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 1pvd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISXXXXXX XXHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE ISEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD XXXXXXXXXX DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIEKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEIMLP VFDAPQNLVK DATA SEQUENCE QAKLT 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.017 0.000 1.055 2 S CA 0.000 58.209 58.200 0.014 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 E N 2.176 122.386 120.200 0.017 0.000 2.340 3 E HA 0.739 5.072 4.350 -0.029 0.000 0.273 3 E C -0.783 175.833 176.600 0.027 0.000 0.891 3 E CA -0.919 55.491 56.400 0.016 0.000 0.757 3 E CB 2.273 31.976 29.700 0.006 0.000 1.231 3 E HN 0.609 nan 8.360 nan 0.000 0.439 4 I N -2.382 118.211 120.570 0.038 0.000 3.145 4 I HA 0.555 4.708 4.170 -0.029 0.000 0.313 4 I C 0.174 176.319 176.117 0.047 0.000 1.122 4 I CA -1.110 60.221 61.300 0.052 0.000 0.987 4 I CB 1.973 40.024 38.000 0.084 0.000 1.236 4 I HN 0.471 nan 8.210 nan 0.000 0.453 5 T N 0.431 115.017 114.554 0.054 0.000 2.900 5 T HA 0.115 4.447 4.350 -0.029 0.000 0.307 5 T C 0.809 175.547 174.700 0.064 0.000 1.065 5 T CA -0.479 61.648 62.100 0.046 0.000 1.105 5 T CB 1.235 70.132 68.868 0.049 0.000 0.979 5 T HN 0.674 nan 8.240 nan 0.000 0.544 6 L N 2.593 123.829 121.223 0.022 0.000 2.083 6 L HA 0.185 4.508 4.340 -0.029 0.000 0.209 6 L C 2.475 179.377 176.870 0.053 0.000 1.083 6 L CA 2.283 57.127 54.840 0.007 0.000 0.752 6 L CB -1.345 40.687 42.059 -0.045 0.000 0.899 6 L HN 0.977 nan 8.230 nan 0.000 0.433 7 G N -1.006 107.818 108.800 0.041 0.000 2.408 7 G HA2 -0.295 3.647 3.960 -0.029 0.000 0.217 7 G HA3 -0.295 3.647 3.960 -0.029 0.000 0.217 7 G C 1.741 176.701 174.900 0.100 0.000 1.150 7 G CA 0.779 45.902 45.100 0.039 0.000 0.776 7 G HN 0.422 nan 8.290 nan 0.000 0.542 8 K N -0.777 119.718 120.400 0.158 0.000 2.103 8 K HA -0.052 4.251 4.320 -0.029 0.000 0.204 8 K C 2.098 178.782 176.600 0.139 0.000 1.052 8 K CA 0.612 57.020 56.287 0.203 0.000 0.945 8 K CB -0.320 32.263 32.500 0.138 0.000 0.722 8 K HN 0.323 nan 8.250 nan 0.000 0.443 9 Y N 1.561 121.861 120.300 -0.001 0.000 2.081 9 Y HA -0.323 4.209 4.550 -0.030 0.000 0.280 9 Y C 1.962 177.809 175.900 -0.087 0.000 1.163 9 Y CA 1.813 59.893 58.100 -0.034 0.000 1.135 9 Y CB -0.482 37.952 38.460 -0.045 0.000 0.970 9 Y HN 0.123 nan 8.280 nan 0.000 0.498 10 L N -0.266 120.901 121.223 -0.093 0.000 1.997 10 L HA -0.273 4.050 4.340 -0.029 0.000 0.216 10 L C 2.045 178.672 176.870 -0.405 0.000 1.074 10 L CA 2.131 56.773 54.840 -0.331 0.000 0.763 10 L CB -1.185 40.517 42.059 -0.595 0.000 0.890 10 L HN 0.260 nan 8.230 nan 0.000 0.434 11 F N -0.198 119.694 119.950 -0.098 0.000 2.234 11 F HA -0.083 4.427 4.527 -0.028 0.000 0.299 11 F C 2.511 178.231 175.800 -0.134 0.000 1.087 11 F CA 1.012 58.946 58.000 -0.110 0.000 1.340 11 F CB -0.637 38.301 39.000 -0.103 0.000 1.031 11 F HN 0.150 nan 8.300 nan 0.000 0.500 12 E N 0.027 120.213 120.200 -0.024 0.000 2.072 12 E HA -0.101 4.231 4.350 -0.029 0.000 0.190 12 E C 2.432 178.929 176.600 -0.172 0.000 0.982 12 E CA 0.513 56.858 56.400 -0.092 0.000 0.803 12 E CB -0.225 29.407 29.700 -0.115 0.000 0.755 12 E HN 0.200 nan 8.360 nan 0.000 0.453 13 R N 0.722 121.039 120.500 -0.304 0.000 2.082 13 R HA -0.107 4.215 4.340 -0.029 0.000 0.234 13 R C 2.400 178.605 176.300 -0.158 0.000 1.136 13 R CA 0.598 56.532 56.100 -0.278 0.000 0.935 13 R CB -1.188 28.902 30.300 -0.349 0.000 0.842 13 R HN 0.161 nan 8.270 nan 0.000 0.430 14 L N 1.772 122.921 121.223 -0.124 0.000 2.054 14 L HA -0.278 4.044 4.340 -0.029 0.000 0.220 14 L C 2.397 179.244 176.870 -0.038 0.000 1.081 14 L CA 2.222 57.028 54.840 -0.056 0.000 0.780 14 L CB -1.011 41.045 42.059 -0.004 0.000 0.893 14 L HN 0.345 nan 8.230 nan 0.000 0.438 15 K N -1.093 119.287 120.400 -0.033 0.000 2.148 15 K HA -0.176 4.127 4.320 -0.029 0.000 0.204 15 K C 1.916 178.486 176.600 -0.050 0.000 1.050 15 K CA 1.270 57.539 56.287 -0.030 0.000 0.942 15 K CB -0.263 32.224 32.500 -0.021 0.000 0.724 15 K HN 0.404 nan 8.250 nan 0.000 0.446 16 Q N 0.766 120.520 119.800 -0.076 0.000 2.124 16 Q HA -0.095 4.228 4.340 -0.029 0.000 0.202 16 Q C 1.798 177.736 176.000 -0.104 0.000 0.977 16 Q CA 1.843 57.593 55.803 -0.088 0.000 0.850 16 Q CB 0.062 28.737 28.738 -0.105 0.000 0.901 16 Q HN 0.442 nan 8.270 nan 0.000 0.429 17 V N -0.451 119.392 119.914 -0.118 0.000 3.331 17 V HA 0.095 4.197 4.120 -0.029 0.000 0.332 17 V C 0.130 176.170 176.094 -0.090 0.000 1.341 17 V CA 0.165 62.365 62.300 -0.167 0.000 1.218 17 V CB -1.302 30.383 31.823 -0.229 0.000 1.152 17 V HN 0.574 nan 8.190 nan 0.000 0.445 18 N N -0.844 117.829 118.700 -0.044 0.000 2.725 18 N HA -0.180 4.543 4.740 -0.029 0.000 0.251 18 N C -0.494 175.066 175.510 0.083 0.000 1.031 18 N CA 0.704 53.756 53.050 0.004 0.000 0.720 18 N CB -2.032 36.449 38.487 -0.009 0.000 0.930 18 N HN 0.530 nan 8.380 nan 0.000 0.543 19 V N 1.420 121.388 119.914 0.090 0.000 2.333 19 V HA 0.242 4.345 4.120 -0.029 0.000 0.274 19 V C 0.862 176.968 176.094 0.020 0.000 1.028 19 V CA -0.648 61.737 62.300 0.141 0.000 0.851 19 V CB 1.401 33.267 31.823 0.072 0.000 1.000 19 V HN 0.375 nan 8.190 nan 0.000 0.456 20 N N 2.297 121.009 118.700 0.019 0.000 2.294 20 N HA 0.075 4.798 4.740 -0.029 0.000 0.186 20 N C 0.338 175.669 175.510 -0.299 0.000 1.107 20 N CA 0.164 53.158 53.050 -0.094 0.000 0.884 20 N CB 1.181 39.647 38.487 -0.034 0.000 1.030 20 N HN 0.558 nan 8.380 nan 0.000 0.482 21 T N 1.303 115.536 114.554 -0.535 0.000 2.824 21 T HA 0.486 4.818 4.350 -0.029 0.000 0.282 21 T C -0.170 173.869 174.700 -1.101 0.000 0.993 21 T CA -0.448 61.072 62.100 -0.967 0.000 0.967 21 T CB 2.805 70.858 68.868 -1.357 0.000 0.960 21 T HN -0.312 nan 8.240 nan 0.000 0.441 22 V N 3.765 123.109 119.914 -0.949 0.000 2.513 22 V HA 0.618 4.720 4.120 -0.029 0.000 0.299 22 V C -0.753 174.689 176.094 -1.086 0.000 1.035 22 V CA -0.843 61.075 62.300 -0.635 0.000 0.889 22 V CB 1.239 33.025 31.823 -0.062 0.000 0.988 22 V HN 0.743 nan 8.190 nan 0.000 0.440 23 F N 1.533 121.235 119.950 -0.414 0.000 2.457 23 F HA 0.952 5.461 4.527 -0.030 0.000 0.330 23 F C 0.913 176.408 175.800 -0.509 0.000 1.069 23 F CA 0.510 58.188 58.000 -0.537 0.000 1.009 23 F CB 1.795 40.618 39.000 -0.296 0.000 1.276 23 F HN 0.842 nan 8.300 nan 0.000 0.492 24 G N 0.130 108.761 108.800 -0.281 0.000 2.316 24 G HA2 0.276 4.218 3.960 -0.029 0.000 0.349 24 G HA3 0.276 4.218 3.960 -0.029 0.000 0.349 24 G C -2.413 172.536 174.900 0.082 0.000 1.274 24 G CA -1.168 43.935 45.100 0.004 0.000 1.018 24 G HN 0.566 nan 8.290 nan 0.000 0.486 25 L N 1.409 122.866 121.223 0.391 0.000 2.409 25 L HA 0.702 5.024 4.340 -0.029 0.000 0.262 25 L C -2.012 175.103 176.870 0.409 0.000 0.992 25 L CA -1.585 53.510 54.840 0.423 0.000 0.817 25 L CB 2.681 44.857 42.059 0.194 0.000 1.350 25 L HN 0.543 nan 8.230 nan 0.000 0.411 26 P HA 0.442 nan 4.420 nan 0.000 0.274 26 P C -0.664 176.678 177.300 0.069 0.000 1.237 26 P CA -0.180 62.982 63.100 0.104 0.000 0.793 26 P CB 1.264 32.999 31.700 0.059 0.000 0.977 27 G N 0.355 109.164 108.800 0.016 0.000 2.608 27 G HA2 0.212 4.154 3.960 -0.029 0.000 0.291 27 G HA3 0.212 4.154 3.960 -0.029 0.000 0.291 27 G C 0.003 174.853 174.900 -0.082 0.000 1.425 27 G CA -0.498 44.590 45.100 -0.021 0.000 0.787 27 G HN 0.253 nan 8.290 nan 0.000 0.484 28 D N -0.358 119.939 120.400 -0.171 0.000 2.172 28 D HA -0.108 4.514 4.640 -0.029 0.000 0.196 28 D C 1.365 177.261 176.300 -0.674 0.000 0.999 28 D CA 1.641 55.367 54.000 -0.456 0.000 0.856 28 D CB -0.072 40.370 40.800 -0.597 0.000 0.934 28 D HN 0.268 nan 8.370 nan 0.000 0.453 29 F N -0.120 119.871 119.950 0.069 0.000 2.647 29 F HA 0.191 4.702 4.527 -0.026 0.000 0.300 29 F C 1.101 176.912 175.800 0.018 0.000 1.106 29 F CA -0.384 57.643 58.000 0.045 0.000 1.313 29 F CB -0.072 38.960 39.000 0.053 0.000 1.007 29 F HN -0.081 nan 8.300 nan 0.000 0.536 30 N N -1.157 117.591 118.700 0.081 0.000 2.118 30 N HA 0.031 4.753 4.740 -0.029 0.000 0.226 30 N C 1.080 176.568 175.510 -0.037 0.000 1.305 30 N CA 0.109 53.181 53.050 0.036 0.000 0.890 30 N CB -0.440 38.073 38.487 0.044 0.000 1.118 30 N HN 0.008 nan 8.380 nan 0.000 0.511 31 L N 0.923 122.115 121.223 -0.052 0.000 2.013 31 L HA -0.012 4.311 4.340 -0.029 0.000 0.212 31 L C 2.412 179.245 176.870 -0.062 0.000 1.073 31 L CA 1.523 56.316 54.840 -0.078 0.000 0.753 31 L CB -1.427 40.593 42.059 -0.066 0.000 0.890 31 L HN 0.336 nan 8.230 nan 0.000 0.432 32 S N -1.181 114.503 115.700 -0.027 0.000 2.402 32 S HA -0.104 4.349 4.470 -0.029 0.000 0.229 32 S C 1.982 176.587 174.600 0.009 0.000 1.021 32 S CA 0.757 58.953 58.200 -0.006 0.000 0.974 32 S CB -0.141 63.063 63.200 0.008 0.000 0.800 32 S HN 0.354 nan 8.310 nan 0.000 0.484 33 L N 0.497 121.730 121.223 0.017 0.000 2.044 33 L HA -0.043 4.280 4.340 -0.029 0.000 0.205 33 L C 1.999 178.907 176.870 0.063 0.000 1.075 33 L CA 1.153 56.042 54.840 0.083 0.000 0.747 33 L CB -0.417 41.685 42.059 0.072 0.000 0.903 33 L HN 0.333 nan 8.230 nan 0.000 0.435 34 L N 0.136 121.285 121.223 -0.123 0.000 2.079 34 L HA -0.272 4.050 4.340 -0.029 0.000 0.210 34 L C 2.224 178.905 176.870 -0.314 0.000 1.081 34 L CA 1.575 56.187 54.840 -0.381 0.000 0.752 34 L CB -1.068 40.655 42.059 -0.560 0.000 0.896 34 L HN 0.272 nan 8.230 nan 0.000 0.433 35 D N -0.261 120.077 120.400 -0.104 0.000 2.133 35 D HA -0.228 4.395 4.640 -0.029 0.000 0.195 35 D C 2.172 178.457 176.300 -0.025 0.000 0.997 35 D CA 1.139 55.154 54.000 0.026 0.000 0.840 35 D CB -0.020 40.797 40.800 0.029 0.000 0.947 35 D HN 0.221 nan 8.370 nan 0.000 0.452 36 K N 0.249 120.613 120.400 -0.061 0.000 2.209 36 K HA -0.018 4.285 4.320 -0.029 0.000 0.204 36 K C 2.113 178.515 176.600 -0.329 0.000 1.048 36 K CA 0.280 56.543 56.287 -0.040 0.000 0.940 36 K CB -0.096 32.538 32.500 0.223 0.000 0.729 36 K HN 0.222 nan 8.250 nan 0.000 0.451 37 I N -0.315 119.758 120.570 -0.829 0.000 2.286 37 I HA -0.275 3.878 4.170 -0.029 0.000 0.248 37 I C 1.179 176.928 176.117 -0.614 0.000 1.115 37 I CA 1.260 61.906 61.300 -1.090 0.000 1.392 37 I CB -0.182 37.050 38.000 -1.280 0.000 1.065 37 I HN 0.186 nan 8.210 nan 0.000 0.418 38 Y N 0.580 120.739 120.300 -0.235 0.000 2.578 38 Y HA -0.039 4.494 4.550 -0.029 0.000 0.297 38 Y C 2.018 177.866 175.900 -0.088 0.000 1.176 38 Y CA 0.322 58.347 58.100 -0.125 0.000 1.315 38 Y CB -0.584 37.820 38.460 -0.094 0.000 1.031 38 Y HN 0.219 nan 8.280 nan 0.000 0.524 39 E N -0.350 119.857 120.200 0.012 0.000 2.474 39 E HA 0.105 4.438 4.350 -0.029 0.000 0.194 39 E C -0.398 176.202 176.600 -0.000 0.000 1.041 39 E CA 0.066 56.478 56.400 0.020 0.000 0.874 39 E CB 0.525 30.240 29.700 0.024 0.000 0.914 39 E HN 0.038 nan 8.360 nan 0.000 0.498 40 V N 2.195 122.084 119.914 -0.042 0.000 2.357 40 V HA 0.115 4.218 4.120 -0.029 0.000 0.284 40 V C 0.019 176.091 176.094 -0.038 0.000 1.018 40 V CA -0.759 61.519 62.300 -0.037 0.000 0.841 40 V CB 1.326 33.129 31.823 -0.033 0.000 0.991 40 V HN 0.104 nan 8.190 nan 0.000 0.437 41 E N 3.352 123.544 120.200 -0.013 0.000 2.413 41 E HA 0.355 4.688 4.350 -0.029 0.000 0.263 41 E C 1.346 177.936 176.600 -0.017 0.000 1.015 41 E CA 1.009 57.406 56.400 -0.005 0.000 0.916 41 E CB 0.635 30.337 29.700 0.003 0.000 0.947 41 E HN 1.000 nan 8.360 nan 0.000 0.440 42 G N 3.731 112.523 108.800 -0.013 0.000 2.253 42 G HA2 -0.245 3.697 3.960 -0.029 0.000 0.251 42 G HA3 -0.245 3.697 3.960 -0.029 0.000 0.251 42 G C 0.235 175.098 174.900 -0.063 0.000 0.998 42 G CA 0.465 45.550 45.100 -0.024 0.000 0.621 42 G HN 0.428 nan 8.290 nan 0.000 0.524 43 M N 0.644 120.188 119.600 -0.093 0.000 2.288 43 M HA 0.613 5.076 4.480 -0.029 0.000 0.334 43 M C 0.763 176.943 176.300 -0.201 0.000 1.150 43 M CA -0.389 54.808 55.300 -0.171 0.000 1.118 43 M CB 1.122 33.589 32.600 -0.222 0.000 1.501 43 M HN 0.624 nan 8.290 nan 0.000 0.462 44 R N 0.852 121.175 120.500 -0.296 0.000 2.626 44 R HA 0.433 4.755 4.340 -0.029 0.000 0.274 44 R C -1.817 174.286 176.300 -0.328 0.000 1.031 44 R CA -0.823 55.114 56.100 -0.271 0.000 0.898 44 R CB 1.593 31.666 30.300 -0.379 0.000 1.222 44 R HN 0.861 nan 8.270 nan 0.000 0.455 45 W N 3.605 124.693 121.300 -0.354 0.000 2.331 45 W HA 0.383 5.025 4.660 -0.030 0.000 0.306 45 W C -0.046 176.377 176.519 -0.160 0.000 1.162 45 W CA -0.162 57.000 57.345 -0.305 0.000 1.232 45 W CB 1.787 31.148 29.460 -0.166 0.000 1.235 45 W HN 0.950 nan 8.180 nan 0.000 0.479 46 A N 4.354 126.656 122.820 -0.865 0.000 1.929 46 A HA 0.175 4.477 4.320 -0.029 0.000 0.216 46 A C 1.356 178.908 177.584 -0.052 0.000 1.176 46 A CA 1.316 53.045 52.037 -0.513 0.000 0.628 46 A CB -1.002 17.639 19.000 -0.599 0.000 0.816 46 A HN 1.447 nan 8.150 nan 0.000 0.444 47 G N -0.046 108.431 108.800 -0.538 0.000 2.545 47 G HA2 -0.201 3.741 3.960 -0.029 0.000 0.279 47 G HA3 -0.201 3.741 3.960 -0.029 0.000 0.279 47 G C -0.413 174.475 174.900 -0.020 0.000 1.131 47 G CA 0.066 45.106 45.100 -0.100 0.000 1.100 47 G HN 0.654 nan 8.290 nan 0.000 0.525 48 N N -0.326 118.306 118.700 -0.114 0.000 2.453 48 N HA 0.480 5.202 4.740 -0.029 0.000 0.253 48 N C 1.575 177.092 175.510 0.011 0.000 1.252 48 N CA 0.380 53.421 53.050 -0.015 0.000 0.917 48 N CB 0.728 39.193 38.487 -0.036 0.000 1.117 48 N HN 0.561 nan 8.380 nan 0.000 0.442 49 A N 1.396 124.217 122.820 0.001 0.000 2.123 49 A HA 0.005 4.308 4.320 -0.029 0.000 0.214 49 A C 0.139 177.724 177.584 0.001 0.000 1.152 49 A CA 0.976 53.004 52.037 -0.015 0.000 0.728 49 A CB -0.584 18.374 19.000 -0.070 0.000 0.814 49 A HN 0.884 nan 8.150 nan 0.000 0.464 50 N N -2.928 115.774 118.700 0.003 0.000 2.859 50 N HA 0.296 5.018 4.740 -0.029 0.000 0.250 50 N C -0.496 175.004 175.510 -0.018 0.000 1.341 50 N CA -0.389 52.663 53.050 0.002 0.000 0.881 50 N CB 0.382 38.871 38.487 0.005 0.000 1.516 50 N HN -0.162 nan 8.380 nan 0.000 0.503 51 E N 0.132 120.319 120.200 -0.023 0.000 2.153 51 E HA -0.035 4.298 4.350 -0.029 0.000 0.194 51 E C 1.252 177.777 176.600 -0.125 0.000 0.988 51 E CA 0.836 57.208 56.400 -0.048 0.000 0.811 51 E CB -0.037 29.648 29.700 -0.026 0.000 0.746 51 E HN 0.565 nan 8.360 nan 0.000 0.466 52 L N 0.700 121.826 121.223 -0.162 0.000 2.072 52 L HA -0.137 4.185 4.340 -0.029 0.000 0.205 52 L C 1.316 177.891 176.870 -0.492 0.000 1.079 52 L CA 1.350 55.984 54.840 -0.343 0.000 0.752 52 L CB -0.202 41.694 42.059 -0.270 0.000 0.906 52 L HN 0.149 nan 8.230 nan 0.000 0.436 53 N N 0.753 119.327 118.700 -0.210 0.000 2.120 53 N HA -0.150 4.572 4.740 -0.029 0.000 0.188 53 N C 1.813 177.290 175.510 -0.055 0.000 1.024 53 N CA 1.557 54.587 53.050 -0.032 0.000 0.852 53 N CB -0.387 38.124 38.487 0.040 0.000 1.003 53 N HN 0.404 nan 8.380 nan 0.000 0.424 54 A N 0.774 123.543 122.820 -0.086 0.000 1.902 54 A HA 0.052 4.355 4.320 -0.029 0.000 0.217 54 A C 2.337 179.818 177.584 -0.171 0.000 1.181 54 A CA 1.882 53.867 52.037 -0.086 0.000 0.623 54 A CB -0.859 18.121 19.000 -0.034 0.000 0.818 54 A HN 0.315 nan 8.150 nan 0.000 0.443 55 A N -1.127 121.586 122.820 -0.178 0.000 1.877 55 A HA -0.056 4.247 4.320 -0.029 0.000 0.216 55 A C 2.076 179.647 177.584 -0.022 0.000 1.186 55 A CA 1.578 53.520 52.037 -0.159 0.000 0.620 55 A CB -0.831 18.037 19.000 -0.219 0.000 0.822 55 A HN 0.531 nan 8.150 nan 0.000 0.443 56 Y N -0.003 120.278 120.300 -0.031 0.000 2.165 56 Y HA -0.140 4.393 4.550 -0.029 0.000 0.286 56 Y C 2.958 178.741 175.900 -0.194 0.000 1.155 56 Y CA 0.384 58.489 58.100 0.009 0.000 1.164 56 Y CB -1.222 37.236 38.460 -0.004 0.000 0.978 56 Y HN 0.339 nan 8.280 nan 0.000 0.513 57 A N -0.081 122.634 122.820 -0.175 0.000 1.898 57 A HA -0.043 4.259 4.320 -0.029 0.000 0.216 57 A C 2.535 179.676 177.584 -0.738 0.000 1.181 57 A CA 1.729 53.478 52.037 -0.480 0.000 0.620 57 A CB -1.158 17.469 19.000 -0.621 0.000 0.819 57 A HN 0.369 nan 8.150 nan 0.000 0.442 58 A N -0.039 122.298 122.820 -0.805 0.000 1.908 58 A HA -0.247 4.056 4.320 -0.029 0.000 0.218 58 A C 1.980 179.524 177.584 -0.067 0.000 1.181 58 A CA 2.028 53.792 52.037 -0.455 0.000 0.627 58 A CB -0.628 18.277 19.000 -0.159 0.000 0.818 58 A HN 0.575 nan 8.150 nan 0.000 0.445 59 D N -0.415 119.987 120.400 0.004 0.000 2.078 59 D HA -0.110 4.512 4.640 -0.029 0.000 0.193 59 D C 2.138 178.528 176.300 0.149 0.000 0.990 59 D CA 1.790 55.883 54.000 0.155 0.000 0.827 59 D CB -0.560 40.440 40.800 0.334 0.000 0.975 59 D HN 0.315 nan 8.370 nan 0.000 0.451 60 G N -0.678 108.162 108.800 0.065 0.000 2.440 60 G HA2 -0.326 3.616 3.960 -0.029 0.000 0.218 60 G HA3 -0.326 3.616 3.960 -0.029 0.000 0.218 60 G C 1.689 176.619 174.900 0.050 0.000 1.154 60 G CA 0.998 46.118 45.100 0.033 0.000 0.767 60 G HN 0.382 nan 8.290 nan 0.000 0.552 61 Y N 1.957 122.222 120.300 -0.058 0.000 2.114 61 Y HA -0.112 4.421 4.550 -0.029 0.000 0.282 61 Y C 2.977 178.892 175.900 0.025 0.000 1.165 61 Y CA 1.728 59.846 58.100 0.030 0.000 1.148 61 Y CB -0.343 38.203 38.460 0.145 0.000 0.972 61 Y HN 0.257 nan 8.280 nan 0.000 0.504 62 A N 0.268 123.214 122.820 0.209 0.000 1.933 62 A HA -0.195 4.107 4.320 -0.029 0.000 0.218 62 A C 2.272 179.872 177.584 0.026 0.000 1.175 62 A CA 1.741 53.861 52.037 0.139 0.000 0.628 62 A CB -0.615 18.479 19.000 0.156 0.000 0.814 62 A HN 0.537 nan 8.150 nan 0.000 0.444 63 R N -0.702 119.815 120.500 0.028 0.000 2.091 63 R HA -0.120 4.202 4.340 -0.029 0.000 0.238 63 R C 1.842 178.016 176.300 -0.210 0.000 1.136 63 R CA 1.521 57.630 56.100 0.015 0.000 0.959 63 R CB -0.356 30.034 30.300 0.151 0.000 0.856 63 R HN 0.458 nan 8.270 nan 0.000 0.437 64 I N 0.543 120.927 120.570 -0.310 0.000 2.206 64 I HA -0.136 4.017 4.170 -0.029 0.000 0.239 64 I C 2.029 177.949 176.117 -0.330 0.000 1.078 64 I CA 1.459 62.492 61.300 -0.445 0.000 1.367 64 I CB -0.812 36.946 38.000 -0.403 0.000 1.078 64 I HN -0.039 nan 8.210 nan 0.000 0.413 65 K N -0.162 120.037 120.400 -0.336 0.000 2.243 65 K HA 0.117 4.420 4.320 -0.029 0.000 0.201 65 K C 1.325 177.884 176.600 -0.069 0.000 1.051 65 K CA 1.075 57.208 56.287 -0.256 0.000 0.970 65 K CB 0.214 32.449 32.500 -0.443 0.000 0.755 65 K HN 0.467 nan 8.250 nan 0.000 0.465 66 G N -0.556 108.233 108.800 -0.018 0.000 2.391 66 G HA2 -0.208 3.734 3.960 -0.029 0.000 0.204 66 G HA3 -0.208 3.734 3.960 -0.029 0.000 0.204 66 G C 0.068 175.063 174.900 0.159 0.000 1.012 66 G CA 0.108 45.258 45.100 0.084 0.000 0.651 66 G HN 0.235 nan 8.290 nan 0.000 0.494 67 M N 0.628 120.346 119.600 0.196 0.000 2.773 67 M HA 0.572 5.035 4.480 -0.029 0.000 0.270 67 M C -0.985 175.493 176.300 0.297 0.000 1.238 67 M CA 0.150 55.585 55.300 0.226 0.000 0.832 67 M CB 2.051 34.814 32.600 0.271 0.000 1.672 67 M HN 0.932 nan 8.290 nan 0.000 0.480 68 S N 0.319 116.168 115.700 0.248 0.000 2.656 