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 2bp7_1_B DATA FIRST_RESID 2 DATA SEQUENCE ATTTMTMIQA LRSAMDVMLE RDDNVVVYGQ DVGYFGGVFR CTEGLQTKYG DATA SEQUENCE KSRVFDAPIS ESGIVGTAVG MGAYGLRPVV EIQFADYFYP ASDQIVSEMA DATA SEQUENCE RLRYRSAGEF IAPLTLRMPC GGGIYGGQTH SQSPEAMFTQ VCGLRTVMPS DATA SEQUENCE NPYDAKGLLI ASIECDDPVI FLEPKRLYNG PFDGHHDRPV TPWSKHPHSA DATA SEQUENCE VPDGYYTVPL DKAAITRPGN DVSVLTYGTT VYVAQVAAEE SGVDAEVIDL DATA SEQUENCE RSLWPLDLDT IVESVKKTGR CVVVHEATRT CGFGAELVSL VQEHCFHHLE DATA SEQUENCE APIERVTGWD TPYPHAQEWA YFPGPSRVGA ALKKVMEV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.011 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.009 19.000 0.015 0.000 0.831 3 T N 0.187 114.749 114.554 0.013 0.000 2.894 3 T HA 0.729 5.079 4.350 -0.000 0.000 0.309 3 T C -1.243 173.472 174.700 0.025 0.000 1.208 3 T CA -0.001 62.108 62.100 0.016 0.000 1.016 3 T CB 1.944 70.815 68.868 0.006 0.000 1.192 3 T HN 0.934 nan 8.240 nan 0.000 0.491 4 T N 1.679 116.254 114.554 0.034 0.000 2.916 4 T HA 0.486 4.836 4.350 -0.000 0.000 0.305 4 T C -0.578 174.151 174.700 0.049 0.000 1.119 4 T CA -0.647 61.475 62.100 0.038 0.000 1.008 4 T CB 1.711 70.600 68.868 0.036 0.000 1.129 4 T HN 0.544 nan 8.240 nan 0.000 0.480 5 T N 3.046 117.632 114.554 0.054 0.000 2.737 5 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 5 T C -0.020 174.725 174.700 0.074 0.000 0.922 5 T CA -0.354 61.790 62.100 0.073 0.000 1.079 5 T CB 0.017 68.934 68.868 0.082 0.000 0.892 5 T HN 0.332 nan 8.240 nan 0.000 0.514 6 M N 2.189 121.831 119.600 0.069 0.000 2.602 6 M HA 0.577 5.057 4.480 -0.000 0.000 0.312 6 M C 0.680 177.002 176.300 0.037 0.000 1.181 6 M CA -1.292 54.035 55.300 0.045 0.000 0.910 6 M CB 1.769 34.375 32.600 0.011 0.000 1.723 6 M HN 0.902 nan 8.290 nan 0.000 0.459 7 T N -1.636 112.953 114.554 0.057 0.000 2.824 7 T HA 0.359 4.709 4.350 -0.000 0.000 0.277 7 T C 1.282 175.905 174.700 -0.127 0.000 0.975 7 T CA -0.021 62.125 62.100 0.075 0.000 0.966 7 T CB 0.891 69.907 68.868 0.246 0.000 1.054 7 T HN 0.663 nan 8.240 nan 0.000 0.533 8 M N 0.629 120.124 119.600 -0.175 0.000 2.080 8 M HA -0.041 4.439 4.480 -0.000 0.000 0.260 8 M C 2.267 178.544 176.300 -0.039 0.000 1.068 8 M CA 1.466 56.712 55.300 -0.089 0.000 1.109 8 M CB -1.782 30.908 32.600 0.150 0.000 1.342 8 M HN 0.736 nan 8.290 nan 0.000 0.405 9 I N -0.058 120.462 120.570 -0.083 0.000 2.118 9 I HA -0.387 3.783 4.170 -0.000 0.000 0.241 9 I C 2.666 178.704 176.117 -0.132 0.000 1.070 9 I CA 2.404 63.561 61.300 -0.239 0.000 1.327 9 I CB -0.690 37.149 38.000 -0.269 0.000 1.034 9 I HN 0.527 nan 8.210 nan 0.000 0.405 10 Q N 0.423 120.180 119.800 -0.071 0.000 2.167 10 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 10 Q C 2.416 178.386 176.000 -0.049 0.000 0.970 10 Q CA 1.392 57.166 55.803 -0.048 0.000 0.855 10 Q CB -0.253 28.477 28.738 -0.014 0.000 0.911 10 Q HN 0.587 nan 8.270 nan 0.000 0.438 11 A N 1.178 123.962 122.820 -0.060 0.000 1.873 11 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 11 A C 2.100 179.638 177.584 -0.077 0.000 1.186 11 A CA 1.066 53.067 52.037 -0.060 0.000 0.616 11 A CB -0.655 18.298 19.000 -0.079 0.000 0.823 11 A HN 0.261 nan 8.150 nan 0.000 0.442 12 L N -1.036 120.142 121.223 -0.074 0.000 2.046 12 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 12 L C 2.740 179.544 176.870 -0.109 0.000 1.077 12 L CA 1.826 56.612 54.840 -0.090 0.000 0.747 12 L CB -0.502 41.533 42.059 -0.041 0.000 0.896 12 L HN 0.429 nan 8.230 nan 0.000 0.432 13 R N -0.360 120.084 120.500 -0.093 0.000 2.091 13 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 13 R C 2.602 178.867 176.300 -0.058 0.000 1.136 13 R CA 1.829 57.882 56.100 -0.077 0.000 0.959 13 R CB -0.282 29.976 30.300 -0.070 0.000 0.856 13 R HN 0.225 nan 8.270 nan 0.000 0.437 14 S N -0.385 115.285 115.700 -0.050 0.000 2.356 14 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 14 S C 1.958 176.524 174.600 -0.056 0.000 1.032 14 S CA 1.216 59.399 58.200 -0.029 0.000 1.005 14 S CB -0.315 62.879 63.200 -0.010 0.000 0.867 14 S HN 0.550 nan 8.310 nan 0.000 0.449 15 A N 1.060 123.813 122.820 -0.112 0.000 1.892 15 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 15 A C 2.523 180.017 177.584 -0.149 0.000 1.188 15 A CA 2.386 54.320 52.037 -0.171 0.000 0.631 15 A CB -0.980 17.869 19.000 -0.252 0.000 0.822 15 A HN 0.549 nan 8.150 nan 0.000 0.447 16 M N -0.783 118.729 119.600 -0.147 0.000 2.159 16 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 16 M C 2.049 178.278 176.300 -0.118 0.000 1.063 16 M CA 2.022 57.233 55.300 -0.147 0.000 1.110 16 M CB -1.364 31.151 32.600 -0.142 0.000 1.374 16 M HN 0.833 nan 8.290 nan 0.000 0.411 17 D N -0.126 120.251 120.400 -0.040 0.000 2.144 17 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 17 D C 1.741 178.076 176.300 0.058 0.000 0.978 17 D CA 1.438 55.479 54.000 0.068 0.000 0.833 17 D CB -0.057 40.812 40.800 0.114 0.000 0.961 17 D HN 0.295 nan 8.370 nan 0.000 0.470 18 V N -0.271 119.653 119.914 0.017 0.000 2.270 18 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 18 V C 2.814 178.906 176.094 -0.004 0.000 1.043 18 V CA 1.852 64.175 62.300 0.039 0.000 1.014 18 V CB -0.609 31.248 31.823 0.057 0.000 0.645 18 V HN 0.278 nan 8.190 nan 0.000 0.447 19 M N -1.163 118.404 119.600 -0.055 0.000 2.175 19 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 19 M C 2.156 178.363 176.300 -0.154 0.000 1.063 19 M CA 1.118 56.365 55.300 -0.087 0.000 1.119 19 M CB -1.281 31.257 32.600 -0.103 0.000 1.377 19 M HN 0.428 nan 8.290 nan 0.000 0.415 20 L N 0.447 121.518 121.223 -0.253 0.000 2.127 20 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 20 L C 2.393 179.007 176.870 -0.426 0.000 1.089 20 L CA 2.312 56.858 54.840 -0.490 0.000 0.757 20 L CB -0.922 40.578 42.059 -0.932 0.000 0.899 20 L HN 0.547 nan 8.230 nan 0.000 0.434 21 E N -0.997 119.105 120.200 -0.162 0.000 2.102 21 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 21 E C 2.362 178.960 176.600 -0.003 0.000 0.971 21 E CA 0.673 57.106 56.400 0.056 0.000 0.821 21 E CB -0.096 29.709 29.700 0.175 0.000 0.777 21 E HN 0.224 nan 8.360 nan 0.000 0.460 22 R N 0.372 120.844 120.500 -0.046 0.000 2.083 22 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 22 R C -0.159 176.093 176.300 -0.080 0.000 1.137 22 R CA 1.708 57.757 56.100 -0.084 0.000 0.951 22 R CB -0.067 30.153 30.300 -0.134 0.000 0.851 22 R HN 0.126 nan 8.270 nan 0.000 0.434 23 D N -0.603 119.751 120.400 -0.078 0.000 2.549 23 D HA 0.076 4.716 4.640 -0.000 0.000 0.251 23 D C -0.376 175.894 176.300 -0.050 0.000 1.153 23 D CA -0.403 53.560 54.000 -0.062 0.000 0.861 23 D CB 1.212 41.972 40.800 -0.065 0.000 1.207 23 D HN -0.013 nan 8.370 nan 0.000 0.543 24 D N 2.373 122.759 120.400 -0.023 0.000 2.190 24 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 24 D C 0.896 177.197 176.300 0.002 0.000 0.992 24 D CA 0.833 54.831 54.000 -0.004 0.000 0.854 24 D CB 0.374 41.183 40.800 0.014 0.000 0.936 24 D HN 0.451 nan 8.370 nan 0.000 0.462 25 N N 0.306 119.010 118.700 0.006 0.000 2.494 25 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 25 N C 0.334 175.850 175.510 0.010 0.000 1.076 25 N CA 0.058 53.124 53.050 0.028 0.000 0.908 25 N CB 0.460 38.973 38.487 0.043 0.000 0.967 25 N HN 0.039 nan 8.380 nan 0.000 0.449 26 V N 1.734 121.630 119.914 -0.030 0.000 2.572 26 V HA 0.095 4.215 4.120 -0.000 0.000 0.291 26 V C 0.358 176.422 176.094 -0.051 0.000 1.039 26 V CA -0.029 62.237 62.300 -0.057 0.000 1.055 26 V CB 1.305 33.063 31.823 -0.109 0.000 0.969 26 V HN -0.172 nan 