000 2.788 64 T HA -0.073 4.291 4.350 0.023 0.000 0.268 64 T C 1.728 176.209 174.700 -0.367 0.000 1.044 64 T CA 1.317 63.182 62.100 -0.390 0.000 1.139 64 T CB -0.169 68.477 68.868 -0.369 0.000 0.867 64 T HN 0.116 nan 8.240 nan 0.000 0.454 65 L N 0.561 121.679 121.223 -0.176 0.000 2.046 65 L HA -0.098 4.256 4.340 0.023 0.000 0.208 65 L C 2.821 179.645 176.870 -0.078 0.000 1.077 65 L CA 1.431 56.211 54.840 -0.099 0.000 0.747 65 L CB -0.374 41.657 42.059 -0.048 0.000 0.896 65 L HN 0.342 nan 8.230 nan 0.000 0.432 66 E N 0.071 120.224 120.200 -0.078 0.000 2.051 66 E HA -0.254 4.110 4.350 0.023 0.000 0.192 66 E C 1.601 178.186 176.600 -0.024 0.000 0.991 66 E CA 1.509 57.882 56.400 -0.044 0.000 0.799 66 E CB 0.113 29.790 29.700 -0.039 0.000 0.748 66 E HN 0.414 nan 8.360 nan 0.000 0.449 67 D N 0.068 120.432 120.400 -0.060 0.000 2.221 67 D HA -0.144 4.511 4.640 0.023 0.000 0.204 67 D C 1.603 177.995 176.300 0.154 0.000 0.982 67 D CA 1.165 55.179 54.000 0.025 0.000 0.857 67 D CB -0.163 40.613 40.800 -0.041 0.000 0.934 67 D HN 0.293 nan 8.370 nan 0.000 0.475 68 A N 0.346 123.209 122.820 0.072 0.000 2.067 68 A HA -0.013 4.321 4.320 0.023 0.000 0.217 68 A C 2.250 179.917 177.584 0.139 0.000 1.156 68 A CA 0.098 52.267 52.037 0.221 0.000 0.683 68 A CB -0.445 18.654 19.000 0.165 0.000 0.808 68 A HN 0.164 nan 8.150 nan 0.000 0.455 69 I N 0.261 120.877 120.570 0.076 0.000 2.143 69 I HA -0.264 3.920 4.170 0.023 0.000 0.245 69 I C -0.574 175.578 176.117 0.058 0.000 1.068 69 I CA 1.812 63.144 61.300 0.053 0.000 1.326 69 I CB -1.387 36.630 38.000 0.029 0.000 1.028 69 I HN 0.206 nan 8.210 nan 0.000 0.412 70 P HA -0.133 nan 4.420 nan 0.000 0.221 70 P C 1.638 178.970 177.300 0.052 0.000 1.145 70 P CA 1.302 64.434 63.100 0.053 0.000 0.795 70 P CB 0.007 31.740 31.700 0.055 0.000 0.775 71 L N -2.500 118.766 121.223 0.072 0.000 2.509 71 L HA 0.006 4.360 4.340 0.023 0.000 0.222 71 L C 1.847 178.753 176.870 0.059 0.000 1.123 71 L CA 0.493 55.370 54.840 0.062 0.000 0.856 71 L CB -0.252 41.855 42.059 0.080 0.000 0.985 71 L HN -0.105 nan 8.230 nan 0.000 0.456 72 V N -1.539 118.411 119.914 0.061 0.000 2.627 72 V HA 0.056 4.190 4.120 0.023 0.000 0.239 72 V C 1.195 177.313 176.094 0.039 0.000 1.077 72 V CA 0.014 62.347 62.300 0.055 0.000 1.103 72 V CB 0.499 32.357 31.823 0.059 0.000 0.802 72 V HN -0.056 nan 8.190 nan 0.000 0.482 73 V N 1.810 121.743 119.914 0.032 0.000 2.694 73 V HA 0.383 4.517 4.120 0.023 0.000 0.306 73 V C 1.504 177.608 176.094 0.017 0.000 1.054 73 V CA 1.556 63.869 62.300 0.021 0.000 1.161 73 V CB -0.089 31.744 31.823 0.016 0.000 0.916 73 V HN 0.814 nan 8.190 nan 0.000 0.490 74 G N 3.296 112.102 108.800 0.011 0.000 2.176 74 G HA2 -0.188 3.786 3.960 0.023 0.000 0.253 74 G HA3 -0.188 3.786 3.960 0.023 0.000 0.253 74 G C 0.156 175.062 174.900 0.009 0.000 0.979 74 G CA -0.074 45.030 45.100 0.007 0.000 0.641 74 G HN 0.541 nan 8.290 nan 0.000 0.530 75 K N 1.432 121.841 120.400 0.016 0.000 2.110 75 K HA 0.595 4.929 4.320 0.023 0.000 0.263 75 K C 0.788 177.399 176.600 0.018 0.000 0.975 75 K CA 0.192 56.491 56.287 0.020 0.000 0.895 75 K CB 1.408 33.928 32.500 0.033 0.000 1.060 75 K HN 0.452 nan 8.250 nan 0.000 0.448 76 T N -1.194 113.371 114.554 0.018 0.000 2.904 76 T HA 0.239 4.603 4.350 0.023 0.000 0.290 76 T C 1.779 176.502 174.700 0.038 0.000 1.018 76 T CA -0.687 61.418 62.100 0.009 0.000 1.075 76 T CB 0.468 69.339 68.868 0.005 0.000 0.986 76 T HN 0.450 nan 8.240 nan 0.000 0.523 77 L N 1.892 123.126 121.223 0.018 0.000 2.129 77 L HA -0.007 4.348 4.340 0.023 0.000 0.212 77 L C 2.901 179.879 176.870 0.180 0.000 1.087 77 L CA 1.557 56.437 54.840 0.066 0.000 0.757 77 L CB -1.086 40.971 42.059 -0.003 0.000 0.896 77 L HN 0.995 nan 8.230 nan 0.000 0.434 78 G N -0.286 108.593 108.800 0.132 0.000 2.509 78 G HA2 -0.174 3.800 3.960 0.023 0.000 0.218 78 G HA3 -0.174 3.800 3.960 0.023 0.000 0.218 78 G C 1.255 176.228 174.900 0.122 0.000 1.124 78 G CA 0.232 45.428 45.100 0.160 0.000 0.776 78 G HN 0.497 nan 8.290 nan 0.000 0.547 79 E N -0.302 119.957 120.200 0.098 0.000 2.474 79 E HA 0.061 4.425 4.350 0.023 0.000 0.195 79 E C 1.603 178.218 176.600 0.026 0.000 1.039 79 E CA -0.326 56.092 56.400 0.031 0.000 0.881 79 E CB -0.110 29.607 29.700 0.028 0.000 0.970 79 E HN 0.755 nan 8.360 nan 0.000 0.486 80 Y N 1.490 121.802 120.300 0.020 0.000 2.181 80 Y HA -0.266 4.298 4.550 0.023 0.000 0.284 80 Y C 1.686 177.604 175.900 0.030 0.000 1.179 80 Y CA 1.302 59.417 58.100 0.025 0.000 1.179 80 Y CB -0.264 38.212 38.460 0.026 0.000 0.973 80 Y HN -0.175 nan 8.280 nan 0.000 0.519 81 K N 0.204 120.164 120.400 -0.735 0.000 2.062 81 K HA -0.096 4.238 4.320 0.023 0.000 0.205 81 K C 1.692 178.174 176.600 -0.197 0.000 1.051 81 K CA 1.167 57.139 56.287 -0.525 0.000 0.941 81 K CB -0.200 31.947 32.500 -0.588 0.000 0.719 81 K HN 0.372 nan 8.250 nan 0.000 0.440 82 N N 0.774 119.385 118.700 -0.147 0.000 2.309 82 N HA -0.102 4.652 4.740 0.023 0.000 0.182 82 N C 1.821 177.314 175.510 -0.028 0.000 1.018 82 N CA 0.742 53.750 53.050 -0.069 0.000 0.876 82 N CB -0.153 38.303 38.487 -0.052 0.000 0.972 82 N HN -0.052 nan 8.380 nan 0.000 0.434 83 V N 1.571 121.480 119.914 -0.008 0.000 2.379 83 V HA -0.106 4.028 4.120 0.023 0.000 0.245 83 V C 2.361 178.486 176.094 0.052 0.000 1.044 83 V CA 1.013 63.333 62.300 0.034 0.000 1.036 83 V CB -0.405 31.458 31.823 0.067 0.000 0.664 83 V HN 0.205 nan 8.190 nan 0.000 0.453 84 L N -0.355 120.902 121.223 0.056 0.000 2.083 84 L HA -0.165 4.189 4.340 0.023 0.000 0.209 84 L C 2.555 179.464 176.870 0.064 0.000 1.083 84 L CA 1.850 56.739 54.840 0.081 0.000 0.752 84 L CB -0.917 41.200 42.059 0.097 0.000 0.899 84 L HN 0.342 nan 8.230 nan 0.000 0.433 85 T N 0.008 114.578 114.554 0.028 0.000 2.904 85 T HA -0.119 4.245 4.350 0.023 0.000 0.267 85 T C 1.790 176.499 174.700 0.015 0.000 1.059 85 T CA 0.855 62.968 62.100 0.021 0.000 1.137 85 T CB -0.087 68.778 68.868 -0.004 0.000 0.879 85 T HN 0.116 nan 8.240 nan 0.000 0.467 86 L N 1.341 122.570 121.223 0.009 0.000 2.027 86 L HA 0.009 4.363 4.340 0.023 0.000 0.206 86 L C 2.387 179.251 176.870 -0.011 0.000 1.074 86 L CA 1.513 56.347 54.840 -0.011 0.000 0.745 86 L CB -0.735 41.320 42.059 -0.007 0.000 0.898 86 L HN 0.042 nan 8.230 nan 0.000 0.433 87 V N 0.113 120.061 119.914 0.058 0.000 2.295 87 V HA -0.307 3.827 4.120 0.023 0.000 0.246 87 V C 2.791 178.984 176.094 0.165 0.000 1.049 87 V CA 2.184 64.575 62.300 0.151 0.000 1.024 87 V CB -0.766 31.189 31.823 0.221 0.000 0.648 87 V HN 0.534 nan 8.190 nan 0.000 0.447 88 R N 0.348 120.920 120.500 0.120 0.000 2.080 88 R HA -0.191 4.163 4.340 0.023 0.000 0.236 88 R C 2.271 178.606 176.300 0.059 0.000 1.137 88 R CA 2.121 58.289 56.100 0.113 0.000 0.943 88 R CB -0.311 30.042 30.300 0.089 0.000 0.846 88 R HN 0.545 nan 8.270 nan 0.000 0.431 89 N N -0.258 118.444 118.700 0.004 0.000 2.120 89 N HA -0.127 4.627 4.740 0.023 0.000 0.188 89 N C 1.661 177.109 175.510 -0.104 0.000 1.024 89 N CA 2.037 55.066 53.050 -0.034 0.000 0.852 89 N CB -0.680 37.781 38.487 -0.043 0.000 1.003 89 N HN 0.269 nan 8.380 nan 0.000 0.424 90 T N 0.032 114.451 114.554 -0.226 0.000 2.833 90 T HA -0.049 4.315 4.350 0.023 0.000 0.269 90 T C 0.727 175.044 174.700 -0.639 0.000 1.054 90 T CA 0.964 62.757 62.100 -0.513 0.000 1.135 90 T CB -0.156 68.217 68.868 -0.825 0.000 0.869 90 T HN 0.195 nan 8.240 nan 0.000 0.466 91 F N -0.153 119.812 119.950 0.025 0.000 2.735 91 F HA 0.609 5.150 4.527 0.023 0.000 0.308 91 F C 1.773 177.588 175.800 0.025 0.000 1.112 91 F CA -1.134 56.882 58.000 0.027 0.000 1.235 91 F CB -0.555 38.466 39.000 0.034 0.000 1.027 91 F HN 0.022 nan 8.300 nan 0.000 0.528 92 A N 0.976 123.870 122.820 0.125 0.000 1.927 92 A HA -0.281 4.053 4.320 0.023 0.000 0.220 92 A C 2.224 179.856 177.584 0.079 0.000 1.185 92 A CA 2.388 54.478 52.037 0.088 0.000 0.639 92 A CB -0.826 18.202 19.000 0.046 0.000 0.820 92 A HN 0.506 nan 8.150 nan 0.000 0.451 93 D N -0.386 120.059 120.400 0.074 0.000 2.311 93 D HA -0.206 4.448 4.640 0.023 0.000 0.212 93 D C 1.616 177.957 176.300 0.068 0.000 0.972 93 D CA 1.083 55.120 54.000 0.061 0.000 0.887 93 D CB -0.527 40.305 40.800 0.054 0.000 0.915 93 D HN 0.581 nan 8.370 nan 0.000 0.497 94 R N 0.073 120.631 120.500 0.096 0.000 2.316 94 R HA -0.001 4.353 4.340 0.023 0.000 0.202 94 R C 0.308 176.641 176.300 0.055 0.000 1.029 94 R CA 0.669 56.817 56.100 0.080 0.000 1.018 94 R CB 0.147 30.505 30.300 0.095 0.000 0.888 94 R HN 0.099 nan 8.270 nan 0.000 0.471 95 D N -0.079 120.349 120.400 0.047 0.000 2.463 95 D HA 0.170 4.824 4.640 0.023 0.000 0.224 95 D C 1.077 177.381 176.300 0.007 0.000 1.174 95 D CA -0.034 53.977 54.000 0.019 0.000 0.829 95 D CB 0.697 41.501 40.800 0.006 0.000 0.993 95 D HN 0.093 nan 8.370 nan 0.000 0.497 96 A N 0.514 123.344 122.820 0.017 0.000 1.917 96 A HA -0.099 4.235 4.320 0.023 0.000 0.219 96 A C 2.263 179.846 177.584 -0.001 0.000 1.182 96 A CA 1.938 53.982 52.037 0.011 0.000 0.633 96 A CB -0.912 18.098 19.000 0.017 0.000 0.819 96 A HN 0.329 nan 8.150 nan 0.000 0.448 97 G N -1.592 107.207 108.800 -0.002 0.000 2.559 97 G HA2 0.374 4.348 3.960 0.023 0.000 0.216 97 G HA3 0.374 4.348 3.960 0.023 0.000 0.216 97 G C 1.146 176.029 174.900 -0.028 0.000 1.126 97 G CA 0.820 45.913 45.100 -0.011 0.000 0.778 97 G HN 1.739 nan 8.290 nan 0.000 0.543 98 G N -0.391 108.387 108.800 -0.037 0.000 2.681 98 G HA2 -0.289 3.685 3.960 0.023 0.000 0.220 98 G HA3 -0.289 3.685 3.960 0.023 0.000 0.220 98 G C 0.787 175.632 174.900 -0.092 0.000 1.353 98 G CA 0.429 45.488 45.100 -0.067 0.000 0.872 98 G HN 0.469 nan 8.290 nan 0.000 0.557 99 R N 0.511 120.930 120.500 -0.136 0.000 2.096 99 R HA 0.262 4.616 4.340 0.023 0.000 0.235 99 R C 1.671 177.881 176.300 -0.151 0.000 1.127 99 R CA 2.470 58.463 56.100 -0.179 0.000 0.968 99 R CB -0.736 29.417 30.300 -0.245 0.000 0.861 99 R HN 2.686 nan 8.270 nan 0.000 0.440 100 G N -0.914 107.814 108.800 -0.119 0.000 2.685 100 G HA2 -0.228 3.746 3.960 0.023 0.000 0.387 100 G HA3 -0.228 3.746 3.960 0.023 0.000 0.387 100 G C -0.014 174.820 174.900 -0.110 0.000 1.324 100 G CA -0.224 44.810 45.100 -0.110 0.000 0.878 100 G HN 0.195 nan 8.290 nan 0.000 0.527 101 L N 0.695 121.869 121.223 -0.080 0.000 2.693 101 L HA 0.202 4.556 4.340 0.023 0.000 0.235 101 L C 1.485 178.355 176.870 -0.000 0.000 1.127 101 L CA -0.262 54.579 54.840 0.001 0.000 0.914 101 L CB -0.039 42.086 42.059 0.110 0.000 1.193 101 L HN 0.491 nan 8.230 nan 0.000 0.502 102 Q N 0.311 119.934 119.800 -0.295 0.000 2.631 102 Q HA -0.001 4.353 4.340 0.023 0.000 0.210 102 Q C 1.513 177.303 176.000 -0.351 0.000 1.094 102 Q CA 0.831 56.267 55.803 -0.612 0.000 1.055 102 Q CB 0.373 28.345 28.738 -1.276 0.000 1.261 102 Q HN 0.215 nan 8.270 nan 0.000 0.615 103 T N -2.834 111.575 114.554 -0.241 0.000 3.055 103 T HA 0.050 4.414 4.350 0.023 0.000 0.265 103 T C 0.652 175.426 174.700 0.124 0.000 1.111 103 T CA 0.378 62.509 62.100 0.052 0.000 1.118 103 T CB -0.265 68.749 68.868 0.243 0.000 0.909 103 T HN 0.412 nan 8.240 nan 0.000 0.501 104 F N 0.065 120.033 119.950 0.029 0.000 2.492 104 F HA 0.704 5.245 4.527 0.024 0.000 0.327 104 F C -0.314 175.475 175.800 -0.019 0.000 1.079 104 F CA -2.194 55.835 58.000 0.048 0.000 0.967 104 F CB 0.741 39.771 39.000 0.049 0.000 1.169 104 F HN -0.242 nan 8.300 nan 0.000 0.472 105 D N 2.494 122.971 120.400 0.130 0.000 2.383 105 D HA 0.123 4.777 4.640 0.023 0.000 0.252 105 D C 0.454 176.852 176.300 0.163 0.000 1.166 105 D CA 0.180 54.173 54.000 -0.013 0.000 0.879 105 D CB 1.164 41.876 40.800 -0.148 0.000 1.164 105 D HN 0.764 nan 8.370 nan 0.000 0.462 106 L N 3.474 124.716 121.223 0.032 0.000 2.611 106 L HA 0.174 4.528 4.340 0.023 0.000 0.229 106 L C 1.474 178.405 176.870 0.102 0.000 1.137 106 L CA -0.166 54.728 54.840 0.091 0.000 0.901 106 L CB 0.011 42.067 42.059 -0.005 0.000 1.098 106 L HN 0.114 nan 8.230 nan 0.000 0.456 107 R N -0.759 119.787 120.500 0.077 0.000 2.707 107 R HA 0.165 4.519 4.340 0.023 0.000 0.270 107 R C 0.772 177.170 176.300 0.165 0.000 1.083 107 R CA 0.290 56.405 56.100 0.024 0.000 1.182 107 R CB 0.873 31.091 30.300 -0.137 0.000 1.084 107 R HN -0.059 nan 8.270 nan 0.000 0.528 108 T N -0.969 113.650 114.554 0.108 0.000 3.272 108 T HA -0.015 4.349 4.350 0.023 0.000 0.247 108 T C 1.619 176.395 174.700 0.126 0.000 0.990 108 T CA 0.359 62.558 62.100 0.165 0.000 1.213 108 T CB -0.003 68.923 68.868 0.096 0.000 1.124 108 T HN 0.525 nan 8.240 nan 0.000 0.401 109 T N 2.740 117.340 114.554 0.077 0.000 2.759 109 T HA -0.040 4.324 4.350 0.023 0.000 0.269 109 T C 1.880 176.632 174.700 0.088 0.000 1.042 109 T CA 0.911 63.066 62.100 0.092 0.000 1.140 109 T CB -0.353 68.596 68.868 0.135 0.000 0.864 109 T HN 0.082 nan 8.240 nan 0.000 0.455 110 I N 0.710 121.291 120.570 0.019 0.000 2.361 110 I HA -0.122 4.062 4.170 0.023 0.000 0.251 110 I C 2.029 178.181 176.117 0.057 0.000 1.133 110 I CA 1.367 62.669 61.300 0.004 0.000 1.413 110 I CB -0.322 37.623 38.000 -0.091 0.000 1.073 110 I HN 0.371 nan 8.210 nan 0.000 0.424 111 H N -1.596 117.561 119.070 0.146 0.000 2.357 111 H HA -0.080 4.490 4.556 0.024 0.000 0.301 111 H C 2.290 177.696 175.328 0.130 0.000 1.082 111 H CA 1.520 57.669 56.048 0.167 0.000 1.342 111 H CB -0.056 29.805 29.762 0.165 0.000 1.389 111 H HN 0.154 nan 8.280 nan 0.000 0.511 112 V N 0.308 120.350 119.914 0.214 0.000 2.287 112 V HA -0.270 3.864 4.120 0.023 0.000 0.248 112 V C 