68 S HA 0.800 5.252 4.470 -0.029 0.000 0.273 68 S C -1.622 173.067 174.600 0.148 0.000 1.168 68 S CA -0.806 57.544 58.200 0.249 0.000 0.817 68 S CB 1.791 65.162 63.200 0.286 0.000 1.146 68 S HN 1.012 nan 8.310 nan 0.000 0.475 69 C N 1.385 120.759 119.300 0.124 0.000 2.686 69 C HA 0.818 5.261 4.460 -0.029 0.000 0.318 69 C C -1.053 174.043 174.990 0.176 0.000 1.160 69 C CA -0.538 58.550 59.018 0.117 0.000 1.396 69 C CB 0.081 27.864 27.740 0.072 0.000 1.924 69 C HN 1.003 nan 8.230 nan 0.000 0.471 70 I N 6.463 127.144 120.570 0.186 0.000 2.498 70 I HA 0.677 4.830 4.170 -0.029 0.000 0.290 70 I C -1.280 175.005 176.117 0.281 0.000 1.032 70 I CA -0.807 60.617 61.300 0.207 0.000 1.073 70 I CB 1.328 39.387 38.000 0.098 0.000 1.251 70 I HN 0.690 nan 8.210 nan 0.000 0.426 71 I N 7.060 127.829 120.570 0.331 0.000 2.406 71 I HA 0.438 4.591 4.170 -0.029 0.000 0.290 71 I C 0.102 176.432 176.117 0.356 0.000 0.999 71 I CA -0.217 61.286 61.300 0.338 0.000 1.124 71 I CB 2.098 40.308 38.000 0.349 0.000 1.289 71 I HN 0.644 nan 8.210 nan 0.000 0.441 72 T N 0.638 115.358 114.554 0.277 0.000 2.773 72 T HA 0.548 4.881 4.350 -0.029 0.000 0.278 72 T C -0.421 174.371 174.700 0.155 0.000 1.011 72 T CA -0.716 61.526 62.100 0.236 0.000 1.014 72 T CB 2.110 71.158 68.868 0.299 0.000 1.293 72 T HN 0.421 nan 8.240 nan 0.000 0.554 73 T N 0.305 114.938 114.554 0.130 0.000 2.887 73 T HA 0.540 4.873 4.350 -0.029 0.000 0.288 73 T C -0.903 173.886 174.700 0.149 0.000 1.021 73 T CA -0.760 61.436 62.100 0.160 0.000 1.000 73 T CB 0.489 69.426 68.868 0.116 0.000 1.034 73 T HN 0.573 nan 8.240 nan 0.000 0.467 74 F N 3.885 123.893 119.950 0.097 0.000 2.604 74 F HA 0.297 4.806 4.527 -0.031 0.000 0.390 74 F C 1.465 177.203 175.800 -0.103 0.000 1.053 74 F CA 1.985 60.023 58.000 0.063 0.000 1.256 74 F CB -0.195 38.876 39.000 0.118 0.000 0.996 74 F HN 0.932 nan 8.300 nan 0.000 0.564 75 G N 3.991 112.194 108.800 -0.994 0.000 5.431 75 G HA2 -0.420 3.523 3.960 -0.029 0.000 0.322 75 G HA3 -0.420 3.523 3.960 -0.029 0.000 0.322 75 G C 1.115 175.587 174.900 -0.712 0.000 1.370 75 G CA 1.351 45.618 45.100 -1.387 0.000 0.963 75 G HN 1.578 nan 8.290 nan 0.000 0.797 76 V N -0.197 119.466 119.914 -0.418 0.000 2.332 76 V HA 0.221 4.324 4.120 -0.029 0.000 0.248 76 V C 2.741 178.730 176.094 -0.175 0.000 1.055 76 V CA 2.856 65.003 62.300 -0.255 0.000 1.038 76 V CB -1.481 30.208 31.823 -0.223 0.000 0.651 76 V HN 1.509 nan 8.190 nan 0.000 0.450 77 G N 1.198 109.908 108.800 -0.150 0.000 2.417 77 G HA2 -0.136 3.807 3.960 -0.029 0.000 0.212 77 G HA3 -0.136 3.807 3.960 -0.029 0.000 0.212 77 G C 1.501 176.404 174.900 0.006 0.000 1.187 77 G CA 0.756 45.832 45.100 -0.040 0.000 0.804 77 G HN 0.756 nan 8.290 nan 0.000 0.534 78 E N 0.581 120.793 120.200 0.020 0.000 2.077 78 E HA -0.085 4.248 4.350 -0.029 0.000 0.193 78 E C 2.400 179.043 176.600 0.072 0.000 0.989 78 E CA 0.738 57.247 56.400 0.181 0.000 0.800 78 E CB -0.564 29.259 29.700 0.205 0.000 0.746 78 E HN 0.383 nan 8.360 nan 0.000 0.452 79 L N 1.319 122.492 121.223 -0.084 0.000 2.079 79 L HA -0.154 4.168 4.340 -0.029 0.000 0.210 79 L C 2.593 179.437 176.870 -0.043 0.000 1.081 79 L CA 1.399 56.192 54.840 -0.077 0.000 0.752 79 L CB -0.441 41.515 42.059 -0.173 0.000 0.896 79 L HN 0.199 nan 8.230 nan 0.000 0.433 80 S N -0.106 115.561 115.700 -0.056 0.000 2.402 80 S HA -0.084 4.368 4.470 -0.029 0.000 0.229 80 S C 1.985 176.542 174.600 -0.071 0.000 1.021 80 S CA 1.079 59.249 58.200 -0.050 0.000 0.974 80 S CB -0.110 63.061 63.200 -0.048 0.000 0.800 80 S HN 0.503 nan 8.310 nan 0.000 0.484 81 A N 0.821 123.594 122.820 -0.077 0.000 2.169 81 A HA 0.208 4.511 4.320 -0.029 0.000 0.212 81 A C 1.705 179.213 177.584 -0.127 0.000 1.153 81 A CA 0.286 52.231 52.037 -0.153 0.000 0.756 81 A CB -0.355 18.500 19.000 -0.243 0.000 0.813 81 A HN 0.323 nan 8.150 nan 0.000 0.471 82 L N 0.856 122.052 121.223 -0.046 0.000 2.089 82 L HA -0.243 4.079 4.340 -0.029 0.000 0.213 82 L C 2.257 179.134 176.870 0.013 0.000 1.079 82 L CA 1.937 56.773 54.840 -0.007 0.000 0.758 82 L CB -1.224 40.853 42.059 0.030 0.000 0.891 82 L HN 0.641 nan 8.230 nan 0.000 0.433 83 N N -0.560 118.175 118.700 0.059 0.000 2.223 83 N HA -0.157 4.566 4.740 -0.029 0.000 0.185 83 N C 1.830 177.456 175.510 0.193 0.000 1.016 83 N CA 1.130 54.308 53.050 0.214 0.000 0.863 83 N CB 0.067 38.710 38.487 0.259 0.000 0.983 83 N HN 0.425 nan 8.380 nan 0.000 0.429 84 G N 1.596 110.404 108.800 0.014 0.000 2.404 84 G HA2 -0.118 3.824 3.960 -0.029 0.000 0.214 84 G HA3 -0.118 3.824 3.960 -0.029 0.000 0.214 84 G C 1.568 176.459 174.900 -0.015 0.000 1.189 84 G CA 0.243 45.369 45.100 0.043 0.000 0.789 84 G HN 0.191 nan 8.290 nan 0.000 0.533 85 I N 2.126 122.647 120.570 -0.081 0.000 2.163 85 I HA -0.152 4.000 4.170 -0.029 0.000 0.243 85 I C 3.281 179.305 176.117 -0.155 0.000 1.085 85 I CA 1.222 62.473 61.300 -0.081 0.000 1.347 85 I CB -1.407 36.566 38.000 -0.045 0.000 1.044 85 I HN 0.257 nan 8.210 nan 0.000 0.408 86 A N 1.058 123.724 122.820 -0.257 0.000 1.883 86 A HA -0.137 4.165 4.320 -0.029 0.000 0.217 86 A C 2.541 179.530 177.584 -0.992 0.000 1.186 86 A CA 2.034 53.748 52.037 -0.537 0.000 0.624 86 A CB -1.417 17.293 19.000 -0.482 0.000 0.822 86 A HN 0.434 nan 8.150 nan 0.000 0.444 87 G N -0.748 107.328 108.800 -1.206 0.000 2.440 87 G HA2 -0.181 3.762 3.960 -0.029 0.000 0.218 87 G HA3 -0.181 3.762 3.960 -0.029 0.000 0.218 87 G C 1.817 176.447 174.900 -0.451 0.000 1.154 87 G CA 1.400 45.792 45.100 -1.180 0.000 0.767 87 G HN 0.508 nan 8.290 nan 0.000 0.552 88 S N -0.485 115.073 115.700 -0.237 0.000 2.383 88 S HA -0.088 4.365 4.470 -0.029 0.000 0.227 88 S C 1.928 176.465 174.600 -0.106 0.000 1.026 88 S CA 1.042 59.189 58.200 -0.089 0.000 0.981 88 S CB -0.391 62.804 63.200 -0.008 0.000 0.818 88 S HN 0.504 nan 8.310 nan 0.000 0.472 89 Y N 2.461 122.611 120.300 -0.251 0.000 2.089 89 Y HA -0.129 4.406 4.550 -0.024 0.000 0.282 89 Y C 2.558 178.296 175.900 -0.271 0.000 1.139 89 Y CA 1.192 59.140 58.100 -0.253 0.000 1.123 89 Y CB -0.959 37.357 38.460 -0.240 0.000 0.980 89 Y HN 0.201 nan 8.280 nan 0.000 0.493 90 A N 0.398 123.153 122.820 -0.108 0.000 1.903 90 A HA -0.261 4.041 4.320 -0.029 0.000 0.219 90 A C 1.843 179.427 177.584 0.000 0.000 1.191 90 A CA 2.275 54.289 52.037 -0.039 0.000 0.638 90 A CB -0.766 18.234 19.000 0.000 0.000 0.823 90 A HN 0.685 nan 8.150 nan 0.000 0.451 91 E N -1.381 118.809 120.200 -0.017 0.000 2.437 91 E HA 0.145 4.478 4.350 -0.029 0.000 0.189 91 E C -0.807 175.880 176.600 0.146 0.000 1.054 91 E CA -0.042 56.403 56.400 0.076 0.000 0.874 91 E CB -0.054 29.664 29.700 0.030 0.000 1.011 91 E HN 0.734 nan 8.360 nan 0.000 0.474 92 H N -0.753 118.267 119.070 -0.083 0.000 2.765 92 H HA -0.128 4.411 4.556 -0.028 0.000 0.332 92 H C -1.194 174.103 175.328 -0.052 0.000 1.180 92 H CA 0.235 56.243 56.048 -0.067 0.000 1.142 92 H CB -1.769 28.000 29.762 0.012 0.000 1.576 92 H HN -0.060 nan 8.280 nan 0.000 0.420 93 V N 0.082 119.995 119.914 -0.002 0.000 2.444 93 V HA 0.484 4.586 4.120 -0.029 0.000 0.294 93 V C 1.208 177.310 176.094 0.013 0.000 1.022 93 V CA -0.302 62.012 62.300 0.023 0.000 0.850 93 V CB 2.179 34.035 31.823 0.056 0.000 0.992 93 V HN 0.702 nan 8.190 nan 0.000 0.426 94 G N 4.116 112.925 108.800 0.016 0.000 2.588 94 G HA2 0.414 4.357 3.960 -0.029 0.000 0.297 94 G HA3 0.414 4.357 3.960 -0.029 0.000 0.297 94 G C -0.385 174.567 174.900 0.087 0.000 0.874 94 G CA 0.051 45.177 45.100 0.043 0.000 1.607 94 G HN 0.530 nan 8.290 nan 0.000 0.486 95 V N 4.045 124.013 119.914 0.089 0.000 2.448 95 V HA 0.374 4.477 4.120 -0.029 0.000 0.295 95 V C -0.184 175.983 176.094 0.120 0.000 1.025 95 V CA -0.971 61.392 62.300 0.105 0.000 0.859 95 V CB 1.683 33.556 31.823 0.083 0.000 0.988 95 V HN 0.600 nan 8.190 nan 0.000 0.431 96 L N 4.832 126.129 121.223 0.123 0.000 2.282 96 L HA 0.501 4.824 4.340 -0.029 0.000 0.288 96 L C -0.257 176.707 176.870 0.157 0.000 1.033 96 L CA 0.160 55.070 54.840 0.117 0.000 0.807 96 L CB 0.836 42.940 42.059 0.075 0.000 1.209 96 L HN 0.786 nan 8.230 nan 0.000 0.423 97 H N 5.056 124.137 119.070 0.018 0.000 2.638 97 H HA 0.475 5.013 4.556 -0.030 0.000 0.303 97 H C -1.387 173.866 175.328 -0.123 0.000 1.034 97 H CA -0.964 55.078 56.048 -0.009 0.000 1.225 97 H CB 1.270 31.055 29.762 0.039 0.000 1.394 97 H HN 0.506 nan 8.280 nan 0.000 0.477 98 V N 6.773 126.658 119.914 -0.047 0.000 2.432 98 V HA 0.098 4.201 4.120 -0.029 0.000 0.275 98 V C 0.065 175.991 176.094 -0.280 0.000 1.043 98 V CA -0.498 61.682 62.300 -0.201 0.000 0.925 98 V CB 1.259 33.029 31.823 -0.087 0.000 0.985 98 V HN 0.573 nan 8.190 nan 0.000 0.466 99 V N 4.273 123.926 119.914 -0.434 0.000 2.448 99 V HA 0.892 4.995 4.120 -0.029 0.000 0.295 99 V C 0.410 176.448 176.094 -0.093 0.000 1.025 99 V CA -0.166 61.969 62.300 -0.274 0.000 0.859 99 V CB 1.431 33.029 31.823 -0.375 0.000 0.988 99 V HN 0.895 nan 8.190 nan 0.000 0.431 100 G N 5.037 113.860 108.800 0.039 0.000 2.364 100 G HA2 0.536 4.478 3.960 -0.029 0.000 0.267 100 G HA3 0.536 4.478 3.960 -0.029 0.000 0.267 100 G C -0.658 174.357 174.900 0.192 0.000 1.233 100 G CA -0.219 44.947 45.100 0.110 0.000 0.885 100 G HN 1.013 nan 8.290 nan 0.000 0.490 101 V N 4.569 124.519 119.914 0.060 0.000 2.960 101 V HA 0.472 4.575 4.120 -0.029 0.000 0.315 101 V C -2.036 173.768 176.094 -0.483 0.000 1.087 101 V CA -1.754 60.440 62.300 -0.176 0.000 0.982 101 V CB 2.688 34.493 31.823 -0.030 0.000 1.039 101 V HN 0.573 nan 8.190 nan 0.000 0.437 102 P HA 0.094 nan 4.420 nan 0.000 0.268 102 P C 0.598 177.623 177.300 -0.459 0.000 1.208 102 P CA 0.059 62.537 63.100 -1.037 0.000 0.777 102 P CB 0.298 31.316 31.700 -1.137 0.000 0.875 103 S N 1.427 116.982 115.700 -0.241 0.000 2.574 103 S HA -0.182 4.271 4.470 -0.029 0.000 0.261 103 S C 1.018 175.523 174.600 -0.160 0.000 0.973 103 S CA 0.719 58.844 58.200 -0.125 0.000 0.964 103 S CB -1.365 61.806 63.200 -0.048 0.000 0.744 103 S HN 0.540 nan 8.310 nan 0.000 0.536 104 I N -0.025 120.404 120.570 -0.235 0.000 5.780 104 I HA -0.263 3.889 4.170 -0.029 0.000 0.126 104 I C 0.054 176.054 176.117 -0.194 0.000 1.817 104 I CA 0.175 61.355 61.300 -0.200 0.000 2.038 104 I CB -2.162 35.764 38.000 -0.125 0.000 3.390 104 I HN 0.297 nan 8.210 nan 0.000 0.169 115 H N 1.804 120.974 119.070 0.167 0.000 2.976 115 H HA -0.105 4.433 4.556 -0.030 0.000 0.273 115 H C -0.572 174.907 175.328 0.251 0.000 1.259 115 H CA 1.143 57.269 56.048 0.130 0.000 1.122 115 H CB -2.184 27.678 29.762 0.167 0.000 1.298 115 H HN 0.554 nan 8.280 nan 0.000 0.379 116 T N 0.198 114.942 114.554 0.317 0.000 2.907 116 T HA 0.434 4.767 4.350 -0.029 0.000 0.290 116 T C 1.258 176.060 174.700 0.170 0.000 1.066 116 T CA -0.978 61.281 62.100 0.265 0.000 1.012 116 T CB 1.916 70.817 68.868 0.054 0.000 1.184 116 T HN -0.061 nan 8.240 nan 0.000 0.522 117 L N 1.432 122.717 121.223 0.104 0.000 2.610 117 L HA 0.275 4.597 4.340 -0.029 0.000 0.232 117 L C 1.950 178.831 176.870 0.019 0.000 1.149 117 L CA 1.215 56.087 54.840 0.053 0.000 0.872 117 L CB -1.530 40.522 42.059 -0.012 0.000 0.992 117 L HN 1.201 nan 8.230 nan 0.000 0.447 118 G N 0.280 109.090 108.800 0.016 0.000 2.162 118 G HA2 -0.360 3.583 3.960 -0.029 0.000 0.260 118 G HA3 -0.360 3.583 3.960 -0.029 0.000 0.260 118 G C 0.810 175.709 174.900 -0.002 0.000 0.976 118 G CA 0.645 45.756 45.100 0.018 0.000 0.655 118 G HN 0.532 nan 8.290 nan 0.000 0.533 119 N N 0.002 118.680 118.700 -0.036 0.000 2.203 119 N HA 0.383 5.106 4.740 -0.029 0.000 0.207 119 N C 1.613 177.104 175.510 -0.032 0.000 1.130 119 N CA 0.748 53.778 53.050 -0.034 0.000 0.861 119 N CB -0.047 38.413 38.487 -0.046 0.000 1.005 119 N HN 1.529 nan 8.380 nan 0.000 0.507 120 G N 0.323 109.095 108.800 -0.047 0.000 2.184 120 G HA2 -0.294 3.648 3.960 -0.029 0.000 0.264 120 G HA3 -0.294 3.648 3.960 -0.029 0.000 0.264 120 G C -0.535 174.376 174.900 0.019 0.000 0.975 120 G CA 0.400 45.516 45.100 0.026 0.000 0.642 120 G HN 0.606 nan 8.290 nan 0.000 0.536 121 D N -0.310 120.014 120.400 -0.127 0.000 2.380 121 D HA 0.512 5.134 4.640 -0.029 0.000 0.230 121 D C 0.767 176.920 176.300 -0.245 0.000 1.154 121 D CA -0.901 53.038 54.000 -0.101 0.000 0.859 121 D CB -0.094 40.626 40.800 -0.133 0.000 1.045 121 D HN 0.056 nan 8.370 nan 0.000 0.495 122 F N 1.359 121.333 119.950 0.040 0.000 2.797 122 F HA 0.036 4.545 4.527 -0.031 0.000 0.302 122 F C 2.329 178.214 175.800 0.141 0.000 1.130 122 F CA 0.420 58.516 58.000 0.160 0.000 1.387 122 F CB 0.383 39.427 39.000 0.073 0.000 1.107 122 F HN 0.402 nan 8.300 nan 0.000 0.577 123 T N -4.923 109.692 114.554 0.102 0.000 2.990 123 T HA 0.022 4.355 4.350 -0.029 0.000 0.250 123 T C 1.987 176.626 174.700 -0.101 0.000 1.041 123 T CA 0.716 62.860 62.100 0.074 0.000 1.010 123 T CB -0.503 68.388 68.868 0.038 0.000 1.003 123 T HN 0.055 nan 8.240 nan 0.000 0.499 124 V N 1.612 121.338 119.914 -0.313 0.000 2.250 124 V HA -0.210 3.893 4.120 -0.029 0.000 0.250 124 V C 2.101 177.957 176.094 -0.397 0.000 1.060 124 V CA 2.289 64.326 62.300 -0.439 0.000 1.030 124 V CB -0.923 30.550 31.823 -0.583 0.000 0.643 124 V HN 0.539 nan 8.190 nan 0.000 0.445 125 F N 0.296 120.207 119.950 -0.065 0.000 2.134 125 F HA -0.076 4.438 4.527 -0.022 0.000 0.299 125 F C 2.480 178.223 175.800 -0.094 0.000 1.097 125 F CA 1.796 59.743 58.000 -0.089 0.000 1.264 125 F CB -1.723 37.179 39.000 -0.164 0.000 1.001 125 F HN 0.382 nan 8.300 nan 0.000 0.479 126 H N 1.200 120.230 119.070 -0.066 0.000 2.319 126 H HA -0.119 4.428 4.556 -0.016 0.000 0.297 126 H C 2.366 177.475 175.328 -0.364 0.000 1.097 126 H CA 1.972 57.803 56.048 -0.361 0.000 1.285 126 H CB -0.340 29.390 29.762 -0.054 0.000 1.368 126 H HN 0.119 nan 8.280 nan 0.000 0.495 127 R N -0.727 119.658 120.500 -0.192 0.000 2.081 127 R HA -0.120 4.203 4.340 -0.029 0.000 0.235 127 R C 2.732 178.935 176.300 -0.162 0.000 1.131 127 R CA 1.758 57.718 56.100 -0.233 0.000 0.960 127 R CB -0.174 30.016 30.300 -0.183 0.000 0.856 127 R HN 0.385 nan 8.270 nan 0.000 0.436 128 M N -0.560 118.974 119.600 -0.109 0.000 2.117 128 M HA -0.154 4.309 4.480 -0.029 0.000 0.262 128 M C 2.303 178.549 176.300 -0.089 0.000 1.065 128 M CA 1.544 56.804 55.300 -0.067 0.000 1.114 128 M CB -0.064 32.541 32.600 0.008 0.000 1.361 128 M HN 0.037 nan 8.290 nan 0.000 0.408 129 S N 0.166 115.788 115.700 -0.130 0.000 2.423 129 S HA -0.019 4.434 4.470 -0.029 0.000 0.231 129 S C 1.966 176.476 174.600 -0.150 0.000 1.014 129 S CA 0.996 59.112 58.200 -0.139 0.000 0.965 129 S CB -0.269 62.758 63.200 -0.289 0.000 0.785 129 S HN 0.540 nan 8.310 nan 0.000 0.495 130 A N 2.515 125.233 122.820 -0.171 0.000 2.032 130 A HA -0.161 4.141 4.320 -0.029 0.000 0.221 130 A C 1.752 179.259 177.584 -0.129 0.000 1.165 130 A CA 1.437 53.403 52.037 -0.118 0.000 0.645 130 A CB -0.532 18.384 19.000 -0.140 0.000 0.807 130 A HN 0.561 nan 8.150 nan 0.000 0.453 131 N N -0.189 118.416 118.700 -0.157 0.000 2.494 131 N HA 0.006 4.729 4.740 -0.029 0.000 0.182 131 N C 1.055 176.346 175.510 -0.366 0.000 1.076 131 N CA 1.453 54.386 53.050 -0.196 0.000 0.908 131 N CB 0.027 38.427 38.487 -0.146 0.000 0.967 131 N HN 0.822 nan 8.380 nan 0.000 0.449 132 I N -2.942 117.404 120.570 -0.373 0.000 3.658 132 I HA 0.365 4.517 4.170 -0.029 0.000 0.328 132 I C -0.530 175.330 176.117 -0.428 0.000 1.567 132 I CA -0.395 60.543 61.300 -0.602 0.000 1.078 132 I CB 0.492 38.297 38.000 -0.325 0.000 1.267 132 I HN -0.288 nan 8.210 nan 0.000 0.495 133 S N 0.697 116.254 115.700 -0.239 0.000 2.548 133 S HA 0.314 4.766 4.470 -0.029 0.000 0.286 133 S C 0.552 175.264 174.600 0.188 0.000 1.098 133 S CA -0.416 57.826 58.200 0.070 0.000 0.930 133 S CB 2.720 65.981 63.200 0.102 0.000 1.070 133 S HN 0.302 nan 8.310 nan 0.000 0.480 134 E N 1.596 121.953 120.200 0.262 0.000 2.072 134 E HA -0.004 4.329 4.350 -0.029 0.000 0.191 134 E C 0.735 177.426 176.600 0.152 0.000 0.985 134 E CA 1.388 57.920 56.400 0.221 0.000 0.801 134 E CB 0.213 30.006 29.700 0.154 0.000 0.750 134 E HN 0.587 nan 8.360 nan 0.000 0.452 135 T N -1.982 112.659 114.554 0.145 0.000 2.762 135 T HA 0.562 4.895 4.350 -0.029 0.000 0.301 135 T C -1.472 173.326 174.700 0.163 0.000 1.299 135 T CA -0.146 62.032 62.100 0.129 0.000 1.005 135 T CB 1.194 70.129 68.868 0.113 0.000 1.377 135 T HN 0.173 nan 8.240 nan 0.000 0.504 136 T N -0.544 114.118 114.554 0.181 0.000 2.900 136 T HA 0.867 5.199 4.350 -0.029 0.000 0.303 136 T C -1.154 173.679 174.700 0.222 0.000 1.142 136 T CA -0.495 61.766 62.100 0.267 0.000 1.007 136 T CB 1.533 70.639 68.868 0.397 0.000 1.156 136 T HN 1.139 nan 8.240 nan 0.000 0.490 137 A N 2.052 124.970 122.820 0.163 0.000 2.486 137 A HA 0.815 5.118 4.320 -0.029 0.000 0.300 137 A C -0.934 176.645 177.584 -0.008 0.000 1.048 137 A CA -0.916 51.173 52.037 0.088 0.000 0.696 137 A CB 1.931 20.961 19.000 0.049 0.000 1.278 137 A HN 1.026 nan 8.150 nan 0.000 0.405 138 M N 4.237 123.839 119.600 0.004 0.000 2.006 138 M HA 0.455 4.917 4.480 -0.029 0.000 0.314 138 M C -1.145 175.152 176.300 -0.005 0.000 0.926 138 M CA -0.744 54.536 55.300 -0.033 0.000 0.906 138 M CB 0.151 32.769 32.600 0.031 0.000 1.422 138 M HN 0.543 nan 8.290 nan 0.000 0.397 139 I N 3.730 124.280 120.570 -0.033 0.000 2.634 139 I HA 0.243 4.396 4.170 -0.029 0.000 0.284 139 I C 0.727 176.826 176.117 -0.030 0.000 1.124 139 I CA 0.202 61.483 61.300 -0.030 0.000 1.417 139 I CB 0.425 38.397 38.000 -0.046 0.000 1.396 139 I HN 0.877 nan 8.210 nan 0.000 0.571 140 T N -0.949 113.590 114.554 -0.025 0.000 3.046 140 T HA 0.131 4.463 4.350 -0.029 0.000 0.270 140 T C 0.006 174.686 174.700 -0.033 0.000 0.920 140 T CA -0.284 61.798 62.100 -0.030 0.000 0.874 140 T CB 0.282 69.139 68.868 -0.018 0.000 1.214 140 T HN 0.538 nan 8.240 nan 0.000 0.536 141 D N 0.774 121.154 120.400 -0.034 0.000 2.629 141 D HA 0.476 5.099 4.640 -0.029 0.000 0.250 141 D C 0.951 177.222 176.300 -0.048 0.000 1.126 141 D CA -0.995 52.983 54.000 -0.037 0.000 0.852 141 D CB 1.428 42.210 40.800 -0.029 0.000 1.335 141 D HN 0.040 nan 8.370 nan 0.000 0.518 142 I N 2.732 123.270 120.570 -0.053 0.000 2.394 142 I HA 0.023 4.176 4.170 -0.029 0.000 0.251 142 I C 2.264 178.335 176.117 -0.078 0.000 1.136 142 I CA 1.141 62.400 61.300 -0.070 0.000 1.425 142 I CB -1.244 36.716 38.000 -0.067 0.000 1.079 142 I HN 0.397 nan 8.210 nan 0.000 0.425 143 A N -0.329 122.455 122.820 -0.060 0.000 2.019 143 A HA -0.173 4.130 4.320 -0.029 0.000 0.219 143 A C 2.447 179.995 177.584 -0.060 0.000 1.164 143 A CA 2.363 54.366 52.037 -0.057 0.000 0.644 143 A CB -1.054 17.922 19.000 -0.040 0.000 0.805 143 A HN 0.474 nan 8.150 nan 0.000 0.449 144 T N -1.697 112.824 114.554 -0.055 0.000 3.014 144 T HA 0.375 4.708 4.350 -0.029 0.000 0.250 144 T C 1.970 176.633 174.700 -0.061 0.000 1.060 