8.190 nan 0.000 0.482 27 V N 5.390 125.293 119.914 -0.020 0.000 2.789 27 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 27 V C -0.528 175.553 176.094 -0.022 0.000 1.073 27 V CA -0.573 61.740 62.300 0.022 0.000 0.921 27 V CB 2.512 34.416 31.823 0.135 0.000 1.009 27 V HN 0.564 nan 8.190 nan 0.000 0.426 28 V N 5.778 125.651 119.914 -0.069 0.000 2.444 28 V HA 0.657 4.777 4.120 -0.000 0.000 0.294 28 V C -0.875 175.089 176.094 -0.217 0.000 1.022 28 V CA -0.535 61.679 62.300 -0.142 0.000 0.850 28 V CB 1.182 32.923 31.823 -0.137 0.000 0.992 28 V HN 0.915 nan 8.190 nan 0.000 0.426 29 Y N 2.473 122.508 120.300 -0.443 0.000 2.689 29 Y HA 1.017 5.567 4.550 -0.000 0.000 0.333 29 Y C -0.047 175.692 175.900 -0.269 0.000 1.190 29 Y CA -0.443 57.311 58.100 -0.578 0.000 1.063 29 Y CB 1.886 39.559 38.460 -1.311 0.000 1.294 29 Y HN 1.010 nan 8.280 nan 0.000 0.466 30 G N 0.382 109.151 108.800 -0.052 0.000 2.368 30 G HA2 0.203 4.163 3.960 -0.000 0.000 0.302 30 G HA3 0.203 4.163 3.960 -0.000 0.000 0.302 30 G C -2.170 172.775 174.900 0.075 0.000 1.329 30 G CA -1.376 43.710 45.100 -0.023 0.000 0.935 30 G HN 0.789 nan 8.290 nan 0.000 0.590 31 Q N 0.866 120.717 119.800 0.086 0.000 2.271 31 Q HA 0.369 4.709 4.340 -0.000 0.000 0.273 31 Q C 0.042 176.118 176.000 0.127 0.000 1.051 31 Q CA 0.709 56.577 55.803 0.109 0.000 0.901 31 Q CB 0.462 29.261 28.738 0.103 0.000 1.174 31 Q HN 0.571 nan 8.270 nan 0.000 0.385 32 D N 1.014 121.504 120.400 0.150 0.000 3.079 32 D HA -0.200 4.440 4.640 -0.000 0.000 0.214 32 D C 0.573 177.012 176.300 0.232 0.000 1.145 32 D CA 0.650 54.782 54.000 0.220 0.000 0.958 32 D CB -1.077 39.877 40.800 0.257 0.000 1.117 32 D HN 0.387 nan 8.370 nan 0.000 0.416 33 V N 0.172 120.171 119.914 0.142 0.000 2.548 33 V HA -0.083 4.037 4.120 -0.000 0.000 0.249 33 V C 2.436 178.583 176.094 0.088 0.000 1.055 33 V CA 2.246 64.593 62.300 0.079 0.000 1.065 33 V CB -0.102 31.729 31.823 0.014 0.000 0.681 33 V HN 0.423 nan 8.190 nan 0.000 0.462 34 G N -1.410 107.478 108.800 0.146 0.000 2.587 34 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.197 34 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.197 34 G C 1.297 176.312 174.900 0.192 0.000 1.540 34 G CA 0.862 46.066 45.100 0.173 0.000 0.910 34 G HN 0.361 nan 8.290 nan 0.000 0.437 35 Y N 0.147 120.528 120.300 0.136 0.000 2.081 35 Y HA -0.199 4.351 4.550 -0.000 0.000 0.280 35 Y C 2.408 178.406 175.900 0.164 0.000 1.163 35 Y CA 2.422 60.602 58.100 0.132 0.000 1.135 35 Y CB -0.369 38.168 38.460 0.129 0.000 0.970 35 Y HN 0.186 nan 8.280 nan 0.000 0.498 36 F N 0.520 120.618 119.950 0.246 0.000 2.365 36 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 36 F C 1.851 177.672 175.800 0.036 0.000 1.090 36 F CA 1.368 59.457 58.000 0.148 0.000 1.408 36 F CB -0.535 38.554 39.000 0.148 0.000 1.060 36 F HN 0.234 nan 8.300 nan 0.000 0.534 37 G N 0.240 109.009 108.800 -0.052 0.000 2.147 37 G HA2 0.084 4.044 3.960 -0.000 0.000 0.244 37 G HA3 0.084 4.044 3.960 -0.000 0.000 0.244 37 G C 0.673 175.447 174.900 -0.209 0.000 1.005 37 G CA 0.323 45.325 45.100 -0.162 0.000 0.713 37 G HN 1.534 nan 8.290 nan 0.000 0.515 38 G N -2.570 106.163 108.800 -0.112 0.000 2.777 38 G HA2 0.185 4.145 3.960 -0.000 0.000 0.686 38 G HA3 0.185 4.145 3.960 -0.000 0.000 0.686 38 G C 0.971 175.807 174.900 -0.107 0.000 1.177 38 G CA 0.622 45.706 45.100 -0.026 0.000 0.775 38 G HN 1.864 nan 8.290 nan 0.000 0.613 39 V N -0.668 119.283 119.914 0.062 0.000 3.186 39 V HA 0.228 4.348 4.120 -0.000 0.000 0.270 39 V C 1.624 177.485 176.094 -0.389 0.000 1.149 39 V CA 2.156 64.439 62.300 -0.027 0.000 1.160 39 V CB -0.803 30.965 31.823 -0.091 0.000 0.758 39 V HN 0.840 nan 8.190 nan 0.000 0.516 40 F N -0.222 119.692 119.950 -0.060 0.000 2.735 40 F HA 0.553 5.080 4.527 -0.000 0.000 0.308 40 F C 1.528 177.183 175.800 -0.241 0.000 1.112 40 F CA -0.503 57.415 58.000 -0.136 0.000 1.235 40 F CB 0.280 39.180 39.000 -0.166 0.000 1.027 40 F HN -0.051 nan 8.300 nan 0.000 0.528 41 R N -1.771 118.653 120.500 -0.126 0.000 3.953 41 R HA -0.273 4.067 4.340 -0.000 0.000 0.448 41 R C 1.271 177.482 176.300 -0.148 0.000 1.016 41 R CA 1.086 57.081 56.100 -0.176 0.000 1.398 41 R CB -2.433 27.787 30.300 -0.134 0.000 2.021 41 R HN 0.413 nan 8.270 nan 0.000 0.538 42 C N 0.172 119.391 119.300 -0.135 0.000 2.409 42 C HA -0.085 4.375 4.460 -0.000 0.000 0.288 42 C C 2.027 176.956 174.990 -0.101 0.000 1.395 42 C CA 1.502 60.435 59.018 -0.141 0.000 1.792 42 C CB -0.891 26.766 27.740 -0.138 0.000 1.847 42 C HN 0.700 nan 8.230 nan 0.000 0.534 43 T N -3.422 111.076 114.554 -0.093 0.000 3.288 43 T HA 0.140 4.490 4.350 -0.000 0.000 0.293 43 T C -0.063 174.594 174.700 -0.073 0.000 1.008 43 T CA -0.146 61.912 62.100 -0.070 0.000 0.929 43 T CB -0.141 68.696 68.868 -0.051 0.000 1.152 43 T HN 0.349 nan 8.240 nan 0.000 0.517 44 E N 1.573 121.710 120.200 -0.104 0.000 2.452 44 E HA 0.290 4.640 4.350 -0.000 0.000 0.261 44 E C 1.486 178.040 176.600 -0.076 0.000 0.987 44 E CA 1.383 57.713 56.400 -0.117 0.000 0.926 44 E CB 0.555 30.178 29.700 -0.129 0.000 0.934 44 E HN 0.616 nan 8.360 nan 0.000 0.452 45 G N 2.971 111.719 108.800 -0.087 0.000 2.302 45 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 45 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 45 G C 1.083 175.970 174.900 -0.021 0.000 0.995 45 G CA 0.668 45.727 45.100 -0.068 0.000 0.622 45 G HN 0.505 nan 8.290 nan 0.000 0.538 46 L N 0.022 121.260 121.223 0.026 0.000 2.012 46 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 46 L C 2.883 179.856 176.870 0.170 0.000 1.073 46 L CA 2.384 57.309 54.840 0.141 0.000 0.748 46 L CB -0.600 41.526 42.059 0.112 0.000 0.891 46 L HN 0.548 nan 8.230 nan 0.000 0.431 47 Q N -0.248 119.609 119.800 0.094 0.000 2.084 47 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 47 Q C 2.064 178.104 176.000 0.068 0.000 0.978 47 Q CA 2.333 58.201 55.803 0.109 0.000 0.844 47 Q CB -0.036 28.765 28.738 0.105 0.000 0.898 47 Q HN 0.433 nan 8.270 nan 0.000 0.426 48 T N 0.946 115.500 114.554 -0.001 0.000 2.720 48 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 48 T C 1.668 176.334 174.700 -0.057 0.000 1.037 48 T CA 1.710 63.789 62.100 -0.034 0.000 1.144 48 T CB -0.178 68.645 68.868 -0.075 0.000 0.864 48 T HN 0.305 nan 8.240 nan 0.000 0.444 49 K N -0.491 119.845 120.400 -0.105 0.000 2.103 49 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 49 K C 1.455 177.817 176.600 -0.396 0.000 1.052 49 K CA 1.199 57.306 56.287 -0.301 0.000 0.945 49 K CB 0.009 32.230 32.500 -0.464 0.000 0.722 49 K HN 0.453 nan 8.250 nan 0.000 0.443 50 Y N -0.747 119.559 120.300 0.009 0.000 2.430 50 Y HA 0.266 4.816 4.550 -0.000 0.000 0.248 50 Y C 0.602 176.521 175.900 0.032 0.000 1.108 50 Y CA 0.113 58.224 58.100 0.018 0.000 1.264 50 Y CB 1.617 40.088 38.460 0.018 0.000 1.172 50 Y HN 0.206 nan 8.280 nan 0.000 0.520 51 G N 0.668 109.564 108.800 0.160 0.000 2.663 51 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 51 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 51 G C -0.014 174.978 174.900 0.153 0.000 1.246 51 G CA -0.507 44.667 45.100 0.124 0.000 0.795 51 G HN 0.179 nan 8.290 nan 0.000 0.627 52 K N 0.439 120.917 120.400 0.129 0.000 2.147 52 K HA 0.027 4.347 4.320 -0.000 0.000 0.205 52 K C 2.692 179.396 176.600 0.173 0.000 1.049 52 K CA 1.760 58.144 56.287 0.161 0.000 0.936 52 K CB -0.163 32.397 32.500 0.099 0.000 0.722 52 K HN 0.356 nan 8.250 nan 0.000 0.446 53 S N 0.419 116.174 115.700 0.091 0.000 2.469 53 S HA -0.043 4.427 4.470 -0.000 0.000 0.238 53 S C 1.525 176.236 