2.390 178.562 176.094 0.130 0.000 1.053 112 V CA 1.636 64.013 62.300 0.128 0.000 1.027 112 V CB -0.534 31.322 31.823 0.055 0.000 0.646 112 V HN 0.268 nan 8.190 nan 0.000 0.447 113 V N -0.018 119.981 119.914 0.141 0.000 2.282 113 V HA -0.322 3.812 4.120 0.023 0.000 0.249 113 V C 2.574 178.750 176.094 0.137 0.000 1.057 113 V CA 2.751 65.134 62.300 0.139 0.000 1.032 113 V CB -1.174 30.732 31.823 0.139 0.000 0.645 113 V HN 0.636 nan 8.190 nan 0.000 0.447 114 T N 0.243 114.889 114.554 0.152 0.000 2.759 114 T HA -0.134 4.230 4.350 0.023 0.000 0.269 114 T C 1.885 176.652 174.700 0.111 0.000 1.042 114 T CA 1.522 63.704 62.100 0.136 0.000 1.140 114 T CB -0.654 68.311 68.868 0.161 0.000 0.864 114 T HN 0.646 nan 8.240 nan 0.000 0.455 115 G N 1.214 110.089 108.800 0.126 0.000 2.418 115 G HA2 -0.115 3.859 3.960 0.023 0.000 0.217 115 G HA3 -0.115 3.859 3.960 0.023 0.000 0.217 115 G C 1.495 176.435 174.900 0.067 0.000 1.158 115 G CA 0.441 45.598 45.100 0.096 0.000 0.771 115 G HN 0.509 nan 8.290 nan 0.000 0.545 116 I N 0.218 120.835 120.570 0.078 0.000 2.439 116 I HA -0.050 4.134 4.170 0.023 0.000 0.251 116 I C 2.576 178.738 176.117 0.075 0.000 1.139 116 I CA 0.959 62.302 61.300 0.071 0.000 1.438 116 I CB -0.148 37.906 38.000 0.089 0.000 1.085 116 I HN 0.279 nan 8.210 nan 0.000 0.427 117 E N 1.717 121.972 120.200 0.092 0.000 2.047 117 E HA -0.239 4.125 4.350 0.023 0.000 0.191 117 E C 2.336 178.956 176.600 0.033 0.000 0.987 117 E CA 1.387 57.846 56.400 0.098 0.000 0.799 117 E CB -0.001 29.771 29.700 0.120 0.000 0.752 117 E HN 0.444 nan 8.360 nan 0.000 0.449 118 A N 1.326 124.158 122.820 0.019 0.000 1.908 118 A HA -0.164 4.170 4.320 0.023 0.000 0.218 118 A C 2.396 179.954 177.584 -0.043 0.000 1.181 118 A CA 2.135 54.159 52.037 -0.022 0.000 0.627 118 A CB -0.825 18.164 19.000 -0.017 0.000 0.818 118 A HN 0.430 nan 8.150 nan 0.000 0.445 119 A N -1.225 121.584 122.820 -0.020 0.000 1.898 119 A HA -0.056 4.278 4.320 0.023 0.000 0.216 119 A C 2.179 179.739 177.584 -0.039 0.000 1.181 119 A CA 1.887 53.908 52.037 -0.027 0.000 0.620 119 A CB -0.436 18.560 19.000 -0.007 0.000 0.819 119 A HN 0.422 nan 8.150 nan 0.000 0.442 120 M N -0.364 119.218 119.600 -0.030 0.000 2.099 120 M HA -0.005 4.489 4.480 0.023 0.000 0.262 120 M C 2.149 178.345 176.300 -0.173 0.000 1.067 120 M CA 1.248 56.514 55.300 -0.058 0.000 1.124 120 M CB -1.419 31.189 32.600 0.012 0.000 1.353 120 M HN 0.375 nan 8.290 nan 0.000 0.410 121 L N -0.138 120.958 121.223 -0.212 0.000 2.191 121 L HA -0.222 4.132 4.340 0.023 0.000 0.212 121 L C 2.147 178.899 176.870 -0.197 0.000 1.103 121 L CA 1.033 55.706 54.840 -0.279 0.000 0.769 121 L CB -0.654 41.277 42.059 -0.213 0.000 0.908 121 L HN 0.279 nan 8.230 nan 0.000 0.438 122 D N 0.211 120.522 120.400 -0.148 0.000 2.144 122 D HA -0.144 4.510 4.640 0.023 0.000 0.200 122 D C 2.262 178.496 176.300 -0.109 0.000 0.978 122 D CA 1.156 55.076 54.000 -0.135 0.000 0.833 122 D CB 0.124 40.860 40.800 -0.107 0.000 0.961 122 D HN 0.206 nan 8.370 nan 0.000 0.470 123 L N -0.254 120.921 121.223 -0.080 0.000 2.072 123 L HA -0.074 4.280 4.340 0.023 0.000 0.205 123 L C 2.385 179.253 176.870 -0.005 0.000 1.079 123 L CA 0.372 55.197 54.840 -0.026 0.000 0.752 123 L CB -0.326 41.732 42.059 -0.002 0.000 0.906 123 L HN 0.151 nan 8.230 nan 0.000 0.436 124 L N 0.211 121.392 121.223 -0.071 0.000 2.046 124 L HA -0.079 4.275 4.340 0.023 0.000 0.208 124 L C 2.310 179.168 176.870 -0.020 0.000 1.077 124 L CA 2.128 56.940 54.840 -0.046 0.000 0.747 124 L CB -1.064 40.860 42.059 -0.224 0.000 0.896 124 L HN 0.135 nan 8.230 nan 0.000 0.432 125 G N -1.585 107.162 108.800 -0.088 0.000 2.418 125 G HA2 -0.257 3.717 3.960 0.023 0.000 0.217 125 G HA3 -0.257 3.717 3.960 0.023 0.000 0.217 125 G C 1.469 176.322 174.900 -0.077 0.000 1.158 125 G CA 0.688 45.734 45.100 -0.090 0.000 0.771 125 G HN 0.533 nan 8.290 nan 0.000 0.545 126 Q N -0.811 118.933 119.800 -0.093 0.000 2.119 126 Q HA -0.124 4.230 4.340 0.023 0.000 0.201 126 Q C 2.276 178.256 176.000 -0.034 0.000 0.972 126 Q CA 1.414 57.119 55.803 -0.165 0.000 0.847 126 Q CB -0.171 28.340 28.738 -0.378 0.000 0.903 126 Q HN 0.738 nan 8.270 nan 0.000 0.433 127 H N 0.314 119.390 119.070 0.010 0.000 2.395 127 H HA 0.010 4.580 4.556 0.023 0.000 0.299 127 H C 1.457 176.814 175.328 0.048 0.000 1.070 127 H CA 1.197 57.301 56.048 0.094 0.000 1.356 127 H CB 0.047 29.863 29.762 0.090 0.000 1.401 127 H HN 0.106 nan 8.280 nan 0.000 0.524 128 L N -0.767 120.356 121.223 -0.167 0.000 2.558 128 L HA 0.217 4.571 4.340 0.023 0.000 0.225 128 L C 1.490 178.289 176.870 -0.119 0.000 1.128 128 L CA 0.488 55.207 54.840 -0.202 0.000 0.868 128 L CB 0.135 42.142 42.059 -0.086 0.000 1.006 128 L HN 0.632 nan 8.230 nan 0.000 0.454 129 G N 1.097 109.843 108.800 -0.090 0.000 2.147 129 G HA2 -0.238 3.736 3.960 0.023 0.000 0.244 129 G HA3 -0.238 3.736 3.960 0.023 0.000 0.244 129 G C 0.125 174.994 174.900 -0.051 0.000 1.005 129 G CA 0.307 45.368 45.100 -0.065 0.000 0.713 129 G HN 0.295 nan 8.290 nan 0.000 0.515 130 V N -2.557 117.325 119.914 -0.053 0.000 3.001 130 V HA 0.812 4.946 4.120 0.023 0.000 0.314 130 V C 0.297 176.362 176.094 -0.049 0.000 1.099 130 V CA -0.998 61.278 62.300 -0.040 0.000 0.989 130 V CB 1.675 33.478 31.823 -0.032 0.000 1.040 130 V HN 0.636 nan 8.190 nan 0.000 0.434 131 N N 0.870 119.557 118.700 -0.022 0.000 2.424 131 N HA 0.271 5.025 4.740 0.023 0.000 0.257 131 N C 0.767 176.227 175.510 -0.085 0.000 1.250 131 N CA -0.421 52.611 53.050 -0.030 0.000 0.946 131 N CB 1.740 40.302 38.487 0.126 0.000 1.175 131 N HN 0.449 nan 8.380 nan 0.000 0.477 132 V N 0.939 120.687 119.914 -0.275 0.000 2.392 132 V HA -0.296 3.838 4.120 0.023 0.000 0.249 132 V C 2.666 178.738 176.094 -0.036 0.000 1.059 132 V CA 2.349 64.507 62.300 -0.236 0.000 1.051 132 V CB -1.375 30.196 31.823 -0.419 0.000 0.658 132 V HN 0.916 nan 8.190 nan 0.000 0.455 133 A N -0.225 122.704 122.820 0.181 0.000 1.927 133 A HA -0.266 4.068 4.320 0.023 0.000 0.220 133 A C 2.416 180.028 177.584 0.046 0.000 1.185 133 A CA 2.474 54.609 52.037 0.163 0.000 0.639 133 A CB -0.728 18.390 19.000 0.196 0.000 0.820 133 A HN 0.536 nan 8.150 nan 0.000 0.451 134 S N -0.671 115.048 115.700 0.031 0.000 2.515 134 S HA 0.096 4.580 4.470 0.023 0.000 0.231 134 S C 1.342 175.939 174.600 -0.006 0.000 0.987 134 S CA 0.777 58.979 58.200 0.003 0.000 0.936 134 S CB -0.221 62.977 63.200 -0.002 0.000 0.766 134 S HN 0.514 nan 8.310 nan 0.000 0.528 135 L N 0.669 121.884 121.223 -0.013 0.000 2.607 135 L HA 0.312 4.666 4.340 0.023 0.000 0.228 135 L C -0.139 176.738 176.870 0.012 0.000 1.123 135 L CA 0.209 55.043 54.840 -0.010 0.000 0.890 135 L CB -0.002 42.027 42.059 -0.050 0.000 1.103 135 L HN 0.166 nan 8.230 nan 0.000 0.468 136 L N -1.123 120.102 121.223 0.003 0.000 2.325 136 L HA 0.579 4.934 4.340 0.023 0.000 0.278 136 L C 1.320 178.180 176.870 -0.018 0.000 1.023 136 L CA -0.315 54.527 54.840 0.004 0.000 0.811 136 L CB 1.439 43.495 42.059 -0.005 0.000 1.249 136 L HN 0.149 nan 8.230 nan 0.000 0.431 137 G N 1.867 110.657 108.800 -0.016 0.000 2.690 137 G HA2 -0.347 3.627 3.960 0.023 0.000 0.334 137 G HA3 -0.347 3.627 3.960 0.023 0.000 0.334 137 G C 0.398 175.278 174.900 -0.033 0.000 1.250 137 G CA 0.704 45.781 45.100 -0.037 0.000 0.994 137 G HN 0.724 nan 8.290 nan 0.000 0.549 138 D N 2.967 123.336 120.400 -0.050 0.000 2.463 138 D HA 0.476 5.130 4.640 0.023 0.000 0.224 138 D C 1.198 177.474 176.300 -0.040 0.000 1.174 138 D CA 1.625 55.601 54.000 -0.040 0.000 0.829 138 D CB -0.028 40.746 40.800 -0.044 0.000 0.993 138 D HN 1.500 nan 8.370 nan 0.000 0.497 139 G N 1.193 109.970 108.800 -0.038 0.000 2.685 139 G HA2 -0.222 3.752 3.960 0.023 0.000 0.387 139 G HA3 -0.222 3.752 3.960 0.023 0.000 0.387 139 G C -0.383 174.491 174.900 -0.044 0.000 1.324 139 G CA -0.882 44.199 45.100 -0.031 0.000 0.878 139 G HN 0.251 nan 8.290 nan 0.000 0.527 140 Q N -0.148 119.633 119.800 -0.032 0.000 2.311 140 Q HA 0.349 4.703 4.340 0.023 0.000 0.272 140 Q C 1.049 177.015 176.000 -0.057 0.000 1.012 140 Q CA 0.213 55.993 55.803 -0.038 0.000 0.891 140 Q CB 0.446 29.171 28.738 -0.021 0.000 1.201 140 Q HN 0.517 nan 8.270 nan 0.000 0.391 141 Q N 2.834 122.587 119.800 -0.077 0.000 2.378 141 Q HA 0.135 4.489 4.340 0.023 0.000 0.229 141 Q C -0.110 175.844 176.000 -0.075 0.000 0.882 141 Q CA 0.678 56.427 55.803 -0.090 0.000 0.936 141 Q CB 0.866 29.523 28.738 -0.134 0.000 1.092 141 Q HN 0.683 nan 8.270 nan 0.000 0.535 142 R N -0.914 119.546 120.500 -0.067 0.000 2.799 142 R HA 0.514 4.868 4.340 0.023 0.000 0.270 142 R C 0.318 176.585 176.300 -0.056 0.000 1.010 142 R CA -0.119 55.948 56.100 -0.054 0.000 0.916 142 R CB 0.614 30.886 30.300 -0.046 0.000 1.228 142 R HN -0.111 nan 8.270 nan 0.000 0.469 143 S N -1.205 114.464 115.700 -0.052 0.000 2.524 143 S HA 0.068 4.552 4.470 0.023 0.000 0.215 143 S C -0.120 174.436 174.600 -0.074 0.000 0.986 143 S CA -0.157 58.004 58.200 -0.064 0.000 0.911 143 S CB -0.271 62.896 63.200 -0.055 0.000 0.805 143 S HN 0.700 nan 8.310 nan 0.000 0.501 144 E N -0.080 120.088 120.200 -0.054 0.000 2.366 144 E HA 0.639 5.003 4.350 0.023 0.000 0.278 144 E C -1.788 174.806 176.600 -0.010 0.000 0.923 144 E CA -1.194 55.180 56.400 -0.044 0.000 0.761 144 E CB 1.980 31.659 29.700 -0.034 0.000 1.231 144 E HN -0.026 nan 8.360 nan 0.000 0.443 145 V N 1.559 121.482 119.914 0.016 0.000 2.448 145 V HA 0.272 4.406 4.120 0.023 0.000 0.295 145 V C -0.258 175.887 176.094 0.085 0.000 1.025 145 V CA -0.739 61.601 62.300 0.066 0.000 0.859 145 V CB 1.364 33.255 31.823 0.113 0.000 0.988 145 V HN 0.814 nan 8.190 nan 0.000 0.431 146 E N 5.381 125.630 120.200 0.081 0.000 2.259 146 E HA 0.409 4.773 4.350 0.023 0.000 0.281 146 E C -0.669 175.994 176.600 0.104 0.000 1.037 146 E CA -0.471 55.977 56.400 0.080 0.000 0.854 146 E CB 0.697 30.429 29.700 0.054 0.000 1.051 146 E HN 0.508 nan 8.360 nan 0.000 0.409 147 M N 4.276 123.965 119.600 0.148 0.000 2.578 147 M HA 0.320 4.814 4.480 0.023 0.000 0.321 147 M C -0.611 175.761 176.300 0.120 0.000 1.182 147 M CA -1.205 54.197 55.300 0.170 0.000 0.965 147 M CB 1.052 33.839 32.600 0.312 0.000 1.694 147 M HN 0.474 nan 8.290 nan 0.000 0.461 148 L N -0.023 121.121 121.223 -0.132 0.000 2.352 148 L HA 0.950 5.304 4.340 0.023 0.000 0.269 148 L C 0.393 176.580 176.870 -1.139 0.000 1.034 148 L CA -0.550 54.007 54.840 -0.472 0.000 0.806 148 L CB 0.173 42.009 42.059 -0.371 0.000 1.244 148 L HN 0.718 nan 8.230 nan 0.000 0.447 149 G N 0.100 107.862 108.800 -1.729 0.000 2.338 149 G HA2 0.303 4.277 3.960 0.023 0.000 0.295 149 G HA3 0.303 4.277 3.960 0.023 0.000 0.295 149 G C -1.174 173.391 174.900 -0.559 0.000 1.132 149 G CA -0.176 43.830 45.100 -1.824 0.000 0.922 149 G HN 0.563 nan 8.290 nan 0.000 0.427 150 Y N 4.596 124.635 120.300 -0.434 0.000 2.600 150 Y HA 0.342 4.906 4.550 0.024 0.000 0.351 150 Y C 0.506 176.506 175.900 0.166 0.000 1.042 150 Y CA -1.353 56.665 58.100 -0.136 0.000 1.333 150 Y CB 0.012 38.431 38.460 -0.068 0.000 1.172 150 Y HN 0.301 nan 8.280 nan 0.000 0.517 151 L N 5.426 126.860 121.223 0.351 0.000 2.395 151 L HA 0.403 4.757 4.340 0.023 0.000 0.269 151 L C -0.669 176.289 176.870 0.147 0.000 1.133 151 L CA -0.272 54.776 54.840 0.347 0.000 0.812 151 L CB 0.710 42.817 42.059 0.080 0.000 1.125 151 L HN 0.354 nan 8.230 nan 0.000 0.452 152 F N 0.171 120.233 119.950 0.187 0.000 2.613 152 F HA 0.471 5.012 4.527 0.024 0.000 0.314 152 F C -0.257 175.455 175.800 -0.146 0.000 1.075 152 F CA -0.515 57.414 58.000 -0.119 0.000 0.945 152 F CB 1.790 40.529 39.000 -0.435 0.000 1.310 152 F HN 0.087 nan 8.300 nan 0.000 0.467 153 F N 1.877 121.934 119.950 0.180 0.000 2.412 153 F HA 0.495 5.036 4.527 0.023 0.000 0.348 153 F C 0.017 175.836 175.800 0.031 0.000 1.102 153 F CA -0.673 57.386 58.000 0.098 0.000 1.196 153 F CB 0.880 39.917 39.000 0.062 0.000 1.144 153 F HN -0.083 nan 8.300 nan 0.000 0.541 154 V N 3.385 123.407 119.914 0.181 0.000 2.417 154 V HA 0.575 4.709 4.120 0.023 0.000 0.291 154 V C 0.564 176.643 176.094 -0.026 0.000 1.024 154 V CA -1.007 61.297 62.300 0.007 0.000 0.861 154 V CB 1.073 32.908 31.823 0.020 0.000 0.985 154 V HN 0.907 nan 8.190 nan 0.000 0.436 155 G N 2.161 110.888 108.800 -0.122 0.000 2.634 155 G HA2 0.159 4.133 3.960 0.023 0.000 0.255 155 G HA3 0.159 4.133 3.960 0.023 0.000 0.255 155 G C 0.032 174.827 174.900 -0.175 0.000 1.205 155 G CA -0.403 44.612 45.100 -0.142 0.000 0.884 155 G HN 0.684 nan 8.290 nan 0.000 0.549 156 N N -0.033 118.579 118.700 -0.146 0.000 2.482 156 N HA 0.011 4.765 4.740 0.023 0.000 0.242 156 N C 1.955 177.342 175.510 -0.205 0.000 1.100 156 N CA -0.518 52.449 53.050 -0.137 0.000 0.946 156 N CB 0.489 38.928 38.487 -0.080 0.000 1.227 156 N HN 0.599 nan 8.380 nan 0.000 0.508 157 R N 2.731 123.056 120.500 -0.291 0.000 2.170 157 R HA -0.126 4.228 4.340 0.023 0.000 0.242 157 R C 0.662 176.865 176.300 -0.162 0.000 1.145 157 R CA 1.218 57.095 56.100 -0.372 0.000 0.984 157 R CB -0.160 29.931 30.300 -0.348 0.000 0.869 157 R HN 0.360 nan 8.270 nan 0.000 0.455 158 K N 0.514 120.847 120.400 -0.112 0.000 2.486 158 K HA 0.094 4.428 4.320 0.023 0.000 0.194 158 K C 1.478 178.038 176.600 -0.067 0.000 1.033 158 K CA 0.703 56.947 56.287 -0.071 0.000 1.004 158 K CB 0.321 32.791 32.500 -0.051 0.000 0.798 158 K HN 0.298 nan 8.250 nan 0.000 0.495 159 A N 1.564 124.337 122.820 -0.077 0.000 2.278 159 A HA 0.013 4.347 4.320 0.023 0.000 