144 T CA 0.887 62.958 62.100 -0.047 0.000 1.040 144 T CB -0.244 68.607 68.868 -0.028 0.000 0.971 144 T HN 0.516 nan 8.240 nan 0.000 0.497 145 A N 2.741 125.511 122.820 -0.083 0.000 1.869 145 A HA -0.074 4.228 4.320 -0.029 0.000 0.218 145 A C -0.023 177.485 177.584 -0.127 0.000 1.203 145 A CA 1.817 53.794 52.037 -0.099 0.000 0.638 145 A CB -1.754 17.183 19.000 -0.105 0.000 0.831 145 A HN 0.383 nan 8.150 nan 0.000 0.450 146 P HA -0.210 nan 4.420 nan 0.000 0.215 146 P C 1.787 179.056 177.300 -0.052 0.000 1.163 146 P CA 2.280 65.182 63.100 -0.330 0.000 0.894 146 P CB -0.225 31.110 31.700 -0.609 0.000 0.791 147 A N -0.192 122.605 122.820 -0.038 0.000 1.940 147 A HA -0.247 4.056 4.320 -0.029 0.000 0.219 147 A C 2.202 179.801 177.584 0.025 0.000 1.176 147 A CA 1.697 53.741 52.037 0.011 0.000 0.631 147 A CB -1.145 17.856 19.000 0.002 0.000 0.814 147 A HN 0.122 nan 8.150 nan 0.000 0.446 148 E N -0.296 119.910 120.200 0.010 0.000 2.072 148 E HA -0.131 4.202 4.350 -0.029 0.000 0.191 148 E C 2.000 178.618 176.600 0.031 0.000 0.985 148 E CA 0.993 57.404 56.400 0.019 0.000 0.801 148 E CB -0.349 29.353 29.700 0.004 0.000 0.750 148 E HN 0.731 nan 8.360 nan 0.000 0.452 149 I N 1.615 122.210 120.570 0.042 0.000 2.179 149 I HA -0.280 3.872 4.170 -0.029 0.000 0.242 149 I C 1.910 178.069 176.117 0.070 0.000 1.088 149 I CA 1.249 62.587 61.300 0.062 0.000 1.357 149 I CB -0.167 37.919 38.000 0.144 0.000 1.051 149 I HN -0.042 nan 8.210 nan 0.000 0.409 150 D N 0.314 120.776 120.400 0.102 0.000 2.104 150 D HA -0.231 4.391 4.640 -0.029 0.000 0.194 150 D C 2.169 178.504 176.300 0.059 0.000 0.994 150 D CA 1.170 55.217 54.000 0.078 0.000 0.830 150 D CB -0.361 40.493 40.800 0.091 0.000 0.959 150 D HN 0.212 nan 8.370 nan 0.000 0.452 151 R N 0.252 120.787 120.500 0.058 0.000 2.083 151 R HA -0.142 4.181 4.340 -0.029 0.000 0.237 151 R C 2.184 178.524 176.300 0.066 0.000 1.137 151 R CA 1.720 57.857 56.100 0.060 0.000 0.951 151 R CB -0.521 29.812 30.300 0.055 0.000 0.851 151 R HN 0.212 nan 8.270 nan 0.000 0.434 152 C N 0.247 119.582 119.300 0.058 0.000 2.425 152 C HA -0.036 4.407 4.460 -0.029 0.000 0.277 152 C C 2.558 177.588 174.990 0.067 0.000 1.280 152 C CA 0.406 59.461 59.018 0.062 0.000 1.744 152 C CB -0.804 26.962 27.740 0.044 0.000 1.989 152 C HN 0.524 nan 8.230 nan 0.000 0.491 153 I N 0.492 121.094 120.570 0.053 0.000 2.202 153 I HA -0.187 3.966 4.170 -0.029 0.000 0.242 153 I C 2.876 179.047 176.117 0.091 0.000 1.091 153 I CA 1.421 62.752 61.300 0.051 0.000 1.368 153 I CB -0.619 37.385 38.000 0.007 0.000 1.058 153 I HN 0.296 nan 8.210 nan 0.000 0.410 154 R N 0.714 121.264 120.500 0.083 0.000 2.094 154 R HA -0.201 4.122 4.340 -0.029 0.000 0.239 154 R C 2.277 178.665 176.300 0.148 0.000 1.137 154 R CA 2.462 58.632 56.100 0.117 0.000 0.943 154 R CB -0.456 29.899 30.300 0.091 0.000 0.850 154 R HN 0.275 nan 8.270 nan 0.000 0.433 155 T N 0.099 114.724 114.554 0.118 0.000 2.708 155 T HA -0.120 4.212 4.350 -0.029 0.000 0.266 155 T C 1.769 176.539 174.700 0.117 0.000 1.037 155 T CA 1.919 64.087 62.100 0.114 0.000 1.146 155 T CB -0.414 68.515 68.868 0.101 0.000 0.865 155 T HN 0.413 nan 8.240 nan 0.000 0.435 156 T N 0.910 115.538 114.554 0.122 0.000 2.652 156 T HA -0.142 4.191 4.350 -0.029 0.000 0.267 156 T C 1.630 176.406 174.700 0.128 0.000 1.039 156 T CA 1.496 63.667 62.100 0.119 0.000 1.153 156 T CB -0.559 68.383 68.868 0.124 0.000 0.863 156 T HN 0.445 nan 8.240 nan 0.000 0.428 157 Y N 1.276 121.595 120.300 0.031 0.000 2.145 157 Y HA -0.125 4.407 4.550 -0.030 0.000 0.286 157 Y C 2.364 178.272 175.900 0.013 0.000 1.145 157 Y CA 0.905 59.015 58.100 0.016 0.000 1.148 157 Y CB -0.510 37.960 38.460 0.017 0.000 0.981 157 Y HN -0.035 nan 8.280 nan 0.000 0.507 158 V N -0.363 119.603 119.914 0.087 0.000 2.379 158 V HA -0.246 3.857 4.120 -0.029 0.000 0.245 158 V C 2.506 178.627 176.094 0.044 0.000 1.044 158 V CA 2.326 64.637 62.300 0.018 0.000 1.036 158 V CB -1.026 30.865 31.823 0.113 0.000 0.664 158 V HN 0.684 nan 8.190 nan 0.000 0.453 159 T N -3.444 111.157 114.554 0.079 0.000 3.023 159 T HA -0.129 4.204 4.350 -0.029 0.000 0.266 159 T C 0.985 175.741 174.700 0.092 0.000 1.093 159 T CA 0.499 62.678 62.100 0.131 0.000 1.129 159 T CB -0.122 68.809 68.868 0.105 0.000 0.899 159 T HN 0.417 nan 8.240 nan 0.000 0.491 160 Q N 0.576 120.348 119.800 -0.047 0.000 2.470 160 Q HA -0.121 4.201 4.340 -0.029 0.000 0.294 160 Q C -0.500 175.472 176.000 -0.047 0.000 1.356 160 Q CA 0.772 56.510 55.803 -0.110 0.000 0.805 160 Q CB -1.561 26.992 28.738 -0.309 0.000 1.157 160 Q HN 0.730 nan 8.270 nan 0.000 0.431 161 R N -0.386 120.094 120.500 -0.033 0.000 2.698 161 R HA 0.493 4.815 4.340 -0.029 0.000 0.275 161 R C -2.565 173.766 176.300 0.051 0.000 1.001 161 R CA -2.050 54.010 56.100 -0.065 0.000 0.896 161 R CB 1.881 32.069 30.300 -0.187 0.000 1.218 161 R HN -0.156 nan 8.270 nan 0.000 0.462 162 P HA 0.063 nan 4.420 nan 0.000 0.268 162 P C -0.874 176.530 177.300 0.173 0.000 1.205 162 P CA -0.145 63.039 63.100 0.140 0.000 0.771 162 P CB 0.665 32.451 31.700 0.143 0.000 0.858 163 V N 3.551 123.567 119.914 0.170 0.000 2.735 163 V HA 0.323 4.426 4.120 -0.029 0.000 0.310 163 V C -0.943 175.275 176.094 0.205 0.000 1.061 163 V CA -0.689 61.716 62.300 0.175 0.000 0.913 163 V CB 1.953 33.853 31.823 0.129 0.000 1.005 163 V HN 0.405 nan 8.190 nan 0.000 0.428 164 Y N 4.861 125.202 120.300 0.070 0.000 2.331 164 Y HA 0.681 5.218 4.550 -0.020 0.000 0.338 164 Y C -0.695 175.177 175.900 -0.047 0.000 0.976 164 Y CA -0.597 57.511 58.100 0.012 0.000 1.137 164 Y CB 1.322 39.802 38.460 0.032 0.000 1.172 164 Y HN 0.573 nan 8.280 nan 0.000 0.478 165 L N 6.789 127.752 121.223 -0.433 0.000 2.342 165 L HA 0.639 4.961 4.340 -0.029 0.000 0.276 165 L C -0.273 176.307 176.870 -0.484 0.000 0.997 165 L CA -0.630 54.025 54.840 -0.309 0.000 0.838 165 L CB 0.825 42.783 42.059 -0.169 0.000 1.224 165 L HN 0.920 nan 8.230 nan 0.000 0.416 166 G N 5.024 113.602 108.800 -0.371 0.000 2.320 166 G HA2 0.478 4.420 3.960 -0.029 0.000 0.300 166 G HA3 0.478 4.420 3.960 -0.029 0.000 0.300 166 G C -1.206 173.605 174.900 -0.149 0.000 1.126 166 G CA -0.346 44.589 45.100 -0.275 0.000 0.896 166 G HN 0.417 nan 8.290 nan 0.000 0.436 167 L N 5.129 126.277 121.223 -0.125 0.000 2.366 167 L HA 0.435 4.758 4.340 -0.029 0.000 0.266 167 L C -2.234 174.604 176.870 -0.053 0.000 1.010 167 L CA -2.130 52.661 54.840 -0.083 0.000 0.879 167 L CB 2.004 44.009 42.059 -0.090 0.000 1.228 167 L HN 0.256 nan 8.230 nan 0.000 0.439 168 P HA 0.026 nan 4.420 nan 0.000 0.264 168 P C 0.230 177.514 177.300 -0.027 0.000 1.183 168 P CA 0.263 63.321 63.100 -0.070 0.000 0.763 168 P CB 0.865 32.513 31.700 -0.086 0.000 0.807 169 A N 4.297 127.124 122.820 0.012 0.000 2.015 169 A HA -0.186 4.116 4.320 -0.029 0.000 0.219 169 A C 1.786 179.385 177.584 0.025 0.000 1.163 169 A CA 1.539 53.611 52.037 0.059 0.000 0.646 169 A CB -1.056 18.038 19.000 0.157 0.000 0.806 169 A HN 0.703 nan 8.150 nan 0.000 0.448 170 N N 0.324 119.025 118.700 0.002 0.000 2.459 170 N HA -0.063 4.660 4.740 -0.029 0.000 0.181 170 N C 1.397 176.897 175.510 -0.016 0.000 1.046 170 N CA 1.023 54.068 53.050 -0.008 0.000 0.904 170 N CB -0.374 38.100 38.487 -0.022 0.000 0.964 170 N HN 0.515 nan 8.380 nan 0.000 0.444 171 L N 0.797 122.006 121.223 -0.023 0.000 2.249 171 L HA 0.049 4.371 4.340 -0.029 0.000 0.207 171 L C 2.432 179.287 176.870 -0.025 0.000 1.090 171 L CA 0.399 55.221 54.840 -0.030 0.000 0.802 171 L CB -0.211 41.823 42.059 -0.042 0.000 0.947 171 L HN 0.069 nan 8.230 nan 0.000 0.453 172 V N -2.261 117.644 119.914 -0.015 0.000 2.828 172 V HA -0.207 3.895 4.120 -0.029 0.000 0.260 172 V C 1.294 177.391 176.094 0.006 0.000 1.101 172 V CA 1.922 64.219 62.300 -0.005 0.000 1.123 172 V CB -0.433 31.392 31.823 0.004 0.000 0.704 172 V HN 0.368 nan 8.190 nan 0.000 0.493 173 D N -0.114 120.287 120.400 0.002 0.000 2.369 173 D HA 0.256 4.878 4.640 -0.029 0.000 0.211 173 D C 0.242 176.540 176.300 -0.002 0.000 1.077 173 D CA -0.052 53.952 54.000 0.006 0.000 0.842 173 D CB 0.526 41.330 40.800 0.007 0.000 0.947 173 D HN 0.385 nan 8.370 nan 0.000 0.509 174 L N 1.585 122.801 121.223 -0.012 0.000 2.350 174 L HA 0.179 4.502 4.340 -0.029 0.000 0.275 174 L C 0.573 177.429 176.870 -0.023 0.000 1.099 174 L CA -0.414 54.413 54.840 -0.020 0.000 0.808 174 L CB 0.795 42.836 42.059 -0.030 0.000 1.149 174 L HN -0.184 nan 8.230 nan 0.000 0.442 175 N N 1.663 120.349 118.700 -0.022 0.000 2.530 175 N HA 0.363 5.086 4.740 -0.029 0.000 0.273 175 N C -0.736 174.747 175.510 -0.045 0.000 1.173 175 N CA -0.143 52.895 53.050 -0.021 0.000 0.967 175 N CB 1.985 40.465 38.487 -0.012 0.000 1.109 175 N HN 0.259 nan 8.380 nan 0.000 0.453 176 V N 2.636 122.523 119.914 -0.046 0.000 3.078 176 V HA 0.389 4.492 4.120 -0.029 0.000 0.311 176 V C -2.358 173.711 176.094 -0.042 0.000 1.138 176 V CA -2.113 60.135 62.300 -0.088 0.000 1.007 176 V CB 2.681 34.391 31.823 -0.187 0.000 1.045 176 V HN 0.519 nan 8.190 nan 0.000 0.432 177 P HA 0.174 nan 4.420 nan 0.000 0.271 177 P C 0.200 177.520 177.300 0.034 0.000 1.233 177 P CA 0.102 63.199 63.100 -0.005 0.000 0.764 177 P CB 0.828 32.521 31.700 -0.012 0.000 0.825 178 A N 5.189 128.040 122.820 0.051 0.000 2.070 178 A HA -0.214 4.089 4.320 -0.029 0.000 0.220 178 A C 1.761 179.391 177.584 0.077 0.000 1.159 178 A CA 1.372 53.457 52.037 0.080 0.000 0.656 178 A CB -0.898 18.136 19.000 0.056 0.000 0.800 178 A HN 0.621 nan 8.150 nan 0.000 0.453 179 K N 0.036 120.468 120.400 0.053 0.000 2.360 179 K HA -0.009 4.294 4.320 -0.029 0.000 0.201 179 K C 1.481 178.118 176.600 0.061 0.000 1.046 179 K CA 1.245 57.559 56.287 0.044 0.000 0.945 179 K CB -0.548 31.969 32.500 0.028 0.000 0.750 179 K HN 0.445 nan 8.250 nan 0.000 0.464 180 L N 1.045 122.325 121.223 0.095 0.000 2.046 180 L HA -0.144 4.179 4.340 -0.029 0.000 0.208 180 L C 2.262 179.218 176.870 0.145 0.000 1.077 180 L CA 1.091 56.012 54.840 0.136 0.000 0.747 180 L CB -0.509 41.657 42.059 0.179 0.000 0.896 180 L HN 0.165 nan 8.230 nan 0.000 0.432 181 L N -0.047 121.257 121.223 0.135 0.000 2.450 181 L HA -0.198 4.124 4.340 -0.029 0.000 0.224 181 L C 2.615 179.489 176.870 0.008 0.000 1.149 181 L CA 0.803 55.658 54.840 0.026 0.000 0.816 181 L CB -0.528 41.520 42.059 -0.018 0.000 0.932 181 L HN 0.434 nan 8.230 nan 0.000 0.449 182 Q N -0.612 119.204 119.800 0.027 0.000 2.297 182 Q HA -0.045 4.277 4.340 -0.029 0.000 0.204 182 Q C 0.170 176.177 176.000 0.012 0.000 0.962 182 Q CA 0.920 56.732 55.803 0.015 0.000 0.879 182 Q CB -0.036 28.713 28.738 0.018 0.000 0.947 182 Q HN 0.244 nan 8.270 nan 0.000 0.462 183 T N 4.415 118.982 114.554 0.020 0.000 2.801 183 T HA 0.363 4.696 4.350 -0.029 0.000 0.306 183 T C -2.487 172.220 174.700 0.013 0.000 1.020 183 T CA -1.519 60.592 62.100 0.018 0.000 0.948 183 T CB 1.387 70.271 68.868 0.028 0.000 0.962 183 T HN 0.245 nan 8.240 nan 0.000 0.465 184 P HA 0.224 nan 4.420 nan 0.000 0.270 184 P C -0.180 177.117 177.300 -0.006 0.000 1.223 184 P CA -0.481 62.609 63.100 -0.017 0.000 0.785 184 P CB 0.872 32.557 31.700 -0.024 0.000 0.923 185 I N 1.225 121.782 120.570 -0.022 0.000 2.556 185 I HA 0.002 4.154 4.170 -0.029 0.000 0.284 185 I C 0.990 177.108 176.117 0.001 0.000 1.114 185 I CA 0.191 61.488 61.300 -0.005 0.000 1.418 185 I CB -0.111 37.874 38.000 -0.025 0.000 1.394 185 I HN 0.346 nan 8.210 nan 0.000 0.552 186 D N 6.926 127.342 120.400 0.026 0.000 2.317 186 D HA 0.167 4.790 4.640 -0.029 0.000 0.252 186 D C 0.537 176.875 176.300 0.063 0.000 1.174 186 D CA -0.256 53.768 54.000 0.040 0.000 0.866 186 D CB 0.810 41.638 40.800 0.047 0.000 1.127 186 D HN 0.307 nan 8.370 nan 0.000 0.467 187 M N 2.120 121.766 119.600 0.077 0.000 2.453 187 M HA 0.066 4.529 4.480 -0.029 0.000 0.239 187 M C 0.513 176.895 176.300 0.136 0.000 1.151 187 M CA -0.105 55.278 55.300 0.140 0.000 0.989 187 M CB -1.195 31.532 32.600 0.213 0.000 1.548 187 M HN 0.402 nan 8.290 nan 0.000 0.479 188 S N 1.229 116.994 115.700 0.108 0.000 2.560 188 S HA 0.410 4.862 4.470 -0.029 0.000 0.284 188 S C 0.042 174.723 174.600 0.135 0.000 1.327 188 S CA -0.422 57.847 58.200 0.114 0.000 1.055 188 S CB 1.056 64.319 63.200 0.105 0.000 0.868 188 S HN 0.413 nan 8.310 nan 0.000 0.506 189 L N 2.419 123.743 121.223 0.169 0.000 2.379 189 L HA 0.422 4.745 4.340 -0.029 0.000 0.269 189 L C 0.866 177.914 176.870 0.297 0.000 1.084 189 L CA -0.825 54.151 54.840 0.226 0.000 0.802 189 L CB 0.896 43.074 42.059 0.198 0.000 1.175 189 L HN 0.712 nan 8.230 nan 0.000 0.448 190 K N 2.670 123.213 120.400 0.237 0.000 2.326 190 K HA 0.238 4.541 4.320 -0.029 0.000 0.275 190 K C -2.199 174.453 176.600 0.086 0.000 1.018 190 K CA -1.469 54.903 56.287 0.141 0.000 0.962 190 K CB 0.704 33.261 32.500 0.096 0.000 0.953 190 K HN 0.289 nan 8.250 nan 0.000 0.475 191 P HA 0.034 nan 4.420 nan 0.000 0.272 191 P C -0.702 176.389 177.300 -0.348 0.000 1.240 191 P CA -0.317 62.459 63.100 -0.539 0.000 0.791 191 P CB 0.524 32.008 31.700 -0.361 0.000 0.978 192 N N 0.172 118.608 118.700 -0.440 0.000 2.463 192 N HA 0.102 4.825 4.740 -0.029 0.000 0.270 192 N C -0.330 175.112 175.510 -0.112 0.000 1.205 192 N CA -0.267 52.684 53.050 -0.164 0.000 0.974 192 N CB -0.068 38.361 38.487 -0.096 0.000 1.197 192 N HN 0.492 nan 8.380 nan 0.000 0.504 193 D N -0.118 120.257 120.400 -0.041 0.000 2.472 193 D HA 0.135 4.757 4.640 -0.029 0.000 0.248 193 D C 0.884 177.163 176.300 -0.035 0.000 1.174 193 D CA -0.188 53.798 54.000 -0.023 0.000 0.883 193 D CB 0.633 41.441 40.800 0.012 0.000 1.149 193 D HN 0.502 nan 8.370 nan 0.000 0.488 194 A N 4.465 127.260 122.820 -0.042 0.000 1.883 194 A HA -0.202 4.100 4.320 -0.029 0.000 0.217 194 A C 1.972 179.542 177.584 -0.023 0.000 1.186 194 A CA 1.144 53.156 52.037 -0.043 0.000 0.624 194 A CB -0.442 18.534 19.000 -0.040 0.000 0.822 194 A HN 0.672 nan 8.150 nan 0.000 0.444 195 E N 0.245 120.441 120.200 -0.006 0.000 2.107 195 E HA -0.063 4.270 4.350 -0.029 0.000 0.191 195 E C 2.395 179.008 176.600 0.021 0.000 0.982 195 E CA 1.282 57.686 56.400 0.008 0.000 0.809 195 E CB -0.568 29.143 29.700 0.019 0.000 0.756 195 E HN 0.572 nan 8.360 nan 0.000 0.459 196 S N 1.088 116.811 115.700 0.038 0.000 2.368 196 S HA -0.171 4.282 4.470 -0.029 0.000 0.225 196 S C 1.938 176.511 174.600 -0.044 0.000 1.030 196 S CA 1.287 59.530 58.200 0.072 0.000 0.999 196 S CB -0.128 63.151 63.200 0.131 0.000 0.844 196 S HN 0.357 nan 8.310 nan 0.000 0.459 197 E N 1.481 121.654 120.200 -0.046 0.000 2.051 197 E HA -0.224 4.108 4.350 -0.029 0.000 0.192 197 E C 2.105 178.653 176.600 -0.087 0.000 0.991 197 E CA 1.199 57.553 56.400 -0.077 0.000 0.799 197 E CB -0.126 29.546 29.700 -0.046 0.000 0.748 197 E HN 0.412 nan 8.360 nan 0.000 0.449 198 K N 0.748 121.115 120.400 -0.055 0.000 2.063 198 K HA -0.249 4.053 4.320 -0.029 0.000 0.208 198 K C 2.165 178.728 176.600 -0.061 0.000 1.048 198 K CA 1.881 58.142 56.287 -0.044 0.000 0.928 198 K CB -0.110 32.376 32.500 -0.023 0.000 0.713 198 K HN 0.133 nan 8.250 nan 0.000 0.442 199 E N -0.141 120.021 120.200 -0.063 0.000 2.085 199 E HA -0.181 4.152 4.350 -0.029 0.000 0.194 199 E C 1.851 178.336 176.600 -0.191 0.000 0.994 199 E CA 1.460 57.820 56.400 -0.067 0.000 0.801 199 E CB 0.115 29.835 29.700 0.034 0.000 0.743 199 E HN 0.165 nan 8.360 nan 0.000 0.453 200 V N 1.076 120.773 119.914 -0.361 0.000 2.295 200 V HA -0.278 3.824 4.120 -0.029 0.000 0.246 200 V C 2.350 178.288 176.094 -0.259 0.000 1.049 200 V CA 1.765 63.767 62.300 -0.496 0.000 1.024 200 V CB -0.397 31.068 31.823 -0.598 0.000 0.648 200 V HN 0.326 nan 8.190 nan 0.000 0.447 201 I N 0.113 120.586 120.570 -0.162 0.000 2.127 201 I HA -0.272 3.880 4.170 -0.029 0.000 0.241 201 I C 2.344 178.428 176.117 -0.055 0.000 1.075 201 I CA 1.847 63.100 61.300 -0.077 0.000 1.334 201 I CB -0.533 37.444 38.000 -0.037 0.000 1.040 201 I HN 0.324 nan 8.210 nan 0.000 0.405 202 D N 0.318 120.686 120.400 -0.053 0.000 2.097 202 D HA -0.152 4.470 4.640 -0.029 0.000 0.195 202 D C 2.252 178.535 176.300 -0.027 0.000 0.989 202 D CA 1.769 55.752 54.000 -0.029 0.000 0.827 202 D CB -0.486 40.301 40.800 -0.021 0.000 0.966 202 D HN 0.276 nan 8.370 nan 0.000 0.456 203 T N 0.985 115.511 114.554 -0.048 0.000 2.746 203 T HA -0.056 4.276 4.350 -0.029 0.000 0.267 203 T C 2.232 176.913 174.700 -0.031 0.000 1.039 203 T CA 0.517 62.598 62.100 -0.032 0.000 1.142 203 T CB -0.162 68.683 68.868 -0.037 0.000 0.866 203 T HN 0.147 nan 8.240 nan 0.000 0.444 204 I N 0.704 121.241 120.570 -0.055 0.000 2.226 204 I HA -0.122 4.030 4.170 -0.029 0.000 0.245 204 I C 2.230 178.358 176.117 0.018 0.000 1.100 204 I CA 1.169 62.454 61.300 -0.025 0.000 1.374 204 I CB -0.364 37.615 38.000 -0.034 0.000 1.057 204 I HN 0.198 nan 8.210 nan 0.000 0.413 205 L N 0.406 121.639 121.223 0.017 0.000 2.131 205 L HA -0.201 4.122 4.340 -0.029 0.000 0.210 205 L C 2.840 179.729 176.870 0.032 0.000 1.092 205 L CA 1.184 56.044 54.840 0.033 0.000 0.759 205 L CB -0.734 41.339 42.059 0.023 0.000 0.903 205 L HN 0.256 nan 8.230 nan 0.000 0.435 206 A N -0.065 122.766 122.820 0.019 0.000 1.877 206 A HA -0.193 4.110 4.320 -0.029 0.000 0.216 206 A C 2.149 179.745 177.584 0.019 0.000 1.186 206 A CA 1.425 53.473 52.037 0.018 0.000 0.620 206 A CB -0.583 18.424 19.000 0.011 0.000 0.822 206 A HN 0.243 nan 8.150 nan 0.000 0.443 207 L N -0.343 120.889 121.223 0.015 0.000 2.046 207 L HA -0.116 4.206 4.340 -0.029 0.000 0.208 207 L C 2.620 179.498 176.870 0.013 0.000 1.077 207 L CA 1.433 56.278 54.840 0.008 0.000 0.747 207 L CB -0.777 41.283 42.059 0.002 0.000 0.896 207 L HN 0.208 nan 8.230 nan 0.000 0.432 208 V N -0.448 119.491 119.914 0.041 0.000 2.295 208 V HA -0.316 3.787 4.120 -0.029 0.000 0.246 208 V C 2.493 178.630 176.094 0.071 0.000 1.049 208 V CA 1.614 63.959 62.300 0.075 0.000 1.024 208 V CB -0.603 31.314 31.823 0.157 0.000 0.648 208 V HN 0.458 nan 8.190 nan 0.000 0.447 209 K N -0.011 120.428 120.400 0.066 0.000 2.074 209 K HA -0.214 4.089 4.320 -0.029 0.000 0.209 209 K C 1.459 178.089 176.600 0.050 0.000 1.048 209 K CA 1.736 58.062 56.287 0.064 0.000 0.926 209 K CB -0.319 32.210 32.500 0.049 0.000 0.713 209 K HN 0.480 nan 8.250 nan 0.000 0.444 210 D N 0.015 120.432 120.400 0.028 0.000 2.328 210 D HA 0.078 4.701 4.640 -0.029 0.000 0.221 210 D C -0.083 176.218 176.300 0.003 0.000 1.072 210 D CA 0.137 54.147 54.000 0.017 0.000 0.850 210 D CB 0.265 41.071 40.800 0.010 0.000 0.922 210 D HN 0.116 nan 8.370 nan 0.000 0.516 211 A N 0.978 123.791 122.820 -0.012 0.000 2.328 211 A HA 0.230 4.532 4.320 -0.029 0.000 0.284 211 A C 1.294 178.868 177.584 -0.018 0.000 1.160 211 A CA -0.317 51.685 52.037 -0.057 0.000 0.818 211 A CB 0.953 19.857 19.000 -0.159 0.000 1.087 211 A HN -0.191 nan 8.150 nan 0.000 