174.600 0.186 0.000 0.998 53 S CA 0.974 59.205 58.200 0.052 0.000 0.957 53 S CB -0.030 63.178 63.200 0.014 0.000 0.764 53 S HN 0.248 nan 8.310 nan 0.000 0.514 54 R N -0.291 120.350 120.500 0.235 0.000 2.194 54 R HA 0.274 4.614 4.340 -0.000 0.000 0.194 54 R C -0.178 176.234 176.300 0.187 0.000 0.985 54 R CA 0.479 56.696 56.100 0.195 0.000 1.104 54 R CB 0.303 30.672 30.300 0.115 0.000 1.092 54 R HN 0.177 nan 8.270 nan 0.000 0.555 55 V N 3.395 123.435 119.914 0.211 0.000 2.407 55 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 55 V C -0.880 175.348 176.094 0.223 0.000 1.018 55 V CA -0.786 61.578 62.300 0.106 0.000 0.842 55 V CB 1.222 33.096 31.823 0.086 0.000 0.996 55 V HN 0.180 nan 8.190 nan 0.000 0.426 56 F N 0.997 121.018 119.950 0.117 0.000 2.645 56 F HA 0.691 5.218 4.527 -0.000 0.000 0.310 56 F C -0.521 175.364 175.800 0.142 0.000 1.102 56 F CA -1.240 56.823 58.000 0.105 0.000 0.952 56 F CB 1.157 40.181 39.000 0.040 0.000 1.326 56 F HN 0.309 nan 8.300 nan 0.000 0.456 57 D N 1.489 122.101 120.400 0.354 0.000 2.341 57 D HA 0.510 5.150 4.640 -0.000 0.000 0.245 57 D C -0.439 176.053 176.300 0.319 0.000 1.106 57 D CA 0.302 54.458 54.000 0.259 0.000 0.905 57 D CB 1.903 42.827 40.800 0.207 0.000 1.202 57 D HN 0.877 nan 8.370 nan 0.000 0.426 58 A N 2.507 125.474 122.820 0.245 0.000 2.384 58 A HA 0.677 4.997 4.320 -0.000 0.000 0.312 58 A C -2.499 175.183 177.584 0.164 0.000 1.113 58 A CA -1.327 50.865 52.037 0.258 0.000 0.779 58 A CB 1.039 20.234 19.000 0.325 0.000 1.307 58 A HN 0.279 nan 8.150 nan 0.000 0.436 59 P HA 0.235 nan 4.420 nan 0.000 0.270 59 P C -0.524 176.826 177.300 0.083 0.000 1.223 59 P CA -0.117 63.036 63.100 0.089 0.000 0.785 59 P CB 0.267 32.011 31.700 0.074 0.000 0.923 60 I N 0.807 121.408 120.570 0.053 0.000 2.352 60 I HA 0.103 4.273 4.170 -0.000 0.000 0.303 60 I C 0.510 176.651 176.117 0.040 0.000 1.194 60 I CA 0.719 62.043 61.300 0.039 0.000 1.518 60 I CB -0.808 37.196 38.000 0.006 0.000 1.489 60 I HN 0.158 nan 8.210 nan 0.000 0.702 61 S N 3.459 119.198 115.700 0.064 0.000 2.609 61 S HA 0.275 4.745 4.470 -0.000 0.000 0.250 61 S C 0.515 175.166 174.600 0.086 0.000 1.112 61 S CA -0.626 57.614 58.200 0.066 0.000 1.102 61 S CB 0.880 64.120 63.200 0.067 0.000 1.124 61 S HN 0.508 nan 8.310 nan 0.000 0.460 62 E N 1.858 122.109 120.200 0.086 0.000 2.047 62 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 62 E C 2.158 178.818 176.600 0.099 0.000 0.987 62 E CA 1.797 58.258 56.400 0.102 0.000 0.799 62 E CB -0.079 29.698 29.700 0.128 0.000 0.752 62 E HN 0.749 nan 8.360 nan 0.000 0.449 63 S N -0.283 115.471 115.700 0.091 0.000 2.402 63 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 63 S C 2.216 176.868 174.600 0.087 0.000 1.021 63 S CA 1.005 59.257 58.200 0.086 0.000 0.974 63 S CB -0.716 62.527 63.200 0.072 0.000 0.800 63 S HN 0.294 nan 8.310 nan 0.000 0.484 64 G N 1.833 110.687 108.800 0.090 0.000 2.421 64 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.216 64 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.216 64 G C 1.410 176.401 174.900 0.151 0.000 1.171 64 G CA 0.906 46.069 45.100 0.105 0.000 0.775 64 G HN 0.544 nan 8.290 nan 0.000 0.543 65 I N 0.255 120.919 120.570 0.156 0.000 2.142 65 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 65 I C 2.810 178.994 176.117 0.112 0.000 1.078 65 I CA 0.774 62.182 61.300 0.180 0.000 1.343 65 I CB -0.164 37.879 38.000 0.071 0.000 1.046 65 I HN 0.044 nan 8.210 nan 0.000 0.405 66 V N 0.643 120.599 119.914 0.070 0.000 2.358 66 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 66 V C 2.507 178.650 176.094 0.081 0.000 1.047 66 V CA 1.985 64.316 62.300 0.052 0.000 1.035 66 V CB -1.407 30.453 31.823 0.061 0.000 0.658 66 V HN 0.577 nan 8.190 nan 0.000 0.452 67 G N 0.832 109.687 108.800 0.092 0.000 2.433 67 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 67 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 67 G C 1.804 176.761 174.900 0.095 0.000 1.186 67 G CA 1.841 46.990 45.100 0.082 0.000 0.779 67 G HN 0.556 nan 8.290 nan 0.000 0.543 68 T N 0.188 114.821 114.554 0.133 0.000 2.720 68 T HA 0.044 4.394 4.350 -0.000 0.000 0.268 68 T C 2.598 177.407 174.700 0.182 0.000 1.037 68 T CA 1.920 64.107 62.100 0.145 0.000 1.144 68 T CB -0.566 68.403 68.868 0.168 0.000 0.864 68 T HN 0.401 nan 8.240 nan 0.000 0.444 69 A N 1.293 124.260 122.820 0.246 0.000 1.908 69 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 69 A C 2.673 180.330 177.584 0.121 0.000 1.181 69 A CA 1.813 53.973 52.037 0.206 0.000 0.627 69 A CB -1.268 17.791 19.000 0.099 0.000 0.818 69 A HN 0.420 nan 8.150 nan 0.000 0.445 70 V N -0.156 119.812 119.914 0.090 0.000 2.332 70 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 70 V C 2.800 178.933 176.094 0.065 0.000 1.055 70 V CA 2.061 64.401 62.300 0.067 0.000 1.038 70 V CB -1.425 30.428 31.823 0.050 0.000 0.651 70 V HN 0.635 nan 8.190 nan 0.000 0.450 71 G N -0.858 107.979 108.800 0.062 0.000 2.418 71 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 71 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 71 G C 1.801 176.760 174.900 0.098 0.000 1.158 71 G CA 1.412 46.544 45.100 0.054 0.000 0.771 71 G HN 0.374 nan 8.290 nan 0.000 0.545 72 M N 0.796 120.459 119.600 0.105 0.000 2.117 72 M HA 0.075 4.555 4.480 -0.000 0.000 0.262 72 M C 3.079 179.479 176.300 0.167 0.000 1.065 72 M CA 1.257 56.626 55.300 0.114 0.000 1.114 72 M CB -1.574 31.100 32.600 0.124 0.000 1.361 72 M HN 0.447 nan 8.290 nan 0.000 0.408 73 G N -0.618 108.267 108.800 0.142 0.000 2.418 73 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.217 73 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.217 73 G C 1.739 176.744 174.900 0.175 0.000 1.158 73 G CA 1.056 46.239 45.100 0.138 0.000 0.771 73 G HN 0.712 nan 8.290 nan 0.000 0.545 74 A N -0.117 122.810 122.820 0.178 0.000 1.978 74 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 74 A C 2.180 179.938 177.584 0.290 0.000 1.170 74 A CA 1.742 53.926 52.037 0.244 0.000 0.636 74 A CB -0.620 18.427 19.000 0.078 0.000 0.810 74 A HN 0.549 nan 8.150 nan 0.000 0.448 75 Y N -0.513 119.859 120.300 0.119 0.000 2.220 75 Y HA 0.201 4.751 4.550 -0.000 0.000 0.291 75 Y C 1.572 177.522 175.900 0.083 0.000 1.129 75 Y CA 1.738 59.897 58.100 0.099 0.000 1.161 75 Y CB 0.093 38.592 38.460 0.065 0.000 0.997 75 Y HN 0.441 nan 8.280 nan 0.000 0.522 76 G N -0.327 108.647 108.800 0.289 0.000 2.240 76 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.181 76 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.181 76 G C -0.352 174.664 174.900 0.192 0.000 1.028 76 G CA -0.083 45.117 45.100 0.166 0.000 0.760 76 G HN 0.239 nan 8.290 nan 0.000 0.508 77 L N -0.458 120.897 121.223 0.220 0.000 2.469 77 L HA 0.705 5.045 4.340 -0.000 0.000 0.253 77 L C 1.037 177.961 176.870 0.089 0.000 1.143 77 L CA -1.039 53.884 54.840 0.139 0.000 0.804 77 L CB 1.026 43.157 42.059 0.120 0.000 1.214 77 L HN 0.107 nan 8.230 nan 0.000 0.476 78 R N 1.264 121.796 120.500 0.054 0.000 2.494 78 R HA 0.330 4.670 4.340 -0.000 0.000 0.284 78 R C -2.624 173.678 176.300 0.003 0.000 1.525 78 R CA -1.526 54.585 56.100 0.018 0.000 1.460 78 R CB 0.842 31.137 30.300 -0.009 0.000 1.134 78 R HN 0.219 nan 8.270 nan 0.000 0.592 79 P HA 0.074 nan 4.420 nan 0.000 0.282 79 P C -0.838 176.412 177.300 -0.084 0.000 1.274 79 P CA -0.274 62.833 63.100 0.011 0.000 0.770 79 P CB 1.416 33.161 31.700 0.075 0.000 0.867 80 V N 5.498 125.335 119.914 -0.128 0.000 2.318 80 V HA 0.298 4.418 4.120 -0.000 0.000 0.271 80 V C 0.388 176.322 176.094 -0.266 0.000 