0.212 159 A C 0.725 178.275 177.584 -0.056 0.000 1.213 159 A CA 0.323 52.332 52.037 -0.047 0.000 0.840 159 A CB -0.177 18.802 19.000 -0.034 0.000 0.866 159 A HN 0.286 nan 8.150 nan 0.000 0.489 160 T N -4.744 109.731 114.554 -0.133 0.000 2.883 160 T HA 0.596 4.960 4.350 0.023 0.000 0.296 160 T C -2.706 171.812 174.700 -0.303 0.000 1.117 160 T CA -1.193 60.711 62.100 -0.328 0.000 1.006 160 T CB 2.251 70.909 68.868 -0.349 0.000 1.191 160 T HN -0.074 nan 8.240 nan 0.000 0.508 161 P HA 0.320 nan 4.420 nan 0.000 0.267 161 P C 0.206 177.384 177.300 -0.205 0.000 1.289 161 P CA -0.295 62.656 63.100 -0.248 0.000 0.866 161 P CB 0.158 31.733 31.700 -0.207 0.000 1.309 162 L N 2.943 124.014 121.223 -0.253 0.000 2.456 162 L HA 0.152 4.506 4.340 0.023 0.000 0.272 162 L C -1.240 175.524 176.870 -0.176 0.000 1.189 162 L CA -1.628 53.084 54.840 -0.213 0.000 0.846 162 L CB -0.230 41.680 42.059 -0.250 0.000 1.111 162 L HN -0.120 nan 8.230 nan 0.000 0.475 163 P HA -0.003 nan 4.420 nan 0.000 0.232 163 P C -0.898 176.197 177.300 -0.342 0.000 1.738 163 P CA -0.069 62.901 63.100 -0.216 0.000 0.948 163 P CB -0.446 31.191 31.700 -0.104 0.000 1.943 164 Y N 1.081 121.242 120.300 -0.232 0.000 2.442 164 Y HA 0.021 4.585 4.550 0.023 0.000 0.330 164 Y C 1.897 177.698 175.900 -0.166 0.000 1.129 164 Y CA -0.148 57.824 58.100 -0.214 0.000 1.365 164 Y CB 0.578 38.941 38.460 -0.162 0.000 1.233 164 Y HN 0.311 nan 8.280 nan 0.000 0.529 165 Q N 1.773 121.557 119.800 -0.026 0.000 2.535 165 Q HA 0.514 4.868 4.340 0.023 0.000 0.228 165 Q C -0.639 175.129 176.000 -0.387 0.000 1.062 165 Q CA -0.354 55.343 55.803 -0.178 0.000 0.967 165 Q CB 1.008 29.616 28.738 -0.216 0.000 1.273 165 Q HN 0.659 nan 8.270 nan 0.000 0.554 166 S N -0.305 115.089 115.700 -0.509 0.000 2.578 166 S HA 0.290 4.774 4.470 0.023 0.000 0.272 166 S C -1.087 173.316 174.600 -0.328 0.000 1.145 166 S CA -1.027 56.854 58.200 -0.532 0.000 0.835 166 S CB 1.551 64.641 63.200 -0.183 0.000 1.104 166 S HN 0.726 nan 8.310 nan 0.000 0.458 167 Q N 0.952 120.681 119.800 -0.119 0.000 2.903 167 Q HA 0.293 4.647 4.340 0.023 0.000 0.342 167 Q C -2.122 173.902 176.000 0.041 0.000 0.808 167 Q CA -1.759 54.039 55.803 -0.008 0.000 1.004 167 Q CB 1.364 30.141 28.738 0.065 0.000 1.470 167 Q HN 0.588 nan 8.270 nan 0.000 0.387 168 P HA -0.206 nan 4.420 nan 0.000 0.217 168 P C -0.005 177.305 177.300 0.017 0.000 1.148 168 P CA 1.451 64.560 63.100 0.015 0.000 0.834 168 P CB 0.414 32.113 31.700 -0.002 0.000 0.783 169 D N -1.326 119.083 120.400 0.015 0.000 2.433 169 D HA 0.023 4.677 4.640 0.023 0.000 0.211 169 D C 0.547 176.863 176.300 0.027 0.000 1.114 169 D CA -0.172 53.838 54.000 0.016 0.000 0.837 169 D CB 0.124 40.929 40.800 0.009 0.000 0.984 169 D HN 0.230 nan 8.370 nan 0.000 0.505 170 D N 1.655 122.079 120.400 0.041 0.000 2.506 170 D HA -0.070 4.584 4.640 0.023 0.000 0.234 170 D C 1.504 177.840 176.300 0.060 0.000 1.143 170 D CA 0.287 54.326 54.000 0.064 0.000 0.871 170 D CB 1.274 42.141 40.800 0.111 0.000 1.190 170 D HN 0.012 nan 8.370 nan 0.000 0.459 171 S N 2.409 118.145 115.700 0.061 0.000 2.423 171 S HA -0.129 4.355 4.470 0.023 0.000 0.231 171 S C 1.348 175.968 174.600 0.034 0.000 1.014 171 S CA -0.164 58.061 58.200 0.041 0.000 0.965 171 S CB -0.203 63.019 63.200 0.036 0.000 0.785 171 S HN 0.527 nan 8.310 nan 0.000 0.495 172 C N 3.149 122.484 119.300 0.058 0.000 2.442 172 C HA 0.358 4.832 4.460 0.023 0.000 0.362 172 C C 1.374 176.354 174.990 -0.016 0.000 1.242 172 C CA -0.746 58.262 59.018 -0.017 0.000 1.741 172 C CB -0.919 26.758 27.740 -0.106 0.000 2.378 172 C HN 0.437 nan 8.230 nan 0.000 0.549 173 D N 2.980 123.373 120.400 -0.012 0.000 2.149 173 D HA -0.178 4.477 4.640 0.023 0.000 0.194 173 D C 1.663 177.969 176.300 0.011 0.000 1.001 173 D CA 1.651 55.661 54.000 0.016 0.000 0.849 173 D CB -0.299 40.529 40.800 0.046 0.000 0.939 173 D HN 0.928 nan 8.370 nan 0.000 0.449 174 W N 0.567 121.767 121.300 -0.168 0.000 2.355 174 W HA -0.280 4.394 4.660 0.024 0.000 0.309 174 W C 1.625 178.082 176.519 -0.103 0.000 1.206 174 W CA 0.925 58.161 57.345 -0.182 0.000 1.284 174 W CB -0.404 28.887 29.460 -0.281 0.000 1.145 174 W HN 0.019 nan 8.180 nan 0.000 0.502 175 Y N 0.785 120.906 120.300 -0.299 0.000 2.333 175 Y HA -0.158 4.406 4.550 0.023 0.000 0.290 175 Y C 2.742 178.477 175.900 -0.274 0.000 1.144 175 Y CA 1.787 59.681 58.100 -0.343 0.000 1.228 175 Y CB -1.344 37.072 38.460 -0.074 0.000 0.985 175 Y HN 0.079 nan 8.280 nan 0.000 0.542 176 R N 0.195 120.677 120.500 -0.030 0.000 2.057 176 R HA -0.031 4.323 4.340 0.023 0.000 0.224 176 R C 1.941 178.190 176.300 -0.086 0.000 1.136 176 R CA 0.958 57.059 56.100 0.003 0.000 0.968 176 R CB -0.471 29.840 30.300 0.018 0.000 0.863 176 R HN 0.283 nan 8.270 nan 0.000 0.433 177 L N 1.651 122.772 121.223 -0.169 0.000 2.275 177 L HA -0.072 4.282 4.340 0.023 0.000 0.215 177 L C 2.458 179.149 176.870 -0.299 0.000 1.119 177 L CA 1.056 55.796 54.840 -0.166 0.000 0.790 177 L CB -0.357 41.648 42.059 -0.090 0.000 0.919 177 L HN 0.314 nan 8.230 nan 0.000 0.443 178 R N -0.975 119.115 120.500 -0.684 0.000 2.328 178 R HA -0.123 4.231 4.340 0.023 0.000 0.207 178 R C 1.066 177.130 176.300 -0.394 0.000 1.056 178 R CA 1.068 56.706 56.100 -0.769 0.000 1.016 178 R CB -0.425 28.962 30.300 -1.521 0.000 0.872 178 R HN 0.469 nan 8.270 nan 0.000 0.471 179 H N -0.068 118.949 119.070 -0.088 0.000 2.755 179 H HA 0.295 4.866 4.556 0.024 0.000 0.273 179 H C -0.257 175.034 175.328 -0.061 0.000 1.055 179 H CA -0.244 55.776 56.048 -0.047 0.000 1.191 179 H CB 0.611 30.343 29.762 -0.050 0.000 1.536 179 H HN 0.187 nan 8.280 nan 0.000 0.529 180 E N 1.445 121.659 120.200 0.024 0.000 2.214 180 E HA 0.126 4.490 4.350 0.023 0.000 0.274 180 E C 0.180 176.781 176.600 0.002 0.000 0.977 180 E CA -0.559 55.845 56.400 0.006 0.000 0.827 180 E CB 2.017 31.720 29.700 0.005 0.000 1.130 180 E HN 0.276 nan 8.360 nan 0.000 0.394 181 E N 0.779 120.973 120.200 -0.010 0.000 2.502 181 E HA 0.145 4.509 4.350 0.023 0.000 0.261 181 E C -1.089 175.539 176.600 0.047 0.000 0.974 181 E CA 0.131 56.531 56.400 0.000 0.000 0.936 181 E CB 0.380 30.073 29.700 -0.011 0.000 0.926 181 E HN 0.473 nan 8.360 nan 0.000 0.459 182 A N 6.233 129.107 122.820 0.089 0.000 2.872 182 A HA 0.271 4.605 4.320 0.023 0.000 0.305 182 A C -0.413 177.330 177.584 0.264 0.000 1.171 182 A CA -0.613 51.515 52.037 0.151 0.000 0.782 182 A CB 0.702 19.797 19.000 0.159 0.000 1.329 182 A HN 0.573 nan 8.150 nan 0.000 0.432 183 M N 1.484 121.209 119.600 0.208 0.000 2.496 183 M HA 0.181 4.675 4.480 0.023 0.000 0.330 183 M C 0.436 176.832 176.300 0.160 0.000 1.133 183 M CA 0.480 55.891 55.300 0.184 0.000 0.964 183 M CB -0.371 32.238 32.600 0.015 0.000 1.401 183 M HN 0.818 nan 8.290 nan 0.000 0.520 184 T N -3.906 110.796 114.554 0.246 0.000 2.883 184 T HA 0.549 4.913 4.350 0.023 0.000 0.296 184 T C -2.572 172.267 174.700 0.232 0.000 1.117 184 T CA -1.398 60.819 62.100 0.196 0.000 1.006 184 T CB 2.740 71.671 68.868 0.105 0.000 1.191 184 T HN -0.262 nan 8.240 nan 0.000 0.508 185 P HA -0.066 nan 4.420 nan 0.000 0.215 185 P C 0.931 178.285 177.300 0.089 0.000 1.157 185 P CA 1.125 64.308 63.100 0.137 0.000 0.868 185 P CB -0.011 31.755 31.700 0.109 0.000 0.788 186 D N -0.850 119.596 120.400 0.076 0.000 2.104 186 D HA -0.147 4.507 4.640 0.023 0.000 0.194 186 D C 2.003 178.341 176.300 0.063 0.000 0.994 186 D CA 1.699 55.732 54.000 0.055 0.000 0.830 186 D CB -0.878 39.949 40.800 0.045 0.000 0.959 186 D HN 0.051 nan 8.370 nan 0.000 0.452 187 A N 0.361 123.231 122.820 0.083 0.000 1.930 187 A HA -0.113 4.221 4.320 0.023 0.000 0.217 187 A C 2.509 180.148 177.584 0.091 0.000 1.175 187 A CA 1.097 53.188 52.037 0.089 0.000 0.627 187 A CB -0.632 18.433 19.000 0.109 0.000 0.815 187 A HN 0.153 nan 8.150 nan 0.000 0.443 188 V N -0.383 119.581 119.914 0.083 0.000 2.358 188 V HA -0.200 3.934 4.120 0.023 0.000 0.246 188 V C 2.553 178.657 176.094 0.018 0.000 1.047 188 V CA 1.887 64.202 62.300 0.025 0.000 1.035 188 V CB -0.601 31.186 31.823 -0.061 0.000 0.658 188 V HN 0.371 nan 8.190 nan 0.000 0.452 189 V N -0.226 119.704 119.914 0.028 0.000 2.407 189 V HA -0.257 3.877 4.120 0.023 0.000 0.248 189 V C 2.528 178.661 176.094 0.065 0.000 1.055 189 V CA 2.167 64.486 62.300 0.032 0.000 1.049 189 V CB -0.786 31.050 31.823 0.022 0.000 0.662 189 V HN 0.447 nan 8.190 nan 0.000 0.455 190 R N -0.312 120.230 120.500 0.070 0.000 2.081 190 R HA -0.119 4.235 4.340 0.023 0.000 0.235 190 R C 2.276 178.657 176.300 0.135 0.000 1.131 190 R CA 1.570 57.723 56.100 0.089 0.000 0.960 190 R CB -0.302 30.042 30.300 0.074 0.000 0.856 190 R HN 0.430 nan 8.270 nan 0.000 0.436 191 L N -0.352 120.960 121.223 0.147 0.000 2.046 191 L HA -0.150 4.204 4.340 0.023 0.000 0.208 191 L C 2.611 179.624 176.870 0.238 0.000 1.077 191 L CA 1.310 56.302 54.840 0.252 0.000 0.747 191 L CB -0.545 41.679 42.059 0.275 0.000 0.896 191 L HN 0.321 nan 8.230 nan 0.000 0.432 192 A N -0.148 122.711 122.820 0.065 0.000 1.908 192 A HA -0.243 4.091 4.320 0.023 0.000 0.218 192 A C 2.159 179.825 177.584 0.137 0.000 1.181 192 A CA 1.815 53.763 52.037 -0.148 0.000 0.627 192 A CB -0.467 18.208 19.000 -0.543 0.000 0.818 192 A HN 0.455 nan 8.150 nan 0.000 0.445 193 E N -0.446 119.918 120.200 0.272 0.000 2.077 193 E HA -0.104 4.260 4.350 0.023 0.000 0.193 193 E C 2.322 179.116 176.600 0.323 0.000 0.989 193 E CA 0.966 57.590 56.400 0.374 0.000 0.800 193 E CB -0.268 29.561 29.700 0.215 0.000 0.746 193 E HN 0.625 nan 8.360 nan 0.000 0.452 194 A N 1.270 124.249 122.820 0.265 0.000 1.930 194 A HA -0.056 4.278 4.320 0.023 0.000 0.217 194 A C 2.345 180.063 177.584 0.224 0.000 1.175 194 A CA 1.521 53.710 52.037 0.254 0.000 0.627 194 A CB -0.500 18.692 19.000 0.320 0.000 0.815 194 A HN 0.288 nan 8.150 nan 0.000 0.443 195 A N -1.502 121.444 122.820 0.210 0.000 1.930 195 A HA -0.066 4.268 4.320 0.023 0.000 0.217 195 A C 2.119 179.826 177.584 0.205 0.000 1.175 195 A CA 1.594 53.617 52.037 -0.024 0.000 0.627 195 A CB -0.740 18.180 19.000 -0.133 0.000 0.815 195 A HN 0.725 nan 8.150 nan 0.000 0.443 196 Y N 0.603 121.047 120.300 0.240 0.000 2.163 196 Y HA -0.170 4.394 4.550 0.023 0.000 0.288 196 Y C 2.289 178.224 175.900 0.058 0.000 1.136 196 Y CA 2.076 60.314 58.100 0.230 0.000 1.147 196 Y CB -0.387 38.315 38.460 0.403 0.000 0.987 196 Y HN 0.512 nan 8.280 nan 0.000 0.509 197 E N 0.054 120.223 120.200 -0.052 0.000 2.058 197 E HA -0.314 4.050 4.350 0.023 0.000 0.194 197 E C 2.134 178.531 176.600 -0.338 0.000 0.997 197 E CA 1.755 58.035 56.400 -0.200 0.000 0.801 197 E CB -0.158 29.522 29.700 -0.034 0.000 0.746 197 E HN 0.297 nan 8.360 nan 0.000 0.450 198 K N -0.394 119.778 120.400 -0.380 0.000 2.062 198 K HA -0.119 4.215 4.320 0.023 0.000 0.205 198 K C 1.333 177.398 176.600 -0.893 0.000 1.051 198 K CA 1.612 57.490 56.287 -0.682 0.000 0.941 198 K CB -0.196 31.753 32.500 -0.919 0.000 0.719 198 K HN 0.270 nan 8.250 nan 0.000 0.440 199 Y N -1.652 118.344 120.300 -0.506 0.000 2.430 199 Y HA 0.319 4.883 4.550 0.024 0.000 0.248 199 Y C 1.104 176.554 175.900 -0.750 0.000 1.108 199 Y CA -0.064 57.622 58.100 -0.691 0.000 1.264 199 Y CB 0.870 38.675 38.460 -1.091 0.000 1.172 199 Y HN 0.175 nan 8.280 nan 0.000 0.520 200 G N 0.756 109.230 108.800 -0.542 0.000 2.198 200 G HA2 -0.311 3.663 3.960 0.023 0.000 0.257 200 G HA3 -0.311 3.663 3.960 0.023 0.000 0.257 200 G C -0.232 174.560 174.900 -0.181 0.000 1.042 200 G CA -0.362 44.443 45.100 -0.492 0.000 0.791 200 G HN 0.150 nan 8.290 nan 0.000 0.502 201 F N 0.254 120.184 119.950 -0.034 0.000 2.602 201 F HA 0.224 4.766 4.527 0.024 0.000 0.367 201 F C 1.600 177.265 175.800 -0.226 0.000 1.126 201 F CA 0.130 57.971 58.000 -0.265 0.000 1.321 201 F CB 0.485 39.039 39.000 -0.744 0.000 1.094 201 F HN 0.036 nan 8.300 nan 0.000 0.594 202 N N 0.737 119.412 118.700 -0.042 0.000 2.454 202 N HA -0.002 4.752 4.740 0.023 0.000 0.177 202 N C -0.480 174.923 175.510 -0.179 0.000 1.049 202 N CA 0.521 53.552 53.050 -0.031 0.000 0.887 202 N CB 0.234 38.738 38.487 0.029 0.000 1.095 202 N HN 0.513 nan 8.380 nan 0.000 0.446 203 D N -0.268 119.925 120.400 -0.344 0.000 2.342 203 D HA 0.416 5.070 4.640 0.023 0.000 0.243 203 D C -0.695 175.168 176.300 -0.728 0.000 1.019 203 D CA -0.233 53.562 54.000 -0.342 0.000 0.864 203 D CB 1.629 42.335 40.800 -0.157 0.000 1.315 203 D HN -0.155 nan 8.370 nan 0.000 0.468 204 F N 0.217 120.010 119.950 -0.261 0.000 2.603 204 F HA 0.443 4.983 4.527 0.023 0.000 0.317 204 F C 0.269 175.872 175.800 -0.330 0.000 1.066 204 F CA -0.957 56.836 58.000 -0.344 0.000 0.941 204 F CB 2.377 41.170 39.000 -0.345 0.000 1.291 204 F HN -0.051 nan 8.300 nan 0.000 0.472 205 K N 2.029 122.332 120.400 -0.161 0.000 2.482 205 K HA 0.678 5.012 4.320 0.023 0.000 0.251 205 K C -2.266 174.195 176.600 -0.232 0.000 0.936 205 K CA -0.788 55.317 56.287 -0.303 0.000 0.791 205 K CB 2.186 34.342 32.500 -0.573 0.000 1.213 205 K HN 0.611 nan 8.250 nan 0.000 0.428 206 L N 3.661 124.754 121.223 -0.216 0.000 2.313 206 L HA 0.476 4.830 4.340 0.023 0.000 0.283 206 L C -0.924 175.818 176.870 -0.214 0.000 1.013 206 L CA -0.356 54.358 54.840 -0.211 0.000 0.816 206 L CB 1.321 43.257 42.059 -0.206 0.000 1.236 206 L HN 0.602 nan 8.230 nan 0.000 0.419 207 K N 3.557 123.772 120.400 -0.308 0.000 2.349 207 K HA 0.613 4.948 4.320 0.023 0.000 0.288 207 K C 0.164 176.744 176.600 -0.033 0.000 1.058 207 K CA 0.372 56.504 