0.504 212 K N 1.122 121.518 120.400 -0.007 0.000 2.244 212 K HA 0.041 4.343 4.320 -0.029 0.000 0.200 212 K C 0.057 176.708 176.600 0.085 0.000 1.052 212 K CA 0.674 56.991 56.287 0.050 0.000 0.980 212 K CB 0.170 32.683 32.500 0.021 0.000 0.838 212 K HN 0.660 nan 8.250 nan 0.000 0.481 213 N N 1.485 120.179 118.700 -0.008 0.000 2.791 213 N HA 0.168 4.890 4.740 -0.029 0.000 0.265 213 N C -2.912 172.499 175.510 -0.165 0.000 1.580 213 N CA -1.942 51.098 53.050 -0.016 0.000 0.809 213 N CB 1.103 39.584 38.487 -0.010 0.000 1.178 213 N HN -0.084 nan 8.380 nan 0.000 0.499 214 P HA 0.297 nan 4.420 nan 0.000 0.286 214 P C -0.604 176.428 177.300 -0.447 0.000 1.261 214 P CA -0.456 62.308 63.100 -0.560 0.000 0.821 214 P CB 1.803 32.800 31.700 -1.172 0.000 1.013 215 V N 0.368 120.151 119.914 -0.217 0.000 3.078 215 V HA 0.624 4.726 4.120 -0.029 0.000 0.311 215 V C -0.501 175.623 176.094 0.050 0.000 1.138 215 V CA -1.220 61.072 62.300 -0.014 0.000 1.007 215 V CB 1.946 33.799 31.823 0.051 0.000 1.045 215 V HN 0.307 nan 8.190 nan 0.000 0.432 216 I N 2.610 123.261 120.570 0.135 0.000 2.412 216 I HA 0.520 4.673 4.170 -0.029 0.000 0.296 216 I C -0.939 175.239 176.117 0.102 0.000 0.987 216 I CA -0.646 60.708 61.300 0.090 0.000 1.180 216 I CB 1.781 39.812 38.000 0.052 0.000 1.340 216 I HN 0.527 nan 8.210 nan 0.000 0.455 217 L N 6.857 128.106 121.223 0.043 0.000 2.316 217 L HA 0.661 4.984 4.340 -0.029 0.000 0.280 217 L C -0.232 176.646 176.870 0.014 0.000 1.006 217 L CA -0.279 54.588 54.840 0.045 0.000 0.836 217 L CB 1.148 43.201 42.059 -0.010 0.000 1.221 217 L HN 0.650 nan 8.230 nan 0.000 0.418 218 A N 3.901 126.737 122.820 0.026 0.000 2.252 218 A HA 0.605 4.907 4.320 -0.029 0.000 0.309 218 A C -0.471 177.111 177.584 -0.004 0.000 1.285 218 A CA -0.500 51.528 52.037 -0.016 0.000 0.900 218 A CB 0.240 19.230 19.000 -0.016 0.000 1.157 218 A HN 0.699 nan 8.150 nan 0.000 0.536 219 D N 1.728 122.112 120.400 -0.028 0.000 2.592 219 D HA 0.618 5.240 4.640 -0.029 0.000 0.259 219 D C 1.606 177.886 176.300 -0.033 0.000 1.144 219 D CA 0.287 54.274 54.000 -0.022 0.000 1.080 219 D CB 1.810 42.597 40.800 -0.020 0.000 1.225 219 D HN 0.445 nan 8.370 nan 0.000 0.619 220 A N 0.313 123.118 122.820 -0.025 0.000 1.900 220 A HA -0.275 4.027 4.320 -0.029 0.000 0.225 220 A C 2.026 179.602 177.584 -0.014 0.000 1.414 220 A CA 2.150 54.176 52.037 -0.018 0.000 0.702 220 A CB -1.170 17.829 19.000 -0.003 0.000 0.845 220 A HN 0.596 nan 8.150 nan 0.000 0.478 221 C N -1.005 118.278 119.300 -0.027 0.000 2.305 221 C HA 0.277 4.719 4.460 -0.029 0.000 0.361 221 C C 2.309 177.302 174.990 0.005 0.000 1.312 221 C CA -0.370 58.649 59.018 0.002 0.000 1.705 221 C CB -2.410 25.331 27.740 0.001 0.000 1.882 221 C HN 0.752 nan 8.230 nan 0.000 0.587 222 C N -0.225 119.060 119.300 -0.025 0.000 2.485 222 C HA 0.015 4.457 4.460 -0.029 0.000 0.278 222 C C 2.750 177.731 174.990 -0.016 0.000 1.356 222 C CA 1.453 60.445 59.018 -0.043 0.000 1.747 222 C CB -0.841 26.859 27.740 -0.066 0.000 2.001 222 C HN 0.669 nan 8.230 nan 0.000 0.501 223 S N 0.439 116.141 115.700 0.002 0.000 2.355 223 S HA 0.048 4.500 4.470 -0.029 0.000 0.216 223 S C 1.888 176.515 174.600 0.045 0.000 1.037 223 S CA 0.694 58.918 58.200 0.040 0.000 0.955 223 S CB -0.264 62.974 63.200 0.063 0.000 0.877 223 S HN 0.527 nan 8.310 nan 0.000 0.488 224 R N 0.794 121.317 120.500 0.038 0.000 2.152 224 R HA 0.047 4.370 4.340 -0.029 0.000 0.232 224 R C 0.997 177.183 176.300 -0.190 0.000 1.117 224 R CA 1.002 57.078 56.100 -0.040 0.000 0.981 224 R CB -0.382 29.899 30.300 -0.032 0.000 0.870 224 R HN 0.469 nan 8.270 nan 0.000 0.451 225 H N -0.642 118.397 119.070 -0.052 0.000 2.567 225 H HA 0.055 4.593 4.556 -0.030 0.000 0.294 225 H C 0.034 175.303 175.328 -0.099 0.000 1.050 225 H CA 0.318 56.315 56.048 -0.085 0.000 1.168 225 H CB 0.172 29.881 29.762 -0.089 0.000 1.422 225 H HN 0.153 nan 8.280 nan 0.000 0.562 226 D N -1.709 118.672 120.400 -0.032 0.000 2.394 226 D HA -0.236 4.387 4.640 -0.029 0.000 0.169 226 D C 1.021 177.300 176.300 -0.035 0.000 1.214 226 D CA 1.196 55.172 54.000 -0.039 0.000 1.131 226 D CB -1.167 39.597 40.800 -0.060 0.000 1.157 226 D HN 0.248 nan 8.370 nan 0.000 0.455 227 V N 0.844 120.736 119.914 -0.037 0.000 3.444 227 V HA -0.104 3.999 4.120 -0.029 0.000 0.271 227 V C 2.247 178.294 176.094 -0.078 0.000 1.188 227 V CA 1.694 63.951 62.300 -0.071 0.000 1.168 227 V CB -0.359 31.410 31.823 -0.090 0.000 0.810 227 V HN 0.309 nan 8.190 nan 0.000 0.500 228 K N 0.745 121.114 120.400 -0.051 0.000 2.147 228 K HA -0.181 4.122 4.320 -0.029 0.000 0.205 228 K C 2.082 178.650 176.600 -0.053 0.000 1.049 228 K CA 1.560 57.818 56.287 -0.047 0.000 0.936 228 K CB -0.072 32.419 32.500 -0.015 0.000 0.722 228 K HN 0.500 nan 8.250 nan 0.000 0.446 229 A N 1.025 123.816 122.820 -0.048 0.000 1.874 229 A HA -0.098 4.205 4.320 -0.029 0.000 0.214 229 A C 1.811 179.356 177.584 -0.065 0.000 1.189 229 A CA 1.240 53.249 52.037 -0.045 0.000 0.615 229 A CB -0.355 18.626 19.000 -0.032 0.000 0.830 229 A HN 0.285 nan 8.150 nan 0.000 0.443 230 E N -0.074 120.077 120.200 -0.081 0.000 2.110 230 E HA -0.092 4.241 4.350 -0.029 0.000 0.193 230 E C 2.028 178.546 176.600 -0.137 0.000 0.988 230 E CA 1.783 58.121 56.400 -0.104 0.000 0.804 230 E CB -0.611 29.019 29.700 -0.117 0.000 0.745 230 E HN 0.595 nan 8.360 nan 0.000 0.458 231 T N 0.583 115.051 114.554 -0.145 0.000 2.857 231 T HA -0.047 4.285 4.350 -0.029 0.000 0.266 231 T C 1.572 176.184 174.700 -0.146 0.000 1.048 231 T CA 0.885 62.883 62.100 -0.170 0.000 1.139 231 T CB -0.003 68.769 68.868 -0.159 0.000 0.874 231 T HN 0.081 nan 8.240 nan 0.000 0.455 232 K N 0.753 121.084 120.400 -0.114 0.000 2.103 232 K HA 0.036 4.339 4.320 -0.029 0.000 0.204 232 K C 2.363 178.909 176.600 -0.089 0.000 1.052 232 K CA 0.639 56.863 56.287 -0.104 0.000 0.945 232 K CB -0.077 32.385 32.500 -0.063 0.000 0.722 232 K HN -0.002 nan 8.250 nan 0.000 0.443 233 K N 1.658 122.009 120.400 -0.082 0.000 2.097 233 K HA -0.096 4.207 4.320 -0.029 0.000 0.206 233 K C 2.062 178.598 176.600 -0.107 0.000 1.049 233 K CA 0.849 57.092 56.287 -0.073 0.000 0.933 233 K CB -0.551 31.911 32.500 -0.062 0.000 0.717 233 K HN 0.045 nan 8.250 nan 0.000 0.442 234 L N 0.833 121.972 121.223 -0.140 0.000 2.079 234 L HA -0.115 4.207 4.340 -0.029 0.000 0.210 234 L C 2.040 178.780 176.870 -0.216 0.000 1.081 234 L CA 1.416 56.146 54.840 -0.182 0.000 0.752 234 L CB -0.229 41.710 42.059 -0.199 0.000 0.896 234 L HN 0.118 nan 8.230 nan 0.000 0.433 235 I N -0.654 119.806 120.570 -0.184 0.000 2.163 235 I HA -0.258 3.894 4.170 -0.029 0.000 0.240 235 I C 2.042 178.085 176.117 -0.123 0.000 1.081 235 I CA 1.345 62.533 61.300 -0.187 0.000 1.353 235 I CB -0.547 37.288 38.000 -0.274 0.000 1.054 235 I HN 0.241 nan 8.210 nan 0.000 0.407 236 D N 0.641 121.009 120.400 -0.054 0.000 2.149 236 D HA -0.177 4.446 4.640 -0.029 0.000 0.198 236 D C 2.034 178.307 176.300 -0.046 0.000 0.990 236 D CA 1.290 55.301 54.000 0.019 0.000 0.839 236 D CB -0.229 40.600 40.800 0.048 0.000 0.948 236 D HN 0.156 nan 8.370 nan 0.000 0.460 237 L N 0.381 121.540 121.223 -0.106 0.000 2.240 237 L HA -0.035 4.288 4.340 -0.029 0.000 0.211 237 L C 2.290 179.031 176.870 -0.215 0.000 1.106 237 L CA 1.410 56.171 54.840 -0.132 0.000 0.793 237 L CB -0.516 41.472 42.059 -0.117 0.000 0.927 237 L HN 0.152 nan 8.230 nan 0.000 0.446 238 T N -6.541 107.786 114.554 -0.379 0.000 3.000 238 T HA 0.028 4.361 4.350 -0.029 0.000 0.248 238 T C 0.858 175.270 174.700 -0.481 0.000 1.034 238 T CA 0.027 61.683 62.100 -0.741 0.000 1.060 238 T CB 0.258 68.124 68.868 -1.669 0.000 0.983 238 T HN 0.193 nan 8.240 nan 0.000 0.482 239 Q N 0.412 120.093 119.800 -0.198 0.000 2.481 239 Q HA -0.125 4.197 4.340 -0.029 0.000 0.258 239 Q C -0.937 175.196 176.000 0.221 0.000 0.961 239 Q CA 0.486 56.332 55.803 0.072 0.000 1.121 239 Q CB -2.508 26.350 28.738 0.201 0.000 1.503 239 Q HN 0.570 nan 8.270 nan 0.000 0.544 240 F N 1.291 121.185 119.950 -0.093 0.000 2.418 240 F HA 0.331 4.840 4.527 -0.029 0.000 0.341 240 F C -1.333 174.434 175.800 -0.056 0.000 1.120 240 F CA -2.761 55.130 58.000 -0.182 0.000 1.232 240 F CB -0.503 38.334 39.000 -0.272 0.000 1.175 240 F HN -0.154 nan 8.300 nan 0.000 0.569 241 P HA 0.265 nan 4.420 nan 0.000 0.268 241 P C -1.128 176.167 177.300 -0.008 0.000 1.205 241 P CA -0.215 62.909 63.100 0.040 0.000 0.771 241 P CB 0.536 32.293 31.700 0.095 0.000 0.858 242 A N 3.205 125.870 122.820 -0.258 0.000 2.331 242 A HA 0.766 5.069 4.320 -0.029 0.000 0.320 242 A C -1.143 176.108 177.584 -0.554 0.000 1.138 242 A CA -0.421 51.488 52.037 -0.214 0.000 0.790 242 A CB 0.389 19.309 19.000 -0.134 0.000 1.206 242 A HN 0.372 nan 8.150 nan 0.000 0.470 243 F N 0.954 120.842 119.950 -0.103 0.000 2.577 243 F HA 0.636 5.146 4.527 -0.029 0.000 0.318 243 F C 0.361 176.170 175.800 0.015 0.000 1.065 243 F CA -0.693 57.235 58.000 -0.120 0.000 0.929 243 F CB 2.422 41.355 39.000 -0.112 0.000 1.237 243 F HN 0.566 nan 8.300 nan 0.000 0.468 244 V N -1.627 118.444 119.914 0.262 0.000 3.019 244 V HA 0.901 5.004 4.120 -0.029 0.000 0.317 244 V C -0.294 175.885 176.094 0.141 0.000 1.094 244 V CA -0.755 61.647 62.300 0.170 0.000 1.000 244 V CB 1.373 33.280 31.823 0.140 0.000 1.060 244 V HN 0.871 nan 8.190 nan 0.000 0.443 245 T N -1.145 113.454 114.554 0.076 0.000 2.936 245 T HA 0.584 4.917 4.350 -0.029 0.000 0.282 245 T C -1.950 172.737 174.700 -0.022 0.000 1.003 245 T CA -1.824 60.303 62.100 0.045 0.000 1.005 245 T CB 1.413 70.304 68.868 0.038 0.000 1.097 245 T HN 0.502 nan 8.240 nan 0.000 0.532 246 P HA -0.111 nan 4.420 nan 0.000 0.216 246 P C 1.657 178.902 177.300 -0.092 0.000 1.157 246 P CA 1.569 64.600 63.100 -0.114 0.000 0.880 246 P CB -0.099 31.505 31.700 -0.161 0.000 0.791 247 M N -2.101 117.458 119.600 -0.068 0.000 2.460 247 M HA -0.006 4.457 4.480 -0.029 0.000 0.263 247 M C 1.782 178.050 176.300 -0.053 0.000 1.071 247 M CA 1.631 56.901 55.300 -0.051 0.000 1.096 247 M CB -0.650 31.932 32.600 -0.030 0.000 1.408 247 M HN -0.009 nan 8.290 nan 0.000 0.463 248 G N -0.305 108.465 108.800 -0.049 0.000 3.126 248 G HA2 0.040 3.982 3.960 -0.029 0.000 0.224 248 G HA3 0.040 3.982 3.960 -0.029 0.000 0.224 248 G C 0.351 175.209 174.900 -0.071 0.000 1.142 248 G CA -0.373 44.693 45.100 -0.056 0.000 0.759 248 G HN 0.212 nan 8.290 nan 0.000 0.550 249 K N 0.777 121.130 120.400 -0.079 0.000 2.447 249 K HA 0.341 4.643 4.320 -0.029 0.000 0.281 249 K C 1.320 177.894 176.600 -0.043 0.000 1.031 249 K CA 1.029 57.254 56.287 -0.103 0.000 1.019 249 K CB 0.222 32.603 32.500 -0.198 0.000 0.918 249 K HN 0.245 nan 8.250 nan 0.000 0.476 250 G N 2.030 110.824 108.800 -0.009 0.000 2.284 250 G HA2 -0.253 3.689 3.960 -0.029 0.000 0.216 250 G HA3 -0.253 3.689 3.960 -0.029 0.000 0.216 250 G C 1.083 175.939 174.900 -0.074 0.000 1.009 250 G CA 0.282 45.407 45.100 0.041 0.000 0.625 250 G HN 0.588 nan 8.290 nan 0.000 0.501 251 S N 0.101 115.742 115.700 -0.100 0.000 2.382 251 S HA 0.236 4.688 4.470 -0.029 0.000 0.228 251 S C 1.097 175.657 174.600 -0.067 0.000 1.027 251 S CA 1.065 59.218 58.200 -0.077 0.000 0.991 251 S CB -0.073 63.087 63.200 -0.067 0.000 0.823 251 S HN 0.547 nan 8.310 nan 0.000 0.469 252 I N 0.709 121.227 120.570 -0.086 0.000 2.493 252 I HA 0.245 4.398 4.170 -0.029 0.000 0.298 252 I C -0.361 175.642 176.117 -0.191 0.000 0.998 252 I CA -0.512 60.720 61.300 -0.113 0.000 1.137 252 I CB 1.990 39.960 38.000 -0.049 0.000 1.310 252 I HN -0.123 nan 8.210 nan 0.000 0.445 253 S N 3.990 119.606 115.700 -0.140 0.000 2.481 253 S HA 0.091 4.543 4.470 -0.029 0.000 0.276 253 S C 0.983 175.419 174.600 -0.274 0.000 1.247 253 S CA -0.490 57.632 58.200 -0.131 0.000 1.053 253 S CB 0.640 63.824 63.200 -0.026 0.000 0.925 253 S HN 0.576 nan 8.310 nan 0.000 0.491 254 E N 1.756 121.696 120.200 -0.433 0.000 2.338 254 E HA -0.133 4.199 4.350 -0.029 0.000 0.197 254 E C 1.034 177.536 176.600 -0.163 0.000 1.007 254 E CA 0.617 56.627 56.400 -0.650 0.000 0.849 254 E CB 0.085 29.473 29.700 -0.520 0.000 0.774 254 E HN 0.529 nan 8.360 nan 0.000 0.506 255 Q N 0.095 119.860 119.800 -0.059 0.000 2.403 255 Q HA -0.005 4.317 4.340 -0.029 0.000 0.203 255 Q C 0.458 176.494 176.000 0.059 0.000 0.932 255 Q CA 0.325 56.137 55.803 0.016 0.000 0.945 255 Q CB -0.129 28.610 28.738 0.001 0.000 1.045 255 Q HN 0.335 nan 8.270 nan 0.000 0.511 256 H N 3.183 122.247 119.070 -0.009 0.000 2.848 256 H HA 0.015 4.554 4.556 -0.029 0.000 0.341 256 H C -1.419 173.937 175.328 0.046 0.000 1.060 256 H CA -1.294 54.763 56.048 0.015 0.000 1.444 256 H CB 1.355 31.125 29.762 0.013 0.000 1.446 256 H HN -0.066 nan 8.280 nan 0.000 0.583 257 P HA -0.109 nan 4.420 nan 0.000 0.222 257 P C 0.728 178.124 177.300 0.159 0.000 1.147 257 P CA 0.892 64.031 63.100 0.065 0.000 0.790 257 P CB 0.466 32.141 31.700 -0.041 0.000 0.780 258 R N -1.538 119.194 120.500 0.387 0.000 2.359 258 R HA 0.130 4.452 4.340 -0.029 0.000 0.231 258 R C 0.361 176.663 176.300 0.005 0.000 0.913 258 R CA -0.631 55.581 56.100 0.188 0.000 1.075 258 R CB -1.227 29.206 30.300 0.223 0.000 1.087 258 R HN 0.306 nan 8.270 nan 0.000 0.515 259 Y N 0.275 120.535 120.300 -0.067 0.000 2.359 259 Y HA 0.372 4.904 4.550 -0.029 0.000 0.334 259 Y C 1.211 176.906 175.900 -0.341 0.000 1.058 259 Y CA -0.245 57.721 58.100 -0.224 0.000 1.244 259 Y CB 1.077 39.466 38.460 -0.117 0.000 1.187 259 Y HN 0.085 nan 8.280 nan 0.000 0.510 260 G N 2.787 110.707 108.800 -1.468 0.000 3.192 260 G HA2 0.475 4.418 3.960 -0.029 0.000 0.239 260 G HA3 0.475 4.418 3.960 -0.029 0.000 0.239 260 G C 0.273 174.588 174.900 -0.976 0.000 1.084 260 G CA 0.219 44.613 45.100 -1.177 0.000 0.784 260 G HN 1.319 nan 8.290 nan 0.000 0.540 261 G N -1.068 106.866 108.800 -1.444 0.000 2.331 261 G HA2 0.196 4.138 3.960 -0.029 0.000 0.402 261 G HA3 0.196 4.138 3.960 -0.029 0.000 0.402 261 G C -1.171 173.729 174.900 -0.001 0.000 1.275 261 G CA -0.353 44.480 45.100 -0.444 0.000 1.003 261 G HN 0.701 nan 8.290 nan 0.000 0.500 262 V N 0.569 120.554 119.914 0.118 0.000 2.364 262 V HA 0.502 4.605 4.120 -0.029 0.000 0.272 262 V C -0.265 175.907 176.094 0.130 0.000 1.036 262 V CA -0.466 61.901 62.300 0.112 0.000 0.880 262 V CB 1.030 32.855 31.823 0.003 0.000 0.991 262 V HN 0.819 nan 8.190 nan 0.000 0.460 263 Y N 5.785 126.101 120.300 0.027 0.000 2.404 263 Y HA 0.636 5.168 4.550 -0.030 0.000 0.344 263 Y C -0.171 175.701 175.900 -0.046 0.000 0.970 263 Y CA -0.201 57.869 58.100 -0.050 0.000 1.180 263 Y CB 1.059 39.434 38.460 -0.141 0.000 1.138 263 Y HN 0.485 nan 8.280 nan 0.000 0.510 264 V N 5.032 124.581 119.914 -0.608 0.000 3.182 264 V HA 0.676 4.778 4.120 -0.029 0.000 0.311 264 V C 0.757 176.356 176.094 -0.825 0.000 1.221 264 V CA -0.244 61.771 62.300 -0.475 0.000 1.060 264 V CB 1.165 32.849 31.823 -0.233 0.000 1.164 264 V HN 0.840 nan 8.190 nan 0.000 0.466 265 G N 0.274 108.788 108.800 -0.477 0.000 3.197 265 G HA2 0.090 4.033 3.960 -0.029 0.000 0.167 265 G HA3 0.090 4.033 3.960 -0.029 0.000 0.167 265 G C 1.358 176.083 174.900 -0.291 0.000 1.914 265 G CA 0.913 45.754 45.100 -0.431 0.000 0.956 265 G HN 0.868 nan 8.290 nan 0.000 0.480 266 T N -0.284 114.186 114.554 -0.141 0.000 2.977 266 T HA 0.014 4.347 4.350 -0.029 0.000 0.271 266 T C 2.176 176.825 174.700 -0.084 0.000 1.105 266 T CA 0.749 62.800 62.100 -0.082 0.000 1.116 266 T CB -0.155 68.684 68.868 -0.048 0.000 0.878 266 T HN 0.121 nan 8.240 nan 0.000 0.509 267 L N 1.217 122.378 121.223 -0.104 0.000 2.478 267 L HA 0.120 4.443 4.340 -0.029 0.000 0.223 267 L C 1.176 177.998 176.870 -0.081 0.000 1.140 267 L CA 0.021 54.818 54.840 -0.071 0.000 0.842 267 L CB -0.564 41.479 42.059 -0.028 0.000 0.953 267 L HN 0.300 nan 8.230 nan 0.000 0.452 268 S N -0.064 115.560 115.700 -0.126 0.000 2.617 268 S HA 0.155 4.608 4.470 -0.029 0.000 0.259 268 S C 0.194 174.771 174.600 -0.039 0.000 1.301 268 S CA -0.638 57.506 58.200 -0.093 0.000 0.984 268 S CB 0.562 63.699 63.200 -0.106 0.000 0.954 268 S HN 0.001 nan 8.310 nan 0.000 0.572 269 K N 2.369 122.761 120.400 -0.012 0.000 2.401 269 K HA 0.211 4.514 4.320 -0.029 0.000 0.278 269 K C -1.810 174.798 176.600 0.013 0.000 1.018 269 K CA -1.998 54.292 56.287 0.004 0.000 0.981 269 K CB -0.294 32.216 32.500 0.017 0.000 0.933 269 K HN 0.201 nan 8.250 nan 0.000 0.477 270 P HA -0.192 nan 4.420 nan 0.000 0.215 270 P C 0.750 178.063 177.300 0.021 0.000 1.153 270 P CA 1.164 64.271 63.100 0.011 0.000 0.853 270 P CB 0.316 32.020 31.700 0.006 0.000 0.788 271 E N -0.505 119.712 120.200 0.028 0.000 2.110 271 E HA -0.104 4.229 4.350 -0.029 0.000 0.193 271 E C 1.960 178.596 176.600 0.061 0.000 0.988 271 E CA 1.039 57.462 56.400 0.038 0.000 0.804 271 E CB -0.418 29.305 29.700 0.039 0.000 0.745 271 E HN 0.086 nan 8.360 nan 0.000 0.458 272 V N 1.164 121.124 119.914 0.077 0.000 2.379 272 V HA -0.210 3.893 4.120 -0.029 0.000 0.245 272 V C 2.491 178.613 176.094 0.047 0.000 1.044 272 V CA 1.715 64.087 62.300 0.120 0.000 1.036 272 V CB -0.374 31.544 31.823 0.159 0.000 0.664 272 V HN 0.184 nan 8.190 nan 0.000 0.453 273 K N 0.128 120.566 120.400 0.063 0.000 2.032 273 K HA -0.256 4.046 4.320 -0.029 0.000 0.209 273 K C 2.127 178.740 176.600 0.022 0.000 1.048 273 K CA 1.954 58.299 56.287 0.097 0.000 0.927 273 K CB -0.091 32.439 32.500 0.050 0.000 0.712 273 K HN 0.341 nan 8.250 nan 0.000 0.441 274 E N 0.443 120.641 120.200 -0.003 0.000 2.031 274 E HA -0.149 4.184 4.350 -0.029 0.000 0.193 274 E C 1.868 178.429 176.600 -0.065 0.000 0.994 274 E CA 1.529 57.914 56.400 -0.025 0.000 0.800 274 E CB -0.532 29.164 29.700 -0.007 0.000 0.752 274 E HN 0.447 nan 8.360 nan 0.000 0.447 275 A N 0.371 123.154 122.820 -0.060 0.000 1.892 275 A HA -0.212 4.090 4.320 -0.029 0.000 0.218 275 A C 2.529 179.956 177.584 -0.261 0.000 1.188 275 A CA 1.988 53.982 52.037 -0.071 0.000 0.631 275 A CB -0.849 18.210 19.000 0.098 0.000 0.822 275 A HN 0.160 nan 8.150 nan 0.000 0.447 276 V N -0.462 119.149 119.914 -0.506 0.000 2.283 276 V HA -0.216 3.887 4.120 -0.029 0.000 0.243 276 V C 2.357 178.182 176.094 -0.449 0.000 1.039 276 V CA 2.169 64.037 62.300 -0.721 0.000 1.016 276 V CB -0.880 30.247 31.823 -1.161 0.000 0.650 276 V HN 0.631 nan 8.190 nan 0.000 0.449 277 E N 0.630 120.643 120.200 -0.312 0.000 2.209 277 E HA -0.177 4.156 4.350 -0.029 0.000 0.196 277 E C 2.154 178.675 176.600 -0.131 0.000 0.993 277 E CA 1.461 57.753 56.400 -0.180 0.000 0.819 277 E CB -0.144 29.513 29.700 -0.072 0.000 0.745 277 E HN 0.713 nan 8.360 nan 0.000 0.477 278 S N -0.159 115.467 115.700 -0.122 0.000 2.575 278 S HA 0.262 4.715 4.470 -0.029 0.000 0.215 278 S C 0.811 175.358 174.600 -0.089 0.000 0.966 278 S CA -0.117 58.032 58.200 -0.084 0.000 0.911 278 S CB 0.326 63.491 63.200 -0.058 0.000 0.780 278 S HN 