1.030 80 V CA -0.478 61.710 62.300 -0.186 0.000 0.844 80 V CB 1.477 33.188 31.823 -0.186 0.000 1.015 80 V HN 0.293 nan 8.190 nan 0.000 0.460 81 V N 4.387 124.118 119.914 -0.305 0.000 2.864 81 V HA 0.595 4.715 4.120 -0.000 0.000 0.314 81 V C -0.350 175.581 176.094 -0.273 0.000 1.073 81 V CA -0.430 61.602 62.300 -0.447 0.000 0.956 81 V CB 2.302 33.751 31.823 -0.624 0.000 1.023 81 V HN 0.975 nan 8.190 nan 0.000 0.435 82 E N 3.767 123.823 120.200 -0.239 0.000 2.227 82 E HA 0.593 4.943 4.350 -0.000 0.000 0.268 82 E C -1.597 174.976 176.600 -0.045 0.000 0.907 82 E CA -0.708 55.627 56.400 -0.109 0.000 0.786 82 E CB 1.981 31.641 29.700 -0.067 0.000 1.191 82 E HN 0.614 nan 8.360 nan 0.000 0.411 83 I N 4.138 124.717 120.570 0.014 0.000 2.411 83 I HA 0.095 4.265 4.170 -0.000 0.000 0.284 83 I C 1.296 177.498 176.117 0.141 0.000 1.012 83 I CA -0.426 60.932 61.300 0.097 0.000 1.119 83 I CB 1.747 39.825 38.000 0.130 0.000 1.261 83 I HN 0.659 nan 8.210 nan 0.000 0.448 84 Q N 3.723 123.642 119.800 0.197 0.000 2.142 84 Q HA -0.171 4.169 4.340 -0.000 0.000 0.213 84 Q C -0.501 175.535 176.000 0.060 0.000 1.004 84 Q CA 2.061 57.984 55.803 0.200 0.000 0.883 84 Q CB 0.121 29.065 28.738 0.343 0.000 0.939 84 Q HN 0.465 nan 8.270 nan 0.000 0.413 85 F N -3.310 116.769 119.950 0.214 0.000 2.578 85 F HA 0.374 4.901 4.527 -0.000 0.000 0.311 85 F C 0.525 176.315 175.800 -0.016 0.000 1.094 85 F CA -0.328 57.686 58.000 0.023 0.000 0.923 85 F CB 1.228 40.072 39.000 -0.261 0.000 1.230 85 F HN -0.188 nan 8.300 nan 0.000 0.450 86 A N 0.928 123.825 122.820 0.128 0.000 2.032 86 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 86 A C 1.467 179.167 177.584 0.194 0.000 1.165 86 A CA 2.314 54.428 52.037 0.129 0.000 0.645 86 A CB -0.785 18.248 19.000 0.056 0.000 0.807 86 A HN 0.848 nan 8.150 nan 0.000 0.453 87 D N -1.702 118.703 120.400 0.009 0.000 2.350 87 D HA -0.095 4.545 4.640 -0.000 0.000 0.216 87 D C 0.554 176.859 176.300 0.008 0.000 0.968 87 D CA 0.968 54.933 54.000 -0.060 0.000 0.894 87 D CB -0.339 40.227 40.800 -0.391 0.000 0.909 87 D HN 0.775 nan 8.370 nan 0.000 0.520 88 Y N -0.390 120.063 120.300 0.256 0.000 2.681 88 Y HA 0.175 4.725 4.550 -0.000 0.000 0.267 88 Y C 1.061 177.048 175.900 0.146 0.000 1.166 88 Y CA -0.970 57.243 58.100 0.188 0.000 1.209 88 Y CB -0.223 38.332 38.460 0.159 0.000 1.161 88 Y HN -0.021 nan 8.280 nan 0.000 0.534 89 F N -2.181 117.845 119.950 0.126 0.000 2.456 89 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 89 F C 1.229 177.060 175.800 0.052 0.000 1.104 89 F CA 0.497 58.529 58.000 0.055 0.000 1.435 89 F CB -1.005 38.016 39.000 0.034 0.000 1.078 89 F HN -0.013 nan 8.300 nan 0.000 0.546 90 Y N 1.592 121.353 120.300 -0.900 0.000 2.139 90 Y HA -0.135 4.415 4.550 -0.000 0.000 0.282 90 Y C -0.378 175.356 175.900 -0.277 0.000 1.179 90 Y CA 1.807 59.393 58.100 -0.857 0.000 1.161 90 Y CB -2.457 35.639 38.460 -0.607 0.000 0.970 90 Y HN 0.157 nan 8.280 nan 0.000 0.511 91 P HA -0.118 nan 4.420 nan 0.000 0.228 91 P C 0.737 178.081 177.300 0.074 0.000 1.151 91 P CA 1.821 64.953 63.100 0.054 0.000 0.770 91 P CB -0.012 31.726 31.700 0.064 0.000 0.786 92 A N -1.530 121.354 122.820 0.107 0.000 2.348 92 A HA 0.143 4.463 4.320 -0.000 0.000 0.224 92 A C 2.208 179.904 177.584 0.188 0.000 1.227 92 A CA 0.297 52.424 52.037 0.149 0.000 0.885 92 A CB -0.947 18.161 19.000 0.181 0.000 0.933 92 A HN 0.039 nan 8.150 nan 0.000 0.506 93 S N 0.461 116.267 115.700 0.177 0.000 2.381 93 S HA -0.274 4.196 4.470 -0.000 0.000 0.230 93 S C 1.869 176.560 174.600 0.152 0.000 1.052 93 S CA 2.278 60.603 58.200 0.208 0.000 1.068 93 S CB -0.320 62.960 63.200 0.133 0.000 0.918 93 S HN 0.691 nan 8.310 nan 0.000 0.448 94 D N 0.169 120.633 120.400 0.106 0.000 2.084 94 D HA -0.090 4.550 4.640 -0.000 0.000 0.194 94 D C 2.308 178.659 176.300 0.084 0.000 0.990 94 D CA 1.196 55.245 54.000 0.081 0.000 0.826 94 D CB -0.277 40.560 40.800 0.061 0.000 0.971 94 D HN 0.326 nan 8.370 nan 0.000 0.453 95 Q N -0.170 119.684 119.800 0.089 0.000 2.135 95 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 95 Q C 2.578 178.634 176.000 0.093 0.000 0.981 95 Q CA 0.709 56.562 55.803 0.083 0.000 0.856 95 Q CB -0.115 28.672 28.738 0.082 0.000 0.902 95 Q HN 0.490 nan 8.270 nan 0.000 0.425 96 I N -0.461 120.186 120.570 0.128 0.000 2.162 96 I HA -0.220 3.950 4.170 -0.000 0.000 0.238 96 I C 2.275 178.465 176.117 0.122 0.000 1.076 96 I CA 0.847 62.233 61.300 0.143 0.000 1.353 96 I CB -0.219 37.928 38.000 0.244 0.000 1.063 96 I HN -0.047 nan 8.210 nan 0.000 0.408 97 V N -0.417 119.569 119.914 0.120 0.000 2.346 97 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 97 V C 2.352 178.485 176.094 0.066 0.000 1.037 97 V CA 1.822 64.173 62.300 0.086 0.000 1.029 97 V CB -0.403 31.463 31.823 0.071 0.000 0.663 97 V HN 0.308 nan 8.190 nan 0.000 0.454 98 S N -0.775 114.964 115.700 0.065 0.000 2.461 98 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 98 S C 1.676 176.310 174.600 0.057 0.000 1.005 98 S CA 0.943 59.176 58.200 0.056 0.000 0.942 98 S CB -0.021 63.209 63.200 0.050 0.000 0.776 98 S HN 0.626 nan 8.310 nan 0.000 0.514 99 E N -0.251 119.985 120.200 0.061 0.000 2.756 99 E HA 0.160 4.510 4.350 -0.000 0.000 0.192 99 E C 2.066 178.703 176.600 0.061 0.000 1.022 99 E CA 0.272 56.705 56.400 0.056 0.000 1.224 99 E CB -1.038 28.689 29.700 0.046 0.000 1.252 99 E HN 0.318 nan 8.360 nan 0.000 0.494 100 M N 1.397 121.034 119.600 0.061 0.000 2.106 100 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 100 M C 2.337 178.673 176.300 0.060 0.000 1.068 100 M CA 2.020 57.354 55.300 0.057 0.000 1.100 100 M CB -1.135 31.494 32.600 0.048 0.000 1.351 100 M HN 0.362 nan 8.290 nan 0.000 0.404 101 A N -0.949 121.909 122.820 0.063 0.000 2.014 101 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 101 A C 2.072 179.697 177.584 0.068 0.000 1.163 101 A CA 1.586 53.659 52.037 0.059 0.000 0.652 101 A CB -0.403 18.630 19.000 0.055 0.000 0.808 101 A HN 0.751 nan 8.150 nan 0.000 0.449 102 R N -0.874 119.675 120.500 0.082 0.000 2.397 102 R HA 0.345 4.685 4.340 -0.000 0.000 0.241 102 R C 1.490 177.881 176.300 0.152 0.000 0.914 102 R CA -0.318 55.852 56.100 0.116 0.000 1.071 102 R CB 0.032 30.393 30.300 0.102 0.000 1.116 102 R HN 0.333 nan 8.270 nan 0.000 0.524 103 L N 1.283 122.579 121.223 0.122 0.000 2.012 103 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 103 L C 2.404 179.369 176.870 0.159 0.000 1.073 103 L CA 1.918 56.835 54.840 0.128 0.000 0.748 103 L CB -0.342 41.782 42.059 0.109 0.000 0.891 103 L HN 0.244 nan 8.230 nan 0.000 0.431 104 R N -1.455 119.136 120.500 0.151 0.000 2.066 104 R HA -0.243 4.097 4.340 -0.000 0.000 0.232 104 R C 2.399 178.790 176.300 0.151 0.000 1.131 104 R CA 1.730 57.913 56.100 0.138 0.000 0.955 104 R CB -0.547 29.823 30.300 0.118 0.000 0.851 104 R HN 0.272 nan 8.270 nan 0.000 0.432 105 Y N 1.948 122.282 120.300 0.056 0.000 2.097 105 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 105 Y C 2.420 178.351 175.900 0.051 0.000 1.152 105 Y CA 2.413 60.542 58.100 0.048 0.000 1.136 105 Y CB -0.151 38.337 38.460 0.046 0.000 0.975 105 Y HN 0.100 nan 8.280 nan 0.000 0.498 106 R N -0.263 120.337 120.500 0.167 0.000 2.276 106 R HA -0.006 4.334 4.340 -0.000 0.000 0.203 106 R C 1.525 177.850 176.300 0.042 0.000 1.017 106 R CA 1.282 57.432 56.100 0.083 0.000 1.010 106 R CB -0.656 29.732 30.300 0.148 0.000 0.900 106 R HN 0.387 nan 8.270 nan 0.000 0.469 107 S N -0.385 115.357 115.700 0.071 0.000 2.557 107 S HA 0.371 4.841 4.470 -0.000 0.000 0.223 107 S C 0.915 