56.287 -0.258 0.000 0.953 207 K CB 0.671 32.730 32.500 -0.736 0.000 0.997 207 K HN 0.825 nan 8.250 nan 0.000 0.477 208 G N 1.692 110.516 108.800 0.041 0.000 2.890 208 G HA2 0.469 4.443 3.960 0.023 0.000 0.189 208 G HA3 0.469 4.443 3.960 0.023 0.000 0.189 208 G C 0.330 175.320 174.900 0.149 0.000 1.342 208 G CA -0.586 44.621 45.100 0.179 0.000 1.026 208 G HN 1.087 nan 8.290 nan 0.000 0.579 209 G N -2.432 106.448 108.800 0.134 0.000 2.160 209 G HA2 -0.166 3.808 3.960 0.023 0.000 0.251 209 G HA3 -0.166 3.808 3.960 0.023 0.000 0.251 209 G C 0.649 175.658 174.900 0.182 0.000 1.008 209 G CA 0.836 46.007 45.100 0.118 0.000 0.724 209 G HN 1.090 nan 8.290 nan 0.000 0.514 210 V N -0.723 119.302 119.914 0.184 0.000 2.840 210 V HA 0.435 4.569 4.120 0.023 0.000 0.234 210 V C 1.636 177.742 176.094 0.020 0.000 1.159 210 V CA 1.343 63.708 62.300 0.109 0.000 1.194 210 V CB -0.072 31.814 31.823 0.105 0.000 0.971 210 V HN 0.321 nan 8.190 nan 0.000 0.494 211 L N -0.276 120.913 121.223 -0.057 0.000 2.347 211 L HA 0.765 5.119 4.340 0.023 0.000 0.268 211 L C 0.430 177.331 176.870 0.051 0.000 1.019 211 L CA -0.798 53.993 54.840 -0.082 0.000 0.806 211 L CB 0.792 42.690 42.059 -0.268 0.000 1.339 211 L HN 0.191 nan 8.230 nan 0.000 0.463 212 A N 0.082 122.916 122.820 0.023 0.000 2.540 212 A HA 0.279 4.613 4.320 0.023 0.000 0.239 212 A C 1.275 178.891 177.584 0.055 0.000 1.061 212 A CA 0.444 52.504 52.037 0.038 0.000 0.758 212 A CB 0.017 19.006 19.000 -0.017 0.000 0.991 212 A HN 0.944 nan 8.150 nan 0.000 0.502 213 G N 0.974 109.787 108.800 0.023 0.000 2.476 213 G HA2 -0.152 3.822 3.960 0.023 0.000 0.218 213 G HA3 -0.152 3.822 3.960 0.023 0.000 0.218 213 G C 1.359 176.152 174.900 -0.177 0.000 1.164 213 G CA 1.810 46.828 45.100 -0.137 0.000 0.768 213 G HN 1.156 nan 8.290 nan 0.000 0.560 214 E N 0.447 120.521 120.200 -0.210 0.000 2.204 214 E HA -0.129 4.235 4.350 0.023 0.000 0.195 214 E C 2.114 178.680 176.600 -0.055 0.000 0.990 214 E CA 1.747 58.048 56.400 -0.165 0.000 0.821 214 E CB -0.543 29.046 29.700 -0.185 0.000 0.750 214 E HN 0.757 nan 8.360 nan 0.000 0.477 215 E N -0.349 119.840 120.200 -0.019 0.000 2.076 215 E HA -0.141 4.223 4.350 0.023 0.000 0.190 215 E C 2.153 178.817 176.600 0.106 0.000 0.979 215 E CA 0.854 57.266 56.400 0.021 0.000 0.807 215 E CB -0.015 29.675 29.700 -0.016 0.000 0.761 215 E HN 0.671 nan 8.360 nan 0.000 0.454 216 E N 0.147 120.444 120.200 0.162 0.000 2.204 216 E HA -0.182 4.182 4.350 0.023 0.000 0.195 216 E C 1.930 178.698 176.600 0.281 0.000 0.990 216 E CA 0.692 57.288 56.400 0.327 0.000 0.821 216 E CB -0.071 29.889 29.700 0.433 0.000 0.750 216 E HN 0.321 nan 8.360 nan 0.000 0.477 217 A N 1.484 124.431 122.820 0.211 0.000 1.972 217 A HA -0.206 4.128 4.320 0.023 0.000 0.219 217 A C 1.917 179.638 177.584 0.228 0.000 1.169 217 A CA 1.159 53.335 52.037 0.231 0.000 0.635 217 A CB -0.185 18.972 19.000 0.262 0.000 0.810 217 A HN 0.058 nan 8.150 nan 0.000 0.446 218 E N 0.107 120.426 120.200 0.197 0.000 2.150 218 E HA -0.080 4.284 4.350 0.023 0.000 0.193 218 E C 2.228 178.909 176.600 0.135 0.000 0.985 218 E CA 1.151 57.651 56.400 0.166 0.000 0.814 218 E CB -0.452 29.324 29.700 0.126 0.000 0.752 218 E HN 0.538 nan 8.360 nan 0.000 0.466 219 S N 0.657 116.455 115.700 0.164 0.000 2.383 219 S HA -0.068 4.416 4.470 0.023 0.000 0.227 219 S C 1.888 176.527 174.600 0.066 0.000 1.026 219 S CA 0.445 58.721 58.200 0.128 0.000 0.981 219 S CB 0.014 63.320 63.200 0.178 0.000 0.818 219 S HN 0.167 nan 8.310 nan 0.000 0.472 220 I N 1.197 121.814 120.570 0.079 0.000 2.252 220 I HA -0.079 4.105 4.170 0.023 0.000 0.245 220 I C 2.273 178.399 176.117 0.014 0.000 1.102 220 I CA 1.000 62.320 61.300 0.034 0.000 1.385 220 I CB -1.506 36.525 38.000 0.051 0.000 1.064 220 I HN 0.146 nan 8.210 nan 0.000 0.414 221 V N 1.523 121.451 119.914 0.022 0.000 2.343 221 V HA -0.266 3.868 4.120 0.023 0.000 0.247 221 V C 2.859 178.955 176.094 0.002 0.000 1.051 221 V CA 1.847 64.140 62.300 -0.011 0.000 1.036 221 V CB -1.187 30.638 31.823 0.004 0.000 0.654 221 V HN 0.450 nan 8.190 nan 0.000 0.451 222 A N -0.267 122.567 122.820 0.022 0.000 1.877 222 A HA -0.164 4.170 4.320 0.023 0.000 0.216 222 A C 2.234 179.821 177.584 0.005 0.000 1.186 222 A CA 1.856 53.901 52.037 0.012 0.000 0.620 222 A CB -0.557 18.459 19.000 0.027 0.000 0.822 222 A HN 0.495 nan 8.150 nan 0.000 0.443 223 L N -0.829 120.402 121.223 0.014 0.000 2.046 223 L HA -0.215 4.139 4.340 0.023 0.000 0.208 223 L C 3.123 180.048 176.870 0.093 0.000 1.077 223 L CA 1.131 55.997 54.840 0.043 0.000 0.747 223 L CB -0.578 41.460 42.059 -0.036 0.000 0.896 223 L HN 0.452 nan 8.230 nan 0.000 0.432 224 A N -0.572 122.272 122.820 0.040 0.000 1.933 224 A HA -0.250 4.084 4.320 0.023 0.000 0.218 224 A C 2.214 179.809 177.584 0.018 0.000 1.175 224 A CA 1.582 53.642 52.037 0.039 0.000 0.628 224 A CB -0.427 18.572 19.000 -0.002 0.000 0.814 224 A HN 0.495 nan 8.150 nan 0.000 0.444 225 Q N -1.321 118.470 119.800 -0.015 0.000 2.046 225 Q HA -0.185 4.169 4.340 0.023 0.000 0.200 225 Q C 2.387 178.325 176.000 -0.103 0.000 0.975 225 Q CA 1.562 57.337 55.803 -0.047 0.000 0.836 225 Q CB -0.184 28.526 28.738 -0.046 0.000 0.896 225 Q HN 0.551 nan 8.270 nan 0.000 0.428 226 R N 0.414 120.824 120.500 -0.151 0.000 2.081 226 R HA -0.076 4.278 4.340 0.023 0.000 0.235 226 R C -0.127 175.801 176.300 -0.620 0.000 1.131 226 R CA 1.271 57.129 56.100 -0.403 0.000 0.960 226 R CB 0.029 30.038 30.300 -0.484 0.000 0.856 226 R HN 0.086 nan 8.270 nan 0.000 0.436 227 F N 1.272 121.165 119.950 -0.096 0.000 2.449 227 F HA 0.386 4.927 4.527 0.024 0.000 0.344 227 F C -1.576 174.206 175.800 -0.030 0.000 1.180 227 F CA -2.297 55.663 58.000 -0.067 0.000 1.209 227 F CB 1.898 40.882 39.000 -0.026 0.000 1.440 227 F HN 0.033 nan 8.300 nan 0.000 0.526 228 P HA -0.178 nan 4.420 nan 0.000 0.223 228 P C 0.840 178.177 177.300 0.063 0.000 1.144 228 P CA 1.273 64.400 63.100 0.045 0.000 0.783 228 P CB 0.462 32.163 31.700 0.002 0.000 0.771 229 Q N -0.873 118.982 119.800 0.092 0.000 2.282 229 Q HA 0.324 4.678 4.340 0.023 0.000 0.206 229 Q C 0.792 176.849 176.000 0.095 0.000 0.878 229 Q CA -0.108 55.743 55.803 0.080 0.000 0.944 229 Q CB 0.034 28.815 28.738 0.072 0.000 1.100 229 Q HN 0.164 nan 8.270 nan 0.000 0.509 230 A N 0.677 123.580 122.820 0.138 0.000 2.371 230 A HA 0.415 4.749 4.320 0.023 0.000 0.257 230 A C -0.323 177.306 177.584 0.076 0.000 1.089 230 A CA -0.273 51.838 52.037 0.124 0.000 0.794 230 A CB 0.378 19.511 19.000 0.222 0.000 1.029 230 A HN 0.193 nan 8.150 nan 0.000 0.488 231 R N 0.877 121.403 120.500 0.042 0.000 2.254 231 R HA 0.561 4.915 4.340 0.023 0.000 0.318 231 R C -0.987 175.300 176.300 -0.021 0.000 1.031 231 R CA 0.134 56.251 56.100 0.028 0.000 0.905 231 R CB 0.668 31.005 30.300 0.061 0.000 1.050 231 R HN 0.683 nan 8.270 nan 0.000 0.456 232 I N 0.810 121.332 120.570 -0.079 0.000 2.730 232 I HA 0.357 4.541 4.170 0.023 0.000 0.298 232 I C -0.068 175.849 176.117 -0.334 0.000 1.089 232 I CA -0.633 60.580 61.300 -0.146 0.000 1.041 232 I CB 2.564 40.529 38.000 -0.060 0.000 1.235 232 I HN 0.468 nan 8.210 nan 0.000 0.423 233 T N 4.756 119.064 114.554 -0.410 0.000 2.896 233 T HA 0.704 5.068 4.350 0.023 0.000 0.297 233 T C -1.859 172.673 174.700 -0.280 0.000 1.108 233 T CA -0.443 61.350 62.100 -0.513 0.000 1.004 233 T CB 1.713 69.972 68.868 -1.014 0.000 1.159 233 T HN 0.374 nan 8.240 nan 0.000 0.499 234 L N 3.035 124.146 121.223 -0.185 0.000 2.365 234 L HA 0.788 5.142 4.340 0.023 0.000 0.273 234 L C -1.434 175.352 176.870 -0.139 0.000 1.000 234 L CA -0.353 54.431 54.840 -0.092 0.000 0.819 234 L CB 1.962 44.061 42.059 0.066 0.000 1.284 234 L HN 0.650 nan 8.230 nan 0.000 0.418 235 D N 5.997 126.308 120.400 -0.148 0.000 2.420 235 D HA 0.446 5.100 4.640 0.023 0.000 0.255 235 D C -2.267 173.909 176.300 -0.207 0.000 1.185 235 D CA -1.888 52.010 54.000 -0.171 0.000 0.904 235 D CB 1.951 42.694 40.800 -0.095 0.000 1.102 235 D HN 0.387 nan 8.370 nan 0.000 0.534 236 P HA 0.113 nan 4.420 nan 0.000 0.257 236 P C -0.614 176.491 177.300 -0.325 0.000 1.281 236 P CA -0.076 62.709 63.100 -0.525 0.000 0.826 236 P CB -0.236 30.605 31.700 -1.433 0.000 1.237 237 N N 0.353 118.932 118.700 -0.201 0.000 2.714 237 N HA -0.189 4.565 4.740 0.023 0.000 0.252 237 N C 0.982 176.424 175.510 -0.112 0.000 1.014 237 N CA 0.957 53.956 53.050 -0.086 0.000 0.735 237 N CB -1.738 36.773 38.487 0.039 0.000 0.924 237 N HN 0.353 nan 8.380 nan 0.000 0.540 238 G N -1.796 106.879 108.800 -0.208 0.000 2.175 238 G HA2 -0.316 3.658 3.960 0.023 0.000 0.265 238 G HA3 -0.316 3.658 3.960 0.023 0.000 0.265 238 G C 1.174 175.995 174.900 -0.133 0.000 0.979 238 G CA 0.816 45.818 45.100 -0.164 0.000 0.663 238 G HN 0.948 nan 8.290 nan 0.000 0.533 239 A N -0.678 122.027 122.820 -0.191 0.000 1.930 239 A HA 0.244 4.578 4.320 0.023 0.000 0.217 239 A C 1.286 178.923 177.584 0.088 0.000 1.175 239 A CA 1.257 53.251 52.037 -0.072 0.000 0.627 239 A CB -0.276 18.695 19.000 -0.050 0.000 0.815 239 A HN 0.625 nan 8.150 nan 0.000 0.443 240 W N 1.257 122.557 121.300 0.001 0.000 2.170 240 W HA 0.420 5.093 4.660 0.022 0.000 0.336 240 W C 0.989 177.512 176.519 0.005 0.000 1.283 240 W CA -0.732 56.617 57.345 0.006 0.000 1.224 240 W CB -0.269 29.199 29.460 0.013 0.000 1.132 240 W HN 0.357 nan 8.180 nan 0.000 0.571 241 S N 1.538 117.386 115.700 0.246 0.000 2.608 241 S HA 0.084 4.568 4.470 0.023 0.000 0.261 241 S C 0.907 175.610 174.600 0.172 0.000 1.314 241 S CA -0.578 57.712 58.200 0.150 0.000 0.992 241 S CB 0.806 64.064 63.200 0.098 0.000 0.935 241 S HN 0.437 nan 8.310 nan 0.000 0.564 242 L N 1.568 122.871 121.223 0.133 0.000 2.046 242 L HA -0.071 4.284 4.340 0.023 0.000 0.208 242 L C 1.955 178.921 176.870 0.160 0.000 1.077 242 L CA 1.904 56.837 54.840 0.156 0.000 0.747 242 L CB -1.491 40.627 42.059 0.097 0.000 0.896 242 L HN 0.847 nan 8.230 nan 0.000 0.432 243 N N -0.909 117.850 118.700 0.098 0.000 2.188 243 N HA -0.173 4.581 4.740 0.023 0.000 0.184 243 N C 1.574 177.118 175.510 0.056 0.000 1.018 243 N CA 1.261 54.351 53.050 0.066 0.000 0.858 243 N CB -0.039 38.468 38.487 0.033 0.000 0.989 243 N HN 0.523 nan 8.380 nan 0.000 0.426 244 E N 0.863 121.094 120.200 0.050 0.000 2.072 244 E HA -0.132 4.232 4.350 0.023 0.000 0.191 244 E C 2.061 178.645 176.600 -0.026 0.000 0.985 244 E CA 0.931 57.308 56.400 -0.039 0.000 0.801 244 E CB -0.051 29.604 29.700 -0.077 0.000 0.750 244 E HN 0.364 nan 8.360 nan 0.000 0.452 245 A N 1.281 124.219 122.820 0.196 0.000 1.898 245 A HA -0.159 4.175 4.320 0.023 0.000 0.216 245 A C 2.190 180.060 177.584 0.476 0.000 1.181 245 A CA 1.023 53.317 52.037 0.429 0.000 0.620 245 A CB -0.567 18.738 19.000 0.507 0.000 0.819 245 A HN 0.130 nan 8.150 nan 0.000 0.442 246 I N -0.474 120.301 120.570 0.341 0.000 2.226 246 I HA -0.273 3.911 4.170 0.023 0.000 0.245 246 I C 2.549 178.711 176.117 0.075 0.000 1.100 246 I CA 1.887 63.274 61.300 0.145 0.000 1.374 246 I CB -0.256 37.777 38.000 0.053 0.000 1.057 246 I HN 0.419 nan 8.210 nan 0.000 0.413 247 K N 1.711 122.140 120.400 0.048 0.000 2.002 247 K HA -0.172 4.163 4.320 0.023 0.000 0.209 247 K C 2.127 178.744 176.600 0.028 0.000 1.048 247 K CA 1.605 57.895 56.287 0.004 0.000 0.930 247 K CB -0.099 32.370 32.500 -0.050 0.000 0.714 247 K HN 0.225 nan 8.250 nan 0.000 0.438 248 I N 0.704 121.268 120.570 -0.010 0.000 2.315 248 I HA -0.160 4.024 4.170 0.023 0.000 0.248 248 I C 2.457 178.682 176.117 0.181 0.000 1.117 248 I CA 1.226 62.535 61.300 0.014 0.000 1.404 248 I CB -0.554 37.269 38.000 -0.296 0.000 1.071 248 I HN 0.423 nan 8.210 nan 0.000 0.419 249 G N 0.992 109.938 108.800 0.243 0.000 2.421 249 G HA2 -0.222 3.752 3.960 0.023 0.000 0.216 249 G HA3 -0.222 3.752 3.960 0.023 0.000 0.216 249 G C 1.738 176.701 174.900 0.104 0.000 1.171 249 G CA 0.520 45.771 45.100 0.253 0.000 0.775 249 G HN 0.303 nan 8.290 nan 0.000 0.543 250 K N -0.770 119.666 120.400 0.061 0.000 2.097 250 K HA -0.086 4.248 4.320 0.023 0.000 0.206 250 K C 2.153 178.801 176.600 0.081 0.000 1.049 250 K CA 1.141 57.449 56.287 0.036 0.000 0.933 250 K CB -0.314 32.199 32.500 0.021 0.000 0.717 250 K HN 0.496 nan 8.250 nan 0.000 0.442 251 Y N 1.132 121.429 120.300 -0.005 0.000 2.200 251 Y HA -0.124 4.440 4.550 0.023 0.000 0.290 251 Y C 1.508 177.414 175.900 0.010 0.000 1.137 251 Y CA 1.189 59.285 58.100 -0.006 0.000 1.163 251 Y CB 0.144 38.592 38.460 -0.020 0.000 0.988 251 Y HN -0.076 nan 8.280 nan 0.000 0.518 252 L N 0.635 121.807 121.223 -0.086 0.000 2.611 252 L HA 0.018 4.372 4.340 0.023 0.000 0.229 252 L C 1.982 178.808 176.870 -0.075 0.000 1.137 252 L CA 0.122 54.872 54.840 -0.149 0.000 0.901 252 L CB -0.253 41.811 42.059 0.009 0.000 1.098 252 L HN 0.107 nan 8.230 nan 0.000 0.456 253 K N 1.708 122.080 120.400 -0.046 0.000 2.097 253 K HA -0.209 4.125 4.320 0.023 0.000 0.214 253 K C 1.753 178.335 176.600 -0.031 0.000 1.052 253 K CA 1.932 58.206 56.287 -0.023 0.000 0.932 253 K CB -0.527 31.958 32.500 -0.024 0.000 0.716 253 K HN 0.291 nan 8.250 nan 0.000 0.455 254 G N -1.988 106.774 108.800 -0.063 0.000 3.042 254 G HA2 0.012 3.986 3.960 0.023 0.000 0.212 254 G HA3 0.012 3.986 3.960 0.023 0.000 0.212 254 G C 0.900 175.770 174.900 -0.050 0.000 1.166 254 G CA 0.376 45.447 45.100 -0.049 0.000 0.767 254 G HN 0.304 nan 8.290 nan 0.000 0.546 255 S N -0.497 115.166 115.700 -0.062 0.000 2.564 255 S HA 0.313 4.797 4.470 0.023 0.000 0.231 