0.189 nan 8.310 nan 0.000 0.514 279 A N 2.569 125.315 122.820 -0.124 0.000 2.498 279 A HA 0.344 4.646 4.320 -0.029 0.000 0.239 279 A C 1.006 178.524 177.584 -0.109 0.000 1.068 279 A CA 0.168 52.131 52.037 -0.123 0.000 0.766 279 A CB 0.156 19.058 19.000 -0.164 0.000 1.003 279 A HN 0.580 nan 8.150 nan 0.000 0.497 280 D N 0.589 120.929 120.400 -0.100 0.000 2.349 280 D HA 0.203 4.825 4.640 -0.029 0.000 0.214 280 D C -0.155 176.088 176.300 -0.094 0.000 1.063 280 D CA 0.099 54.049 54.000 -0.083 0.000 0.847 280 D CB 0.061 40.823 40.800 -0.063 0.000 0.933 280 D HN 0.266 nan 8.370 nan 0.000 0.513 281 L N 0.262 121.409 121.223 -0.126 0.000 2.543 281 L HA 0.435 4.757 4.340 -0.029 0.000 0.265 281 L C -2.093 174.703 176.870 -0.124 0.000 0.945 281 L CA -0.804 53.966 54.840 -0.117 0.000 0.869 281 L CB 1.961 43.946 42.059 -0.124 0.000 1.294 281 L HN -0.236 nan 8.230 nan 0.000 0.405 282 I N 5.835 126.355 120.570 -0.083 0.000 2.378 282 I HA 0.449 4.601 4.170 -0.029 0.000 0.291 282 I C -0.916 175.201 176.117 -0.001 0.000 0.992 282 I CA -0.413 60.843 61.300 -0.073 0.000 1.154 282 I CB 1.622 39.559 38.000 -0.106 0.000 1.315 282 I HN 0.346 nan 8.210 nan 0.000 0.448 283 L N 5.530 126.778 121.223 0.042 0.000 2.283 283 L HA 0.398 4.720 4.340 -0.029 0.000 0.281 283 L C 0.248 177.184 176.870 0.109 0.000 1.033 283 L CA -0.097 54.835 54.840 0.153 0.000 0.848 283 L CB 0.756 42.922 42.059 0.178 0.000 1.226 283 L HN 0.544 nan 8.230 nan 0.000 0.429 284 S N 3.438 119.222 115.700 0.141 0.000 2.423 284 S HA 0.513 4.966 4.470 -0.029 0.000 0.317 284 S C -0.377 174.268 174.600 0.075 0.000 1.065 284 S CA -0.473 57.765 58.200 0.063 0.000 1.111 284 S CB 0.345 63.557 63.200 0.019 0.000 0.968 284 S HN 0.252 nan 8.310 nan 0.000 0.474 285 V N 4.970 124.853 119.914 -0.051 0.000 2.348 285 V HA 0.595 4.697 4.120 -0.029 0.000 0.270 285 V C 1.127 177.139 176.094 -0.136 0.000 1.037 285 V CA 0.220 62.436 62.300 -0.141 0.000 0.872 285 V CB 0.335 31.977 31.823 -0.301 0.000 1.002 285 V HN 1.175 nan 8.190 nan 0.000 0.464 286 G N 4.255 112.948 108.800 -0.177 0.000 2.248 286 G HA2 -0.029 3.913 3.960 -0.029 0.000 0.263 286 G HA3 -0.029 3.913 3.960 -0.029 0.000 0.263 286 G C 0.217 175.016 174.900 -0.169 0.000 1.082 286 G CA -0.066 44.924 45.100 -0.185 0.000 0.863 286 G HN 1.405 nan 8.290 nan 0.000 0.495 287 A N -0.586 122.083 122.820 -0.252 0.000 2.366 287 A HA 0.756 5.058 4.320 -0.029 0.000 0.272 287 A C 1.054 178.672 177.584 0.057 0.000 1.135 287 A CA -0.025 51.958 52.037 -0.091 0.000 0.804 287 A CB 0.570 19.531 19.000 -0.065 0.000 1.064 287 A HN 0.728 nan 8.150 nan 0.000 0.499 288 L N 2.145 123.403 121.223 0.059 0.000 2.642 288 L HA 0.314 4.637 4.340 -0.029 0.000 0.233 288 L C 1.033 177.954 176.870 0.084 0.000 1.077 288 L CA 0.468 55.357 54.840 0.082 0.000 0.879 288 L CB -1.706 40.387 42.059 0.057 0.000 1.151 288 L HN 0.912 nan 8.230 nan 0.000 0.495 289 L N -0.972 120.291 121.223 0.067 0.000 5.860 289 L HA -0.446 3.877 4.340 -0.029 0.000 0.263 289 L C 1.098 177.999 176.870 0.052 0.000 1.188 289 L CA 1.434 56.312 54.840 0.063 0.000 1.395 289 L CB -0.527 41.583 42.059 0.086 0.000 2.166 289 L HN 0.525 nan 8.230 nan 0.000 0.889 290 S N -2.923 112.811 115.700 0.056 0.000 4.997 290 S HA 0.157 4.609 4.470 -0.029 0.000 0.169 290 S C -0.068 174.563 174.600 0.053 0.000 1.122 290 S CA 0.174 58.399 58.200 0.043 0.000 1.305 290 S CB -0.520 62.691 63.200 0.020 0.000 1.806 290 S HN 0.957 nan 8.310 nan 0.000 0.547 303 T N 3.738 118.261 114.554 -0.053 0.000 3.867 303 T HA 0.236 4.568 4.350 -0.029 0.000 0.308 303 T C 0.280 174.950 174.700 -0.050 0.000 0.716 303 T CA -0.682 61.376 62.100 -0.070 0.000 1.031 303 T CB 0.989 69.808 68.868 -0.082 0.000 1.062 303 T HN 0.506 nan 8.240 nan 0.000 0.482 304 K N 1.577 121.948 120.400 -0.049 0.000 2.005 304 K HA 0.167 4.470 4.320 -0.029 0.000 0.214 304 K C 0.658 177.240 176.600 -0.030 0.000 1.030 304 K CA 0.146 56.412 56.287 -0.035 0.000 0.955 304 K CB 0.065 32.545 32.500 -0.034 0.000 0.767 304 K HN 0.310 nan 8.250 nan 0.000 0.446 305 N N 1.954 120.632 118.700 -0.036 0.000 2.402 305 N HA 0.095 4.817 4.740 -0.029 0.000 0.259 305 N C -0.991 174.499 175.510 -0.032 0.000 1.167 305 N CA 0.399 53.432 53.050 -0.029 0.000 0.949 305 N CB 0.390 38.857 38.487 -0.033 0.000 1.212 305 N HN 0.097 nan 8.380 nan 0.000 0.493 306 I N 2.313 122.872 120.570 -0.019 0.000 2.389 306 I HA 0.212 4.365 4.170 -0.029 0.000 0.288 306 I C -0.141 175.973 176.117 -0.005 0.000 0.999 306 I CA -0.754 60.538 61.300 -0.014 0.000 1.129 306 I CB 1.929 39.925 38.000 -0.008 0.000 1.288 306 I HN 0.059 nan 8.210 nan 0.000 0.444 307 V N 6.151 126.062 119.914 -0.004 0.000 2.398 307 V HA 0.431 4.533 4.120 -0.029 0.000 0.286 307 V C -0.055 176.012 176.094 -0.045 0.000 1.026 307 V CA -0.720 61.544 62.300 -0.059 0.000 0.868 307 V CB 1.442 33.215 31.823 -0.084 0.000 0.982 307 V HN 0.617 nan 8.190 nan 0.000 0.443 308 E N 3.928 124.073 120.200 -0.092 0.000 2.158 308 E HA 0.470 4.802 4.350 -0.029 0.000 0.271 308 E C -1.525 174.930 176.600 -0.242 0.000 0.911 308 E CA -0.483 55.865 56.400 -0.087 0.000 0.767 308 E CB 1.941 31.691 29.700 0.082 0.000 1.120 308 E HN 0.506 nan 8.360 nan 0.000 0.405 309 F N 3.207 122.957 119.950 -0.334 0.000 2.405 309 F HA 0.274 4.783 4.527 -0.029 0.000 0.355 309 F C 0.677 176.166 175.800 -0.517 0.000 1.121 309 F CA -0.321 57.504 58.000 -0.293 0.000 1.112 309 F CB 0.728 39.604 39.000 -0.207 0.000 1.126 309 F HN 0.329 nan 8.300 nan 0.000 0.481 310 H N 0.382 119.352 119.070 -0.167 0.000 2.797 310 H HA 0.193 4.733 4.556 -0.028 0.000 0.372 310 H C 0.745 175.943 175.328 -0.216 0.000 1.168 310 H CA -0.298 55.589 56.048 -0.269 0.000 1.163 310 H CB 1.983 31.448 29.762 -0.495 0.000 1.778 310 H HN 0.557 nan 8.280 nan 0.000 0.551 311 S N 0.364 115.957 115.700 -0.179 0.000 2.400 311 S HA -0.200 4.253 4.470 -0.029 0.000 0.232 311 S C 0.947 175.503 174.600 -0.075 0.000 1.025 311 S CA 1.739 59.774 58.200 -0.274 0.000 0.993 311 S CB -0.170 62.571 63.200 -0.765 0.000 0.808 311 S HN 0.768 nan 8.310 nan 0.000 0.478 312 D N 0.576 120.993 120.400 0.029 0.000 2.469 312 D HA 0.103 4.725 4.640 -0.029 0.000 0.215 312 D C 0.403 176.844 176.300 0.234 0.000 1.154 312 D CA -0.284 53.792 54.000 0.126 0.000 0.832 312 D CB -0.371 40.508 40.800 0.132 0.000 1.008 312 D HN 0.762 nan 8.370 nan 0.000 0.506 313 H N -2.075 117.037 119.070 0.070 0.000 3.005 313 H HA 0.348 4.887 4.556 -0.028 0.000 0.311 313 H C -1.691 173.719 175.328 0.137 0.000 1.366 313 H CA -0.826 55.269 56.048 0.079 0.000 1.210 313 H CB 0.406 30.177 29.762 0.016 0.000 1.894 313 H HN -0.229 nan 8.280 nan 0.000 0.520 314 M N 1.597 121.269 119.600 0.121 0.000 2.705 314 M HA 0.503 4.966 4.480 -0.029 0.000 0.311 314 M C -0.402 176.024 176.300 0.210 0.000 1.214 314 M CA -0.653 54.660 55.300 0.021 0.000 0.920 314 M CB 2.017 34.537 32.600 -0.135 0.000 1.687 314 M HN 0.718 nan 8.290 nan 0.000 0.481 315 K N 1.624 122.090 120.400 0.111 0.000 2.565 315 K HA 0.649 4.952 4.320 -0.029 0.000 0.251 315 K C -2.067 174.600 176.600 0.112 0.000 0.956 315 K CA -0.324 56.082 56.287 0.199 0.000 0.809 315 K CB 1.858 34.474 32.500 0.192 0.000 1.267 315 K HN 0.712 nan 8.250 nan 0.000 0.438 316 I N 5.653 126.336 120.570 0.188 0.000 2.439 316 I HA 0.390 4.542 4.170 -0.029 0.000 0.283 316 I C 0.396 176.566 176.117 0.088 0.000 1.023 316 I CA -0.714 60.651 61.300 0.107 0.000 1.100 316 I CB 1.547 39.622 38.000 0.125 0.000 1.238 316 I HN 0.862 nan 8.210 nan 0.000 0.445 317 R N 3.413 123.940 120.500 0.045 0.000 3.982 317 R HA -0.248 4.075 4.340 -0.029 0.000 0.360 317 R C 0.478 176.797 176.300 0.031 0.000 0.241 317 R CA 1.445 57.563 56.100 0.029 0.000 1.177 317 R CB -0.946 29.368 30.300 0.024 0.000 1.024 317 R HN 0.640 nan 8.270 nan 0.000 0.550 318 N N 1.142 119.852 118.700 0.016 0.000 2.299 318 N HA 0.182 4.905 4.740 -0.029 0.000 0.187 318 N C -0.155 175.340 175.510 -0.025 0.000 1.099 318 N CA 0.798 53.847 53.050 -0.001 0.000 0.867 318 N CB 0.683 39.162 38.487 -0.013 0.000 0.974 318 N HN 0.456 nan 8.380 nan 0.000 0.477 319 A N 0.976 123.777 122.820 -0.032 0.000 2.328 319 A HA 0.508 4.811 4.320 -0.029 0.000 0.284 319 A C 0.168 177.657 177.584 -0.158 0.000 1.160 319 A CA -0.071 51.875 52.037 -0.151 0.000 0.818 319 A CB 0.475 19.365 19.000 -0.183 0.000 1.087 319 A HN -0.014 nan 8.150 nan 0.000 0.504 320 T N 1.781 116.174 114.554 -0.269 0.000 2.895 320 T HA 0.610 4.942 4.350 -0.029 0.000 0.283 320 T C -0.979 173.488 174.700 -0.387 0.000 1.014 320 T CA 0.139 62.159 62.100 -0.134 0.000 1.037 320 T CB 0.484 69.309 68.868 -0.071 0.000 1.006 320 T HN 0.339 nan 8.240 nan 0.000 0.468 321 F N 3.492 123.467 119.950 0.042 0.000 2.691 321 F HA 0.320 4.830 4.527 -0.029 0.000 0.371 321 F C -2.213 173.622 175.800 0.057 0.000 1.159 321 F CA -2.551 55.468 58.000 0.031 0.000 1.174 321 F CB 1.080 40.090 39.000 0.017 0.000 1.419 321 F HN 0.240 nan 8.300 nan 0.000 0.514 322 P HA 0.214 nan 4.420 nan 0.000 0.271 322 P C 0.880 178.250 177.300 0.117 0.000 1.216 322 P CA 0.767 63.916 63.100 0.082 0.000 0.771 322 P CB 1.472 33.167 31.700 -0.008 0.000 0.864 323 G N 1.716 110.594 108.800 0.130 0.000 2.217 323 G HA2 -0.215 3.728 3.960 -0.029 0.000 0.246 323 G HA3 -0.215 3.728 3.960 -0.029 0.000 0.246 323 G C -0.045 174.933 174.900 0.130 0.000 0.990 323 G CA -0.066 45.102 45.100 0.115 0.000 0.627 323 G HN 0.525 nan 8.290 nan 0.000 0.522 324 V N 2.536 122.539 119.914 0.149 0.000 2.387 324 V HA 0.349 4.451 4.120 -0.029 0.000 0.260 324 V C 0.729 176.902 176.094 0.132 0.000 1.054 324 V CA 0.006 62.377 62.300 0.118 0.000 0.967 324 V CB 1.031 32.894 31.823 0.068 0.000 1.036 324 V HN 0.468 nan 8.190 nan 0.000 0.481 325 Q N 4.689 124.599 119.800 0.182 0.000 2.304 325 Q HA 0.226 4.549 4.340 -0.029 0.000 0.260 325 Q C 1.456 177.533 176.000 0.129 0.000 0.965 325 Q CA -0.212 55.688 55.803 0.160 0.000 0.898 325 Q CB 1.291 30.169 28.738 0.232 0.000 1.196 325 Q HN 0.873 nan 8.270 nan 0.000 0.402 326 M N 1.093 120.732 119.600 0.065 0.000 2.267 326 M HA -0.207 4.256 4.480 -0.029 0.000 0.263 326 M C 1.574 177.912 176.300 0.064 0.000 1.063 326 M CA 1.592 56.962 55.300 0.117 0.000 1.090 326 M CB -0.259 32.428 32.600 0.144 0.000 1.392 326 M HN 0.345 nan 8.290 nan 0.000 0.422 327 K N 1.386 121.740 120.400 -0.076 0.000 2.020 327 K HA -0.132 4.171 4.320 -0.029 0.000 0.212 327 K C 1.349 177.824 176.600 -0.208 0.000 1.050 327 K CA 2.193 58.338 56.287 -0.238 0.000 0.929 327 K CB -0.878 31.310 32.500 -0.519 0.000 0.714 327 K HN 0.502 nan 8.250 nan 0.000 0.443 328 F N -0.024 119.945 119.950 0.032 0.000 2.163 328 F HA -0.069 4.440 4.527 -0.030 0.000 0.297 328 F C 2.292 178.109 175.800 0.028 0.000 1.094 328 F CA 0.864 58.879 58.000 0.025 0.000 1.290 328 F CB -0.781 38.231 39.000 0.019 0.000 1.017 328 F HN -0.175 nan 8.300 nan 0.000 0.483 329 V N -0.144 119.904 119.914 0.222 0.000 2.295 329 V HA -0.263 3.840 4.120 -0.029 0.000 0.246 329 V C 2.463 178.658 176.094 0.167 0.000 1.049 329 V CA 1.198 63.596 62.300 0.162 0.000 1.024 329 V CB -0.668 31.236 31.823 0.135 0.000 0.648 329 V HN 0.203 nan 8.190 nan 0.000 0.447 330 L N -0.116 121.196 121.223 0.148 0.000 2.017 330 L HA -0.181 4.141 4.340 -0.029 0.000 0.208 330 L C 2.629 179.510 176.870 0.017 0.000 1.073 330 L CA 1.935 56.804 54.840 0.049 0.000 0.745 330 L CB -1.535 40.477 42.059 -0.078 0.000 0.894 330 L HN 0.458 nan 8.230 nan 0.000 0.432 331 Q N -0.503 119.310 119.800 0.022 0.000 2.135 331 Q HA -0.227 4.096 4.340 -0.029 0.000 0.204 331 Q C 2.084 178.109 176.000 0.042 0.000 0.981 331 Q CA 1.550 57.367 55.803 0.023 0.000 0.856 331 Q CB -0.090 28.669 28.738 0.034 0.000 0.902 331 Q HN 0.529 nan 8.270 nan 0.000 0.425 332 K N 0.382 120.823 120.400 0.069 0.000 2.167 332 K HA -0.016 4.286 4.320 -0.029 0.000 0.203 332 K C 2.065 178.687 176.600 0.037 0.000 1.052 332 K CA 0.576 56.896 56.287 0.054 0.000 0.956 332 K CB 0.013 32.548 32.500 0.059 0.000 0.735 332 K HN 0.136 nan 8.250 nan 0.000 0.451 333 L N 1.186 122.437 121.223 0.045 0.000 2.046 333 L HA -0.153 4.169 4.340 -0.029 0.000 0.208 333 L C 2.138 179.011 176.870 0.005 0.000 1.077 333 L CA 1.044 55.905 54.840 0.037 0.000 0.747 333 L CB -0.298 41.804 42.059 0.071 0.000 0.896 333 L HN 0.203 nan 8.230 nan 0.000 0.432 334 L N -0.897 120.321 121.223 -0.008 0.000 2.447 334 L HA -0.198 4.125 4.340 -0.029 0.000 0.225 334 L C 2.213 179.072 176.870 -0.019 0.000 1.148 334 L CA 0.925 55.747 54.840 -0.029 0.000 0.808 334 L CB -0.696 41.342 42.059 -0.035 0.000 0.928 334 L HN 0.284 nan 8.230 nan 0.000 0.448 335 T N -0.369 114.182 114.554 -0.004 0.000 3.014 335 T HA -0.025 4.308 4.350 -0.029 0.000 0.263 335 T C 1.222 175.920 174.700 -0.003 0.000 1.078 335 T CA 1.362 63.461 62.100 -0.001 0.000 1.135 335 T CB -0.080 68.793 68.868 0.008 0.000 0.895 335 T HN 0.588 nan 8.240 nan 0.000 0.480 336 N N -0.261 118.438 118.700 -0.001 0.000 2.166 336 N HA 0.228 4.950 4.740 -0.029 0.000 0.213 336 N C 1.300 176.809 175.510 -0.003 0.000 1.222 336 N CA -0.238 52.812 53.050 0.001 0.000 0.900 336 N CB -0.086 38.406 38.487 0.008 0.000 1.055 336 N HN 0.037 nan 8.380 nan 0.000 0.515 337 I N 2.060 122.621 120.570 -0.016 0.000 2.151 337 I HA -0.242 3.911 4.170 -0.029 0.000 0.243 337 I C 2.282 178.371 176.117 -0.048 0.000 1.080 337 I CA 1.167 62.448 61.300 -0.033 0.000 1.339 337 I CB -0.464 37.496 38.000 -0.066 0.000 1.039 337 I HN 0.289 nan 8.210 nan 0.000 0.409 338 A N -0.469 122.318 122.820 -0.055 0.000 1.978 338 A HA -0.264 4.038 4.320 -0.029 0.000 0.220 338 A C 2.068 179.648 177.584 -0.007 0.000 1.170 338 A CA 2.200 54.209 52.037 -0.046 0.000 0.636 338 A CB -0.875 18.102 19.000 -0.039 0.000 0.810 338 A HN 0.509 nan 8.150 nan 0.000 0.448 339 D N -0.141 120.260 120.400 0.002 0.000 2.084 339 D HA -0.035 4.587 4.640 -0.029 0.000 0.196 339 D C 2.311 178.632 176.300 0.036 0.000 0.985 339 D CA 1.615 55.626 54.000 0.018 0.000 0.826 339 D CB -0.449 40.359 40.800 0.015 0.000 0.978 339 D HN 0.386 nan 8.370 nan 0.000 0.456 340 A N 0.598 123.440 122.820 0.037 0.000 2.019 340 A HA -0.016 4.286 4.320 -0.029 0.000 0.219 340 A C 2.057 179.702 177.584 0.101 0.000 1.164 340 A CA 1.976 54.049 52.037 0.060 0.000 0.644 340 A CB -0.310 18.723 19.000 0.056 0.000 0.805 340 A HN 0.235 nan 8.150 nan 0.000 0.449 341 A N -1.132 121.750 122.820 0.103 0.000 2.308 341 A HA 0.218 4.521 4.320 -0.029 0.000 0.217 341 A C 1.725 179.425 177.584 0.194 0.000 1.216 341 A CA 0.729 52.880 52.037 0.189 0.000 0.864 341 A CB -0.302 18.743 19.000 0.075 0.000 0.902 341 A HN 0.462 nan 8.150 nan 0.000 0.499 342 K N 0.145 120.616 120.400 0.118 0.000 2.360 342 K HA -0.134 4.168 4.320 -0.029 0.000 0.201 342 K C 1.577 178.245 176.600 0.113 0.000 1.046 342 K CA 1.261 57.607 56.287 0.098 0.000 0.940 342 K CB -0.271 32.264 32.500 0.058 0.000 0.748 342 K HN 0.438 nan 8.250 nan 0.000 0.465 343 G N -0.373 108.509 108.800 0.136 0.000 2.880 343 G HA2 -0.160 3.783 3.960 -0.029 0.000 0.209 343 G HA3 -0.160 3.783 3.960 -0.029 0.000 0.209 343 G C -0.014 174.978 174.900 0.153 0.000 1.157 343 G CA -0.294 44.876 45.100 0.117 0.000 0.779 343 G HN 0.268 nan 8.290 nan 0.000 0.539 344 Y N 2.869 123.230 120.300 0.102 0.000 2.526 344 Y HA 0.311 4.843 4.550 -0.029 0.000 0.330 344 Y C 0.285 176.240 175.900 0.093 0.000 1.156 344 Y CA -1.076 57.101 58.100 0.127 0.000 1.419 344 Y CB 0.798 39.428 38.460 0.283 0.000 1.250 344 Y HN -0.001 nan 8.280 nan 0.000 0.540 345 K N 7.369 127.360 120.400 -0.681 0.000 2.404 345 K HA 0.401 4.704 4.320 -0.029 0.000 0.257 345 K C -3.124 172.906 176.600 -0.950 0.000 1.026 345 K CA -2.202 53.749 56.287 -0.560 0.000 0.951 345 K CB 0.762 33.095 32.500 -0.279 0.000 1.203 345 K HN 0.417 nan 8.250 nan 0.000 0.446 346 P HA -0.091 nan 4.420 nan 0.000 0.253 346 P C -0.199 177.013 177.300 -0.148 0.000 1.159 346 P CA 0.106 62.999 63.100 -0.345 0.000 0.779 346 P CB 0.391 32.064 31.700 -0.045 0.000 0.745 347 V N 3.795 123.717 119.914 0.014 0.000 2.881 347 V HA 0.326 4.429 4.120 -0.029 0.000 0.303 347 V C 0.774 176.912 176.094 0.074 0.000 1.070 347 V CA -0.363 61.971 62.300 0.056 0.000 1.074 347 V CB 1.073 32.968 31.823 0.120 0.000 1.012 347 V HN 0.591 nan 8.190 nan 0.000 0.482 348 A N 4.380 127.227 122.820 0.044 0.000 2.440 348 A HA 0.533 4.836 4.320 -0.029 0.000 0.251 348 A C -0.022 177.591 177.584 0.049 0.000 1.089 348 A CA -0.176 51.885 52.037 0.039 0.000 0.779 348 A CB 0.422 19.437 19.000 0.024 0.000 1.022 348 A HN 1.236 nan 8.150 nan 0.000 0.492 349 V N 0.729 120.660 119.914 0.029 0.000 2.904 349 V HA 0.583 4.686 4.120 -0.029 0.000 0.305 349 V C -2.395 173.705 176.094 0.010 0.000 1.067 349 V CA -2.077 60.225 62.300 0.003 0.000 1.044 349 V CB 0.173 31.940 31.823 -0.092 0.000 1.050 349 V HN 0.748 nan 8.190 nan 0.000 0.475 350 P HA 0.305 nan 4.420 nan 0.000 0.266 350 P C -0.241 177.061 177.300 0.004 0.000 1.195 350 P CA 0.260 63.380 63.100 0.033 0.000 0.768 350 P CB 0.209 31.955 31.700 0.077 0.000 0.838 351 A N 3.666 126.495 122.820 0.014 0.000 2.388 351 A HA 0.285 4.588 4.320 -0.029 0.000 0.257 351 A C 0.429 178.022 177.584 0.015 0.000 1.095 351 A CA -0.336 51.709 52.037 0.013 0.000 0.791 351 A CB -0.017 18.992 19.000 0.015 0.000 1.029 351 A HN 0.479 nan 8.150 nan 0.000 0.489 352 R N 0.856 121.367 120.500 0.019 0.000 2.594 352 R HA 0.311 4.633 4.340 -0.029 0.000 0.272 352 R C 0.127 176.439 176.300 0.019 0.000 1.074 352 R CA 0.175 56.290 56.100 0.026 0.000 1.105 352 R CB 0.408 30.735 30.300 0.045 0.000 1.008 352 R HN 0.782 nan 8.270 nan 0.000 0.472 353 T N 4.651 119.214 114.554 0.016 0.000 2.849 353 T HA 0.016 4.348 4.350 -0.029 0.000 0.289 353 T C -1.851 172.851 174.700 0.003 0.000 1.010 353 T CA -1.017 61.087 62.100 0.008 0.000 1.161 353 T CB -0.245 68.623 68.868 0.001 0.000 0.989 353 T HN 0.408 nan 8.240 nan 0.000 0.523 354 P HA 0.377 nan 4.420 nan 0.000 0.272 354 P C -0.066 177.228 177.300 -0.011 0.000 1.223 354 P CA -0.651 62.450 63.100 0.002 0.000 0.784 354 P CB 0.346 32.051 31.700 0.007 0.000 0.923 355 A N 2.834 125.648 122.820 -0.011 0.000 2.547 355 A HA 0.007 4.309 4.320 -0.029 0.000 0.233 355 A C 0.607 178.173 177.584 -0.029 0.000 1.067 355 A CA -0.020 52.001 52.037 -0.028 0.000 0.763 355 A CB -0.545 18.450 19.000 -0.008 0.000 1.007 355 A HN 0.575 nan 8.150 nan 0.000 0.506 356 N N 0.485 119.141 118.700 -0.074 0.000 2.454 356 N HA 0.330 5.053 4.740 -0.029 0.000 0.260 356 N C 0.370 175.921 175.510 0.069 0.000 1.218 356 N CA 0.882 53.908 53.050 -0.040 0.000 0.904 356 N CB 0.811 39.160 38.487 -0.229 0.000 1.065 356 N HN 0.806 nan 8.380 nan 0.000 0.462 357 A N 1.703 124.584 122.820 0.101 0.000 2.425 357 A HA 0.486 4.788 4.320 -0.029 0.000 0.242 357 A C 0.431 178.101 177.584 0.143 0.000 1.077 357 A CA -0.454 51.643 52.037 0.100 0.000 0.781 357 A CB 