175.519 174.600 0.007 0.000 0.969 107 S CA -0.044 58.210 58.200 0.090 0.000 0.927 107 S CB 0.780 64.118 63.200 0.230 0.000 0.806 107 S HN 0.504 nan 8.310 nan 0.000 0.489 108 A N 0.363 123.152 122.820 -0.051 0.000 2.745 108 A HA 0.106 4.426 4.320 -0.000 0.000 0.296 108 A C 1.676 179.232 177.584 -0.048 0.000 1.500 108 A CA 0.843 52.832 52.037 -0.080 0.000 0.766 108 A CB -2.265 16.683 19.000 -0.085 0.000 1.030 108 A HN 2.240 nan 8.150 nan 0.000 0.489 109 G N -2.119 106.672 108.800 -0.015 0.000 2.176 109 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.253 109 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.253 109 G C 0.679 175.544 174.900 -0.058 0.000 0.979 109 G CA 1.228 46.320 45.100 -0.014 0.000 0.641 109 G HN 0.878 nan 8.290 nan 0.000 0.530 110 E N -0.886 119.252 120.200 -0.103 0.000 2.058 110 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 110 E C 0.320 176.639 176.600 -0.469 0.000 0.997 110 E CA 0.926 57.142 56.400 -0.308 0.000 0.801 110 E CB 0.013 29.486 29.700 -0.378 0.000 0.746 110 E HN 0.570 nan 8.360 nan 0.000 0.450 111 F N 0.016 119.970 119.950 0.008 0.000 2.508 111 F HA 0.422 4.949 4.527 -0.000 0.000 0.325 111 F C 0.266 176.081 175.800 0.026 0.000 1.090 111 F CA -1.195 56.816 58.000 0.017 0.000 0.945 111 F CB 1.370 40.385 39.000 0.025 0.000 1.156 111 F HN -0.154 nan 8.300 nan 0.000 0.463 112 I N 0.014 120.712 120.570 0.213 0.000 3.002 112 I HA 0.957 5.127 4.170 -0.000 0.000 0.310 112 I C -0.903 175.287 176.117 0.123 0.000 1.087 112 I CA -1.216 60.164 61.300 0.133 0.000 1.017 112 I CB 2.382 40.429 38.000 0.078 0.000 1.226 112 I HN 0.564 nan 8.210 nan 0.000 0.443 113 A N 3.362 126.235 122.820 0.088 0.000 2.978 113 A HA 0.592 4.912 4.320 -0.000 0.000 0.341 113 A C -2.528 175.082 177.584 0.043 0.000 1.105 113 A CA -1.274 50.804 52.037 0.069 0.000 0.819 113 A CB -0.191 18.847 19.000 0.064 0.000 1.080 113 A HN 0.568 nan 8.150 nan 0.000 0.476 114 P HA 0.212 nan 4.420 nan 0.000 0.226 114 P C -0.438 176.861 177.300 -0.003 0.000 1.783 114 P CA 0.349 63.457 63.100 0.013 0.000 0.980 114 P CB -0.293 31.416 31.700 0.015 0.000 1.967 115 L N 0.457 121.673 121.223 -0.011 0.000 2.352 115 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 115 L C 0.505 177.335 176.870 -0.068 0.000 1.034 115 L CA -0.552 54.267 54.840 -0.036 0.000 0.806 115 L CB 1.400 43.442 42.059 -0.027 0.000 1.244 115 L HN -0.082 nan 8.230 nan 0.000 0.447 116 T N 2.702 117.196 114.554 -0.100 0.000 2.841 116 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 116 T C -0.399 174.219 174.700 -0.138 0.000 0.991 116 T CA -0.441 61.586 62.100 -0.123 0.000 0.966 116 T CB 1.394 70.162 68.868 -0.167 0.000 0.962 116 T HN 0.299 nan 8.240 nan 0.000 0.438 117 L N 3.892 125.036 121.223 -0.131 0.000 2.295 117 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 117 L C 0.448 177.258 176.870 -0.100 0.000 1.018 117 L CA -0.816 53.939 54.840 -0.141 0.000 0.841 117 L CB 0.928 42.882 42.059 -0.176 0.000 1.218 117 L HN 0.399 nan 8.230 nan 0.000 0.424 118 R N 3.350 123.810 120.500 -0.067 0.000 2.298 118 R HA 0.538 4.878 4.340 -0.000 0.000 0.310 118 R C -0.682 175.603 176.300 -0.024 0.000 1.068 118 R CA -0.299 55.812 56.100 0.019 0.000 0.957 118 R CB 1.381 31.694 30.300 0.021 0.000 1.003 118 R HN 0.349 nan 8.270 nan 0.000 0.454 119 M N 4.070 123.641 119.600 -0.050 0.000 2.106 119 M HA 0.292 4.772 4.480 -0.000 0.000 0.288 119 M C -2.465 173.776 176.300 -0.098 0.000 0.941 119 M CA -2.614 52.649 55.300 -0.063 0.000 0.934 119 M CB 1.575 34.120 32.600 -0.091 0.000 1.551 119 M HN 0.420 nan 8.290 nan 0.000 0.437 120 P HA 0.230 nan 4.420 nan 0.000 0.263 120 P C -0.377 176.798 177.300 -0.209 0.000 1.195 120 P CA -0.087 62.858 63.100 -0.257 0.000 0.762 120 P CB 0.233 31.705 31.700 -0.380 0.000 0.799 121 C N 1.367 120.529 119.300 -0.229 0.000 3.235 121 C HA 0.994 5.454 4.460 -0.000 0.000 0.351 121 C C 0.491 175.400 174.990 -0.134 0.000 1.520 121 C CA 0.017 58.961 59.018 -0.124 0.000 1.474 121 C CB 0.829 28.513 27.740 -0.092 0.000 2.019 121 C HN 0.928 nan 8.230 nan 0.000 0.446 122 G N -0.621 108.139 108.800 -0.067 0.000 2.733 122 G HA2 0.471 4.431 3.960 -0.000 0.000 0.686 122 G HA3 0.471 4.431 3.960 -0.000 0.000 0.686 122 G C -0.165 174.647 174.900 -0.146 0.000 1.373 122 G CA -0.035 45.039 45.100 -0.042 0.000 0.838 122 G HN 2.239 nan 8.290 nan 0.000 0.588 123 G N -1.505 107.218 108.800 -0.128 0.000 3.008 123 G HA2 0.837 4.797 3.960 -0.000 0.000 0.181 123 G HA3 0.837 4.797 3.960 -0.000 0.000 0.181 123 G C 1.370 176.100 174.900 -0.282 0.000 1.309 123 G CA 0.895 45.782 45.100 -0.355 0.000 1.009 123 G HN 2.637 nan 8.290 nan 0.000 0.584 124 G N -1.192 107.397 108.800 -0.352 0.000 2.137 124 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.237 124 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.237 124 G C 0.535 175.042 174.900 -0.655 0.000 1.002 124 G CA 0.911 45.576 45.100 -0.725 0.000 0.702 124 G HN 1.680 nan 8.290 nan 0.000 0.515 125 I N -5.524 114.753 120.570 -0.489 0.000 3.817 125 I HA 0.503 4.673 4.170 -0.000 0.000 0.322 125 I C 0.867 176.900 176.117 -0.140 0.000 1.512 125 I CA -0.966 60.159 61.300 -0.291 0.000 1.066 125 I CB -0.071 37.853 38.000 -0.127 0.000 1.336 125 I HN 0.153 nan 8.210 nan 0.000 0.539 126 Y N 1.287 121.432 120.300 -0.257 0.000 3.589 126 Y HA -0.274 4.276 4.550 -0.000 0.000 0.218 126 Y C 1.919 177.789 175.900 -0.050 0.000 1.234 126 Y CA 0.226 58.179 58.100 -0.245 0.000 1.576 126 Y CB -1.613 36.695 38.460 -0.255 0.000 1.487 126 Y HN 0.549 nan 8.280 nan 0.000 0.616 127 G N -0.212 108.610 108.800 0.037 0.000 2.403 127 G HA2 0.285 4.245 3.960 -0.000 0.000 0.216 127 G HA3 0.285 4.245 3.960 -0.000 0.000 0.216 127 G C 1.226 176.152 174.900 0.044 0.000 1.154 127 G CA 0.722 45.848 45.100 0.043 0.000 0.784 127 G HN 1.332 nan 8.290 nan 0.000 0.538 128 G N -0.605 108.268 108.800 0.122 0.000 2.508 128 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 128 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 128 G C 0.643 175.612 174.900 0.114 0.000 1.287 128 G CA 0.449 45.643 45.100 0.157 0.000 0.916 128 G HN 0.326 nan 8.290 nan 0.000 0.574 129 Q N -0.498 119.350 119.800 0.081 0.000 2.137 129 Q HA 0.097 4.437 4.340 -0.000 0.000 0.198 129 Q C 2.373 178.394 176.000 0.034 0.000 0.960 129 Q CA 1.885 57.729 55.803 0.068 0.000 0.847 129 Q CB 0.036 28.802 28.738 0.047 0.000 0.915 129 Q HN 0.889 nan 8.270 nan 0.000 0.448 130 T N -3.884 110.694 114.554 0.039 0.000 3.228 130 T HA 0.173 4.523 4.350 -0.000 0.000 0.278 130 T C 0.415 174.980 174.700 -0.226 0.000 1.014 130 T CA -0.393 61.676 62.100 -0.051 0.000 0.904 130 T CB 0.095 69.016 68.868 0.089 0.000 1.110 130 T HN 0.229 nan 8.240 nan 0.000 0.541 131 H N 0.565 119.454 119.070 -0.302 0.000 3.078 131 H HA 0.296 4.852 4.556 -0.000 0.000 0.263 131 H C 0.690 175.953 175.328 -0.108 0.000 1.177 131 H CA 0.248 56.077 56.048 -0.365 0.000 1.128 131 H CB 1.051 30.631 29.762 -0.305 0.000 1.623 131 H HN 0.550 nan 8.280 nan 0.000 0.592 132 S N -0.489 115.134 115.700 -0.127 0.000 2.976 132 S HA 0.003 4.473 4.470 -0.000 0.000 0.252 132 S C 0.332 174.725 174.600 -0.346 0.000 0.940 132 S CA -0.646 57.355 58.200 -0.330 0.000 1.283 132 S CB 0.300 63.047 63.200 -0.755 0.000 1.194 132 S HN 0.327 nan 8.310 nan 0.000 0.662 133 Q N 1.058 120.789 119.800 -0.115 0.000 2.382 133 Q HA 0.652 4.992 4.340 -0.000 0.000 0.229 133 Q C -0.863 175.179 176.000 0.069 0.000 1.006 133 Q CA -0.419 55.403 55.803 0.031 0.000 0.916 133 Q CB 0.468 29.285 28.738 0.130 0.000 1.235 133 Q HN 0.095 nan 8.270 nan 0.000 0.512 