255 S C 0.673 175.252 174.600 -0.035 0.000 1.067 255 S CA -0.365 57.805 58.200 -0.051 0.000 0.908 255 S CB 0.321 63.474 63.200 -0.079 0.000 0.809 255 S HN 0.141 nan 8.310 nan 0.000 0.491 256 L N 1.562 122.768 121.223 -0.029 0.000 2.326 256 L HA 0.469 4.823 4.340 0.023 0.000 0.278 256 L C 1.201 178.059 176.870 -0.021 0.000 1.092 256 L CA -0.518 54.297 54.840 -0.042 0.000 0.810 256 L CB 1.119 43.174 42.059 -0.005 0.000 1.153 256 L HN 0.181 nan 8.230 nan 0.000 0.439 257 A N 3.715 126.498 122.820 -0.062 0.000 1.975 257 A HA 0.107 4.441 4.320 0.023 0.000 0.215 257 A C 0.160 177.856 177.584 0.187 0.000 1.170 257 A CA 0.951 53.022 52.037 0.057 0.000 0.656 257 A CB 0.049 19.105 19.000 0.093 0.000 0.821 257 A HN 0.741 nan 8.150 nan 0.000 0.449 258 Y N -5.084 115.238 120.300 0.036 0.000 2.713 258 Y HA 0.657 5.222 4.550 0.024 0.000 0.335 258 Y C -0.740 175.199 175.900 0.066 0.000 1.222 258 Y CA -1.485 56.649 58.100 0.056 0.000 1.061 258 Y CB 0.595 39.070 38.460 0.026 0.000 1.314 258 Y HN 0.187 nan 8.280 nan 0.000 0.453 259 A N 1.436 124.415 122.820 0.266 0.000 2.291 259 A HA 0.536 4.870 4.320 0.023 0.000 0.311 259 A C -0.935 176.716 177.584 0.113 0.000 1.224 259 A CA -0.637 51.480 52.037 0.133 0.000 0.821 259 A CB 0.813 19.938 19.000 0.208 0.000 1.172 259 A HN 0.729 nan 8.150 nan 0.000 0.494 260 E N 2.976 123.200 120.200 0.039 0.000 2.130 260 E HA 0.203 4.567 4.350 0.023 0.000 0.284 260 E C -0.726 175.807 176.600 -0.111 0.000 1.018 260 E CA -0.455 55.965 56.400 0.034 0.000 0.817 260 E CB 0.279 30.014 29.700 0.058 0.000 1.078 260 E HN 0.660 nan 8.360 nan 0.000 0.396 261 D N 5.395 125.726 120.400 -0.116 0.000 2.755 261 D HA -0.163 4.491 4.640 0.023 0.000 0.227 261 D C -1.706 174.404 176.300 -0.316 0.000 1.211 261 D CA 0.289 54.183 54.000 -0.177 0.000 0.663 261 D CB -0.282 40.449 40.800 -0.115 0.000 0.983 261 D HN 0.525 nan 8.370 nan 0.000 0.407 262 P HA -0.095 nan 4.420 nan 0.000 0.223 262 P C 0.760 177.872 177.300 -0.313 0.000 1.151 262 P CA 0.924 63.721 63.100 -0.505 0.000 0.787 262 P CB 0.141 31.435 31.700 -0.676 0.000 0.788 263 C N -4.030 115.118 119.300 -0.254 0.000 3.321 263 C HA 0.922 5.396 4.460 0.023 0.000 0.329 263 C C 0.186 175.134 174.990 -0.069 0.000 1.394 263 C CA -0.362 58.606 59.018 -0.084 0.000 1.291 263 C CB 1.557 29.311 27.740 0.023 0.000 1.606 263 C HN 0.321 nan 8.230 nan 0.000 0.463 264 G N -0.504 108.288 108.800 -0.013 0.000 2.947 264 G HA2 0.854 4.828 3.960 0.023 0.000 0.293 264 G HA3 0.854 4.828 3.960 0.023 0.000 0.293 264 G C -0.356 174.566 174.900 0.037 0.000 1.243 264 G CA -0.130 44.971 45.100 0.001 0.000 0.802 264 G HN 1.927 nan 8.290 nan 0.000 0.560 265 A N -0.235 122.609 122.820 0.039 0.000 2.561 265 A HA 0.531 4.865 4.320 0.023 0.000 0.234 265 A C 0.360 177.985 177.584 0.069 0.000 1.055 265 A CA 1.309 53.384 52.037 0.063 0.000 0.756 265 A CB -0.441 18.582 19.000 0.038 0.000 0.986 265 A HN 1.255 nan 8.150 nan 0.000 0.505 266 E N 0.613 120.881 120.200 0.113 0.000 2.393 266 E HA 0.343 4.707 4.350 0.023 0.000 0.282 266 E C -0.693 176.018 176.600 0.185 0.000 1.096 266 E CA -0.733 55.733 56.400 0.109 0.000 0.866 266 E CB 0.085 29.843 29.700 0.096 0.000 1.232 266 E HN 0.621 nan 8.360 nan 0.000 0.431 267 Q N 0.313 120.189 119.800 0.126 0.000 2.481 267 Q HA -0.303 4.051 4.340 0.023 0.000 0.272 267 Q C 0.832 176.831 176.000 -0.001 0.000 1.157 267 Q CA 1.289 57.173 55.803 0.134 0.000 0.935 267 Q CB -1.942 26.961 28.738 0.274 0.000 1.338 267 Q HN 1.480 nan 8.270 nan 0.000 0.494 268 G N -1.522 107.232 108.800 -0.077 0.000 2.199 268 G HA2 -0.328 3.647 3.960 0.023 0.000 0.254 268 G HA3 -0.328 3.647 3.960 0.023 0.000 0.254 268 G C -0.099 174.587 174.900 -0.357 0.000 0.982 268 G CA 0.287 45.236 45.100 -0.251 0.000 0.632 268 G HN 0.316 nan 8.290 nan 0.000 0.529 269 F N 2.276 122.225 119.950 -0.001 0.000 2.399 269 F HA 0.629 5.166 4.527 0.016 0.000 0.334 269 F C 1.253 177.051 175.800 -0.003 0.000 1.097 269 F CA -0.196 57.804 58.000 0.000 0.000 1.076 269 F CB 1.559 40.567 39.000 0.013 0.000 1.162 269 F HN 0.253 nan 8.300 nan 0.000 0.495 270 S N 0.986 116.783 115.700 0.162 0.000 2.624 270 S HA 0.330 4.814 4.470 0.023 0.000 0.263 270 S C 1.347 176.007 174.600 0.100 0.000 1.287 270 S CA -0.302 57.950 58.200 0.085 0.000 0.990 270 S CB 1.097 64.320 63.200 0.039 0.000 0.950 270 S HN 0.859 nan 8.310 nan 0.000 0.561 271 G N 0.546 109.383 108.800 0.060 0.000 2.432 271 G HA2 -0.164 3.810 3.960 0.023 0.000 0.219 271 G HA3 -0.164 3.810 3.960 0.023 0.000 0.219 271 G C 1.544 176.480 174.900 0.061 0.000 1.135 271 G CA 0.412 45.542 45.100 0.050 0.000 0.767 271 G HN 0.778 nan 8.290 nan 0.000 0.550 272 R N 0.293 120.836 120.500 0.072 0.000 2.075 272 R HA 0.018 4.372 4.340 0.023 0.000 0.232 272 R C 2.548 178.903 176.300 0.092 0.000 1.126 272 R CA 1.398 57.550 56.100 0.086 0.000 0.963 272 R CB -0.243 30.120 30.300 0.105 0.000 0.858 272 R HN 0.444 nan 8.270 nan 0.000 0.435 273 E N 0.086 120.349 120.200 0.104 0.000 2.072 273 E HA -0.148 4.216 4.350 0.023 0.000 0.191 273 E C 2.024 178.655 176.600 0.052 0.000 0.985 273 E CA 1.336 57.799 56.400 0.104 0.000 0.801 273 E CB 0.018 29.838 29.700 0.200 0.000 0.750 273 E HN 0.085 nan 8.360 nan 0.000 0.452 274 V N 1.153 121.106 119.914 0.064 0.000 2.307 274 V HA -0.259 3.875 4.120 0.023 0.000 0.245 274 V C 2.294 178.439 176.094 0.085 0.000 1.045 274 V CA 1.651 63.974 62.300 0.039 0.000 1.024 274 V CB -0.353 31.508 31.823 0.063 0.000 0.651 274 V HN 0.305 nan 8.190 nan 0.000 0.449 275 M N -0.392 119.260 119.600 0.087 0.000 2.279 275 M HA -0.130 4.364 4.480 0.023 0.000 0.264 275 M C 2.233 178.642 176.300 0.181 0.000 1.062 275 M CA 1.742 57.114 55.300 0.121 0.000 1.099 275 M CB -0.411 32.224 32.600 0.058 0.000 1.394 275 M HN 0.431 nan 8.290 nan 0.000 0.426 276 A N 0.139 123.032 122.820 0.121 0.000 1.930 276 A HA -0.163 4.171 4.320 0.023 0.000 0.217 276 A C 1.864 179.503 177.584 0.091 0.000 1.175 276 A CA 1.559 53.659 52.037 0.105 0.000 0.627 276 A CB -0.510 18.535 19.000 0.076 0.000 0.815 276 A HN 0.505 nan 8.150 nan 0.000 0.443 277 E N -1.253 118.990 120.200 0.071 0.000 2.047 277 E HA -0.145 4.219 4.350 0.023 0.000 0.191 277 E C 1.740 178.384 176.600 0.074 0.000 0.987 277 E CA 1.249 57.669 56.400 0.033 0.000 0.799 277 E CB -0.289 29.395 29.700 -0.027 0.000 0.752 277 E HN 0.712 nan 8.360 nan 0.000 0.449 278 F N 2.063 122.019 119.950 0.010 0.000 2.095 278 F HA -0.238 4.300 4.527 0.018 0.000 0.298 278 F C 2.421 178.246 175.800 0.041 0.000 1.104 278 F CA 1.847 59.868 58.000 0.036 0.000 1.232 278 F CB -0.101 38.936 39.000 0.061 0.000 0.987 278 F HN -0.210 nan 8.300 nan 0.000 0.475 279 R N 0.379 121.000 120.500 0.201 0.000 2.083 279 R HA -0.225 4.129 4.340 0.023 0.000 0.237 279 R C 2.639 178.901 176.300 -0.062 0.000 1.137 279 R CA 1.990 58.142 56.100 0.086 0.000 0.951 279 R CB -0.501 29.910 30.300 0.186 0.000 0.851 279 R HN 0.357 nan 8.270 nan 0.000 0.434 280 R N -0.315 120.167 120.500 -0.030 0.000 2.115 280 R HA -0.049 4.305 4.340 0.023 0.000 0.230 280 R C 2.000 178.247 176.300 -0.089 0.000 1.111 280 R CA 1.307 57.380 56.100 -0.044 0.000 0.976 280 R CB -0.175 30.114 30.300 -0.018 0.000 0.870 280 R HN 0.339 nan 8.270 nan 0.000 0.445 281 A N -0.144 122.596 122.820 -0.133 0.000 1.968 281 A HA -0.104 4.230 4.320 0.023 0.000 0.217 281 A C 2.054 179.519 177.584 -0.199 0.000 1.169 281 A CA 1.744 53.693 52.037 -0.146 0.000 0.638 281 A CB -0.424 18.495 19.000 -0.134 0.000 0.812 281 A HN 0.590 nan 8.150 nan 0.000 0.446 282 T N -5.383 108.968 114.554 -0.338 0.000 3.040 282 T HA 0.398 4.762 4.350 0.023 0.000 0.252 282 T C 1.489 176.077 174.700 -0.186 0.000 1.064 282 T CA 1.175 63.081 62.100 -0.323 0.000 1.110 282 T CB 0.043 68.546 68.868 -0.609 0.000 0.921 282 T HN 1.662 nan 8.240 nan 0.000 0.480 283 G N 1.445 110.153 108.800 -0.154 0.000 2.143 283 G HA2 -0.191 3.783 3.960 0.023 0.000 0.248 283 G HA3 -0.191 3.783 3.960 0.023 0.000 0.248 283 G C -0.129 174.755 174.900 -0.027 0.000 0.991 283 G CA 0.244 45.305 45.100 -0.065 0.000 0.689 283 G HN 0.640 nan 8.290 nan 0.000 0.522 284 L N 0.684 121.885 121.223 -0.036 0.000 2.307 284 L HA 0.454 4.809 4.340 0.023 0.000 0.282 284 L C -1.834 175.134 176.870 0.163 0.000 1.051 284 L CA -2.265 52.621 54.840 0.077 0.000 0.804 284 L CB 1.594 43.735 42.059 0.136 0.000 1.197 284 L HN -0.122 nan 8.230 nan 0.000 0.431 285 P HA 0.121 nan 4.420 nan 0.000 0.272 285 P C -0.856 176.596 177.300 0.253 0.000 1.223 285 P CA -0.227 62.980 63.100 0.178 0.000 0.784 285 P CB 0.817 32.611 31.700 0.158 0.000 0.923 286 T N -0.918 113.753 114.554 0.194 0.000 2.908 286 T HA 0.849 5.213 4.350 0.023 0.000 0.290 286 T C -0.773 173.973 174.700 0.077 0.000 1.034 286 T CA -0.883 61.328 62.100 0.185 0.000 1.010 286 T CB 1.861 70.835 68.868 0.178 0.000 1.068 286 T HN 0.372 nan 8.240 nan 0.000 0.481 287 A N 1.054 123.921 122.820 0.079 0.000 2.479 287 A HA 0.958 5.292 4.320 0.023 0.000 0.296 287 A C -0.195 177.395 177.584 0.009 0.000 1.121 287 A CA -0.925 51.099 52.037 -0.022 0.000 0.743 287 A CB 1.994 20.938 19.000 -0.093 0.000 1.323 287 A HN 1.157 nan 8.150 nan 0.000 0.415 288 T N 0.080 114.630 114.554 -0.006 0.000 2.885 288 T HA 0.467 4.831 4.350 0.023 0.000 0.322 288 T C -1.219 173.509 174.700 0.045 0.000 1.387 288 T CA -0.133 61.977 62.100 0.017 0.000 1.041 288 T CB 0.895 69.775 68.868 0.020 0.000 1.287 288 T HN 1.008 nan 8.240 nan 0.000 0.491 289 N N 3.231 121.957 118.700 0.044 0.000 2.387 289 N HA 0.188 4.942 4.740 0.023 0.000 0.259 289 N C 0.336 175.810 175.510 -0.059 0.000 1.369 289 N CA -0.325 52.759 53.050 0.057 0.000 0.867 289 N CB 0.527 39.003 38.487 -0.019 0.000 1.341 289 N HN 0.531 nan 8.380 nan 0.000 0.495 290 M N -0.033 119.543 119.600 -0.040 0.000 2.195 290 M HA 0.302 4.796 4.480 0.023 0.000 0.243 290 M C 1.521 177.788 176.300 -0.056 0.000 1.313 290 M CA 0.314 55.566 55.300 -0.079 0.000 1.077 290 M CB 0.503 33.069 32.600 -0.056 0.000 1.664 290 M HN 0.110 nan 8.290 nan 0.000 0.584 291 I N -2.017 118.548 120.570 -0.009 0.000 3.956 291 I HA 0.513 4.698 4.170 0.023 0.000 0.333 291 I C 0.516 176.663 176.117 0.050 0.000 1.302 291 I CA -0.155 61.154 61.300 0.015 0.000 1.122 291 I CB 0.472 38.489 38.000 0.029 0.000 1.013 291 I HN 0.029 nan 8.210 nan 0.000 0.405 292 A N 1.480 124.345 122.820 0.075 0.000 3.266 292 A HA 0.476 4.810 4.320 0.023 0.000 0.310 292 A C 0.597 178.323 177.584 0.238 0.000 1.066 292 A CA 0.074 52.200 52.037 0.148 0.000 0.839 292 A CB -0.424 18.675 19.000 0.166 0.000 1.192 292 A HN 0.367 nan 8.150 nan 0.000 0.496 293 T N -2.868 111.700 114.554 0.022 0.000 3.044 293 T HA 0.386 4.750 4.350 0.023 0.000 0.260 293 T C 0.064 174.275 174.700 -0.815 0.000 1.019 293 T CA 0.653 62.642 62.100 -0.185 0.000 0.921 293 T CB -0.329 68.293 68.868 -0.410 0.000 1.053 293 T HN 0.620 nan 8.240 nan 0.000 0.533 294 D N -1.596 118.404 120.400 -0.667 0.000 2.643 294 D HA 0.282 4.937 4.640 0.023 0.000 0.283 294 D C -0.039 176.072 176.300 -0.316 0.000 1.242 294 D CA -1.150 52.335 54.000 -0.858 0.000 0.863 294 D CB -0.040 40.511 40.800 -0.415 0.000 1.382 294 D HN 0.038 nan 8.370 nan 0.000 0.444 295 W N -0.191 121.132 121.300 0.038 0.000 2.402 295 W HA 0.083 4.751 4.660 0.013 0.000 0.286 295 W C 2.521 179.107 176.519 0.111 0.000 1.221 295 W CA 0.611 58.083 57.345 0.211 0.000 1.257 295 W CB -0.041 29.536 29.460 0.195 0.000 1.120 295 W HN 0.396 nan 8.180 nan 0.000 0.551 296 R N 0.796 121.440 120.500 0.239 0.000 2.073 296 R HA -0.208 4.146 4.340 0.023 0.000 0.234 296 R C 2.007 178.393 176.300 0.143 0.000 1.134 296 R CA 1.938 58.127 56.100 0.148 0.000 0.952 296 R CB -0.457 29.916 30.300 0.122 0.000 0.850 296 R HN 0.250 nan 8.270 nan 0.000 0.433 297 Q N -0.344 119.542 119.800 0.144 0.000 2.167 297 Q HA -0.184 4.170 4.340 0.023 0.000 0.202 297 Q C 2.032 178.142 176.000 0.183 0.000 0.970 297 Q CA 1.559 57.462 55.803 0.166 0.000 0.855 297 Q CB -0.068 28.720 28.738 0.083 0.000 0.911 297 Q HN 0.256 nan 8.270 nan 0.000 0.438 298 M N 0.272 119.996 119.600 0.206 0.000 2.159 298 M HA -0.051 4.444 4.480 0.023 0.000 0.263 298 M C 1.870 178.299 176.300 0.216 0.000 1.063 298 M CA 1.819 57.264 55.300 0.241 0.000 1.110 298 M CB -0.704 32.085 32.600 0.316 0.000 1.374 298 M HN 0.179 nan 8.290 nan 0.000 0.411 299 G N -0.711 108.185 108.800 0.161 0.000 2.446 299 G HA2 -0.250 3.724 3.960 0.023 0.000 0.217 299 G HA3 -0.250 3.724 3.960 0.023 0.000 0.217 299 G C 1.454 176.340 174.900 -0.024 0.000 1.168 299 G CA 1.200 46.321 45.100 0.035 0.000 0.771 299 G HN 0.587 nan 8.290 nan 0.000 0.551 300 H N 0.234 119.381 119.070 0.129 0.000 2.457 300 H HA -0.010 4.551 4.556 0.008 0.000 0.294 300 H C 2.861 178.249 175.328 0.100 0.000 1.064 300 H CA 1.500 57.608 56.048 0.100 0.000 1.330 300 H CB -0.550 29.263 29.762 0.086 0.000 1.395 300 H HN 0.252 nan 8.280 nan 0.000 0.541 301 T N 1.458 116.138 114.554 0.211 0.000 2.788 301 T HA -0.065 4.299 4.350 0.023 0.000 0.268 301 T C 2.396 177.180 174.700 0.141 0.000 1.044 301 T CA 0.690 62.888 62.100 0.164 0.000 1.139 301 T CB -0.179 68.781 68.868 0.154 0.000 0.867 301 T HN 0.202 nan 8.240 nan 0.000 0.454 302 L N 0.543 121.852 121.223 0.143 0.000 2.109 302 L HA -0.038 4.316 4.340 0.023 0.000 0.207 302 L C 2.848 179.764 176.870 0.077 0.000 1.086 302 L CA 0.816 55.724 54.840 0.115 0.000 0.760 302 L CB -0.553 41.585 42.059 0.132 0.000 0.910 302 L HN 0.202 nan 8.230 nan 0.000 0.437 303 S N 0.301 116.056 115.700 0.091 