0.059 19.109 19.000 0.083 0.000 1.020 357 A HN 0.724 nan 8.150 nan 0.000 0.494 358 A N 0.806 123.692 122.820 0.110 0.000 2.477 358 A HA 0.502 4.804 4.320 -0.029 0.000 0.246 358 A C 0.362 177.994 177.584 0.081 0.000 1.078 358 A CA 0.459 52.561 52.037 0.109 0.000 0.770 358 A CB -0.482 18.564 19.000 0.077 0.000 1.011 358 A HN 2.213 nan 8.150 nan 0.000 0.494 359 V N -0.103 119.852 119.914 0.069 0.000 3.130 359 V HA 0.767 4.870 4.120 -0.029 0.000 0.310 359 V C -2.989 173.096 176.094 -0.014 0.000 1.158 359 V CA -2.379 59.926 62.300 0.007 0.000 1.029 359 V CB 0.993 32.794 31.823 -0.037 0.000 1.057 359 V HN 0.704 nan 8.190 nan 0.000 0.436 360 P HA 0.375 nan 4.420 nan 0.000 0.268 360 P C 0.826 178.090 177.300 -0.061 0.000 1.204 360 P CA 0.368 63.447 63.100 -0.035 0.000 0.768 360 P CB 1.088 32.765 31.700 -0.038 0.000 0.842 361 A N 2.419 125.213 122.820 -0.043 0.000 2.139 361 A HA -0.177 4.125 4.320 -0.029 0.000 0.221 361 A C 1.862 179.404 177.584 -0.071 0.000 1.159 361 A CA 1.976 53.985 52.037 -0.046 0.000 0.662 361 A CB -1.048 17.943 19.000 -0.016 0.000 0.796 361 A HN 0.571 nan 8.150 nan 0.000 0.463 362 S N -0.369 115.288 115.700 -0.070 0.000 2.470 362 S HA 0.003 4.455 4.470 -0.029 0.000 0.225 362 S C 0.901 175.441 174.600 -0.100 0.000 1.006 362 S CA 0.533 58.692 58.200 -0.069 0.000 0.934 362 S CB -0.514 62.654 63.200 -0.053 0.000 0.778 362 S HN 0.554 nan 8.310 nan 0.000 0.517 363 T N 4.655 119.126 114.554 -0.139 0.000 2.933 363 T HA 0.158 4.491 4.350 -0.029 0.000 0.306 363 T C -2.534 172.034 174.700 -0.220 0.000 1.045 363 T CA -0.656 61.334 62.100 -0.183 0.000 1.143 363 T CB 0.117 68.827 68.868 -0.263 0.000 1.003 363 T HN 0.103 nan 8.240 nan 0.000 0.540 364 P HA 0.185 nan 4.420 nan 0.000 0.271 364 P C -0.040 177.121 177.300 -0.232 0.000 1.218 364 P CA -0.523 62.485 63.100 -0.155 0.000 0.780 364 P CB 0.484 32.126 31.700 -0.097 0.000 0.901 365 L N 3.638 124.736 121.223 -0.209 0.000 2.455 365 L HA 0.137 4.460 4.340 -0.029 0.000 0.272 365 L C 0.722 177.502 176.870 -0.148 0.000 1.174 365 L CA 0.702 55.401 54.840 -0.234 0.000 0.869 365 L CB 0.021 42.003 42.059 -0.128 0.000 1.130 365 L HN 0.336 nan 8.230 nan 0.000 0.474 366 K N 2.504 122.825 120.400 -0.132 0.000 2.426 366 K HA 0.255 4.558 4.320 -0.029 0.000 0.251 366 K C 0.168 176.746 176.600 -0.036 0.000 0.941 366 K CA -0.760 55.498 56.287 -0.047 0.000 0.808 366 K CB 2.384 34.876 32.500 -0.012 0.000 1.265 366 K HN 0.505 nan 8.250 nan 0.000 0.432 367 Q N 0.845 120.623 119.800 -0.037 0.000 2.050 367 Q HA -0.226 4.097 4.340 -0.029 0.000 0.202 367 Q C 1.363 177.386 176.000 0.038 0.000 0.980 367 Q CA 1.659 57.404 55.803 -0.096 0.000 0.840 367 Q CB 0.085 28.907 28.738 0.141 0.000 0.898 367 Q HN 0.521 nan 8.270 nan 0.000 0.424 368 E N 0.411 120.694 120.200 0.138 0.000 2.097 368 E HA -0.224 4.108 4.350 -0.029 0.000 0.196 368 E C 1.401 178.061 176.600 0.101 0.000 1.000 368 E CA 1.549 58.039 56.400 0.151 0.000 0.804 368 E CB -0.365 29.404 29.700 0.114 0.000 0.740 368 E HN 0.454 nan 8.360 nan 0.000 0.454 369 W N 0.197 121.432 121.300 -0.108 0.000 2.378 369 W HA -0.137 4.505 4.660 -0.029 0.000 0.313 369 W C 2.392 178.736 176.519 -0.290 0.000 1.197 369 W CA 2.163 59.410 57.345 -0.163 0.000 1.304 369 W CB -0.478 28.878 29.460 -0.172 0.000 1.148 369 W HN 0.106 nan 8.180 nan 0.000 0.494 370 M N -0.504 118.995 119.600 -0.167 0.000 2.073 370 M HA -0.256 4.206 4.480 -0.029 0.000 0.258 370 M C 1.961 177.810 176.300 -0.752 0.000 1.070 370 M CA 2.678 57.550 55.300 -0.715 0.000 1.103 370 M CB -0.804 31.271 32.600 -0.875 0.000 1.321 370 M HN 0.211 nan 8.290 nan 0.000 0.405 371 W N 0.135 121.237 121.300 -0.331 0.000 2.374 371 W HA -0.157 4.486 4.660 -0.029 0.000 0.288 371 W C 2.225 178.601 176.519 -0.239 0.000 1.218 371 W CA 1.137 58.318 57.345 -0.273 0.000 1.245 371 W CB -0.629 28.716 29.460 -0.192 0.000 1.126 371 W HN 0.448 nan 8.180 nan 0.000 0.545 372 N N 0.341 118.992 118.700 -0.082 0.000 2.142 372 N HA -0.237 4.485 4.740 -0.029 0.000 0.186 372 N C 1.848 177.203 175.510 -0.258 0.000 1.023 372 N CA 1.153 54.110 53.050 -0.155 0.000 0.852 372 N CB -0.110 38.262 38.487 -0.191 0.000 0.998 372 N HN 0.092 nan 8.380 nan 0.000 0.424 373 Q N 0.749 120.236 119.800 -0.520 0.000 2.172 373 Q HA -0.030 4.292 4.340 -0.029 0.000 0.200 373 Q C 1.905 177.848 176.000 -0.096 0.000 0.964 373 Q CA 0.608 56.096 55.803 -0.524 0.000 0.855 373 Q CB -0.230 27.724 28.738 -1.306 0.000 0.918 373 Q HN 0.343 nan 8.270 nan 0.000 0.444 374 L N -0.153 121.051 121.223 -0.031 0.000 2.189 374 L HA -0.078 4.245 4.340 -0.029 0.000 0.214 374 L C 1.874 178.913 176.870 0.283 0.000 1.097 374 L CA 2.269 57.269 54.840 0.266 0.000 0.764 374 L CB -1.040 41.125 42.059 0.177 0.000 0.900 374 L HN 0.317 nan 8.230 nan 0.000 0.436 375 G N -0.943 107.960 108.800 0.171 0.000 2.479 375 G HA2 -0.304 3.639 3.960 -0.029 0.000 0.220 375 G HA3 -0.304 3.639 3.960 -0.029 0.000 0.220 375 G C 1.402 176.382 174.900 0.134 0.000 1.115 375 G CA 0.822 46.014 45.100 0.152 0.000 0.757 375 G HN 0.478 nan 8.290 nan 0.000 0.560 376 N N -0.223 118.568 118.700 0.152 0.000 2.354 376 N HA -0.035 4.687 4.740 -0.029 0.000 0.179 376 N C 1.587 177.215 175.510 0.198 0.000 1.021 376 N CA 0.403 53.540 53.050 0.145 0.000 0.887 376 N CB -0.312 38.259 38.487 0.139 0.000 0.974 376 N HN 0.381 nan 8.380 nan 0.000 0.437 377 F N 1.750 121.754 119.950 0.090 0.000 2.187 377 F HA 0.188 4.697 4.527 -0.029 0.000 0.295 377 F C 0.649 176.458 175.800 0.016 0.000 1.091 377 F CA 0.100 58.138 58.000 0.063 0.000 1.308 377 F CB -0.315 38.741 39.000 0.093 0.000 1.030 377 F HN -0.188 nan 8.300 nan 0.000 0.487 378 L N 1.782 122.935 121.223 -0.117 0.000 2.483 378 L HA 0.146 4.469 4.340 -0.029 0.000 0.275 378 L C -0.080 176.661 176.870 -0.215 0.000 1.220 378 L CA 0.043 54.724 54.840 -0.266 0.000 0.833 378 L CB 0.292 42.290 42.059 -0.102 0.000 1.102 378 L HN 0.280 nan 8.230 nan 0.000 0.490 379 Q N 0.288 119.940 119.800 -0.247 0.000 2.456 379 Q HA 0.431 4.754 4.340 -0.029 0.000 0.284 379 Q C -1.425 174.486 176.000 -0.147 0.000 1.061 379 Q CA -1.025 54.675 55.803 -0.171 0.000 0.799 379 Q CB 1.798 30.422 28.738 -0.191 0.000 1.445 379 Q HN 0.464 nan 8.270 nan 0.000 0.411 380 E N 0.180 120.320 120.200 -0.100 0.000 2.414 380 E HA 0.251 4.584 4.350 -0.029 0.000 0.263 380 E C 0.455 177.005 176.600 -0.083 0.000 1.000 380 E CA 1.028 57.380 56.400 -0.080 0.000 0.914 380 E CB 0.407 30.076 29.700 -0.051 0.000 0.948 380 E HN 0.970 nan 8.360 nan 0.000 0.444 381 G N 2.923 111.678 108.800 -0.075 0.000 2.195 381 G HA2 -0.219 3.724 3.960 -0.029 0.000 0.246 381 G HA3 -0.219 3.724 3.960 -0.029 0.000 0.246 381 G C -0.006 174.844 174.900 -0.083 0.000 0.984 381 G CA 0.004 45.066 45.100 -0.065 0.000 0.633 381 G HN 0.561 nan 8.290 nan 0.000 0.525 382 D N 0.008 120.330 120.400 -0.129 0.000 2.382 382 D HA 0.460 5.083 4.640 -0.029 0.000 0.240 382 D C 0.438 176.673 176.300 -0.108 0.000 1.146 382 D CA 0.160 54.072 54.000 -0.146 0.000 0.897 382 D CB 1.624 42.287 40.800 -0.227 0.000 1.197 382 D HN 0.153 nan 8.370 nan 0.000 0.432 383 V N 2.495 122.377 119.914 -0.054 0.000 2.357 383 V HA 0.267 4.370 4.120 -0.029 0.000 0.284 383 V C -0.096 176.012 176.094 0.023 0.000 1.018 383 V CA -0.655 61.655 62.300 0.016 0.000 0.841 383 V CB 1.670 33.513 31.823 0.033 0.000 0.991 383 V HN 0.216 nan 8.190 nan 0.000 0.437 384 V N 7.111 127.033 119.914 0.013 0.000 2.409 384 V HA 0.548 4.651 4.120 -0.029 0.000 0.291 384 V C -0.219 175.985 176.094 0.184 0.000 1.020 384 V CA -0.385 61.969 62.300 0.089 0.000 0.848 384 V CB 1.697 33.480 31.823 -0.065 0.000 0.990 384 V HN 0.676 nan 8.190 nan 0.000 0.430 385 I N 3.857 124.570 120.570 0.237 0.000 2.474 385 I HA 0.849 5.001 4.170 -0.029 0.000 0.294 385 I C 0.063 176.357 176.117 0.294 0.000 1.005 385 I CA -0.675 60.761 61.300 0.226 0.000 1.113 385 I CB 2.049 40.138 38.000 0.148 0.000 1.289 385 I HN 0.653 nan 8.210 nan 0.000 0.436 386 A N 4.391 127.359 122.820 0.247 0.000 2.359 386 A HA 0.651 4.953 4.320 -0.029 0.000 0.303 386 A C -0.720 176.973 177.584 0.183 0.000 1.066 386 A CA -0.538 51.647 52.037 0.247 0.000 0.730 386 A CB 1.599 20.682 19.000 0.139 0.000 1.211 386 A HN 0.695 nan 8.150 nan 0.000 0.439 387 E N 1.115 121.433 120.200 0.197 0.000 2.349 387 E HA 0.461 4.794 4.350 -0.029 0.000 0.262 387 E C 0.041 176.696 176.600 0.093 0.000 1.088 387 E CA 0.073 56.563 56.400 0.150 0.000 0.899 387 E CB 0.649 30.436 29.700 0.145 0.000 1.044 387 E HN 0.536 nan 8.360 nan 0.000 0.420 388 T N 2.181 116.768 114.554 0.055 0.000 2.888 388 T HA 0.523 4.856 4.350 -0.029 0.000 0.301 388 T C 0.213 174.944 174.700 0.051 0.000 1.001 388 T CA 0.730 62.834 62.100 0.006 0.000 1.147 388 T CB 0.237 69.088 68.868 -0.029 0.000 0.931 388 T HN 0.728 nan 8.240 nan 0.000 0.541 389 G N 2.299 111.157 108.800 0.098 0.000 2.278 389 G HA2 -0.007 3.935 3.960 -0.029 0.000 0.265 389 G HA3 -0.007 3.935 3.960 -0.029 0.000 0.265 389 G C 0.921 175.979 174.900 0.263 0.000 1.329 389 G CA 0.237 45.432 45.100 0.157 0.000 1.017 389 G HN 0.769 nan 8.290 nan 0.000 0.472 390 T N -1.386 113.315 114.554 0.246 0.000 2.833 390 T HA -0.022 4.310 4.350 -0.029 0.000 0.269 390 T C 2.377 177.216 174.700 0.231 0.000 1.054 390 T CA 2.690 64.954 62.100 0.274 0.000 1.135 390 T CB -0.464 68.542 68.868 0.231 0.000 0.869 390 T HN 0.835 nan 8.240 nan 0.000 0.466 391 S N 2.205 118.044 115.700 0.232 0.000 2.370 391 S HA 0.042 4.495 4.470 -0.029 0.000 0.226 391 S C 2.575 177.038 174.600 -0.228 0.000 1.033 391 S CA 1.063 59.357 58.200 0.156 0.000 1.011 391 S CB -0.818 62.605 63.200 0.372 0.000 0.852 391 S HN 0.808 nan 8.310 nan 0.000 0.457 392 A N 0.262 123.007 122.820 -0.125 0.000 2.066 392 A HA 0.115 4.417 4.320 -0.029 0.000 0.218 392 A C 1.730 179.070 177.584 -0.407 0.000 1.157 392 A CA 0.851 52.734 52.037 -0.256 0.000 0.670 392 A CB -0.634 18.231 19.000 -0.226 0.000 0.804 392 A HN 0.462 nan 8.150 nan 0.000 0.453 393 F N -0.158 119.633 119.950 -0.264 0.000 2.234 393 F HA 0.101 4.610 4.527 -0.029 0.000 0.296 393 F C 2.578 178.104 175.800 -0.457 0.000 1.089 393 F CA 1.089 58.930 58.000 -0.266 0.000 1.343 393 F CB -0.574 38.328 39.000 -0.163 0.000 1.040 393 F HN 0.282 nan 8.300 nan 0.000 0.498 394 G N -0.266 108.159 108.800 -0.626 0.000 2.403 394 G HA2 -0.215 3.728 3.960 -0.029 0.000 0.216 394 G HA3 -0.215 3.728 3.960 -0.029 0.000 0.216 394 G C 1.641 175.634 174.900 -1.512 0.000 1.154 394 G CA 0.587 44.774 45.100 -1.521 0.000 0.784 394 G HN 0.252 nan 8.290 nan 0.000 0.538 395 I N 1.673 121.471 120.570 -1.287 0.000 2.264 395 I HA -0.144 4.009 4.170 -0.029 0.000 0.248 395 I C 2.015 177.884 176.117 -0.414 0.000 1.111 395 I CA 0.873 61.756 61.300 -0.695 0.000 1.382 395 I CB -0.206 37.559 38.000 -0.391 0.000 1.060 395 I HN 0.019 nan 8.210 nan 0.000 0.418 396 N N 0.411 118.875 118.700 -0.393 0.000 2.430 396 N HA -0.199 4.524 4.740 -0.029 0.000 0.186 396 N C 1.464 176.841 175.510 -0.222 0.000 1.032 396 N CA 0.980 53.862 53.050 -0.281 0.000 0.893 396 N CB -0.212 38.141 38.487 -0.225 0.000 0.957 396 N HN 0.612 nan 8.380 nan 0.000 0.442 397 Q N -0.788 118.878 119.800 -0.223 0.000 2.319 397 Q HA 0.132 4.454 4.340 -0.029 0.000 0.202 397 Q C -0.161 175.804 176.000 -0.058 0.000 0.896 397 Q CA 0.232 55.971 55.803 -0.108 0.000 0.942 397 Q CB 0.567 29.272 28.738 -0.055 0.000 1.083 397 Q HN 0.094 nan 8.270 nan 0.000 0.510 398 T N 1.113 115.615 114.554 -0.087 0.000 2.889 398 T HA 0.220 4.552 4.350 -0.029 0.000 0.291 398 T C -0.014 174.640 174.700 -0.077 0.000 0.995 398 T CA -0.158 61.946 62.100 0.008 0.000 1.092 398 T CB 1.467 70.431 68.868 0.159 0.000 0.954 398 T HN -0.099 nan 8.240 nan 0.000 0.506 399 T N 4.404 118.975 114.554 0.028 0.000 2.744 399 T HA 0.455 4.787 4.350 -0.029 0.000 0.291 399 T C -0.452 174.362 174.700 0.190 0.000 0.957 399 T CA -0.416 61.703 62.100 0.033 0.000 1.002 399 T CB -0.067 68.828 68.868 0.045 0.000 0.919 399 T HN 0.243 nan 8.240 nan 0.000 0.468 400 F N 4.703 124.623 119.950 -0.051 0.000 2.379 400 F HA 0.463 4.972 4.527 -0.030 0.000 0.332 400 F C -1.756 173.999 175.800 -0.075 0.000 1.096 400 F CA -3.227 54.736 58.000 -0.062 0.000 1.105 400 F CB 0.445 39.389 39.000 -0.093 0.000 1.189 400 F HN 0.313 nan 8.300 nan 0.000 0.515 401 P HA 0.094 nan 4.420 nan 0.000 0.277 401 P C -0.333 176.973 177.300 0.008 0.000 1.276 401 P CA -0.465 62.647 63.100 0.021 0.000 0.788 401 P CB 0.550 32.236 31.700 -0.023 0.000 1.114 402 N N 0.777 119.470 118.700 -0.012 0.000 2.415 402 N HA -0.048 4.674 4.740 -0.029 0.000 0.248 402 N C 0.670 176.166 175.510 -0.022 0.000 1.271 402 N CA 0.300 53.340 53.050 -0.017 0.000 0.913 402 N CB -0.717 37.762 38.487 -0.013 0.000 1.129 402 N HN 0.585 nan 8.380 nan 0.000 0.444 403 N N -0.281 118.410 118.700 -0.015 0.000 2.688 403 N HA -0.219 4.503 4.740 -0.029 0.000 0.258 403 N C -1.299 174.195 175.510 -0.026 0.000 1.016 403 N CA 0.467 53.511 53.050 -0.010 0.000 0.747 403 N CB -0.620 37.859 38.487 -0.013 0.000 0.895 403 N HN 0.400 nan 8.380 nan 0.000 0.543 404 T N 2.050 116.580 114.554 -0.039 0.000 2.792 404 T HA 0.238 4.570 4.350 -0.029 0.000 0.280 404 T C -0.707 173.958 174.700 -0.058 0.000 0.990 404 T CA -0.371 61.643 62.100 -0.142 0.000 0.960 404 T CB 1.202 69.818 68.868 -0.420 0.000 0.939 404 T HN 0.252 nan 8.240 nan 0.000 0.439 405 Y N 2.096 122.311 120.300 -0.142 0.000 2.326 405 Y HA 0.566 5.098 4.550 -0.030 0.000 0.337 405 Y C 0.514 176.396 175.900 -0.030 0.000 1.023 405 Y CA -0.270 57.802 58.100 -0.048 0.000 1.143 405 Y CB 0.842 39.278 38.460 -0.040 0.000 1.183 405 Y HN 0.778 nan 8.280 nan 0.000 0.485 406 G N 6.173 114.840 108.800 -0.221 0.000 2.388 406 G HA2 0.605 4.547 3.960 -0.029 0.000 0.330 406 G HA3 0.605 4.547 3.960 -0.029 0.000 0.330 406 G C -1.491 173.406 174.900 -0.005 0.000 1.142 406 G CA -0.752 44.377 45.100 0.047 0.000 0.908 406 G HN 0.672 nan 8.290 nan 0.000 0.473 407 I N 1.348 122.009 120.570 0.153 0.000 2.439 407 I HA 0.363 4.516 4.170 -0.029 0.000 0.283 407 I C -0.218 176.010 176.117 0.185 0.000 1.023 407 I CA -0.430 60.995 61.300 0.209 0.000 1.100 407 I CB 2.114 40.296 38.000 0.303 0.000 1.238 407 I HN 0.399 nan 8.210 nan 0.000 0.445 408 S N 5.170 120.943 115.700 0.122 0.000 2.779 408 S HA 0.215 4.667 4.470 -0.029 0.000 0.293 408 S C -0.393 174.219 174.600 0.019 0.000 1.150 408 S CA -0.487 57.752 58.200 0.066 0.000 1.057 408 S CB 1.289 64.480 63.200 -0.015 0.000 1.021 408 S HN 0.649 nan 8.310 nan 0.000 0.485 409 Q N 4.842 124.641 119.800 -0.003 0.000 3.254 409 Q HA 0.159 4.481 4.340 -0.029 0.000 0.315 409 Q C 0.974 176.914 176.000 -0.100 0.000 1.405 409 Q CA -0.184 55.531 55.803 -0.146 0.000 0.966 409 Q CB -0.198 28.261 28.738 -0.464 0.000 1.706 409 Q HN 0.739 nan 8.270 nan 0.000 0.525 410 V N 1.838 121.703 119.914 -0.081 0.000 2.287 410 V HA -0.305 3.798 4.120 -0.029 0.000 0.248 410 V C 1.899 177.961 176.094 -0.054 0.000 1.053 410 V CA 1.960 64.203 62.300 -0.095 0.000 1.027 410 V CB -0.523 31.234 31.823 -0.110 0.000 0.646 410 V HN 0.636 nan 8.190 nan 0.000 0.447 411 L N -0.818 120.408 121.223 0.006 0.000 2.034 411 L HA -0.032 4.290 4.340 -0.029 0.000 0.203 411 L C 2.194 179.130 176.870 0.109 0.000 1.074 411 L CA 1.933 56.810 54.840 0.062 0.000 0.748 411 L CB -0.894 41.223 42.059 0.098 0.000 0.905 411 L HN 0.443 nan 8.230 nan 0.000 0.439 412 W N 1.386 122.636 121.300 -0.083 0.000 2.381 412 W HA -0.011 4.631 4.660 -0.031 0.000 0.301 412 W C 1.186 177.651 176.519 -0.090 0.000 1.205 412 W CA 1.561 58.858 57.345 -0.079 0.000 1.285 412 W CB -0.253 29.146 29.460 -0.101 0.000 1.133 412 W HN 0.480 nan 8.180 nan 0.000 0.521 413 G N 1.895 110.628 108.800 -0.110 0.000 2.372 413 G HA2 -0.282 3.661 3.960 -0.029 0.000 0.297 413 G HA3 -0.282 3.661 3.960 -0.029 0.000 0.297 413 G C -0.197 174.557 174.900 -0.243 0.000 1.005 413 G CA 0.611 45.602 45.100 -0.182 0.000 1.173 413 G HN 0.285 nan 8.290 nan 0.000 0.511 414 S N -0.240 115.360 115.700 -0.166 0.000 2.404 414 S HA 0.443 4.895 4.470 -0.029 0.000 0.309 414 S C 1.964 176.554 174.600 -0.017 0.000 1.076 414 S CA -0.195 57.957 58.200 -0.079 0.000 1.095 414 S CB -0.035 63.252 63.200 0.146 0.000 0.972 414 S HN 1.140 nan 8.310 nan 0.000 0.484 415 I N 3.106 123.656 120.570 -0.034 0.000 2.597 415 I HA 0.013 4.166 4.170 -0.029 0.000 0.262 415 I C 1.418 177.552 176.117 0.028 0.000 1.194 415 I CA 1.735 63.027 61.300 -0.013 0.000 1.437 415 I CB -0.283 37.677 38.000 -0.067 0.000 1.096 415 I HN 0.613 nan 8.210 nan 0.000 0.451 416 G N -0.383 108.449 108.800 0.053 0.000 3.192 416 G HA2 0.013 3.955 3.960 -0.029 0.000 0.239 416 G HA3 0.013 3.955 3.960 -0.029 0.000 0.239 416 G C 0.993 175.819 174.900 -0.123 0.000 1.084 416 G CA -0.010 45.126 45.100 0.059 0.000 0.784 416 G HN 0.432 nan 8.290 nan 0.000 0.540 417 F N 3.315 122.890 119.950 -0.625 0.000 2.063 417 F HA -0.336 4.174 4.527 -0.029 0.000 0.296 417 F C 2.813 178.353 175.800 -0.433 0.000 1.093 417 F CA 2.716 60.076 58.000 -1.067 0.000 1.229 417 F CB -0.622 38.004 39.000 -0.623 0.000 0.971 417 F HN 0.208 nan 8.300 nan 0.000 0.491 418 T N -3.130 111.219 114.554 -0.342 0.000 2.881 418 T HA -0.174 4.158 4.350 -0.029 0.000 0.270 418 T C 1.783 176.355 174.700 -0.214 0.000 1.068 418 T CA 1.831 63.736 62.100 -0.326 0.000 1.131 418 T CB -1.171 67.678 68.868 -0.032 0.000 0.871 418 T HN 0.415 nan 8.240 nan 0.000 0.479 419 T N 1.035 115.524 114.554 -0.109 0.000 2.857 419 T HA 0.137 4.470 4.350 -0.029 0.000 0.266 419 T C 2.265 176.925 174.700 -0.067 0.000 1.048 419 T CA 1.045 63.127 62.100 -0.031 0.000 1.139 419 T CB -0.884 68.017 68.868 0.055 0.000 0.874 419 T HN 0.597 nan 8.240 nan 0.000 0.455 420 G N 1.211 109.957 108.800 -0.089 0.000 2.394 420 G HA2 0.055 3.998 3.960 -0.029 0.000 0.215 420 G HA3 0.055 3.998 3.960 -0.029 0.000 0.215 420 G C 1.873 176.645 174.900 -0.214 0.000 1.165 420 G CA 0.705 45.772 45.100 -0.056 0.000 0.784 420 G HN 0.553 nan 8.290 nan 0.000 0.535 421 A N 0.515 123.041 122.820 -0.489 0.000 1.948 421 A HA -0.073 4.229 4.320 -0.029 0.000 0.220 421 A C 2.513 179.965 177.584 -0.221 0.000 1.177 421 A CA 2.557 54.297 52.037 -0.496 0.000 0.636 421 A CB -1.018 17.411 19.000 -0.951 0.000 0.815 421 A HN 0.304 nan 8.150 nan 0.000 0.449 422 T N 0.222 114.676 114.554 -0.167 0.000 2.746 422 T HA -0.106 4.227 4.350 -0.029 0.000 0.267 422 T C 1.840 176.503 174.700 -0.061 0.000 1.039 422 T CA 1.215 63.271 62.100 -0.073 0.000 1.142 422 T CB -0.303 68.541 68.868 -0.041 0.000 0.866 422 T HN 0.360 nan 8.240 nan 0.000 0.444 423 L N 0.990 122.175 121.223 -0.065 0.000 2.017 423 L HA -0.025 4.298 4.340 -0.029 0.000 0.208 423 L C 2.601 179.511 176.870 0.067 0.000 1.073 423 L CA 2.167 56.971 54.840 -0.061 0.000 0.745 423 L CB -1.345 40.714 42.059 -0.001 0.000 0.894 423 L HN 0.391 nan 8.230 nan 0.000 0.432 424 