134 S N 2.072 117.851 115.700 0.131 0.000 2.406 134 S HA 0.263 4.733 4.470 -0.000 0.000 0.224 134 S C -2.209 172.449 174.600 0.097 0.000 1.426 134 S CA -0.973 57.294 58.200 0.112 0.000 1.179 134 S CB 1.120 64.412 63.200 0.154 0.000 1.042 134 S HN 0.525 nan 8.310 nan 0.000 0.479 135 P HA 0.097 nan 4.420 nan 0.000 0.249 135 P C 1.170 178.438 177.300 -0.053 0.000 1.544 135 P CA -0.107 63.010 63.100 0.028 0.000 0.932 135 P CB 0.221 31.945 31.700 0.040 0.000 1.524 136 E N 0.911 121.100 120.200 -0.018 0.000 2.160 136 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 136 E C 1.489 178.013 176.600 -0.127 0.000 0.991 136 E CA 1.607 57.968 56.400 -0.065 0.000 0.810 136 E CB -1.046 28.513 29.700 -0.234 0.000 0.742 136 E HN 0.212 nan 8.360 nan 0.000 0.466 137 A N 0.785 123.541 122.820 -0.106 0.000 2.067 137 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 137 A C 2.423 179.918 177.584 -0.148 0.000 1.158 137 A CA 1.395 53.387 52.037 -0.074 0.000 0.661 137 A CB -0.532 18.465 19.000 -0.005 0.000 0.801 137 A HN 0.253 nan 8.150 nan 0.000 0.452 138 M N -1.636 117.792 119.600 -0.287 0.000 2.476 138 M HA 0.105 4.585 4.480 -0.000 0.000 0.262 138 M C 1.593 177.467 176.300 -0.710 0.000 1.079 138 M CA 0.999 56.006 55.300 -0.487 0.000 1.104 138 M CB -1.405 30.844 32.600 -0.584 0.000 1.409 138 M HN 0.711 nan 8.290 nan 0.000 0.467 139 F N -0.995 118.826 119.950 -0.214 0.000 2.557 139 F HA 0.051 4.578 4.527 -0.000 0.000 0.278 139 F C 2.622 178.323 175.800 -0.166 0.000 1.051 139 F CA 0.944 58.817 58.000 -0.211 0.000 1.357 139 F CB -1.075 37.754 39.000 -0.285 0.000 1.104 139 F HN 0.271 nan 8.300 nan 0.000 0.654 140 T N -0.636 113.898 114.554 -0.034 0.000 2.822 140 T HA -0.299 4.051 4.350 -0.000 0.000 0.270 140 T C 1.628 176.228 174.700 -0.167 0.000 1.064 140 T CA 1.627 63.668 62.100 -0.099 0.000 1.131 140 T CB -0.795 67.957 68.868 -0.193 0.000 0.858 140 T HN 0.552 nan 8.240 nan 0.000 0.483 141 Q N 1.049 120.768 119.800 -0.135 0.000 2.482 141 Q HA 0.157 4.497 4.340 -0.000 0.000 0.209 141 Q C 0.082 176.023 176.000 -0.097 0.000 0.961 141 Q CA 0.164 55.879 55.803 -0.148 0.000 0.945 141 Q CB -0.177 28.493 28.738 -0.113 0.000 1.012 141 Q HN 0.422 nan 8.270 nan 0.000 0.515 142 V N 2.343 122.229 119.914 -0.045 0.000 2.368 142 V HA 0.113 4.233 4.120 -0.000 0.000 0.266 142 V C 0.096 176.199 176.094 0.015 0.000 1.045 142 V CA -1.087 61.209 62.300 -0.005 0.000 0.899 142 V CB 0.490 32.337 31.823 0.039 0.000 1.006 142 V HN 0.355 nan 8.190 nan 0.000 0.470 143 C N 4.872 124.167 119.300 -0.008 0.000 2.590 143 C HA 0.468 4.928 4.460 -0.000 0.000 0.411 143 C C 1.664 176.661 174.990 0.012 0.000 1.420 143 C CA 0.936 59.957 59.018 0.004 0.000 1.643 143 C CB -0.955 26.751 27.740 -0.057 0.000 2.528 143 C HN 1.316 nan 8.230 nan 0.000 0.606 144 G N 2.694 111.524 108.800 0.049 0.000 2.218 144 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 144 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 144 G C -0.099 174.835 174.900 0.058 0.000 0.994 144 G CA -0.252 44.877 45.100 0.048 0.000 0.637 144 G HN 0.616 nan 8.290 nan 0.000 0.505 145 L N -0.101 121.165 121.223 0.073 0.000 2.358 145 L HA 0.813 5.153 4.340 -0.000 0.000 0.268 145 L C 0.665 177.576 176.870 0.067 0.000 1.032 145 L CA -1.133 53.740 54.840 0.056 0.000 0.805 145 L CB 1.769 43.865 42.059 0.062 0.000 1.253 145 L HN 0.191 nan 8.230 nan 0.000 0.452 146 R N 0.299 120.803 120.500 0.008 0.000 2.502 146 R HA 0.398 4.738 4.340 -0.000 0.000 0.298 146 R C -1.566 174.688 176.300 -0.076 0.000 1.018 146 R CA -0.342 55.749 56.100 -0.016 0.000 0.899 146 R CB 1.641 31.919 30.300 -0.036 0.000 1.181 146 R HN 0.630 nan 8.270 nan 0.000 0.444 147 T N 3.439 117.936 114.554 -0.096 0.000 2.795 147 T HA 0.480 4.830 4.350 -0.000 0.000 0.282 147 T C -0.679 173.877 174.700 -0.240 0.000 0.980 147 T CA -0.484 61.494 62.100 -0.204 0.000 1.012 147 T CB 1.620 70.341 68.868 -0.246 0.000 0.936 147 T HN 0.238 nan 8.240 nan 0.000 0.457 148 V N 2.954 122.699 119.914 -0.281 0.000 2.841 148 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 148 V C -0.531 175.254 176.094 -0.514 0.000 1.090 148 V CA -0.881 61.233 62.300 -0.310 0.000 0.930 148 V CB 2.182 33.913 31.823 -0.154 0.000 1.014 148 V HN 0.823 nan 8.190 nan 0.000 0.425 149 M N 6.684 126.019 119.600 -0.442 0.000 2.182 149 M HA 0.623 5.103 4.480 -0.000 0.000 0.266 149 M C -3.034 173.106 176.300 -0.266 0.000 0.989 149 M CA -1.486 53.554 55.300 -0.434 0.000 1.003 149 M CB 1.913 34.349 32.600 -0.275 0.000 1.812 149 M HN 0.708 nan 8.290 nan 0.000 0.472 150 P HA 0.515 nan 4.420 nan 0.000 0.276 150 P C -0.003 177.297 177.300 -0.001 0.000 1.261 150 P CA -0.076 62.963 63.100 -0.101 0.000 0.800 150 P CB 1.140 32.804 31.700 -0.059 0.000 1.066 151 S N -1.877 113.864 115.700 0.069 0.000 2.787 151 S HA 0.194 4.664 4.470 -0.000 0.000 0.255 151 S C 0.113 174.899 174.600 0.311 0.000 1.051 151 S CA -0.342 57.985 58.200 0.212 0.000 1.124 151 S CB -0.755 62.571 63.200 0.209 0.000 1.104 151 S HN 0.693 nan 8.310 nan 0.000 0.623 152 N N -0.614 118.134 118.700 0.080 0.000 2.710 152 N HA 0.527 5.267 4.740 -0.000 0.000 0.257 152 N C -3.098 172.242 175.510 -0.283 0.000 1.327 152 N CA -1.637 51.310 53.050 -0.171 0.000 0.861 152 N CB 0.757 39.253 38.487 0.014 0.000 1.532 152 N HN -0.314 nan 8.380 nan 0.000 0.499 153 P HA -0.211 nan 4.420 nan 0.000 0.216 153 P C 0.816 178.076 177.300 -0.067 0.000 1.157 153 P CA 1.384 64.283 63.100 -0.335 0.000 0.880 153 P CB -0.108 31.331 31.700 -0.435 0.000 0.791 154 Y N 1.026 121.281 120.300 -0.075 0.000 2.070 154 Y HA -0.252 4.298 4.550 -0.000 0.000 0.280 154 Y C 1.849 177.806 175.900 0.094 0.000 1.148 154 Y CA 2.019 60.156 58.100 0.062 0.000 1.125 154 Y CB -0.945 37.555 38.460 0.066 0.000 0.975 154 Y HN -0.099 nan 8.280 nan 0.000 0.492 155 D N -0.077 120.385 120.400 0.102 0.000 2.178 155 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 155 D C 2.243 178.527 176.300 -0.028 0.000 0.974 155 D CA 1.270 55.280 54.000 0.016 0.000 0.841 155 D CB -0.621 40.200 40.800 0.035 0.000 0.953 155 D HN 0.488 nan 8.370 nan 0.000 0.478 156 A N 0.884 123.696 122.820 -0.014 0.000 1.883 156 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 156 A C 2.090 179.660 177.584 -0.024 0.000 1.186 156 A CA 1.946 54.013 52.037 0.049 0.000 0.624 156 A CB -0.485 18.527 19.000 0.020 0.000 0.822 156 A HN 0.204 nan 8.150 nan 0.000 0.444 157 K N -0.856 119.459 120.400 -0.141 0.000 2.025 157 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 157 K C 2.078 178.371 176.600 -0.511 0.000 1.049 157 K CA 1.380 57.500 56.287 -0.279 0.000 0.933 157 K CB -0.581 31.790 32.500 -0.215 0.000 0.714 157 K HN 0.343 nan 8.250 nan 0.000 0.438 158 G N 1.318 109.729 108.800 -0.649 0.000 2.421 158 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 158 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 158 G C 1.496 176.162 174.900 -0.389 0.000 1.171 158 G CA 0.815 45.451 45.100 -0.773 0.000 0.775 158 G HN 0.230 nan 8.290 nan 0.000 0.543 159 L N -0.376 120.739 121.223 -0.180 0.000 2.131 159 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 159 L C 2.671 179.517 176.870 -0.039 0.000 1.092 159 L CA 0.291 55.122 54.840 -0.016 0.000 0.759 159 L CB -0.305 41.834 42.059 0.133 0.000 0.903 159 L HN 0.210 nan 8.230 nan 0.000 0.435 160 L N -0.016 121.062 121.223 -0.243 0.000 2.027 160 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 160 L C 2.317 178.915 176.870 -0.453 0.000 1.074 160 L CA 1.665 56.090 54.840 -0.691 0.000 0.745 160 L CB -0.275 41.303 42.059 -0.802 0.000 0.898 160 L HN 