0.000 2.368 303 S HA -0.105 4.379 4.470 0.023 0.000 0.225 303 S C 1.891 176.540 174.600 0.081 0.000 1.030 303 S CA 1.284 59.532 58.200 0.081 0.000 0.999 303 S CB -0.218 63.052 63.200 0.118 0.000 0.844 303 S HN 0.300 nan 8.310 nan 0.000 0.459 304 L N 0.653 121.937 121.223 0.103 0.000 2.446 304 L HA 0.151 4.505 4.340 0.023 0.000 0.219 304 L C 0.371 177.287 176.870 0.077 0.000 1.116 304 L CA 0.210 55.104 54.840 0.090 0.000 0.844 304 L CB -0.409 41.713 42.059 0.105 0.000 0.970 304 L HN 0.251 nan 8.230 nan 0.000 0.457 305 Q N -0.085 119.762 119.800 0.079 0.000 2.460 305 Q HA -0.202 4.152 4.340 0.023 0.000 0.311 305 Q C 0.943 176.992 176.000 0.082 0.000 1.396 305 Q CA 0.410 56.257 55.803 0.073 0.000 0.838 305 Q CB -1.474 27.296 28.738 0.053 0.000 1.140 305 Q HN 0.464 nan 8.270 nan 0.000 0.415 306 S N -1.499 114.257 115.700 0.094 0.000 2.501 306 S HA 0.146 4.630 4.470 0.023 0.000 0.220 306 S C 0.650 175.309 174.600 0.098 0.000 0.997 306 S CA 0.324 58.583 58.200 0.099 0.000 0.919 306 S CB 0.808 64.067 63.200 0.098 0.000 0.778 306 S HN 0.283 nan 8.310 nan 0.000 0.523 307 V N 2.245 122.212 119.914 0.088 0.000 2.638 307 V HA 0.305 4.439 4.120 0.023 0.000 0.306 307 V C -0.196 175.933 176.094 0.060 0.000 1.052 307 V CA -0.739 61.604 62.300 0.071 0.000 0.885 307 V CB 2.141 34.000 31.823 0.060 0.000 0.999 307 V HN 0.146 nan 8.190 nan 0.000 0.424 308 D N 3.080 123.505 120.400 0.043 0.000 2.277 308 D HA 0.205 4.859 4.640 0.023 0.000 0.209 308 D C 0.340 176.625 176.300 -0.025 0.000 0.970 308 D CA 1.203 55.218 54.000 0.025 0.000 0.874 308 D CB 1.119 41.936 40.800 0.028 0.000 0.982 308 D HN 0.399 nan 8.370 nan 0.000 0.504 309 I N 2.440 122.961 120.570 -0.083 0.000 2.464 309 I HA 0.217 4.401 4.170 0.023 0.000 0.277 309 I C -2.690 173.331 176.117 -0.161 0.000 1.040 309 I CA -1.955 59.241 61.300 -0.174 0.000 1.153 309 I CB 2.141 39.913 38.000 -0.380 0.000 1.274 309 I HN -0.401 nan 8.210 nan 0.000 0.469 310 P HA 0.210 nan 4.420 nan 0.000 0.282 310 P C -0.452 176.682 177.300 -0.277 0.000 1.274 310 P CA -0.103 62.916 63.100 -0.134 0.000 0.770 310 P CB 0.606 32.233 31.700 -0.121 0.000 0.867 311 L N 2.950 124.061 121.223 -0.186 0.000 2.389 311 L HA 0.344 4.698 4.340 0.023 0.000 0.265 311 L C 0.759 177.520 176.870 -0.180 0.000 1.167 311 L CA -0.565 54.124 54.840 -0.251 0.000 1.045 311 L CB 0.007 42.026 42.059 -0.067 0.000 1.351 311 L HN 0.358 nan 8.230 nan 0.000 0.419 312 A N 1.723 124.264 122.820 -0.465 0.000 2.915 312 A HA 0.070 4.404 4.320 0.023 0.000 0.292 312 A C 0.182 177.588 177.584 -0.297 0.000 1.632 312 A CA -0.475 51.266 52.037 -0.492 0.000 1.337 312 A CB -0.393 18.136 19.000 -0.784 0.000 1.111 312 A HN 0.596 nan 8.150 nan 0.000 0.569 313 D N 3.887 124.108 120.400 -0.297 0.000 2.412 313 D HA 0.044 4.698 4.640 0.023 0.000 0.257 313 D C -1.054 175.120 176.300 -0.211 0.000 1.217 313 D CA -1.702 52.114 54.000 -0.307 0.000 0.897 313 D CB 1.054 41.586 40.800 -0.446 0.000 1.132 313 D HN 0.262 nan 8.370 nan 0.000 0.493 314 P HA -0.177 nan 4.420 nan 0.000 0.219 314 P C 0.688 177.991 177.300 0.006 0.000 1.146 314 P CA 1.246 64.368 63.100 0.037 0.000 0.808 314 P CB 0.105 31.824 31.700 0.031 0.000 0.779 315 H N -0.232 118.897 119.070 0.098 0.000 2.387 315 H HA -0.079 4.491 4.556 0.023 0.000 0.299 315 H C 1.463 176.998 175.328 0.345 0.000 1.090 315 H CA 1.733 57.926 56.048 0.241 0.000 1.332 315 H CB -0.855 29.078 29.762 0.285 0.000 1.386 315 H HN 0.309 nan 8.280 nan 0.000 0.516 316 F N -4.563 115.613 119.950 0.376 0.000 2.653 316 F HA 0.296 4.836 4.527 0.021 0.000 0.304 316 F C 0.620 176.387 175.800 -0.054 0.000 1.092 316 F CA -0.971 57.061 58.000 0.052 0.000 1.279 316 F CB -0.402 38.574 39.000 -0.041 0.000 1.044 316 F HN -0.016 nan 8.300 nan 0.000 0.564 317 W N 1.936 123.273 121.300 0.062 0.000 2.865 317 W HA 0.305 4.975 4.660 0.017 0.000 0.300 317 W C 0.279 176.855 176.519 0.094 0.000 1.096 317 W CA 1.172 58.559 57.345 0.070 0.000 1.524 317 W CB 0.312 29.758 29.460 -0.023 0.000 0.991 317 W HN 0.224 nan 8.180 nan 0.000 0.571 318 T N -3.003 111.723 114.554 0.288 0.000 0.541 318 T HA -0.301 4.063 4.350 0.023 0.000 0.774 318 T C 0.424 175.235 174.700 0.185 0.000 0.992 318 T CA 0.448 62.672 62.100 0.206 0.000 4.077 318 T CB -0.850 68.145 68.868 0.211 0.000 2.303 318 T HN 0.093 nan 8.240 nan 0.000 0.398 319 M N 1.314 120.988 119.600 0.124 0.000 2.086 319 M HA -0.104 4.390 4.480 0.023 0.000 0.261 319 M C 2.747 179.114 176.300 0.112 0.000 1.067 319 M CA 2.484 57.843 55.300 0.099 0.000 1.116 319 M CB -0.507 32.130 32.600 0.061 0.000 1.348 319 M HN 0.765 nan 8.290 nan 0.000 0.407 320 Q N -0.216 119.665 119.800 0.134 0.000 2.167 320 Q HA -0.065 4.289 4.340 0.023 0.000 0.202 320 Q C 2.235 178.339 176.000 0.174 0.000 0.970 320 Q CA 1.281 57.163 55.803 0.131 0.000 0.855 320 Q CB -0.364 28.462 28.738 0.147 0.000 0.911 320 Q HN 0.687 nan 8.270 nan 0.000 0.438 321 G N 0.307 109.262 108.800 0.258 0.000 2.402 321 G HA2 -0.265 3.709 3.960 0.023 0.000 0.216 321 G HA3 -0.265 3.709 3.960 0.023 0.000 0.216 321 G C 1.460 176.520 174.900 0.268 0.000 1.162 321 G CA 0.866 46.212 45.100 0.409 0.000 0.777 321 G HN 0.339 nan 8.290 nan 0.000 0.539 322 S N -0.289 115.514 115.700 0.172 0.000 2.382 322 S HA -0.099 4.385 4.470 0.023 0.000 0.228 322 S C 2.482 177.074 174.600 -0.013 0.000 1.027 322 S CA 1.502 59.727 58.200 0.041 0.000 0.991 322 S CB -0.245 63.051 63.200 0.160 0.000 0.823 322 S HN 0.104 nan 8.310 nan 0.000 0.469 323 V N 2.087 121.973 119.914 -0.047 0.000 2.427 323 V HA -0.075 4.059 4.120 0.023 0.000 0.248 323 V C 2.733 178.746 176.094 -0.136 0.000 1.051 323 V CA 1.709 63.892 62.300 -0.195 0.000 1.048 323 V CB -0.674 31.075 31.823 -0.122 0.000 0.666 323 V HN 0.430 nan 8.190 nan 0.000 0.456 324 R N -0.365 120.150 120.500 0.025 0.000 2.105 324 R HA -0.134 4.220 4.340 0.023 0.000 0.239 324 R C 2.224 178.604 176.300 0.134 0.000 1.135 324 R CA 1.483 57.646 56.100 0.106 0.000 0.967 324 R CB -0.454 30.008 30.300 0.269 0.000 0.861 324 R HN 0.430 nan 8.270 nan 0.000 0.442 325 V N 0.674 120.625 119.914 0.062 0.000 2.427 325 V HA -0.210 3.924 4.120 0.023 0.000 0.248 325 V C 2.439 178.515 176.094 -0.031 0.000 1.051 325 V CA 1.834 64.092 62.300 -0.070 0.000 1.048 325 V CB -0.632 30.892 31.823 -0.498 0.000 0.666 325 V HN 0.379 nan 8.190 nan 0.000 0.456 326 A N -0.698 121.984 122.820 -0.231 0.000 1.933 326 A HA -0.280 4.054 4.320 0.023 0.000 0.218 326 A C 2.187 179.635 177.584 -0.226 0.000 1.175 326 A CA 1.907 53.640 52.037 -0.507 0.000 0.628 326 A CB -0.412 17.826 19.000 -1.269 0.000 0.814 326 A HN 0.635 nan 8.150 nan 0.000 0.444 327 Q N -1.328 118.365 119.800 -0.177 0.000 2.079 327 Q HA -0.096 4.258 4.340 0.023 0.000 0.200 327 Q C 2.215 178.147 176.000 -0.113 0.000 0.974 327 Q CA 1.440 57.181 55.803 -0.104 0.000 0.840 327 Q CB -0.271 28.409 28.738 -0.096 0.000 0.898 327 Q HN 0.790 nan 8.270 nan 0.000 0.430 328 M N 0.109 119.612 119.600 -0.162 0.000 2.159 328 M HA -0.209 4.285 4.480 0.023 0.000 0.263 328 M C 1.910 178.033 176.300 -0.294 0.000 1.063 328 M CA 1.376 56.446 55.300 -0.384 0.000 1.110 328 M CB -0.142 32.309 32.600 -0.249 0.000 1.374 328 M HN 0.350 nan 8.290 nan 0.000 0.411 329 C N -0.154 119.114 119.300 -0.053 0.000 2.432 329 C HA -0.176 4.298 4.460 0.023 0.000 0.277 329 C C 2.659 177.707 174.990 0.097 0.000 1.249 329 C CA 1.513 60.572 59.018 0.067 0.000 1.725 329 C CB -1.576 26.247 27.740 0.139 0.000 2.028 329 C HN 0.694 nan 8.230 nan 0.000 0.477 330 H N 1.129 120.182 119.070 -0.028 0.000 2.353 330 H HA -0.101 4.470 4.556 0.025 0.000 0.300 330 H C 1.989 177.319 175.328 0.004 0.000 1.090 330 H CA 2.062 58.102 56.048 -0.014 0.000 1.327 330 H CB -0.252 29.480 29.762 -0.049 0.000 1.383 330 H HN 0.539 nan 8.280 nan 0.000 0.508 331 E N -1.075 119.052 120.200 -0.122 0.000 2.204 331 E HA -0.091 4.273 4.350 0.023 0.000 0.194 331 E C 0.884 177.569 176.600 0.143 0.000 0.989 331 E CA 0.704 57.025 56.400 -0.131 0.000 0.824 331 E CB 0.091 29.678 29.700 -0.188 0.000 0.756 331 E HN 0.439 nan 8.360 nan 0.000 0.477 332 F N -0.957 118.980 119.950 -0.022 0.000 2.695 332 F HA 0.333 4.892 4.527 0.054 0.000 0.303 332 F C 1.571 177.369 175.800 -0.005 0.000 1.091 332 F CA 0.404 58.403 58.000 -0.003 0.000 1.300 332 F CB 0.596 39.615 39.000 0.032 0.000 1.071 332 F HN 0.052 nan 8.300 nan 0.000 0.578 333 G N 0.678 109.576 108.800 0.162 0.000 2.141 333 G HA2 -0.249 3.725 3.960 0.023 0.000 0.231 333 G HA3 -0.249 3.725 3.960 0.023 0.000 0.231 333 G C 0.371 175.336 174.900 0.108 0.000 0.984 333 G CA 0.197 45.356 45.100 0.099 0.000 0.660 333 G HN 0.262 nan 8.290 nan 0.000 0.525 334 L N -0.308 120.997 121.223 0.136 0.000 2.642 334 L HA 0.739 5.093 4.340 0.023 0.000 0.229 334 L C 0.664 177.591 176.870 0.096 0.000 1.179 334 L CA -0.455 54.450 54.840 0.109 0.000 0.834 334 L CB 0.800 42.932 42.059 0.122 0.000 1.515 334 L HN 0.095 nan 8.230 nan 0.000 0.512 335 T N -0.838 113.755 114.554 0.064 0.000 2.881 335 T HA 0.211 4.575 4.350 0.023 0.000 0.291 335 T C -1.142 173.593 174.700 0.058 0.000 0.990 335 T CA -0.349 61.787 62.100 0.061 0.000 0.976 335 T CB 0.909 69.776 68.868 -0.001 0.000 0.970 335 T HN 0.418 nan 8.240 nan 0.000 0.438 336 W N 3.241 124.493 121.300 -0.081 0.000 2.218 336 W HA 0.601 5.273 4.660 0.019 0.000 0.326 336 W C 0.324 176.766 176.519 -0.128 0.000 1.276 336 W CA 0.405 57.681 57.345 -0.116 0.000 1.210 336 W CB 0.634 30.027 29.460 -0.112 0.000 1.143 336 W HN 0.835 nan 8.180 nan 0.000 0.563 337 G N 1.995 110.157 108.800 -1.063 0.000 2.727 337 G HA2 0.534 4.508 3.960 0.023 0.000 0.289 337 G HA3 0.534 4.508 3.960 0.023 0.000 0.289 337 G C -1.794 172.144 174.900 -1.603 0.000 1.418 337 G CA -0.791 43.656 45.100 -1.089 0.000 0.818 337 G HN 0.523 nan 8.290 nan 0.000 0.486 338 S N -1.288 113.814 115.700 -0.996 0.000 2.541 338 S HA 0.572 5.056 4.470 0.023 0.000 0.280 338 S C -1.108 173.280 174.600 -0.353 0.000 1.112 338 S CA -0.766 57.011 58.200 -0.705 0.000 0.925 338 S CB 1.322 64.159 63.200 -0.604 0.000 1.067 338 S HN 0.922 nan 8.310 nan 0.000 0.479 339 H N 1.988 120.895 119.070 -0.273 0.000 2.525 339 H HA 0.801 5.372 4.556 0.024 0.000 0.340 339 H C -0.530 174.780 175.328 -0.030 0.000 1.168 339 H CA -0.032 55.972 56.048 -0.074 0.000 1.247 339 H CB 1.717 31.541 29.762 0.103 0.000 1.568 339 H HN 0.754 nan 8.280 nan 0.000 0.536 340 S N 3.176 118.411 115.700 -0.776 0.000 2.671 340 S HA 0.468 4.952 4.470 0.023 0.000 0.277 340 S C -1.386 173.036 174.600 -0.295 0.000 1.165 340 S CA -0.981 56.996 58.200 -0.372 0.000 0.822 340 S CB 2.795 65.977 63.200 -0.030 0.000 1.150 340 S HN 0.700 nan 8.310 nan 0.000 0.479 341 D N 0.183 120.478 120.400 -0.174 0.000 2.523 341 D HA 0.396 5.050 4.640 0.023 0.000 0.236 341 D C -1.137 174.788 176.300 -0.626 0.000 1.094 341 D CA -0.601 53.108 54.000 -0.485 0.000 0.942 341 D CB 1.419 42.104 40.800 -0.192 0.000 1.447 341 D HN 0.669 nan 8.370 nan 0.000 0.479 342 N N 0.784 118.911 118.700 -0.954 0.000 2.294 342 N HA 0.108 4.862 4.740 0.023 0.000 0.263 342 N C -0.444 174.736 175.510 -0.551 0.000 1.281 342 N CA 0.953 53.483 53.050 -0.867 0.000 0.846 342 N CB 0.091 37.856 38.487 -1.204 0.000 1.061 342 N HN 0.388 nan 8.380 nan 0.000 0.478 343 H N -0.526 118.357 119.070 -0.312 0.000 2.960 343 H HA 0.602 5.172 4.556 0.024 0.000 0.338 343 H C -1.217 174.193 175.328 0.138 0.000 1.261 343 H CA -1.015 55.053 56.048 0.033 0.000 1.136 343 H CB 0.517 30.349 29.762 0.116 0.000 1.875 343 H HN 0.264 nan 8.280 nan 0.000 0.550 344 F N -0.066 120.184 119.950 0.500 0.000 2.450 344 F HA 0.168 4.709 4.527 0.023 0.000 0.361 344 F C 1.375 177.195 175.800 0.033 0.000 1.092 344 F CA -0.404 57.837 58.000 0.401 0.000 1.105 344 F CB 0.730 39.911 39.000 0.302 0.000 1.458 344 F HN 0.799 nan 8.300 nan 0.000 0.496 345 D N -0.308 120.081 120.400 -0.018 0.000 2.371 345 D HA -0.086 4.568 4.640 0.023 0.000 0.221 345 D C 1.718 177.793 176.300 -0.376 0.000 0.986 345 D CA 1.083 54.783 54.000 -0.500 0.000 0.899 345 D CB -0.400 40.151 40.800 -0.414 0.000 0.902 345 D HN 0.435 nan 8.370 nan 0.000 0.530 346 I N 0.442 120.930 120.570 -0.138 0.000 2.277 346 I HA -0.189 3.995 4.170 0.023 0.000 0.243 346 I C 2.221 178.222 176.117 -0.194 0.000 1.094 346 I CA 0.621 61.822 61.300 -0.165 0.000 1.393 346 I CB -0.141 37.833 38.000 -0.044 0.000 1.078 346 I HN -0.086 nan 8.210 nan 0.000 0.417 347 S N 1.008 116.672 115.700 -0.060 0.000 2.382 347 S HA -0.169 4.315 4.470 0.023 0.000 0.228 347 S C 1.927 176.180 174.600 -0.578 0.000 1.027 347 S CA 1.158 59.329 58.200 -0.047 0.000 0.991 347 S CB -0.378 62.930 63.200 0.181 0.000 0.823 347 S HN 0.290 nan 8.310 nan 0.000 0.469 348 L N 1.952 122.735 121.223 -0.735 0.000 2.042 348 L HA -0.100 4.254 4.340 0.023 0.000 0.210 348 L C 2.284 178.520 176.870 -1.057 0.000 1.076 348 L CA 2.043 56.174 54.840 -1.181 0.000 0.749 348 L CB -0.977 40.576 42.059 -0.844 0.000 0.893 348 L HN 0.249 nan 8.230 nan 0.000 0.432 349 A N -0.961 121.355 122.820 -0.840 0.000 1.898 349 A HA -0.194 4.140 4.320 0.023 0.000 0.216 349 A C 2.268 179.742 177.584 -0.183 0.000 1.181 349 A CA 1.871 53.533 52.037 -0.626 0.000 0.620 349 A CB -0.516 18.047 19.000 -0.727 0.000 0.819 349 A HN 0.526 nan 8.150 nan 0.000 0.442 350 M N -0.742 118.704 119.600 -0.257 0.000 2.073 350 M HA -0.173 4.321 4.480 0.023 0.000 0.258 350 M C 2.088 178.393 176.300 0.008 0.000 1.070 350 M CA 2.390 57.630 55.300 -0.100 0.000 1.103 350 M CB -0.666 31.865 32.600 -0.115 0.000 1.321 350 M HN 0.705 nan 8.290 nan 0.000 0.405 351 F N -1.984 117.970 119.950 0.008 0.000 2.615 351 F HA 0.111 4.653 4.527 0.025 0.000 0.297 351 F C 2.054 177.916 175.800 0.104 0.000 1.124 351 F CA 0.559 58.597 58.000 0.062 0.000 1.451 351 F CB -1.426 37.609 39.000 0.058 0.000 1.103 351 F HN -0.085 nan 8.300 nan 0.000 0.569 352 T N -0.174 114.404 114.554 0.040 0.000 2.746 352 T HA -0.187 4.177 4.350 0.023 0.000 0.267 352 T C 1.445 176.163 174.700 0.030 0.000 1.039 352 T CA 2.261 64.415 62.100 0.091 0.000 1.142 352 T CB -0.495 68.410 68.868 0.061 0.000 0.866 352 T HN 0.476 nan 8.240 nan 0.000 0.444 353 H N -0.298 118.823 119.070 0.085 0.000 2.428 353 H HA 0.115 4.685 4.556 0.023 0.000 0.296 353 H C 2.233 177.577 175.328 0.027 0.000 1.062 353 H CA 0.744 56.821 56.048 0.048 0.000 1.350 353 H CB -0.135 29.643 29.762 0.027 0.000 1.403 353 H HN 0.093 nan 8.280 nan 0.000 0.533 354 V N 0.510 120.528 119.914 0.175 0.000 2.261 354 V HA -0.265 3.869 4.120 0.023 0.000 0.246 354 V C 2.524 178.601 176.094 -0.029 0.000 1.047 354 V CA 1.791 64.147 62.300 0.095 0.000 1.015 354 V CB -0.872 31.066 31.823 0.192 0.000 0.642 354 V HN 0.579 nan 8.190 nan 0.000 0.446 355 A N -0.182 122.714 122.820 0.126 0.000 1.972 355 A HA -0.077 4.257 4.320 0.023 0.000 0.219 355 A C 2.338 179.879 177.584 -0.071 0.000 1.169 355 A CA 1.826 53.897 52.037 0.056 0.000 0.635 355 A CB -0.674 18.553 19.000 0.379 0.000 0.810 355 A HN 0.593 nan 8.150 nan 0.000 0.446 356 A N -0.684 122.118 122.820 -0.031 0.000 2.070 356 A HA 0.278 4.612 4.320 0.023 0.000 0.220 356 A C 2.040 179.566 177.584 -0.095 0.000 1.159 356 A CA 1.628 53.627 52.037 -0.063 0.000 0.656 356 A CB -0.489 18.466 19.000 -0.075 0.000 0.800 356 A HN 1.069 nan 8.150 nan 0.000 0.453 357 A N -1.172 121.569 122.820 -0.132 0.000 2.348 357 A HA 0.655 4.989 4.320 0.023 0.000 0.224 357 A C 1.040 178.461 177.584 -0.272 0.000 1.227 357 A CA 0.534 52.477 52.037 -0.157 0.000 0.885 357 A CB -0.427 18.508 19.000 -0.108 0.000 0.933 357 A HN 0.826 nan 8.150 nan 0.000 0.506 358 A N 2.230 124.812 122.820 -0.397 0.000 2.354 358 A HA 0.595 4.929 4.320 0.023 0.000 0.281 358 A C -2.443 174.928 177.584 -0.354 0.000 1.174 358 A CA -1.430 50.270 52.037 -0.562 0.000 0.828 358 A CB 0.039 18.459 19.000 -0.966 0.000 1.099 358 A HN 0.276 nan 8.150 nan 0.000 0.516 359 P HA 0.477 nan 4.420 nan 0.000 0.279 359 P C 0.712 177.705 177.300 -0.512 0.000 1.252 359 P CA 1.161 64.023 63.100 -0.397 0.000 0.811 359 P CB 1.201 32.657 31.700 -0.406 0.000 1.035 360 G N -0.085 108.378 108.800 -0.561 0.000 2.598 360 G HA2 -0.022 3.952 3.960 0.023 0.000 0.244 360 G HA3 -0.022 3.952 3.960 0.023 0.000 0.244 360 G C -0.222 174.615 174.900 -0.105 0.000 1.302 360 G CA 0.070 44.945 45.100 -0.375 0.000 0.903 360 G HN 0.772 nan 8.290 nan 0.000 0.575 361 K N 0.023 120.429 120.400 0.009 0.000 2.276 361 K HA 0.699 5.033 4.320 0.023 0.000 0.285 361 K C 0.627 177.267 176.600 0.066 0.000 1.062 361 K CA 0.259 56.568 56.287 0.037 0.000 0.918 361 K CB 0.151 32.684 32.500 0.054 0.000 1.055 361 K HN 1.709 nan 8.250 nan 0.000 0.477 362 I N -1.601 119.016 120.570 0.079 0.000 2.750 362 I HA 0.667 4.851 4.170 0.023 0.000 0.308 362 I C 0.361 176.526 176.117 0.079 0.000 1.016 362 I CA -0.821 60.565 61.300 0.144 0.000 1.098 362 I CB 2.443 40.611 38.000 0.280 0.000 1.279 362 I HN 0.469 nan 8.210 nan 0.000 0.454 363 T N 2.161 116.731 114.554 0.026 0.000 2.847 363 T HA 0.597 4.961 4.350 0.023 0.000 0.279 363 T C 0.268 174.954 174.700 -0.024 0.000 0.984 363 T CA -0.168 61.911 62.100 -0.034 0.000 0.988 363 T CB 0.905 69.679 68.868 -0.157 0.000 1.040 363 T HN 0.875 nan 8.240 nan 0.000 0.528 364 A N 3.484 126.293 122.820 -0.018 0.000 2.540 364 A HA 0.380 4.714 4.320 0.023 0.000 0.239 364 A C 0.442 177.980 177.584 -0.076 0.000 1.061 364 A CA -0.332 51.691 52.037 -0.023 0.000 0.758 364 A CB -0.375 18.603 19.000 -0.037 0.000 0.991 364 A HN 0.705 nan 8.150 nan 0.000 0.502 365 I N 2.446 122.986 120.570 -0.051 0.000 2.496 365 I HA 0.083 4.268 4.170 0.023 0.000 0.285 365 I C 0.166 176.191 176.117 -0.153 0.000 1.080 365 I CA -0.234 60.996 61.300 -0.117 0.000 1.404 365 I CB 0.398 38.396 38.000 -0.004 0.000 1.403 365 I HN 0.574 nan 8.210 nan 0.000 0.539 366 D N 3.754 124.006 120.400 -0.247 0.000 2.382 366 D HA 0.380 5.034 4.640 0.023 0.000 0.245 366 D C 0.292 176.503 176.300 -0.148 0.000 1.120 366 D CA 0.541 54.407 54.000 -0.223 0.000 0.890 366 D CB 0.877 41.539 40.800 -0.230 0.000 1.201 366 D HN 0.546 nan 8.370 nan 0.000 0.433 367 T N 0.739 115.353 114.554 0.102 0.000 3.159 367 T HA 0.209 4.573 4.350 0.023 0.000 0.343 367 T C -0.441 174.559 174.700 0.500 0.000 1.364 367 T CA -0.551 61.786 62.100 0.396 0.000 1.102 367 T CB 0.617 69.819 68.868 0.557 0.000 1.263 367 T HN 0.371 nan 8.240 nan 0.000 0.477 368 H N 2.444 121.796 119.070 0.471 0.000 2.553 368 H HA 0.272 4.842 4.556 0.023 0.000 0.265 368 H C 1.552 177.033 175.328 0.255 0.000 0.964 368 H CA 0.278 56.520 56.048 0.324 0.000 1.156 368 H CB 0.217 30.003 29.762 0.041 0.000 1.411 368 H HN 0.630 nan 8.280 nan 0.000 0.558 369 W N 2.117 123.475 121.300 0.097 0.000 2.275 369 W HA -0.328 4.346 4.660 0.023 0.000 0.321 369 W C 1.587 178.141 176.519 0.059 0.000 1.269 369 W CA 1.990 59.342 57.345 0.012 0.000 1.274 369 W CB -0.191 29.386 29.460 0.195 0.000 1.141 369 W HN 0.372 nan 8.180 nan 0.000 0.493 370 I N -2.172 118.320 120.570 -0.130 0.000 2.502 370 I HA -0.267 3.917 4.170 0.023 0.000 0.258 370 I C 1.817 177.955 176.117 0.035 0.000 1.172 370 I CA 1.809 62.896 61.300 -0.354 0.000 1.430 370 I CB -1.304 36.228 38.000 -0.779 0.000 1.086 370 I HN -0.041 nan 8.210 nan 0.000 0.440 371 W N 0.927 122.315 121.300 0.147 0.000 2.518 371 W HA 0.020 4.694 4.660 0.023 0.000 0.273 371 W C 2.316 178.802 176.519 -0.055 0.000 1.247 371 W CA 0.298 57.694 57.345 0.085 0.000 1.288 371 W CB -0.182 29.252 29.460 -0.044 0.000 1.107 371 W HN 0.143 nan 8.180 nan 0.000 0.586 372 Q N -0.278 119.503 119.800 -0.031 0.000 2.378 372 Q HA 0.046 4.400 4.340 0.023 0.000 0.216 372 Q C 0.951 176.691 176.000 -0.434 0.000 0.892 372 Q CA 0.347 56.065 55.803 -0.143 0.000 0.931 372 Q CB -0.061 28.603 28.738 -0.123 0.000 1.086 372 Q HN -0.031 nan 8.270 nan 0.000 0.528 373 E N -0.246 119.455 120.200 -0.831 0.000 2.418 373 E HA 0.180 4.544 4.350 0.023 0.000 0.261 373 E C 0.779 177.264 176.600 -0.191 0.000 1.070 373 E CA 1.131 57.005 56.400 -0.877 0.000 0.931 373 E CB 0.469 29.612 29.700 -0.929 0.000 0.954 373 E HN 0.315 nan 8.360 nan 0.000 0.439 374 G N 4.518 113.273 108.800 -0.075 0.000 2.956 374 G HA2 -0.344 3.631 3.960 0.023 0.000 0.210 374 G HA3 -0.344 3.631 3.960 0.023 0.000 0.210 374 G C 0.656 175.465 174.900 -0.152 0.000 1.316 374 G CA 0.444 45.462 45.100 -0.137 0.000 0.819 374 G HN 0.688 nan 8.290 nan 0.000 0.544 375 N N 0.291 118.895 118.700 -0.160 0.000 2.204 375 N HA 0.379 5.134 4.740 0.023 0.000 0.219 375 N C 0.196 175.740 175.510 0.057 0.000 1.151 375 N CA -0.152 52.855 53.050 -0.072 0.000 0.867 375 N CB 0.554 38.962 38.487 -0.131 0.000 1.043 375 N HN 0.563 nan 8.380 nan 0.000 0.516 376 Q N 1.063 120.945 119.800 0.136 0.000 2.345 376 Q HA 0.486 4.840 4.340 0.023 0.000 0.275 376 Q C -1.286 174.990 176.000 0.461 0.000 1.063 376 Q CA -0.964 55.029 55.803 0.316 0.000 0.819 376 Q CB 2.711 31.697 28.738 0.412 0.000 1.356 376 Q HN 0.356 nan 8.270 nan 0.000 0.418 377 R N 0.804 121.589 120.500 0.475 0.000 2.824 377 R HA 0.332 4.686 4.340 0.023 0.000 0.267 377 R C -1.347 175.081 176.300 0.214 0.000 1.035 377 R CA -0.737 55.639 56.100 0.460 0.000 0.887 377 R CB 0.252 30.765 30.300 0.355 0.000 1.262 377 R HN 0.647 nan 8.270 nan 0.000 0.487 378 L N 0.387 121.680 121.223 0.117 0.000 2.817 378 L HA 0.222 4.576 4.340 0.023 0.000 0.248 378 L C 0.418 177.276 176.870 -0.020 0.000 1.133 378 L CA 0.387 55.192 54.840 -0.058 0.000 0.935 378 L CB 1.234 43.165 42.059 -0.212 0.000 1.266 378 L HN 0.923 nan 8.230 nan 0.000 0.535 379 T N -4.710 109.859 114.554 0.026 0.000 2.942 379 T HA 0.335 4.699 4.350 0.023 0.000 0.289 379 T C 0.951 175.684 174.700 0.055 0.000 1.044 379 T CA -0.809 61.301 62.100 0.016 0.000 1.023 379 T CB 2.197 71.055 68.868 -0.016 0.000 1.123 379 T HN -0.217 nan 8.240 nan 0.000 0.512 380 K N 0.738 121.169 120.400 0.050 0.000 2.026 380 K HA 0.000 4.334 4.320 0.023 0.000 0.208 380 K C 0.347 177.004 176.600 0.093 0.000 1.048 380 K CA 1.445 57.770 56.287 0.064 0.000 0.929 380 K CB -0.135 32.396 32.500 0.052 0.000 0.713 380 K HN 0.754 nan 8.250 nan 0.000 0.439 381 E N 1.178 121.445 120.200 0.110 0.000 2.518 381 E HA 0.247 4.611 4.350 0.023 0.000 0.240 381 E C -2.613 174.108 176.600 0.202 0.000 0.996 381 E CA -1.878 54.611 56.400 0.149 0.000 0.768 381 E CB 1.489 31.269 29.700 0.134 0.000 1.329 381 E HN -0.015 nan 8.360 nan 0.000 0.408 382 P HA -0.045 nan 4.420 nan 0.000 0.266 382 P C -0.554 176.950 177.300 0.340 0.000 1.195 382 P CA 0.045 63.273 63.100 0.212 0.000 0.768 382 P CB 0.304 32.226 31.700 0.370 0.000 0.838 383 F N 1.734 121.678 119.950 -0.010 0.000 2.553 383 F HA 0.097 4.638 4.527 0.023 0.000 0.356 383 F C 1.418 177.277 175.800 0.099 0.000 1.142 383 F CA 0.025 58.024 58.000 -0.002 0.000 1.322 383 F CB -0.314 38.633 39.000 -0.090 0.000 1.126 383 F HN 0.330 nan 8.300 nan 0.000 0.599 384 E N 2.413 122.779 120.200 0.278 0.000 2.221 384 E HA 0.512 4.876 4.350 0.023 0.000 0.268 384 E C -0.890 175.836 176.600 0.210 0.000 0.933 384 E CA -0.800 55.765 56.400 0.274 0.000 0.809 384 E CB 2.299 32.113 29.700 0.191 0.000 1.190 384 E HN 0.349 nan 8.360 nan 0.000 0.406 385 I N 2.433 123.152 120.570 0.247 0.000 2.321 385 I HA 0.276 4.460 4.170 0.023 0.000 0.291 385 I C -0.464 175.671 176.117 0.029 0.000 0.998 385 I CA -0.387 60.994 61.300 0.134 0.000 1.227 385 I CB 0.751 38.821 38.000 0.117 0.000 1.368 385 I HN 0.213 nan 8.210 nan 0.000 0.466 386 K N 4.209 124.584 120.400 -0.041 0.000 2.507 386 K HA 0.513 4.847 4.320 0.023 0.000 0.251 386 K C 0.332 176.863 176.600 -0.115 0.000 0.943 386 K CA -0.674 55.555 56.287 -0.096 0.000 0.794 386 K CB 2.060 34.523 32.500 -0.062 0.000 1.188 386 K HN 0.809 nan 8.250 nan 0.000 0.428 387 G N 1.602 110.302 108.800 -0.166 0.000 2.198 387 G HA2 -0.240 3.734 3.960 0.023 0.000 0.260 387 G HA3 -0.240 3.734 3.960 0.023 0.000 0.260 387 G C 0.776 175.612 174.900 -0.107 0.000 1.025 387 G CA 0.715 45.742 45.100 -0.120 0.000 0.769 387 G HN 1.225 nan 8.290 nan 0.000 0.507 388 G N -2.144 106.527 108.800 -0.215 0.000 2.168 388 G HA2 -0.203 3.771 3.960 0.023 0.000 0.263 388 G HA3 -0.203 3.771 3.960 0.023 0.000 0.263 388 G C 0.310 175.203 174.900 -0.013 0.000 0.977 388 G CA 0.920 45.930 45.100 -0.151 0.000 0.659 388 G HN 1.445 nan 8.290 nan 0.000 0.533 389 L N -0.296 120.910 121.223 -0.028 0.000 2.342 389 L HA 0.795 5.149 4.340 0.023 0.000 0.271 389 L C 0.015 176.899 176.870 0.022 0.000 1.008 389 L CA -1.383 53.464 54.840 0.012 0.000 0.818 389 L CB 2.369 44.425 42.059 -0.005 0.000 1.296 389 L HN -0.080 nan 8.230 nan 0.000 0.427 390 V N 1.714 121.652 119.914 0.040 0.000 2.487 390 V HA 0.329 4.463 4.120 0.023 0.000 0.298 390 V C -0.422 175.645 176.094 -0.045 0.000 1.028 390 V CA -0.864 61.455 62.300 0.031 0.000 0.860 390 V CB 1.750 33.636 31.823 0.106 0.000 0.991 390 V HN 0.619 nan 8.190 nan 0.000 0.427 391 Q N 2.777 122.509 119.800 -0.113 0.000 2.314 391 Q HA 0.362 4.716 4.340 0.023 0.000 0.258 391 Q C -0.377 175.451 176.000 -0.285 0.000 0.954 391 Q CA -0.267 55.436 55.803 -0.168 0.000 0.890 391 Q CB 1.824 30.465 28.738 -0.163 0.000 1.210 391 Q HN 0.539 nan 8.270 nan 0.000 0.410 392 V N 5.483 125.253 119.914 -0.241 0.000 2.408 392 V HA 0.169 4.303 4.120 0.023 0.000 0.267 392 V C -1.947 173.980 176.094 -0.278 0.000 1.047 392 V CA -1.459 60.650 62.300 -0.318 0.000 0.937 392 V CB 0.609 32.288 31.823 -0.241 0.000 0.999 392 V HN 0.610 nan 8.190 nan 0.000 0.472 393 P HA 0.138 nan 4.420 nan 0.000 0.269 393 P C 0.678 177.952 177.300 -0.044 0.000 1.209 393 P CA -0.153 62.837 63.100 -0.184 0.000 0.776 393 P CB 0.835 32.437 31.700 -0.164 0.000 0.876 394 E N 1.659 121.833 120.200 -0.044 0.000 2.250 394 E HA -0.047 4.317 4.350 0.023 0.000 0.192 394 E C 0.544 177.143 176.600 -0.002 0.000 0.986 394 E CA 0.545 56.934 56.400 -0.018 0.000 0.849 394 E CB -0.051 29.631 29.700 -0.031 0.000 0.797 394 E HN 0.562 nan 8.360 nan 0.000 0.482 395 K N 1.943 122.340 120.400 -0.005 0.000 2.397 395 K HA 0.095 4.429 4.320 0.023 0.000 0.265 395 K C -2.527 174.068 176.600 -0.008 0.000 0.982 395 K CA -1.203 55.079 56.287 -0.008 0.000 0.931 395 K CB -0.351 32.145 32.500 -0.007 0.000 0.943 395 K HN -0.295 nan 8.250 nan 0.000 0.501 396 P HA 0.012 nan 4.420 nan 0.000 0.268 396 P C 0.384 177.628 177.300 -0.092 0.000 1.208 396 P CA 0.995 64.054 63.100 -0.069 0.000 0.777 396 P CB 0.549 32.195 31.700 -0.091 0.000 0.875 397 G N 0.855 109.579 108.800 -0.128 0.000 2.562 397 G HA2 -0.290 3.684 3.960 0.023 0.000 0.250 397 G HA3 -0.290 3.684 3.960 0.023 0.000 0.250 397 G C 0.640 175.389 174.900 -0.252 0.000 1.269 397 G CA -0.000 44.998 45.100 -0.170 0.000 0.919 397 G HN 0.479 nan 8.290 nan 0.000 0.574 398 L N 1.764 122.854 121.223 -0.222 0.000 2.478 398 L HA 0.313 4.667 4.340 0.023 0.000 0.223 398 L C 2.389 179.336 176.870 0.128 0.000 1.140 398 L CA 1.185 55.887 54.840 -0.230 0.000 0.842 398 L CB -0.555 41.426 42.059 -0.131 0.000 0.953 398 L HN 2.144 nan 8.230 nan 0.000 0.452 399 G N 0.881 109.734 108.800 0.087 0.000 