G N -0.866 107.987 108.800 0.089 0.000 2.402 424 G HA2 -0.214 3.729 3.960 -0.029 0.000 0.216 424 G HA3 -0.214 3.729 3.960 -0.029 0.000 0.216 424 G C 1.647 176.688 174.900 0.235 0.000 1.162 424 G CA 0.731 45.980 45.100 0.247 0.000 0.777 424 G HN 0.568 nan 8.290 nan 0.000 0.539 425 A N 0.981 123.836 122.820 0.059 0.000 2.015 425 A HA 0.361 4.664 4.320 -0.029 0.000 0.219 425 A C 2.730 180.319 177.584 0.008 0.000 1.163 425 A CA 1.965 53.999 52.037 -0.005 0.000 0.646 425 A CB -0.537 18.449 19.000 -0.022 0.000 0.806 425 A HN 0.676 nan 8.150 nan 0.000 0.448 426 A N -1.132 121.693 122.820 0.008 0.000 1.898 426 A HA 0.055 4.357 4.320 -0.029 0.000 0.216 426 A C 1.882 179.470 177.584 0.006 0.000 1.181 426 A CA 1.390 53.401 52.037 -0.044 0.000 0.620 426 A CB -0.637 18.284 19.000 -0.132 0.000 0.819 426 A HN 0.419 nan 8.150 nan 0.000 0.442 427 F N 0.133 120.123 119.950 0.066 0.000 2.186 427 F HA 0.003 4.512 4.527 -0.029 0.000 0.299 427 F C 2.731 178.573 175.800 0.071 0.000 1.090 427 F CA 0.506 58.550 58.000 0.073 0.000 1.307 427 F CB -0.650 38.460 39.000 0.182 0.000 1.019 427 F HN 0.263 nan 8.300 nan 0.000 0.489 428 A N -0.164 122.777 122.820 0.202 0.000 1.855 428 A HA 0.006 4.308 4.320 -0.029 0.000 0.215 428 A C 2.452 179.977 177.584 -0.099 0.000 1.191 428 A CA 1.636 53.564 52.037 -0.181 0.000 0.613 428 A CB -1.372 17.272 19.000 -0.592 0.000 0.829 428 A HN 0.271 nan 8.150 nan 0.000 0.442 429 A N -0.182 122.597 122.820 -0.068 0.000 1.917 429 A HA -0.270 4.033 4.320 -0.029 0.000 0.219 429 A C 2.052 179.623 177.584 -0.021 0.000 1.182 429 A CA 2.049 54.052 52.037 -0.057 0.000 0.633 429 A CB -0.689 18.288 19.000 -0.039 0.000 0.819 429 A HN 0.694 nan 8.150 nan 0.000 0.448 430 E N -0.188 120.023 120.200 0.017 0.000 2.118 430 E HA -0.248 4.084 4.350 -0.029 0.000 0.195 430 E C 1.789 178.409 176.600 0.033 0.000 0.992 430 E CA 1.542 57.964 56.400 0.037 0.000 0.804 430 E CB -0.150 29.593 29.700 0.073 0.000 0.741 430 E HN 0.781 nan 8.360 nan 0.000 0.458 431 E N -0.261 119.959 120.200 0.033 0.000 2.285 431 E HA -0.070 4.262 4.350 -0.029 0.000 0.194 431 E C 1.970 178.563 176.600 -0.011 0.000 0.997 431 E CA 0.521 56.932 56.400 0.018 0.000 0.845 431 E CB 0.183 29.899 29.700 0.027 0.000 0.782 431 E HN 0.393 nan 8.360 nan 0.000 0.491 432 I N 0.184 120.737 120.570 -0.029 0.000 2.512 432 I HA -0.011 4.142 4.170 -0.029 0.000 0.247 432 I C 0.433 176.535 176.117 -0.025 0.000 1.094 432 I CA 0.451 61.727 61.300 -0.040 0.000 1.427 432 I CB 0.592 38.552 38.000 -0.067 0.000 1.149 432 I HN -0.059 nan 8.210 nan 0.000 0.438 433 D N -0.494 119.894 120.400 -0.021 0.000 2.614 433 D HA 0.138 4.761 4.640 -0.029 0.000 0.203 433 D C -2.360 173.935 176.300 -0.009 0.000 1.312 433 D CA -1.413 52.578 54.000 -0.014 0.000 0.889 433 D CB 1.707 42.495 40.800 -0.020 0.000 1.615 433 D HN -0.210 nan 8.370 nan 0.000 0.567 434 P HA 0.021 nan 4.420 nan 0.000 0.234 434 P C 0.661 177.962 177.300 0.002 0.000 1.167 434 P CA 0.564 63.668 63.100 0.007 0.000 0.763 434 P CB 0.447 32.156 31.700 0.015 0.000 0.835 435 K N -0.502 119.895 120.400 -0.005 0.000 2.356 435 K HA 0.065 4.367 4.320 -0.029 0.000 0.195 435 K C 0.833 177.425 176.600 -0.013 0.000 1.037 435 K CA 0.182 56.465 56.287 -0.007 0.000 1.014 435 K CB -0.268 32.225 32.500 -0.011 0.000 0.815 435 K HN 0.029 nan 8.250 nan 0.000 0.507 436 K N 1.451 121.841 120.400 -0.017 0.000 2.448 436 K HA 0.058 4.360 4.320 -0.029 0.000 0.278 436 K C -0.518 176.078 176.600 -0.008 0.000 1.009 436 K CA 0.244 56.515 56.287 -0.026 0.000 0.995 436 K CB 0.460 32.942 32.500 -0.030 0.000 0.917 436 K HN -0.034 nan 8.250 nan 0.000 0.481 437 R N 2.224 122.716 120.500 -0.013 0.000 2.540 437 R HA 0.407 4.729 4.340 -0.029 0.000 0.287 437 R C -1.000 175.324 176.300 0.039 0.000 0.980 437 R CA -0.991 55.136 56.100 0.045 0.000 0.966 437 R CB 1.618 31.911 30.300 -0.012 0.000 1.106 437 R HN 0.263 nan 8.270 nan 0.000 0.480 438 V N 4.706 124.684 119.914 0.107 0.000 2.409 438 V HA 0.441 4.543 4.120 -0.029 0.000 0.291 438 V C -0.194 176.019 176.094 0.198 0.000 1.020 438 V CA -0.593 61.767 62.300 0.100 0.000 0.848 438 V CB 1.445 33.301 31.823 0.054 0.000 0.990 438 V HN 0.600 nan 8.190 nan 0.000 0.430 439 I N 5.696 126.376 120.570 0.183 0.000 2.436 439 I HA 0.482 4.634 4.170 -0.029 0.000 0.289 439 I C -0.634 175.611 176.117 0.213 0.000 1.010 439 I CA -0.375 61.083 61.300 0.265 0.000 1.098 439 I CB 1.926 40.080 38.000 0.257 0.000 1.266 439 I HN 0.392 nan 8.210 nan 0.000 0.434 440 L N 6.058 127.381 121.223 0.166 0.000 2.334 440 L HA 0.597 4.919 4.340 -0.029 0.000 0.273 440 L C -1.600 175.226 176.870 -0.073 0.000 1.013 440 L CA -0.605 54.307 54.840 0.119 0.000 0.816 440 L CB 2.009 44.128 42.059 0.099 0.000 1.278 440 L HN 0.444 nan 8.230 nan 0.000 0.431 441 F N 5.336 125.463 119.950 0.295 0.000 2.382 441 F HA 0.482 4.991 4.527 -0.030 0.000 0.361 441 F C 0.139 176.091 175.800 0.254 0.000 1.109 441 F CA -0.301 57.891 58.000 0.320 0.000 1.031 441 F CB 1.500 40.740 39.000 0.400 0.000 1.234 441 F HN 0.252 nan 8.300 nan 0.000 0.445 442 I N 2.041 122.786 120.570 0.292 0.000 2.689 442 I HA 0.746 4.898 4.170 -0.029 0.000 0.299 442 I C 0.190 176.422 176.117 0.192 0.000 1.059 442 I CA -0.614 60.816 61.300 0.217 0.000 1.055 442 I CB 1.683 39.766 38.000 0.138 0.000 1.243 442 I HN 0.575 nan 8.210 nan 0.000 0.425 443 G N 3.372 112.270 108.800 0.165 0.000 2.539 443 G HA2 0.090 4.033 3.960 -0.029 0.000 0.258 443 G HA3 0.090 4.033 3.960 -0.029 0.000 0.258 443 G C 0.573 175.516 174.900 0.072 0.000 1.202 443 G CA 0.127 45.308 45.100 0.135 0.000 0.851 443 G HN 0.818 nan 8.290 nan 0.000 0.556 444 D N 0.441 120.864 120.400 0.038 0.000 2.149 444 D HA -0.115 4.507 4.640 -0.029 0.000 0.198 444 D C 2.136 178.450 176.300 0.023 0.000 0.990 444 D CA 1.500 55.498 54.000 -0.005 0.000 0.839 444 D CB -0.835 40.001 40.800 0.060 0.000 0.948 444 D HN 0.469 nan 8.370 nan 0.000 0.460 445 G N -0.098 108.762 108.800 0.101 0.000 2.403 445 G HA2 -0.173 3.770 3.960 -0.029 0.000 0.216 445 G HA3 -0.173 3.770 3.960 -0.029 0.000 0.216 445 G C 1.766 176.752 174.900 0.143 0.000 1.154 445 G CA 0.811 46.040 45.100 0.215 0.000 0.784 445 G HN 0.372 nan 8.290 nan 0.000 0.538 446 S N 0.259 116.010 115.700 0.086 0.000 2.414 446 S HA 0.095 4.547 4.470 -0.029 0.000 0.227 446 S C 2.090 176.737 174.600 0.077 0.000 1.022 446 S CA 0.099 58.336 58.200 0.061 0.000 0.958 446 S CB -0.150 63.085 63.200 0.058 0.000 0.797 446 S HN 0.256 nan 8.310 nan 0.000 0.493 447 L N 2.021 123.287 121.223 0.071 0.000 2.083 447 L HA -0.192 4.130 4.340 -0.029 0.000 0.209 447 L C 2.386 179.347 176.870 0.151 0.000 1.083 447 L CA 1.624 56.533 54.840 0.116 0.000 0.752 447 L CB -0.706 41.421 42.059 0.114 0.000 0.899 447 L HN 0.429 nan 8.230 nan 0.000 0.433 448 Q N -0.415 119.388 119.800 0.005 0.000 2.133 448 Q HA -0.286 4.037 4.340 -0.029 0.000 0.208 448 Q C 2.126 178.255 176.000 0.215 0.000 0.991 448 Q CA 1.687 57.485 55.803 -0.008 0.000 0.867 448 Q CB -0.285 28.279 28.738 -0.289 0.000 0.911 448 Q HN 0.437 nan 8.270 nan 0.000 0.417 449 L N -0.162 121.159 121.223 0.164 0.000 2.275 449 L HA -0.116 4.207 4.340 -0.029 0.000 0.215 449 L C 1.986 178.985 176.870 0.215 0.000 1.119 449 L CA 1.800 56.752 54.840 0.188 0.000 0.790 449 L CB -0.189 41.967 42.059 0.162 0.000 0.919 449 L HN 0.353 nan 8.230 nan 0.000 0.443 450 T N -7.121 107.564 114.554 0.219 0.000 3.262 450 T HA 0.105 4.437 4.350 -0.029 0.000 0.300 450 T C 1.361 176.180 174.700 0.199 0.000 0.959 450 T CA 0.265 62.490 62.100 0.208 0.000 0.936 450 T CB -0.302 68.699 68.868 0.221 0.000 1.169 450 T HN -0.122 nan 8.240 nan 0.000 0.532 451 V N 2.916 122.997 119.914 0.280 0.000 2.428 451 V HA -0.307 3.795 4.120 -0.029 0.000 0.255 451 V C 2.818 179.046 176.094 0.224 0.000 1.080 451 V CA 2.800 65.306 62.300 0.343 0.000 1.083 451 V CB -0.469 31.695 31.823 0.570 0.000 0.665 451 V HN 0.762 nan 8.190 nan 0.000 0.461 452 Q N -0.610 119.246 119.800 0.093 0.000 2.291 452 Q HA -0.255 4.068 4.340 -0.029 0.000 0.206 452 Q C 1.761 177.613 176.000 -0.246 0.000 0.976 452 Q CA 1.945 57.624 55.803 -0.205 0.000 0.875 452 Q CB -0.590 28.061 28.738 -0.144 0.000 0.927 452 Q HN 0.635 nan 8.270 nan 0.000 0.450 453 E N 0.981 121.144 120.200 -0.061 0.000 2.418 453 E HA 0.066 4.398 4.350 -0.029 0.000 0.197 453 E C 1.728 178.301 176.600 -0.045 0.000 1.026 453 E CA 0.246 56.622 56.400 -0.040 0.000 0.862 453 E CB -0.302 29.411 29.700 0.022 0.000 0.799 453 E HN 0.504 nan 8.360 nan 0.000 0.518 454 I N -0.453 120.098 120.570 -0.031 0.000 2.361 454 I HA -0.262 3.891 4.170 -0.029 0.000 0.251 454 I C 2.336 178.434 176.117 -0.031 0.000 1.133 454 I CA 0.935 62.258 61.300 0.038 0.000 1.413 454 I CB -0.300 37.829 38.000 0.215 0.000 1.073 454 I HN 0.096 nan 8.210 nan 0.000 0.424 455 S N 0.531 116.074 115.700 -0.263 0.000 2.359 455 S HA -0.220 4.232 4.470 -0.029 0.000 0.224 455 S C 2.092 176.641 174.600 -0.085 0.000 1.035 455 S CA 2.425 60.458 58.200 -0.278 0.000 1.018 455 S CB -0.376 62.495 63.200 -0.548 0.000 0.876 455 S HN 0.463 nan 8.310 nan 0.000 0.448 456 T N 2.130 116.662 114.554 -0.036 0.000 2.833 456 T HA -0.019 4.314 4.350 -0.029 0.000 0.269 456 T C 1.791 176.569 174.700 0.130 0.000 1.054 456 T CA 1.560 63.721 62.100 0.102 0.000 1.135 456 T CB -0.304 68.649 68.868 0.142 0.000 0.869 456 T HN 0.423 nan 8.240 nan 0.000 0.466 457 M N 0.245 119.860 119.600 0.026 0.000 2.132 457 M HA 0.047 4.509 4.480 -0.029 0.000 0.263 457 M C 2.121 178.433 176.300 0.020 0.000 1.065 457 M CA 1.570 56.852 55.300 -0.031 0.000 1.122 457 M CB -0.545 32.026 32.600 -0.048 0.000 1.365 457 M HN 0.191 nan 8.290 nan 0.000 0.411 458 I N -0.498 120.087 120.570 0.025 0.000 2.252 458 I HA -0.269 3.884 4.170 -0.029 0.000 0.245 458 I C 2.631 178.755 176.117 0.011 0.000 1.102 458 I CA 1.226 62.538 61.300 0.020 0.000 1.385 458 I CB -0.429 37.583 38.000 0.021 0.000 1.064 458 I HN 0.256 nan 8.210 nan 0.000 0.414 459 R N 0.013 120.515 120.500 0.004 0.000 2.152 459 R HA -0.186 4.137 4.340 -0.029 0.000 0.232 459 R C 1.491 177.662 176.300 -0.215 0.000 1.117 459 R CA 1.501 57.534 56.100 -0.111 0.000 0.981 459 R CB -0.083 30.150 30.300 -0.112 0.000 0.870 459 R HN 0.398 nan 8.270 nan 0.000 0.451 460 W N -0.676 120.627 121.300 0.005 0.000 3.127 460 W HA 0.322 4.964 4.660 -0.029 0.000 0.344 460 W C 0.804 177.316 176.519 -0.011 0.000 1.151 460 W CA 0.273 57.635 57.345 0.029 0.000 1.765 460 W CB 0.856 30.356 29.460 0.067 0.000 1.085 460 W HN 0.242 nan 8.180 nan 0.000 0.596 461 G N 1.912 110.788 108.800 0.126 0.000 2.273 461 G HA2 -0.314 3.628 3.960 -0.029 0.000 0.280 461 G HA3 -0.314 3.628 3.960 -0.029 0.000 0.280 461 G C -0.062 174.866 174.900 0.047 0.000 1.047 461 G CA -0.181 44.959 45.100 0.068 0.000 0.869 461 G HN 0.179 nan 8.290 nan 0.000 0.502 462 L N -1.130 120.098 121.223 0.009 0.000 2.418 462 L HA 0.479 4.801 4.340 -0.029 0.000 0.265 462 L C 0.930 177.763 176.870 -0.062 0.000 1.143 462 L CA -0.240 54.560 54.840 -0.066 0.000 0.809 462 L CB 0.956 42.896 42.059 -0.199 0.000 1.124 462 L HN 0.176 nan 8.230 nan 0.000 0.456 463 K N 2.048 122.404 120.400 -0.073 0.000 3.122 463 K HA 0.296 4.598 4.320 -0.029 0.000 0.193 463 K C -2.492 174.013 176.600 -0.157 0.000 1.141 463 K CA -1.360 54.860 56.287 -0.111 0.000 0.975 463 K CB 0.243 32.681 32.500 -0.103 0.000 1.173 463 K HN 0.296 nan 8.250 nan 0.000 0.546 464 P HA -0.019 nan 4.420 nan 0.000 0.272 464 P C -0.840 176.353 177.300 -0.178 0.000 1.240 464 P CA -0.170 62.899 63.100 -0.053 0.000 0.791 464 P CB 0.495 32.189 31.700 -0.010 0.000 0.978 465 Y N 0.301 120.586 120.300 -0.025 0.000 2.385 465 Y HA 0.322 4.854 4.550 -0.029 0.000 0.341 465 Y C 0.455 176.312 175.900 -0.072 0.000 0.965 465 Y CA -0.312 57.738 58.100 -0.083 0.000 1.180 465 Y CB 0.531 39.038 38.460 0.078 0.000 1.139 465 Y HN 0.021 nan 8.280 nan 0.000 0.502 466 L N 5.575 126.767 121.223 -0.051 0.000 2.287 466 L HA 0.372 4.695 4.340 -0.029 0.000 0.280 466 L C -1.052 175.760 176.870 -0.097 0.000 1.055 466 L CA -0.343 54.485 54.840 -0.021 0.000 0.863 466 L CB -0.061 41.995 42.059 -0.005 0.000 1.245 466 L HN 0.473 nan 8.230 nan 0.000 0.432 467 F N 2.459 122.328 119.950 -0.135 0.000 2.404 467 F HA 0.337 4.847 4.527 -0.029 0.000 0.358 467 F C 0.334 176.112 175.800 -0.036 0.000 1.120 467 F CA -0.626 57.298 58.000 -0.126 0.000 1.144 467 F CB 1.351 40.138 39.000 -0.355 0.000 1.133 467 F HN 0.037 nan 8.300 nan 0.000 0.495 468 V N 5.278 125.281 119.914 0.149 0.000 2.370 468 V HA 0.231 4.334 4.120 -0.029 0.000 0.279 468 V C 0.204 176.350 176.094 0.086 0.000 1.029 468 V CA -0.838 61.490 62.300 0.047 0.000 0.870 468 V CB 1.468 33.185 31.823 -0.176 0.000 0.984 468 V HN 0.516 nan 8.190 nan 0.000 0.451 469 L N 4.765 126.068 121.223 0.134 0.000 2.385 469 L HA 0.269 4.592 4.340 -0.029 0.000 0.285 469 L C 0.546 177.461 176.870 0.075 0.000 1.125 469 L CA -0.013 54.913 54.840 0.143 0.000 0.890 469 L CB 0.026 42.203 42.059 0.195 0.000 1.251 469 L HN 0.641 nan 8.230 nan 0.000 0.445 470 N N 3.833 122.571 118.700 0.064 0.000 2.482 470 N HA 0.019 4.742 4.740 -0.029 0.000 0.242 470 N C 0.217 175.764 175.510 0.063 0.000 1.100 470 N CA -0.156 52.941 53.050 0.078 0.000 0.946 470 N CB 0.415 38.981 38.487 0.132 0.000 1.227 470 N HN 0.512 nan 8.380 nan 0.000 0.508 471 N N 1.767 120.492 118.700 0.042 0.000 2.365 471 N HA 0.090 4.813 4.740 -0.029 0.000 0.257 471 N C -0.750 174.735 175.510 -0.043 0.000 1.287 471 N CA -0.517 52.532 53.050 -0.002 0.000 0.882 471 N CB -0.161 38.324 38.487 -0.003 0.000 1.250 471 N HN 0.312 nan 8.380 nan 0.000 0.507 472 D N -0.013 120.375 120.400 -0.019 0.000 3.038 472 D HA 0.029 4.652 4.640 -0.029 0.000 0.229 472 D C 0.575 176.809 176.300 -0.111 0.000 1.182 472 D CA 2.117 56.085 54.000 -0.054 0.000 0.852 472 D CB -1.123 39.645 40.800 -0.053 0.000 0.932 472 D HN 0.921 nan 8.370 nan 0.000 0.406 473 G N 0.736 109.471 108.800 -0.109 0.000 2.409 473 G HA2 -0.091 3.852 3.960 -0.029 0.000 0.421 473 G HA3 -0.091 3.852 3.960 -0.029 0.000 0.421 473 G C -0.870 174.022 174.900 -0.014 0.000 1.259 473 G CA -0.443 44.535 45.100 -0.204 0.000 1.011 473 G HN 0.298 nan 8.290 nan 0.000 0.497 474 Y N 1.894 122.174 120.300 -0.032 0.000 2.603 474 Y HA 0.345 4.878 4.550 -0.029 0.000 0.341 474 Y C 2.347 178.237 175.900 -0.016 0.000 1.272 474 Y CA 0.116 58.214 58.100 -0.002 0.000 1.891 474 Y CB -0.440 38.041 38.460 0.035 0.000 1.910 474 Y HN 0.822 nan 8.280 nan 0.000 0.432 475 T N -1.670 112.948 114.554 0.107 0.000 2.881 475 T HA -0.181 4.152 4.350 -0.029 0.000 0.270 475 T C 1.909 176.650 174.700 0.068 0.000 1.068 475 T CA 1.122 63.233 62.100 0.019 0.000 1.131 475 T CB -0.176 68.653 68.868 -0.064 0.000 0.871 475 T HN 0.630 nan 8.240 nan 0.000 0.479 476 I N 0.099 120.726 120.570 0.095 0.000 2.252 476 I HA -0.080 4.072 4.170 -0.029 0.000 0.245 476 I C 2.561 178.730 176.117 0.085 0.000 1.102 476 I CA 1.629 62.973 61.300 0.073 0.000 1.385 476 I CB -0.147 37.913 38.000 0.101 0.000 1.064 476 I HN 0.374 nan 8.210 nan 0.000 0.414 477 E N 0.546 120.820 120.200 0.124 0.000 2.107 477 E HA -0.227 4.106 4.350 -0.029 0.000 0.191 477 E C 2.074 178.785 176.600 0.186 0.000 0.982 477 E CA 0.999 57.496 56.400 0.161 0.000 0.809 477 E CB 0.132 29.961 29.700 0.215 0.000 0.756 477 E HN 0.417 nan 8.360 nan 0.000 0.459 478 K N 0.202 120.701 120.400 0.166 0.000 2.152 478 K HA -0.153 4.150 4.320 -0.029 0.000 0.206 478 K C 1.754 178.474 176.600 0.200 0.000 1.048 478 K CA 0.730 57.121 56.287 0.173 0.000 0.933 478 K CB 0.016 32.599 32.500 0.137 0.000 0.721 478 K HN 0.029 nan 8.250 nan 0.000 0.447 479 L N 0.487 121.806 121.223 0.160 0.000 2.291 479 L HA -0.053 4.269 4.340 -0.029 0.000 0.214 479 L C 1.844 178.760 176.870 0.077 0.000 1.120 479 L CA 1.369 56.283 54.840 0.124 0.000 0.799 479 L CB -0.304 41.800 42.059 0.075 0.000 0.925 479 L HN 0.264 nan 8.230 nan 0.000 0.446 480 I N -5.467 115.162 120.570 0.099 0.000 3.445 480 I HA 0.179 4.332 4.170 -0.029 0.000 0.288 480 I C 0.696 176.918 176.117 0.174 0.000 1.198 480 I CA 0.341 61.703 61.300 0.103 0.000 1.417 480 I CB 0.277 38.329 38.000 0.086 0.000 1.205 480 I HN -0.020 nan 8.210 nan 0.000 0.448 481 H N 1.065 120.191 119.070 0.094 0.000 3.099 481 H HA 0.373 4.912 4.556 -0.028 0.000 0.342 481 H C -0.195 175.220 175.328 0.144 0.000 1.054 481 H CA -0.221 55.894 56.048 0.113 0.000 1.328 481 H CB 1.927 31.765 29.762 0.127 0.000 1.876 481 H HN 0.461 nan 8.280 nan 0.000 0.495 482 G N 6.526 115.357 108.800 0.053 0.000 2.422 482 G HA2 -0.184 3.759 3.960 -0.029 0.000 0.290 482 G HA3 -0.184 3.759 3.960 -0.029 0.000 0.290 482 G C -1.782 173.133 174.900 0.026 0.000 1.059 482 G CA -0.104 45.019 45.100 0.039 0.000 1.242 482 G HN 0.507 nan 8.290 nan 0.000 0.520 483 P HA -0.095 nan 4.420 nan 0.000 0.217 483 P C 0.905 178.315 177.300 0.184 0.000 1.148 483 P CA 1.502 64.733 63.100 0.218 0.000 0.828 483 P CB 0.085 31.882 31.700 0.163 0.000 0.783 484 K N -1.373 119.054 120.400 0.045 0.000 2.972 484 K HA 0.429 4.731 4.320 -0.029 0.000 0.209 484 K C -0.130 176.408 176.600 -0.104 0.000 1.128 484 K CA -0.380 55.908 56.287 0.001 0.000 1.024 484 K CB 1.023 33.543 32.500 0.033 0.000 0.754 484 K HN -0.034 nan 8.250 nan 0.000 0.454 485 A N 1.292 123.976 122.820 -0.227 0.000 2.363 485 A HA 0.055 4.358 4.320 -0.029 0.000 0.270 485 A C 1.309 178.630 177.584 -0.437 0.000 1.121 485 A CA -0.316 51.452 52.037 -0.448 0.000 0.800 485 A CB 0.719 19.153 19.000 -0.944 0.000 1.052 485 A HN 0.337 nan 8.150 nan 0.000 0.493 486 Q N 1.906 121.543 119.800 -0.271 0.000 2.152 486 Q HA -0.247 4.076 4.340 -0.029 0.000 0.206 486 Q C 1.382 177.324 176.000 -0.098 0.000 0.985 486 Q CA 2.664 58.389 55.803 -0.130 0.000 0.863 486 Q CB -0.371 28.347 28.738 -0.032 0.000 0.904 486 Q HN 1.035 nan 8.270 nan 0.000 0.422 487 Y N -0.735 119.579 120.300 0.023 0.000 2.651 487 Y HA 0.054 4.588 4.550 -0.028 0.000 0.296 487 Y C 0.970 176.889 175.900 0.032 0.000 1.150 487 Y CA 0.873 58.999 58.100 0.042 0.000 1.348 487 Y CB -0.507 37.999 38.460 0.077 0.000 0.983 487 Y HN 0.068 nan 8.280 nan 0.000 0.555 488 N N 0.059 118.690 118.700 -0.115 0.000 2.205 488 N HA 0.028 4.750 4.740 -0.029 0.000 0.201 488 N C -0.292 174.993 175.510 -0.376 0.000 1.128 488 N CA 0.211 53.197 53.050 -0.106 0.000 0.867 488 N CB 0.260 38.724 38.487 -0.038 0.000 0.996 488 N HN 0.448 nan 8.380 nan 0.000 0.503 489 E N 0.550 120.557 120.200 -0.322 0.000 2.232 489 E HA 0.472 4.804 4.350 -0.029 0.000 0.264 489 E C 0.317 176.701 176.600 -0.360 0.000 0.973 489 E CA -0.651 55.566 56.400 -0.305 0.000 0.849 489 E CB 2.278 31.875 29.700 -0.171 0.000 1.198 489 E HN 0.135 nan 8.360 nan 0.000 0.407 490 I N -2.257 118.136 120.570 -0.296 0.000 3.174 490 I HA 0.400 4.553 4.170 -0.029 0.000 0.313 490 I C -0.452 175.580 176.117 -0.141 0.000 