0.063 nan 8.230 nan 0.000 0.433 161 I N -0.379 119.966 120.570 -0.376 0.000 2.163 161 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 161 I C 2.612 178.608 176.117 -0.201 0.000 1.085 161 I CA 1.312 62.442 61.300 -0.283 0.000 1.347 161 I CB -0.750 37.033 38.000 -0.361 0.000 1.044 161 I HN 0.369 nan 8.210 nan 0.000 0.408 162 A N 0.180 122.870 122.820 -0.216 0.000 1.917 162 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 162 A C 2.494 180.015 177.584 -0.104 0.000 1.182 162 A CA 2.465 54.423 52.037 -0.131 0.000 0.633 162 A CB -0.826 18.104 19.000 -0.118 0.000 0.819 162 A HN 0.416 nan 8.150 nan 0.000 0.448 163 S N -0.313 115.308 115.700 -0.132 0.000 2.356 163 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 163 S C 1.805 176.327 174.600 -0.130 0.000 1.032 163 S CA 1.476 59.610 58.200 -0.110 0.000 1.005 163 S CB -0.497 62.635 63.200 -0.114 0.000 0.867 163 S HN 0.544 nan 8.310 nan 0.000 0.449 164 I N 1.511 121.973 120.570 -0.180 0.000 2.286 164 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 164 I C 2.431 178.495 176.117 -0.089 0.000 1.115 164 I CA 1.260 62.471 61.300 -0.148 0.000 1.392 164 I CB -0.349 37.546 38.000 -0.174 0.000 1.065 164 I HN 0.327 nan 8.210 nan 0.000 0.418 165 E N -0.153 120.005 120.200 -0.070 0.000 2.208 165 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 165 E C 1.089 177.671 176.600 -0.031 0.000 0.988 165 E CA 0.183 56.562 56.400 -0.036 0.000 0.828 165 E CB -0.001 29.698 29.700 -0.002 0.000 0.763 165 E HN 0.456 nan 8.360 nan 0.000 0.478 166 C N 2.230 121.506 119.300 -0.039 0.000 2.611 166 C HA -0.051 4.409 4.460 -0.000 0.000 0.416 166 C C 1.290 176.267 174.990 -0.023 0.000 1.366 166 C CA -0.306 58.694 59.018 -0.030 0.000 1.761 166 C CB -0.074 27.644 27.740 -0.035 0.000 2.619 166 C HN 0.320 nan 8.230 nan 0.000 0.606 167 D N 1.773 122.166 120.400 -0.012 0.000 2.349 167 D HA 0.093 4.733 4.640 -0.000 0.000 0.215 167 D C 0.313 176.617 176.300 0.006 0.000 1.016 167 D CA 0.807 54.806 54.000 -0.001 0.000 0.870 167 D CB 0.042 40.844 40.800 0.004 0.000 0.917 167 D HN 0.684 nan 8.370 nan 0.000 0.524 168 D N 0.917 121.316 120.400 -0.000 0.000 2.283 168 D HA 0.216 4.856 4.640 -0.000 0.000 0.248 168 D C -2.345 173.952 176.300 -0.006 0.000 1.072 168 D CA -1.690 52.314 54.000 0.006 0.000 0.929 168 D CB 0.881 41.682 40.800 0.002 0.000 1.182 168 D HN -0.079 nan 8.370 nan 0.000 0.433 169 P HA 0.070 nan 4.420 nan 0.000 0.271 169 P C -0.627 176.649 177.300 -0.041 0.000 1.220 169 P CA -0.148 62.941 63.100 -0.018 0.000 0.768 169 P CB 0.646 32.344 31.700 -0.003 0.000 0.848 170 V N 5.557 125.434 119.914 -0.062 0.000 2.409 170 V HA 0.263 4.383 4.120 -0.000 0.000 0.291 170 V C 0.240 176.261 176.094 -0.120 0.000 1.020 170 V CA -0.669 61.588 62.300 -0.071 0.000 0.848 170 V CB 1.563 33.366 31.823 -0.033 0.000 0.990 170 V HN 0.386 nan 8.190 nan 0.000 0.430 171 I N 5.207 125.652 120.570 -0.209 0.000 2.308 171 I HA 0.230 4.400 4.170 -0.000 0.000 0.293 171 I C -0.291 175.683 176.117 -0.239 0.000 1.078 171 I CA 0.103 61.182 61.300 -0.367 0.000 1.292 171 I CB 0.105 37.660 38.000 -0.742 0.000 1.423 171 I HN 0.517 nan 8.210 nan 0.000 0.493 172 F N 7.823 127.592 119.950 -0.301 0.000 2.303 172 F HA 0.414 4.941 4.527 -0.000 0.000 0.368 172 F C -0.104 175.561 175.800 -0.226 0.000 1.105 172 F CA -0.527 57.333 58.000 -0.233 0.000 1.153 172 F CB 0.527 39.416 39.000 -0.185 0.000 1.362 172 F HN 0.248 nan 8.300 nan 0.000 0.511 173 L N 5.744 126.659 121.223 -0.514 0.000 2.290 173 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 173 L C -0.359 176.255 176.870 -0.427 0.000 1.078 173 L CA -0.233 54.376 54.840 -0.386 0.000 0.815 173 L CB 0.982 42.845 42.059 -0.326 0.000 1.162 173 L HN 0.501 nan 8.230 nan 0.000 0.435 174 E N 4.918 124.956 120.200 -0.270 0.000 2.165 174 E HA 0.305 4.655 4.350 -0.000 0.000 0.266 174 E C -2.444 173.944 176.600 -0.353 0.000 0.889 174 E CA -2.001 54.249 56.400 -0.249 0.000 0.756 174 E CB 1.612 31.273 29.700 -0.065 0.000 1.131 174 E HN 0.283 nan 8.360 nan 0.000 0.411 175 P HA -0.003 nan 4.420 nan 0.000 0.279 175 P C 0.202 177.155 177.300 -0.578 0.000 1.318 175 P CA -0.172 62.748 63.100 -0.299 0.000 0.819 175 P CB 0.387 32.032 31.700 -0.093 0.000 0.927 176 K N 3.647 123.571 120.400 -0.793 0.000 2.280 176 K HA -0.172 4.148 4.320 -0.000 0.000 0.202 176 K C 1.687 177.977 176.600 -0.517 0.000 1.047 176 K CA 0.788 56.379 56.287 -1.159 0.000 0.942 176 K CB -0.196 31.732 32.500 -0.954 0.000 0.739 176 K HN -0.004 nan 8.250 nan 0.000 0.457 177 R N 1.683 121.978 120.500 -0.342 0.000 2.120 177 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 177 R C 1.628 177.840 176.300 -0.148 0.000 1.123 177 R CA 1.282 57.215 56.100 -0.278 0.000 0.975 177 R CB -0.377 29.747 30.300 -0.294 0.000 0.866 177 R HN 0.388 nan 8.270 nan 0.000 0.446 178 L N -0.602 120.584 121.223 -0.061 0.000 2.628 178 L HA 0.120 4.460 4.340 -0.000 0.000 0.229 178 L C 1.270 178.365 176.870 0.376 0.000 1.137 178 L CA -0.151 54.785 54.840 0.160 0.000 0.909 178 L CB -0.281 41.933 42.059 0.258 0.000 1.137 178 L HN 0.210 nan 8.230 nan 0.000 0.470 179 Y N 0.909 121.275 120.300 0.112 0.000 2.128 179 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 179 Y C 2.300 178.370 175.900 0.284 0.000 1.154 179 Y CA 0.947 59.117 58.100 0.116 0.000 1.149 179 Y CB 0.227 38.660 38.460 -0.046 0.000 0.976 179 Y HN 0.373 nan 8.280 nan 0.000 0.505 180 N N -0.976 117.947 118.700 0.372 0.000 2.388 180 N HA 0.133 4.873 4.740 -0.000 0.000 0.176 180 N C 0.433 175.969 175.510 0.044 0.000 1.062 180 N CA 0.904 54.113 53.050 0.265 0.000 0.895 180 N CB 1.264 39.839 38.487 0.147 0.000 1.018 180 N HN 0.273 nan 8.380 nan 0.000 0.456 181 G N 0.786 109.388 108.800 -0.331 0.000 2.466 181 G HA2 0.295 4.255 3.960 -0.000 0.000 0.291 181 G HA3 0.295 4.255 3.960 -0.000 0.000 0.291 181 G C -3.215 170.990 174.900 -1.159 0.000 1.460 181 G CA -0.713 43.613 45.100 -1.289 0.000 0.791 181 G HN -0.251 nan 8.290 nan 0.000 0.505 182 P HA 0.462 nan 4.420 nan 0.000 0.272 182 P C -1.289 175.652 177.300 -0.599 0.000 1.230 182 P CA -0.106 62.220 63.100 -1.291 0.000 0.788 182 P CB 1.031 31.693 31.700 -1.730 0.000 0.949 183 F N 1.722 121.343 119.950 -0.548 0.000 2.607 183 F HA 0.216 4.743 4.527 -0.000 0.000 0.322 183 F C -0.039 175.726 175.800 -0.058 0.000 1.176 183 F CA -0.695 57.165 58.000 -0.234 0.000 0.977 183 F CB 1.335 40.249 39.000 -0.143 0.000 1.242 183 F HN 0.172 nan 8.300 nan 0.000 0.465 184 D N 2.128 122.166 120.400 -0.602 0.000 2.367 184 D HA 0.295 4.935 4.640 -0.000 0.000 0.207 184 D C 1.553 177.537 176.300 -0.526 0.000 1.034 184 D CA 0.742 54.520 54.000 -0.369 0.000 0.861 184 D CB 0.581 41.230 40.800 -0.250 0.000 0.943 184 D HN 0.966 nan 8.370 nan 0.000 0.515 185 G N -0.156 108.006 108.800 -1.063 0.000 2.184 185 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.206 185 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.206 185 G C -0.370 174.192 174.900 -0.564 0.000 0.995 185 G CA -0.432 44.365 45.100 -0.505 0.000 0.651 185 G HN 0.430 nan 8.290 nan 0.000 0.511 186 H N 1.569 120.264 119.070 -0.625 0.000 2.787 186 H HA 0.327 4.883 4.556 -0.000 0.000 0.275 186 H C 1.608 176.616 175.328 -0.533 0.000 1.183 186 H CA 0.184 55.907 56.048 -0.542 0.000 1.290 186 H CB 0.239 29.771 29.762 -0.382 0.000 1.438 186 H HN 0.622 nan 8.280 nan 0.000 0.487 187 H N 0.902 119.699 119.070 -0.455 0.000 2.535 187 H HA -0.021 4.535 4.556 -0.000 0.000 0.273 187 H C 0.370 175.592 175.328 -0.177 0.000 0.983 187 H CA 0.155 55.983 56.048 -0.367 0.000 1.238 187 H CB 0.400 29.654 