2.160 399 G HA2 -0.225 3.749 3.960 0.023 0.000 0.244 399 G HA3 -0.225 3.749 3.960 0.023 0.000 0.244 399 G C 0.082 175.126 174.900 0.240 0.000 1.022 399 G CA 0.287 45.498 45.100 0.184 0.000 0.741 399 G HN 0.311 nan 8.290 nan 0.000 0.508 400 V N -4.076 115.906 119.914 0.114 0.000 2.960 400 V HA 0.938 5.072 4.120 0.023 0.000 0.315 400 V C -0.339 175.768 176.094 0.022 0.000 1.087 400 V CA -1.397 60.945 62.300 0.070 0.000 0.982 400 V CB 2.271 34.062 31.823 -0.053 0.000 1.039 400 V HN 0.224 nan 8.190 nan 0.000 0.437 401 E N 2.307 122.520 120.200 0.021 0.000 2.235 401 E HA 0.419 4.783 4.350 0.023 0.000 0.252 401 E C -1.082 175.516 176.600 -0.002 0.000 0.886 401 E CA -0.767 55.638 56.400 0.009 0.000 0.767 401 E CB 2.262 31.975 29.700 0.022 0.000 1.205 401 E HN 0.762 nan 8.360 nan 0.000 0.421 402 I N 2.743 123.301 120.570 -0.018 0.000 2.710 402 I HA -0.068 4.116 4.170 0.023 0.000 0.286 402 I C -0.076 176.029 176.117 -0.020 0.000 1.181 402 I CA 0.340 61.623 61.300 -0.029 0.000 1.430 402 I CB 0.418 38.393 38.000 -0.042 0.000 1.367 402 I HN 0.379 nan 8.210 nan 0.000 0.577 403 D N 8.043 128.431 120.400 -0.021 0.000 2.485 403 D HA 0.102 4.756 4.640 0.023 0.000 0.229 403 D C 0.842 177.125 176.300 -0.028 0.000 1.101 403 D CA -0.381 53.612 54.000 -0.012 0.000 0.906 403 D CB 0.767 41.571 40.800 0.007 0.000 1.019 403 D HN 0.447 nan 8.370 nan 0.000 0.516 404 M N 2.017 121.600 119.600 -0.029 0.000 2.346 404 M HA -0.129 4.365 4.480 0.023 0.000 0.263 404 M C 1.330 177.611 176.300 -0.032 0.000 1.064 404 M CA 1.081 56.358 55.300 -0.039 0.000 1.083 404 M CB -0.719 31.860 32.600 -0.035 0.000 1.399 404 M HN 0.398 nan 8.290 nan 0.000 0.435 405 D N -0.221 120.168 120.400 -0.018 0.000 2.123 405 D HA -0.149 4.505 4.640 0.023 0.000 0.200 405 D C 2.041 178.335 176.300 -0.010 0.000 0.976 405 D CA 1.039 55.033 54.000 -0.009 0.000 0.831 405 D CB 0.260 41.060 40.800 0.001 0.000 0.974 405 D HN 0.194 nan 8.370 nan 0.000 0.469 406 Q N 0.061 119.852 119.800 -0.014 0.000 2.084 406 Q HA -0.083 4.271 4.340 0.023 0.000 0.202 406 Q C 2.475 178.437 176.000 -0.063 0.000 0.978 406 Q CA 0.665 56.456 55.803 -0.019 0.000 0.844 406 Q CB -0.476 28.256 28.738 -0.009 0.000 0.898 406 Q HN 0.298 nan 8.270 nan 0.000 0.426 407 V N 1.080 120.942 119.914 -0.086 0.000 2.261 407 V HA -0.275 3.859 4.120 0.023 0.000 0.246 407 V C 2.316 178.370 176.094 -0.067 0.000 1.047 407 V CA 1.616 63.843 62.300 -0.122 0.000 1.015 407 V CB -0.505 31.246 31.823 -0.120 0.000 0.642 407 V HN 0.329 nan 8.190 nan 0.000 0.446 408 M N -0.516 119.064 119.600 -0.033 0.000 2.279 408 M HA -0.155 4.339 4.480 0.023 0.000 0.264 408 M C 2.074 178.399 176.300 0.042 0.000 1.062 408 M CA 1.522 56.836 55.300 0.024 0.000 1.099 408 M CB -1.278 31.329 32.600 0.011 0.000 1.394 408 M HN 0.308 nan 8.290 nan 0.000 0.426 409 K N 0.086 120.491 120.400 0.008 0.000 2.057 409 K HA -0.006 4.328 4.320 0.023 0.000 0.206 409 K C 1.956 178.559 176.600 0.005 0.000 1.050 409 K CA 1.311 57.605 56.287 0.011 0.000 0.935 409 K CB 0.014 32.526 32.500 0.019 0.000 0.715 409 K HN 0.252 nan 8.250 nan 0.000 0.439 410 A N -0.171 122.636 122.820 -0.021 0.000 2.014 410 A HA -0.163 4.171 4.320 0.023 0.000 0.218 410 A C 1.836 179.412 177.584 -0.013 0.000 1.163 410 A CA 1.580 53.590 52.037 -0.045 0.000 0.652 410 A CB -0.683 18.203 19.000 -0.190 0.000 0.808 410 A HN 0.483 nan 8.150 nan 0.000 0.449 411 H N 0.235 119.247 119.070 -0.097 0.000 2.357 411 H HA -0.010 4.560 4.556 0.023 0.000 0.301 411 H C 1.776 177.092 175.328 -0.020 0.000 1.082 411 H CA 1.970 57.966 56.048 -0.087 0.000 1.342 411 H CB -0.110 29.587 29.762 -0.108 0.000 1.389 411 H HN 0.581 nan 8.280 nan 0.000 0.511 412 E N -0.427 119.696 120.200 -0.128 0.000 2.204 412 E HA -0.105 4.259 4.350 0.023 0.000 0.194 412 E C 2.001 178.502 176.600 -0.165 0.000 0.989 412 E CA 0.814 57.108 56.400 -0.178 0.000 0.824 412 E CB -0.009 29.643 29.700 -0.080 0.000 0.756 412 E HN 0.347 nan 8.360 nan 0.000 0.477 413 L N 0.025 121.179 121.223 -0.117 0.000 2.109 413 L HA -0.152 4.202 4.340 0.023 0.000 0.207 413 L C 2.160 178.930 176.870 -0.168 0.000 1.086 413 L CA 1.534 56.285 54.840 -0.148 0.000 0.760 413 L CB -0.441 41.520 42.059 -0.164 0.000 0.910 413 L HN 0.101 nan 8.230 nan 0.000 0.437 414 Y N -0.147 119.996 120.300 -0.262 0.000 2.114 414 Y HA -0.268 4.296 4.550 0.023 0.000 0.284 414 Y C 2.551 178.307 175.900 -0.240 0.000 1.143 414 Y CA 2.027 59.986 58.100 -0.236 0.000 1.135 414 Y CB -0.153 38.200 38.460 -0.180 0.000 0.980 414 Y HN 0.273 nan 8.280 nan 0.000 0.499 415 Q N 0.706 120.463 119.800 -0.071 0.000 2.124 415 Q HA -0.219 4.135 4.340 0.023 0.000 0.202 415 Q C 2.251 178.124 176.000 -0.212 0.000 0.977 415 Q CA 1.817 57.532 55.803 -0.147 0.000 0.850 415 Q CB -0.465 28.119 28.738 -0.257 0.000 0.901 415 Q HN 0.545 nan 8.270 nan 0.000 0.429 416 K N 0.496 120.734 120.400 -0.269 0.000 1.991 416 K HA -0.189 4.145 4.320 0.023 0.000 0.212 416 K C 1.152 177.469 176.600 -0.471 0.000 1.049 416 K CA 1.598 57.653 56.287 -0.387 0.000 0.932 416 K CB -0.122 32.073 32.500 -0.508 0.000 0.717 416 K HN 0.281 nan 8.250 nan 0.000 0.441 417 H N -0.931 117.955 119.070 -0.306 0.000 2.536 417 H HA 0.223 4.793 4.556 0.024 0.000 0.276 417 H C 0.456 175.627 175.328 -0.262 0.000 1.019 417 H CA 0.427 56.308 56.048 -0.278 0.000 1.159 417 H CB 0.416 29.947 29.762 -0.384 0.000 1.373 417 H HN 0.562 nan 8.280 nan 0.000 0.584 418 G N 1.449 110.118 108.800 -0.219 0.000 2.412 418 G HA2 -0.306 3.668 3.960 0.023 0.000 0.297 418 G HA3 -0.306 3.668 3.960 0.023 0.000 0.297 418 G C 0.037 174.745 174.900 -0.319 0.000 0.965 418 G CA 0.144 45.101 45.100 -0.238 0.000 1.134 418 G HN 0.345 nan 8.290 nan 0.000 0.511 419 L N -0.787 120.091 121.223 -0.575 0.000 2.468 419 L HA 0.742 5.096 4.340 0.023 0.000 0.254 419 L C 1.366 177.841 176.870 -0.659 0.000 1.171 419 L CA 0.108 54.600 54.840 -0.579 0.000 0.809 419 L CB 0.986 42.692 42.059 -0.589 0.000 1.155 419 L HN 0.440 nan 8.230 nan 0.000 0.473 420 G N -0.828 107.796 108.800 -0.294 0.000 2.899 420 G HA2 0.523 4.497 3.960 0.023 0.000 0.137 420 G HA3 0.523 4.497 3.960 0.023 0.000 0.137 420 G C -1.319 173.585 174.900 0.007 0.000 1.198 420 G CA 0.048 45.108 45.100 -0.068 0.000 1.126 420 G HN 0.774 nan 8.290 nan 0.000 0.589 421 A N 0.075 122.906 122.820 0.019 0.000 2.466 421 A HA 0.575 4.909 4.320 0.023 0.000 0.238 421 A C 0.882 178.438 177.584 -0.047 0.000 1.074 421 A CA 0.151 52.194 52.037 0.010 0.000 0.774 421 A CB 0.065 19.094 19.000 0.050 0.000 1.015 421 A HN 0.788 nan 8.150 nan 0.000 0.498 422 R N 0.453 120.866 120.500 -0.145 0.000 2.640 422 R HA 0.150 4.504 4.340 0.023 0.000 0.270 422 R C -1.249 174.973 176.300 -0.130 0.000 1.024 422 R CA 0.525 56.444 56.100 -0.301 0.000 1.085 422 R CB 0.277 30.082 30.300 -0.825 0.000 0.963 422 R HN 0.720 nan 8.270 nan 0.000 0.426 423 D N 2.455 122.799 120.400 -0.094 0.000 2.319 423 D HA 0.126 4.780 4.640 0.023 0.000 0.237 423 D C -0.953 175.369 176.300 0.037 0.000 1.353 423 D CA -0.489 53.535 54.000 0.039 0.000 0.992 423 D CB 1.049 41.874 40.800 0.043 0.000 1.368 423 D HN 0.485 nan 8.370 nan 0.000 0.564 424 D N 1.663 122.118 120.400 0.092 0.000 2.355 424 D HA 0.111 4.765 4.640 0.023 0.000 0.218 424 D C 1.832 178.172 176.300 0.068 0.000 1.004 424 D CA 0.512 54.559 54.000 0.078 0.000 0.880 424 D CB 0.410 41.292 40.800 0.137 0.000 0.911 424 D HN 0.471 nan 8.370 nan 0.000 0.528 425 A N 0.692 123.624 122.820 0.187 0.000 1.968 425 A HA -0.092 4.242 4.320 0.023 0.000 0.217 425 A C 2.022 179.692 177.584 0.143 0.000 1.169 425 A CA 0.641 52.864 52.037 0.310 0.000 0.638 425 A CB -0.363 18.889 19.000 0.420 0.000 0.812 425 A HN 0.134 nan 8.150 nan 0.000 0.446 426 M N 0.434 120.089 119.600 0.092 0.000 2.082 426 M HA -0.162 4.332 4.480 0.023 0.000 0.258 426 M C 2.081 178.417 176.300 0.059 0.000 1.071 426 M CA 2.364 57.701 55.300 0.061 0.000 1.103 426 M CB -1.471 31.167 32.600 0.065 0.000 1.307 426 M HN 0.369 nan 8.290 nan 0.000 0.409 427 G N 0.299 109.152 108.800 0.089 0.000 2.432 427 G HA2 -0.214 3.760 3.960 0.023 0.000 0.219 427 G HA3 -0.214 3.760 3.960 0.023 0.000 0.219 427 G C 1.399 176.337 174.900 0.064 0.000 1.135 427 G CA 0.753 45.957 45.100 0.173 0.000 0.767 427 G HN 0.427 nan 8.290 nan 0.000 0.550 428 M N 0.475 119.990 119.600 -0.143 0.000 2.279 428 M HA -0.027 4.467 4.480 0.023 0.000 0.264 428 M C 2.495 178.709 176.300 -0.143 0.000 1.062 428 M CA 0.741 55.847 55.300 -0.322 0.000 1.099 428 M CB -0.854 31.196 32.600 -0.917 0.000 1.394 428 M HN 0.197 nan 8.290 nan 0.000 0.426 429 Q N -0.549 119.178 119.800 -0.121 0.000 2.234 429 Q HA -0.155 4.200 4.340 0.023 0.000 0.206 429 Q C 1.784 177.616 176.000 -0.279 0.000 0.980 429 Q CA 1.569 57.257 55.803 -0.191 0.000 0.869 429 Q CB -0.772 27.780 28.738 -0.310 0.000 0.912 429 Q HN 0.583 nan 8.270 nan 0.000 0.436 430 Y N -0.201 120.103 120.300 0.006 0.000 2.420 430 Y HA -0.000 4.564 4.550 0.023 0.000 0.292 430 Y C 2.143 178.037 175.900 -0.011 0.000 1.119 430 Y CA 0.487 58.589 58.100 0.003 0.000 1.229 430 Y CB -0.091 38.370 38.460 0.003 0.000 1.026 430 Y HN -0.004 nan 8.280 nan 0.000 0.554 431 L N -0.878 120.391 121.223 0.077 0.000 2.168 431 L HA 0.124 4.478 4.340 0.023 0.000 0.203 431 L C 0.204 177.088 176.870 0.024 0.000 1.078 431 L CA 0.820 55.674 54.840 0.024 0.000 0.780 431 L CB 0.137 42.170 42.059 -0.043 0.000 0.939 431 L HN -0.019 nan 8.230 nan 0.000 0.451 432 I N 0.319 120.906 120.570 0.027 0.000 2.560 432 I HA 0.267 4.451 4.170 0.023 0.000 0.278 432 I C -2.524 173.662 176.117 0.114 0.000 1.089 432 I CA -1.797 59.558 61.300 0.092 0.000 1.086 432 I CB 1.726 39.834 38.000 0.180 0.000 1.202 432 I HN -0.251 nan 8.210 nan 0.000 0.471 433 P HA 0.032 nan 4.420 nan 0.000 0.262 433 P C 1.032 178.378 177.300 0.077 0.000 1.182 433 P CA 0.948 64.072 63.100 0.039 0.000 0.761 433 P CB 0.566 32.279 31.700 0.021 0.000 0.795 434 G N 1.693 110.538 108.800 0.076 0.000 2.184 434 G HA2 -0.266 3.708 3.960 0.023 0.000 0.264 434 G HA3 -0.266 3.708 3.960 0.023 0.000 0.264 434 G C 0.014 174.990 174.900 0.127 0.000 0.975 434 G CA -0.312 44.834 45.100 0.077 0.000 0.642 434 G HN 0.574 nan 8.290 nan 0.000 0.536 435 W N 2.499 123.798 121.300 -0.002 0.000 2.314 435 W HA 0.407 5.080 4.660 0.023 0.000 0.339 435 W C 0.942 177.486 176.519 0.041 0.000 1.293 435 W CA 1.315 58.672 57.345 0.021 0.000 1.288 435 W CB 0.527 30.004 29.460 0.030 0.000 1.186 435 W HN 0.649 nan 8.180 nan 0.000 0.566 436 T N 4.032 118.125 114.554 -0.768 0.000 2.903 436 T HA 0.389 4.753 4.350 0.023 0.000 0.299 436 T C -0.793 173.088 174.700 -1.365 0.000 1.093 436 T CA -1.016 60.642 62.100 -0.736 0.000 1.002 436 T CB 1.087 69.759 68.868 -0.326 0.000 1.127 436 T HN 0.459 nan 8.240 nan 0.000 0.488 437 F N 2.071 121.409 119.950 -1.019 0.000 2.572 437 F HA 0.385 4.925 4.527 0.022 0.000 0.370 437 F C 0.151 175.718 175.800 -0.388 0.000 1.103 437 F CA 0.317 57.925 58.000 -0.653 0.000 1.286 437 F CB 0.450 39.347 39.000 -0.170 0.000 1.105 437 F HN 0.678 nan 8.300 nan 0.000 0.583 438 D N 5.190 124.983 120.400 -1.013 0.000 2.479 438 D HA 0.075 4.729 4.640 0.023 0.000 0.246 438 D C 0.002 175.731 176.300 -0.952 0.000 1.336 438 D CA -0.557 52.960 54.000 -0.805 0.000 0.967 438 D CB 0.669 41.221 40.800 -0.412 0.000 1.275 438 D HN 0.769 nan 8.370 nan 0.000 0.577 439 N N 1.958 120.053 118.700 -1.008 0.000 2.571 439 N HA -0.073 4.681 4.740 0.023 0.000 0.189 439 N C 0.362 175.739 175.510 -0.223 0.000 1.154 439 N CA 0.146 52.859 53.050 -0.562 0.000 0.907 439 N CB 0.364 38.689 38.487 -0.270 0.000 0.977 439 N HN -0.020 nan 8.380 nan 0.000 0.449 440 K N 0.551 120.831 120.400 -0.199 0.000 2.676 440 K HA 0.241 4.575 4.320 0.023 0.000 0.205 440 K C -0.691 175.895 176.600 -0.024 0.000 1.084 440 K CA -0.115 56.129 56.287 -0.072 0.000 1.057 440 K CB 0.806 33.273 32.500 -0.055 0.000 0.791 440 K HN 0.205 nan 8.250 nan 0.000 0.484 441 R N 1.359 121.840 120.500 -0.032 0.000 2.542 441 R HA 0.231 4.585 4.340 0.023 0.000 0.284 441 R C -2.981 173.375 176.300 0.093 0.000 1.167 441 R CA -1.503 54.617 56.100 0.033 0.000 1.000 441 R CB 1.760 32.053 30.300 -0.012 0.000 1.229 441 R HN -0.160 nan 8.270 nan 0.000 0.416 442 P HA -0.125 nan 4.420 nan 0.000 0.263 442 P C 1.120 178.551 177.300 0.219 0.000 1.168 442 P CA -0.035 63.175 63.100 0.183 0.000 0.759 442 P CB 0.381 32.190 31.700 0.182 0.000 0.782 443 C N 3.227 122.701 119.300 0.290 0.000 2.396 443 C HA -0.181 4.294 4.460 0.023 0.000 0.277 443 C C 2.054 177.253 174.990 0.348 0.000 1.231 443 C CA 1.010 60.294 59.018 0.444 0.000 1.775 443 C CB -1.596 26.329 27.740 0.308 0.000 2.036 443 C HN 0.426 nan 8.230 nan 0.000 0.484 444 M N 1.028 120.722 119.600 0.156 0.000 2.506 444 M HA 0.206 4.700 4.480 0.023 0.000 0.260 444 M C 0.698 177.066 176.300 0.113 0.000 1.104 444 M CA 0.525 55.880 55.300 0.090 0.000 1.112 444 M CB -0.748 31.852 32.600 -0.001 0.000 1.401 444 M HN 0.265 nan 8.290 nan 0.000 0.473 445 V N 2.909 122.899 119.914 0.126 0.000 2.368 445 V HA 0.288 4.422 4.120 0.023 0.000 0.266 445 V C 0.419 176.574 176.094 0.102 0.000 1.045 445 V CA -0.332 62.023 62.300 0.092 0.000 0.899 445 V CB 0.436 32.304 31.823 0.075 0.000 1.006 445 V HN 0.241 nan 8.190 nan 0.000 0.470 446 R N 0.000 120.550 120.500 0.083 0.000 2.786 446 R HA 0.000 4.354 4.340 0.023 0.000 0.208 446 R CA 0.000 56.136 56.100 0.060 0.000 0.921 446 R CB 0.000 30.361 30.300 0.101 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535