1.155 490 I CA -1.445 59.707 61.300 -0.246 0.000 0.977 490 I CB 1.895 39.697 38.000 -0.329 0.000 1.248 490 I HN 0.110 nan 8.210 nan 0.000 0.453 491 Q N 2.103 121.853 119.800 -0.083 0.000 2.337 491 Q HA 0.417 4.740 4.340 -0.029 0.000 0.270 491 Q C -0.077 175.907 176.000 -0.028 0.000 1.002 491 Q CA 0.425 56.238 55.803 0.017 0.000 0.888 491 Q CB 1.129 29.976 28.738 0.181 0.000 1.222 491 Q HN 0.886 nan 8.270 nan 0.000 0.400 492 G N 3.804 112.621 108.800 0.029 0.000 2.380 492 G HA2 0.310 4.252 3.960 -0.029 0.000 0.262 492 G HA3 0.310 4.252 3.960 -0.029 0.000 0.262 492 G C -1.158 173.836 174.900 0.157 0.000 1.243 492 G CA -0.511 44.597 45.100 0.014 0.000 0.865 492 G HN 0.493 nan 8.290 nan 0.000 0.513 493 W N 0.421 121.567 121.300 -0.257 0.000 2.576 493 W HA 0.397 5.039 4.660 -0.030 0.000 0.360 493 W C -0.430 175.829 176.519 -0.433 0.000 1.109 493 W CA -1.520 55.632 57.345 -0.322 0.000 1.237 493 W CB 1.455 30.736 29.460 -0.298 0.000 1.369 493 W HN 0.435 nan 8.180 nan 0.000 0.609 494 D N 0.152 120.521 120.400 -0.051 0.000 2.500 494 D HA 0.138 4.760 4.640 -0.029 0.000 0.219 494 D C 1.094 177.369 176.300 -0.041 0.000 1.137 494 D CA 0.074 54.030 54.000 -0.074 0.000 0.946 494 D CB -0.032 40.733 40.800 -0.057 0.000 1.022 494 D HN 0.341 nan 8.370 nan 0.000 0.518 495 H N 1.956 121.104 119.070 0.129 0.000 2.289 495 H HA -0.161 4.377 4.556 -0.029 0.000 0.294 495 H C 1.765 177.121 175.328 0.047 0.000 1.095 495 H CA 1.554 57.674 56.048 0.120 0.000 1.256 495 H CB 0.186 30.023 29.762 0.125 0.000 1.359 495 H HN 0.378 nan 8.280 nan 0.000 0.487 496 L N 0.014 121.323 121.223 0.144 0.000 2.353 496 L HA -0.138 4.184 4.340 -0.029 0.000 0.220 496 L C 1.741 178.611 176.870 -0.000 0.000 1.133 496 L CA 0.640 55.521 54.840 0.068 0.000 0.798 496 L CB -0.177 41.921 42.059 0.065 0.000 0.922 496 L HN 0.206 nan 8.230 nan 0.000 0.445 497 S N -0.537 115.137 115.700 -0.043 0.000 2.593 497 S HA 0.063 4.515 4.470 -0.029 0.000 0.217 497 S C 1.751 176.208 174.600 -0.238 0.000 0.966 497 S CA -0.053 58.074 58.200 -0.122 0.000 0.914 497 S CB 0.145 63.269 63.200 -0.127 0.000 0.776 497 S HN 0.182 nan 8.310 nan 0.000 0.523 498 L N 1.547 122.634 121.223 -0.227 0.000 2.027 498 L HA 0.015 4.337 4.340 -0.029 0.000 0.206 498 L C 1.990 178.581 176.870 -0.466 0.000 1.074 498 L CA 1.568 56.154 54.840 -0.423 0.000 0.745 498 L CB -1.469 40.477 42.059 -0.188 0.000 0.898 498 L HN 0.347 nan 8.230 nan 0.000 0.433 499 L N 0.019 121.059 121.223 -0.305 0.000 1.955 499 L HA -0.190 4.133 4.340 -0.029 0.000 0.213 499 L C -0.028 176.544 176.870 -0.497 0.000 1.072 499 L CA 1.567 56.172 54.840 -0.391 0.000 0.755 499 L CB -2.215 39.584 42.059 -0.432 0.000 0.888 499 L HN 0.213 nan 8.230 nan 0.000 0.432 500 P HA -0.142 nan 4.420 nan 0.000 0.216 500 P C 1.565 178.719 177.300 -0.243 0.000 1.150 500 P CA 1.582 64.471 63.100 -0.352 0.000 0.837 500 P CB -0.283 31.299 31.700 -0.198 0.000 0.786 501 T N -0.564 113.799 114.554 -0.318 0.000 2.803 501 T HA -0.118 4.214 4.350 -0.029 0.000 0.269 501 T C 0.935 175.538 174.700 -0.161 0.000 1.052 501 T CA 1.155 63.064 62.100 -0.318 0.000 1.136 501 T CB -0.698 67.863 68.868 -0.512 0.000 0.864 501 T HN 0.011 nan 8.240 nan 0.000 0.467 502 F N 0.601 120.484 119.950 -0.112 0.000 2.732 502 F HA 0.433 4.943 4.527 -0.029 0.000 0.303 502 F C 1.857 177.604 175.800 -0.089 0.000 1.110 502 F CA -0.956 56.990 58.000 -0.089 0.000 1.355 502 F CB -0.866 38.090 39.000 -0.074 0.000 1.081 502 F HN 0.258 nan 8.300 nan 0.000 0.565 503 G N 0.326 109.156 108.800 0.049 0.000 2.137 503 G HA2 -0.096 3.846 3.960 -0.029 0.000 0.237 503 G HA3 -0.096 3.846 3.960 -0.029 0.000 0.237 503 G C 0.474 175.359 174.900 -0.026 0.000 1.002 503 G CA -0.073 45.029 45.100 0.003 0.000 0.702 503 G HN 0.667 nan 8.290 nan 0.000 0.515 504 A N -0.193 122.566 122.820 -0.103 0.000 2.445 504 A HA 0.648 4.950 4.320 -0.029 0.000 0.242 504 A C 1.426 179.014 177.584 0.006 0.000 1.075 504 A CA 1.109 53.081 52.037 -0.109 0.000 0.777 504 A CB 0.491 19.269 19.000 -0.370 0.000 1.013 504 A HN 0.781 nan 8.150 nan 0.000 0.493 505 K N 0.771 121.258 120.400 0.146 0.000 2.362 505 K HA 0.133 4.436 4.320 -0.029 0.000 0.203 505 K C -0.565 176.187 176.600 0.253 0.000 1.198 505 K CA 0.706 57.111 56.287 0.196 0.000 0.908 505 K CB -0.245 32.305 32.500 0.082 0.000 1.236 505 K HN 0.524 nan 8.250 nan 0.000 0.487 506 D N 0.794 121.319 120.400 0.208 0.000 2.427 506 D HA 0.347 4.970 4.640 -0.029 0.000 0.226 506 D C -1.134 175.278 176.300 0.186 0.000 1.076 506 D CA -0.464 53.597 54.000 0.102 0.000 0.849 506 D CB 0.215 41.039 40.800 0.040 0.000 1.052 506 D HN 0.211 nan 8.370 nan 0.000 0.515 507 Y N -0.071 120.202 120.300 -0.045 0.000 2.788 507 Y HA 0.659 5.191 4.550 -0.029 0.000 0.335 507 Y C -1.364 174.496 175.900 -0.067 0.000 1.287 507 Y CA -1.200 56.865 58.100 -0.059 0.000 1.068 507 Y CB 0.874 39.303 38.460 -0.052 0.000 1.340 507 Y HN 0.122 nan 8.280 nan 0.000 0.449 508 E N 0.269 120.469 120.200 -0.000 0.000 2.356 508 E HA 0.618 4.950 4.350 -0.029 0.000 0.275 508 E C -1.559 175.012 176.600 -0.048 0.000 0.904 508 E CA -1.131 55.181 56.400 -0.148 0.000 0.757 508 E CB 2.909 32.558 29.700 -0.085 0.000 1.232 508 E HN 0.784 nan 8.360 nan 0.000 0.442 509 T N -0.973 113.434 114.554 -0.245 0.000 2.906 509 T HA 0.628 4.961 4.350 -0.029 0.000 0.295 509 T C -0.710 173.755 174.700 -0.393 0.000 1.075 509 T CA -0.890 61.136 62.100 -0.124 0.000 1.005 509 T CB 1.620 70.502 68.868 0.022 0.000 1.136 509 T HN 0.433 nan 8.240 nan 0.000 0.498 510 H N 0.170 119.239 119.070 -0.000 0.000 3.094 510 H HA 0.504 5.042 4.556 -0.029 0.000 0.346 510 H C -0.993 174.325 175.328 -0.017 0.000 1.238 510 H CA -0.738 55.289 56.048 -0.035 0.000 1.209 510 H CB 2.441 32.142 29.762 -0.101 0.000 1.911 510 H HN 0.693 nan 8.280 nan 0.000 0.540 511 R N 1.515 122.087 120.500 0.120 0.000 2.670 511 R HA 0.664 4.986 4.340 -0.029 0.000 0.289 511 R C -1.653 174.694 176.300 0.078 0.000 0.965 511 R CA -0.790 55.365 56.100 0.093 0.000 0.899 511 R CB 1.877 32.222 30.300 0.074 0.000 1.173 511 R HN 0.322 nan 8.270 nan 0.000 0.456 512 V N 2.861 122.835 119.914 0.099 0.000 2.733 512 V HA 0.544 4.646 4.120 -0.029 0.000 0.306 512 V C -0.345 175.814 176.094 0.109 0.000 1.084 512 V CA -0.104 62.262 62.300 0.110 0.000 0.905 512 V CB 1.786 33.701 31.823 0.154 0.000 1.010 512 V HN 1.019 nan 8.190 nan 0.000 0.424 513 A N 3.599 126.458 122.820 0.065 0.000 2.474 513 A HA 0.571 4.874 4.320 -0.029 0.000 0.221 513 A C 0.626 178.196 177.584 -0.023 0.000 1.298 513 A CA 0.783 52.836 52.037 0.027 0.000 1.008 513 A CB 0.568 19.575 19.000 0.013 0.000 1.217 513 A HN 0.922 nan 8.150 nan 0.000 0.553 514 T N -5.279 109.258 114.554 -0.028 0.000 2.883 514 T HA 0.439 4.771 4.350 -0.029 0.000 0.296 514 T C 0.804 175.432 174.700 -0.120 0.000 1.117 514 T CA 0.515 62.549 62.100 -0.111 0.000 1.006 514 T CB 1.124 69.936 68.868 -0.092 0.000 1.191 514 T HN -0.134 nan 8.240 nan 0.000 0.508 515 T N 1.244 115.603 114.554 -0.324 0.000 2.624 515 T HA -0.052 4.280 4.350 -0.029 0.000 0.268 515 T C 2.167 176.834 174.700 -0.055 0.000 1.041 515 T CA 2.608 64.400 62.100 -0.513 0.000 1.159 515 T CB -1.128 67.297 68.868 -0.737 0.000 0.863 515 T HN 0.894 nan 8.240 nan 0.000 0.434 516 G N 0.268 109.042 108.800 -0.043 0.000 2.443 516 G HA2 -0.144 3.798 3.960 -0.029 0.000 0.219 516 G HA3 -0.144 3.798 3.960 -0.029 0.000 0.219 516 G C 1.453 176.385 174.900 0.053 0.000 1.131 516 G CA 0.777 45.897 45.100 0.033 0.000 0.775 516 G HN 0.535 nan 8.290 nan 0.000 0.547 517 E N -0.685 119.541 120.200 0.044 0.000 2.072 517 E HA -0.082 4.250 4.350 -0.029 0.000 0.190 517 E C 1.961 178.598 176.600 0.062 0.000 0.982 517 E CA 0.505 56.925 56.400 0.034 0.000 0.803 517 E CB -0.231 29.486 29.700 0.027 0.000 0.755 517 E HN 0.554 nan 8.360 nan 0.000 0.453 518 W N 2.422 123.712 121.300 -0.017 0.000 2.315 518 W HA -0.264 4.379 4.660 -0.029 0.000 0.323 518 W C 1.294 177.824 176.519 0.018 0.000 1.233 518 W CA 1.796 59.163 57.345 0.037 0.000 1.267 518 W CB -0.329 29.261 29.460 0.216 0.000 1.160 518 W HN 0.088 nan 8.180 nan 0.000 0.474 519 D N 0.360 120.946 120.400 0.311 0.000 2.104 519 D HA -0.232 4.390 4.640 -0.029 0.000 0.194 519 D C 1.915 178.219 176.300 0.006 0.000 0.994 519 D CA 2.288 56.403 54.000 0.192 0.000 0.830 519 D CB -0.421 40.546 40.800 0.278 0.000 0.959 519 D HN 0.104 nan 8.370 nan 0.000 0.452 520 K N 0.481 120.870 120.400 -0.017 0.000 2.032 520 K HA -0.152 4.150 4.320 -0.029 0.000 0.209 520 K C 2.035 178.523 176.600 -0.187 0.000 1.048 520 K CA 0.808 57.053 56.287 -0.069 0.000 0.927 520 K CB -0.568 31.901 32.500 -0.052 0.000 0.712 520 K HN 0.025 nan 8.250 nan 0.000 0.441 521 L N 0.851 121.867 121.223 -0.346 0.000 1.988 521 L HA -0.116 4.207 4.340 -0.029 0.000 0.207 521 L C 2.332 178.772 176.870 -0.716 0.000 1.071 521 L CA 2.657 57.083 54.840 -0.690 0.000 0.744 521 L CB -1.325 40.155 42.059 -0.965 0.000 0.893 521 L HN 0.578 nan 8.230 nan 0.000 0.433 522 T N -3.246 110.918 114.554 -0.650 0.000 2.929 522 T HA -0.228 4.104 4.350 -0.029 0.000 0.271 522 T C 1.608 176.346 174.700 0.063 0.000 1.085 522 T CA 1.594 63.505 62.100 -0.315 0.000 1.125 522 T CB -0.454 68.051 68.868 -0.605 0.000 0.874 522 T HN 0.559 nan 8.240 nan 0.000 0.494 523 Q N 0.885 120.689 119.800 0.007 0.000 2.392 523 Q HA 0.193 4.515 4.340 -0.029 0.000 0.203 523 Q C 0.255 176.311 176.000 0.093 0.000 0.917 523 Q CA -0.007 55.847 55.803 0.085 0.000 0.939 523 Q CB 0.084 28.864 28.738 0.069 0.000 1.063 523 Q HN 0.635 nan 8.270 nan 0.000 0.516 524 D N 0.976 121.424 120.400 0.080 0.000 2.390 524 D HA -0.034 4.588 4.640 -0.029 0.000 0.249 524 D C 0.919 177.326 176.300 0.178 0.000 1.144 524 D CA 0.029 54.091 54.000 0.103 0.000 0.880 524 D CB 1.001 41.839 40.800 0.063 0.000 1.182 524 D HN 0.068 nan 8.370 nan 0.000 0.451 525 K N 1.074 121.549 120.400 0.125 0.000 2.057 525 K HA -0.089 4.213 4.320 -0.029 0.000 0.206 525 K C 1.655 178.330 176.600 0.123 0.000 1.050 525 K CA 0.933 57.287 56.287 0.111 0.000 0.935 525 K CB -0.113 32.430 32.500 0.072 0.000 0.715 525 K HN 0.184 nan 8.250 nan 0.000 0.439 526 S N 0.476 116.253 115.700 0.128 0.000 2.402 526 S HA -0.059 4.394 4.470 -0.029 0.000 0.229 526 S C 1.491 176.196 174.600 0.175 0.000 1.021 526 S CA 0.838 59.111 58.200 0.122 0.000 0.974 526 S CB -0.439 62.823 63.200 0.103 0.000 0.800 526 S HN 0.361 nan 8.310 nan 0.000 0.484 527 F N 3.343 123.339 119.950 0.078 0.000 2.126 527 F HA -0.074 4.435 4.527 -0.029 0.000 0.299 527 F C 1.882 177.842 175.800 0.268 0.000 1.096 527 F CA 1.198 59.270 58.000 0.121 0.000 1.255 527 F CB -0.454 38.561 39.000 0.026 0.000 0.997 527 F HN 0.164 nan 8.300 nan 0.000 0.479 528 N N 0.255 119.082 118.700 0.211 0.000 2.609 528 N HA -0.123 4.599 4.740 -0.029 0.000 0.190 528 N C -0.263 175.279 175.510 0.053 0.000 1.157 528 N CA 0.598 53.717 53.050 0.115 0.000 0.918 528 N CB -0.398 38.169 38.487 0.134 0.000 0.978 528 N HN 0.295 nan 8.380 nan 0.000 0.448 529 D N 0.962 121.405 120.400 0.072 0.000 2.193 529 D HA 0.049 4.671 4.640 -0.029 0.000 0.244 529 D C -0.325 176.004 176.300 0.049 0.000 1.064 529 D CA -0.588 53.442 54.000 0.050 0.000 0.845 529 D CB 0.551 41.374 40.800 0.039 0.000 1.148 529 D HN 0.079 nan 8.370 nan 0.000 0.464 530 N N 1.946 120.675 118.700 0.047 0.000 3.124 530 N HA -0.027 4.696 4.740 -0.029 0.000 0.284 530 N C 0.249 175.730 175.510 -0.049 0.000 1.209 530 N CA -0.335 52.703 53.050 -0.020 0.000 1.149 530 N CB 0.226 38.738 38.487 0.041 0.000 1.434 530 N HN 0.189 nan 8.380 nan 0.000 0.529 531 S N -0.174 115.490 115.700 -0.059 0.000 2.503 531 S HA 0.046 4.499 4.470 -0.029 0.000 0.217 531 S C 0.512 175.080 174.600 -0.053 0.000 0.999 531 S CA -0.000 58.176 58.200 -0.039 0.000 0.914 531 S CB -0.033 63.156 63.200 -0.019 0.000 0.782 531 S HN 0.697 nan 8.310 nan 0.000 0.520 532 K N 0.549 120.891 120.400 -0.097 0.000 2.615 532 K HA 0.503 4.805 4.320 -0.029 0.000 0.291 532 K C -1.073 175.439 176.600 -0.147 0.000 1.017 532 K CA -1.214 55.024 56.287 -0.082 0.000 0.882 532 K CB 0.595 33.068 32.500 -0.045 0.000 1.522 532 K HN 0.169 nan 8.250 nan 0.000 0.412 533 I N -0.123 120.396 120.570 -0.085 0.000 2.696 533 I HA 0.340 4.492 4.170 -0.029 0.000 0.284 533 I C -0.232 175.827 176.117 -0.097 0.000 1.129 533 I CA -0.509 60.725 61.300 -0.110 0.000 1.410 533 I CB 0.215 38.195 38.000 -0.034 0.000 1.399 533 I HN 0.428 nan 8.210 nan 0.000 0.579 534 R N 5.272 125.666 120.500 -0.177 0.000 2.698 534 R HA 0.663 4.986 4.340 -0.029 0.000 0.275 534 R C -1.237 175.012 176.300 -0.085 0.000 1.001 534 R CA -0.929 55.106 56.100 -0.108 0.000 0.896 534 R CB 2.667 32.863 30.300 -0.173 0.000 1.218 534 R HN 0.696 nan 8.270 nan 0.000 0.462 535 M N 3.022 122.619 119.600 -0.005 0.000 2.253 535 M HA 0.477 4.939 4.480 -0.029 0.000 0.314 535 M C -1.728 174.559 176.300 -0.023 0.000 1.019 535 M CA -0.844 54.439 55.300 -0.027 0.000 0.932 535 M CB 1.383 33.995 32.600 0.019 0.000 1.606 535 M HN 0.511 nan 8.290 nan 0.000 0.430 536 I N 3.929 124.414 120.570 -0.142 0.000 2.410 536 I HA 0.354 4.507 4.170 -0.029 0.000 0.286 536 I C -0.379 175.753 176.117 0.024 0.000 1.009 536 I CA -0.259 60.981 61.300 -0.100 0.000 1.111 536 I CB 1.797 39.564 38.000 -0.388 0.000 1.262 536 I HN 0.634 nan 8.210 nan 0.000 0.443 537 E N 6.773 127.023 120.200 0.084 0.000 2.200 537 E HA 0.544 4.876 4.350 -0.029 0.000 0.283 537 E C -1.089 175.602 176.600 0.152 0.000 1.015 537 E CA -0.468 55.997 56.400 0.108 0.000 0.819 537 E CB 0.962 30.738 29.700 0.128 0.000 1.081 537 E HN 0.514 nan 8.360 nan 0.000 0.397 538 I N 4.865 125.539 120.570 0.173 0.000 2.362 538 I HA 0.243 4.396 4.170 -0.029 0.000 0.289 538 I C -0.211 175.981 176.117 0.124 0.000 0.994 538 I CA -0.903 60.513 61.300 0.192 0.000 1.158 538 I CB 1.373 39.535 38.000 0.270 0.000 1.315 538 I HN 0.378 nan 8.210 nan 0.000 0.451 539 M N 7.010 126.668 119.600 0.098 0.000 2.108 539 M HA 0.497 4.960 4.480 -0.029 0.000 0.354 539 M C -0.832 175.491 176.300 0.038 0.000 1.229 539 M CA -0.518 54.822 55.300 0.066 0.000 1.081 539 M CB 1.040 33.673 32.600 0.055 0.000 1.606 539 M HN 0.316 nan 8.290 nan 0.000 0.467 540 L N 4.965 126.206 121.223 0.029 0.000 2.350 540 L HA 0.717 5.039 4.340 -0.029 0.000 0.260 540 L C -2.224 174.648 176.870 0.004 0.000 1.015 540 L CA -2.060 52.786 54.840 0.010 0.000 0.821 540 L CB 2.036 44.106 42.059 0.020 0.000 1.370 540 L HN 0.396 nan 8.230 nan 0.000 0.416 541 P HA 0.164 nan 4.420 nan 0.000 0.272 541 P C 0.948 178.229 177.300 -0.032 0.000 1.223 541 P CA -0.382 62.722 63.100 0.007 0.000 0.784 541 P CB 0.711 32.432 31.700 0.036 0.000 0.923 542 V N 1.089 120.946 119.914 -0.095 0.000 2.343 542 V HA -0.216 3.886 4.120 -0.029 0.000 0.247 542 V C 1.288 177.080 176.094 -0.502 0.000 1.051 542 V CA 1.926 64.027 62.300 -0.333 0.000 1.036 542 V CB -1.106 30.405 31.823 -0.520 0.000 0.654 542 V HN 0.520 nan 8.190 nan 0.000 0.451 543 F N -0.312 119.646 119.950 0.014 0.000 2.645 543 F HA 0.325 4.834 4.527 -0.029 0.000 0.300 543 F C 0.680 176.489 175.800 0.016 0.000 1.115 543 F CA -0.762 57.245 58.000 0.012 0.000 1.355 543 F CB -0.173 38.827 39.000 -0.001 0.000 1.026 543 F HN 0.094 nan 8.300 nan 0.000 0.536 544 D N 1.234 121.693 120.400 0.098 0.000 2.350 544 D HA 0.586 5.208 4.640 -0.029 0.000 0.249 544 D C -0.224 176.128 176.300 0.087 0.000 1.119 544 D CA 0.227 54.279 54.000 0.086 0.000 0.886 544 D CB 1.029 41.864 40.800 0.057 0.000 1.195 544 D HN 0.222 nan 8.370 nan 0.000 0.437 545 A N 3.184 126.061 122.820 0.094 0.000 2.536 545 A HA 0.617 4.920 4.320 -0.029 0.000 0.293 545 A C -2.813 174.840 177.584 0.114 0.000 1.119 545 A CA -1.236 50.867 52.037 0.110 0.000 0.654 545 A CB 0.697 19.730 19.000 0.054 0.000 1.291 545 A HN 0.480 nan 8.150 nan 0.000 0.439 546 P HA 0.215 nan 4.420 nan 0.000 0.271 546 P C 0.515 177.837 177.300 0.036 0.000 1.226 546 P CA 0.184 63.349 63.100 0.108 0.000 0.765 546 P CB 0.714 32.464 31.700 0.084 0.000 0.835 547 Q N 3.274 123.098 119.800 0.041 0.000 2.028 547 Q HA -0.332 3.990 4.340 -0.029 0.000 0.213 547 Q C 1.893 177.888 176.000 -0.009 0.000 1.017 547 Q CA 2.495 58.310 55.803 0.019 0.000 0.875 547 Q CB -0.306 28.448 28.738 0.027 0.000 0.962 547 Q HN 0.567 nan 8.270 nan 0.000 0.413 548 N N 0.371 119.061 118.700 -0.015 0.000 2.094 548 N HA -0.236 4.487 4.740 -0.029 0.000 0.191 548 N C 1.877 177.347 175.510 -0.066 0.000 1.023 548 N CA 1.547 54.577 53.050 -0.033 0.000 0.857 548 N CB -0.651 37.819 38.487 -0.029 0.000 1.013 548 N HN 0.247 nan 8.380 nan 0.000 0.426 549 L N 1.357 122.523 121.223 -0.096 0.000 2.046 549 L HA -0.041 4.282 4.340 -0.029 0.000 0.208 549 L C 2.405 179.193 176.870 -0.137 0.000 1.077 549 L CA 1.101 55.822 54.840 -0.199 0.000 0.747 549 L CB -0.528 41.324 42.059 -0.345 0.000 0.896 549 L HN -0.034 nan 8.230 nan 0.000 0.432 550 V N -0.248 119.624 119.914 -0.070 0.000 2.343 550 V HA -0.288 3.815 4.120 -0.029 0.000 0.247 550 V C 2.548 178.620 176.094 -0.037 0.000 1.051 550 V CA 2.026 64.305 62.300 -0.036 0.000 1.036 550 V CB -0.601 31.221 31.823 -0.001 0.000 0.654 550 V HN 0.480 nan 8.190 nan 0.000 0.451 551 K N -0.217 120.161 120.400 -0.037 0.000 2.062 551 K HA -0.211 4.091 4.320 -0.029 0.000 0.205 551 K C 2.210 178.786 176.600 -0.040 0.000 1.051 551 K CA 1.521 57.789 56.287 -0.033 0.000 0.941 551 K CB -0.210 32.275 32.500 -0.026 0.000 0.719 551 K HN 0.570 nan 8.250 nan 0.000 0.440 552 Q N 1.458 121.225 119.800 -0.054 0.000 1.985 552 Q HA -0.251 4.072 4.340 -0.029 0.000 0.207 552 Q C 2.085 178.054 176.000 -0.051 0.000 0.996 552 Q CA 2.079 57.848 55.803 -0.057 0.000 0.851 552 Q CB -0.345 28.346 28.738 -0.078 0.000 0.921 552 Q HN 0.244 nan 8.270 nan 0.000 0.418 553 A N 1.363 124.144 122.820 -0.065 0.000 1.883 553 A HA -0.383 3.919 4.320 -0.029 0.000 0.222 553 A C 2.125 179.690 177.584 -0.032 0.000 1.339 553 A CA 2.754 54.762 52.037 -0.049 0.000 0.692 553 A CB -1.190 17.781 19.000 -0.048 0.000 0.845 553 A HN 0.506 nan 8.150 nan 0.000 0.467 554 K N 0.001 120.382 120.400 -0.032 0.000 2.160 554 K HA -0.037 4.266 4.320 -0.029 0.000 0.206 554 K C 1.170 177.754 176.600 -0.027 0.000 1.047 554 K CA 1.387 57.656 56.287 -0.031 0.000 0.930 554 K CB -0.639 31.840 32.500 -0.034 0.000 0.720 554 K HN 0.504 nan 8.250 nan 0.000 0.450 555 L N 1.668 122.877 121.223 -0.025 0.000 2.855 555 L HA 0.134 4.456 4.340 -0.029 0.000 0.245 555 L C -0.328 176.533 176.870 -0.016 0.000 1.276 555 L CA -0.205 54.623 54.840 -0.020 0.000 1.118 555 L CB -0.660 41.388 42.059 -0.019 0.000 1.444 555 L HN 0.154 nan 8.230 nan 0.000 0.440 556 T N 0.000 114.545 114.554 -0.015 0.000 3.816 556 T HA 0.000 4.332 4.350 -0.029 0.000 0.228 556 T CA 0.000 62.097 62.100 -0.006 0.000 1.349 556 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 556 T HN 0.000 nan 8.240 nan 0.000 0.658