29.762 -0.847 0.000 1.412 187 H HN 0.414 nan 8.280 nan 0.000 0.562 188 D N 2.089 122.219 120.400 -0.451 0.000 2.097 188 D HA -0.094 4.546 4.640 -0.000 0.000 0.195 188 D C 0.775 176.995 176.300 -0.133 0.000 0.989 188 D CA 0.852 54.704 54.000 -0.247 0.000 0.827 188 D CB 0.041 40.655 40.800 -0.310 0.000 0.966 188 D HN 0.339 nan 8.370 nan 0.000 0.456 189 R N 2.298 122.708 120.500 -0.149 0.000 2.242 189 R HA 0.338 4.678 4.340 -0.000 0.000 0.334 189 R C -2.411 173.871 176.300 -0.029 0.000 1.071 189 R CA -1.778 54.269 56.100 -0.088 0.000 0.922 189 R CB -0.456 29.779 30.300 -0.107 0.000 1.023 189 R HN 0.009 nan 8.270 nan 0.000 0.458 190 P HA -0.047 nan 4.420 nan 0.000 0.265 190 P C -0.109 177.212 177.300 0.036 0.000 1.187 190 P CA -0.054 63.069 63.100 0.039 0.000 0.766 190 P CB 0.464 32.185 31.700 0.035 0.000 0.820 191 V N 2.981 122.932 119.914 0.062 0.000 2.583 191 V HA 0.203 4.323 4.120 -0.000 0.000 0.287 191 V C 0.852 176.949 176.094 0.006 0.000 1.051 191 V CA -0.118 62.206 62.300 0.041 0.000 1.010 191 V CB 0.804 32.684 31.823 0.096 0.000 0.988 191 V HN 0.687 nan 8.190 nan 0.000 0.478 192 T N 4.010 118.554 114.554 -0.017 0.000 2.922 192 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 192 T C -2.452 172.209 174.700 -0.067 0.000 1.005 192 T CA -1.761 60.344 62.100 0.008 0.000 1.061 192 T CB 1.505 70.444 68.868 0.118 0.000 1.007 192 T HN 0.461 nan 8.240 nan 0.000 0.502 193 P HA 0.221 nan 4.420 nan 0.000 0.277 193 P C -0.026 177.267 177.300 -0.012 0.000 1.276 193 P CA -0.661 62.426 63.100 -0.021 0.000 0.788 193 P CB 0.586 32.328 31.700 0.069 0.000 1.114 194 W N -0.309 121.059 121.300 0.113 0.000 2.518 194 W HA -0.120 4.540 4.660 -0.000 0.000 0.273 194 W C 2.476 179.086 176.519 0.152 0.000 1.247 194 W CA 1.425 58.849 57.345 0.132 0.000 1.288 194 W CB -0.678 28.844 29.460 0.103 0.000 1.107 194 W HN 0.309 nan 8.180 nan 0.000 0.586 195 S N 0.225 116.117 115.700 0.319 0.000 2.419 195 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 195 S C 1.288 175.975 174.600 0.145 0.000 1.019 195 S CA 1.036 59.359 58.200 0.206 0.000 0.982 195 S CB -0.391 62.891 63.200 0.137 0.000 0.789 195 S HN 0.288 nan 8.310 nan 0.000 0.490 196 K N 0.894 121.369 120.400 0.125 0.000 2.500 196 K HA 0.249 4.569 4.320 -0.000 0.000 0.206 196 K C -0.285 176.194 176.600 -0.201 0.000 1.034 196 K CA -0.025 56.244 56.287 -0.030 0.000 1.179 196 K CB 0.142 32.594 32.500 -0.080 0.000 0.884 196 K HN 0.499 nan 8.250 nan 0.000 0.493 197 H N -0.347 118.795 119.070 0.120 0.000 2.980 197 H HA 0.275 4.831 4.556 -0.000 0.000 0.367 197 H C -2.652 172.789 175.328 0.188 0.000 1.206 197 H CA -2.186 53.954 56.048 0.153 0.000 1.126 197 H CB 2.040 31.899 29.762 0.162 0.000 1.838 197 H HN -0.135 nan 8.280 nan 0.000 0.552 198 P HA 0.132 nan 4.420 nan 0.000 0.271 198 P C -0.393 176.962 177.300 0.092 0.000 1.216 198 P CA 0.407 63.515 63.100 0.014 0.000 0.771 198 P CB 0.393 32.008 31.700 -0.143 0.000 0.864 199 H N -0.285 118.884 119.070 0.165 0.000 3.164 199 H HA -0.102 4.454 4.556 -0.000 0.000 0.223 199 H C 0.726 176.104 175.328 0.084 0.000 1.177 199 H CA 1.079 57.190 56.048 0.105 0.000 1.120 199 H CB -2.101 27.740 29.762 0.133 0.000 1.192 199 H HN 0.539 nan 8.280 nan 0.000 0.313 200 S N -0.965 114.859 115.700 0.207 0.000 2.535 200 S HA 0.465 4.935 4.470 -0.000 0.000 0.214 200 S C 1.299 175.966 174.600 0.112 0.000 0.980 200 S CA 0.173 58.458 58.200 0.143 0.000 0.907 200 S CB 0.642 64.009 63.200 0.278 0.000 0.790 200 S HN 0.603 nan 8.310 nan 0.000 0.510 201 A N 2.071 124.952 122.820 0.103 0.000 2.444 201 A HA 0.564 4.884 4.320 -0.000 0.000 0.287 201 A C -0.214 177.442 177.584 0.120 0.000 1.195 201 A CA -0.270 51.811 52.037 0.073 0.000 0.858 201 A CB -0.244 18.769 19.000 0.021 0.000 1.117 201 A HN 0.348 nan 8.150 nan 0.000 0.521 202 V N 6.258 126.237 119.914 0.108 0.000 2.409 202 V HA 0.314 4.434 4.120 -0.000 0.000 0.291 202 V C -2.325 173.808 176.094 0.065 0.000 1.020 202 V CA -1.810 60.569 62.300 0.133 0.000 0.848 202 V CB 1.840 33.731 31.823 0.113 0.000 0.990 202 V HN 0.699 nan 8.190 nan 0.000 0.430 203 P HA 0.109 nan 4.420 nan 0.000 0.266 203 P C 0.013 177.360 177.300 0.078 0.000 1.195 203 P CA 0.097 63.178 63.100 -0.033 0.000 0.768 203 P CB 0.713 32.267 31.700 -0.244 0.000 0.838 204 D N 1.605 122.045 120.400 0.066 0.000 2.149 204 D HA -0.032 4.608 4.640 -0.000 0.000 0.201 204 D C 1.562 177.923 176.300 0.101 0.000 0.972 204 D CA 1.267 55.312 54.000 0.075 0.000 0.835 204 D CB -0.405 40.427 40.800 0.052 0.000 0.966 204 D HN 0.464 nan 8.370 nan 0.000 0.476 205 G N -0.902 107.970 108.800 0.120 0.000 2.666 205 G HA2 0.199 4.159 3.960 -0.000 0.000 0.207 205 G HA3 0.199 4.159 3.960 -0.000 0.000 0.207 205 G C -0.818 174.211 174.900 0.215 0.000 1.481 205 G CA -0.439 44.751 45.100 0.150 0.000 1.071 205 G HN 0.141 nan 8.290 nan 0.000 0.572 206 Y N 0.572 120.928 120.300 0.093 0.000 2.299 206 Y HA 0.541 5.091 4.550 -0.000 0.000 0.326 206 Y C -0.422 175.585 175.900 0.177 0.000 1.164 206 Y CA -0.763 57.376 58.100 0.065 0.000 1.234 206 Y CB 0.636 39.107 38.460 0.017 0.000 1.219 206 Y HN 0.645 nan 8.280 nan 0.000 0.497 207 Y N 1.576 121.346 120.300 -0.883 0.000 2.774 207 Y HA 0.583 5.133 4.550 -0.000 0.000 0.346 207 Y C -1.704 173.763 175.900 -0.721 0.000 1.222 207 Y CA -0.828 56.821 58.100 -0.752 0.000 1.088 207 Y CB 0.567 38.832 38.460 -0.324 0.000 1.354 207 Y HN 0.700 nan 8.280 nan 0.000 0.455 208 T N -0.474 113.809 114.554 -0.452 0.000 2.896 208 T HA 0.771 5.121 4.350 -0.000 0.000 0.297 208 T C -1.722 172.888 174.700 -0.150 0.000 1.108 208 T CA -0.931 60.926 62.100 -0.405 0.000 1.004 208 T CB 1.689 70.397 68.868 -0.265 0.000 1.159 208 T HN 0.816 nan 8.240 nan 0.000 0.499 209 V N 3.468 123.286 119.914 -0.160 0.000 2.378 209 V HA 0.470 4.590 4.120 -0.000 0.000 0.288 209 V C -2.174 173.896 176.094 -0.040 0.000 1.016 209 V CA -2.027 60.251 62.300 -0.037 0.000 0.840 209 V CB 1.353 33.164 31.823 -0.020 0.000 0.994 209 V HN 0.850 nan 8.190 nan 0.000 0.431 210 P HA 0.111 nan 4.420 nan 0.000 0.265 210 P C -0.225 177.059 177.300 -0.026 0.000 1.193 210 P CA 0.069 63.158 63.100 -0.019 0.000 0.765 210 P CB 0.802 32.500 31.700 -0.004 0.000 0.823 211 L N 2.526 123.727 121.223 -0.037 0.000 2.476 211 L HA 0.080 4.420 4.340 -0.000 0.000 0.255 211 L C 1.156 177.993 176.870 -0.055 0.000 1.218 211 L CA 0.142 54.953 54.840 -0.047 0.000 0.819 211 L CB -0.265 41.761 42.059 -0.054 0.000 1.119 211 L HN 0.455 nan 8.230 nan 0.000 0.485 212 D N -0.149 120.206 120.400 -0.075 0.000 3.012 212 D HA -0.173 4.467 4.640 -0.000 0.000 0.222 212 D C -0.277 175.990 176.300 -0.055 0.000 1.167 212 D CA 1.242 55.188 54.000 -0.088 0.000 0.854 212 D CB -0.737 40.002 40.800 -0.102 0.000 1.107 212 D HN 0.514 nan 8.370 nan 0.000 0.421 213 K N -0.025 120.353 120.400 -0.036 0.000 2.604 213 K HA 0.657 4.977 4.320 -0.000 0.000 0.247 213 K C 0.040 176.638 176.600 -0.004 0.000 0.956 213 K CA -0.397 55.881 56.287 -0.015 0.000 0.896 213 K CB 1.934 34.430 32.500 -0.006 0.000 1.131 213 K HN 0.096 nan 8.250 nan 0.000 0.440 214 A N 1.979 124.801 122.820 0.003 0.000 2.310 214 A HA 0.724 5.044 4.320 -0.000 0.000 0.260 214 A C -0.403 177.190 177.584 0.015 0.000 1.112 214 A CA -0.255 51.792 52.037 0.016 0.000 0.804 214 A CB 0.479 19.496 19.000 0.029 0.000 1.081 214 A HN 0.709 nan 8.150 nan 0.000 0.499 215 A N 0.552 123.381 122.820 0.015 0.000 2.375 215 A HA 0.569 4.889 4.320 -0.000 0.000 0.295 215 A C -0.530 177.056 177.584 0.004 0.000 1.066 215 A CA -0.535 51.505 52.037 0.007 0.000 0.722 215 A CB 0.642 19.639 19.000 -0.006 0.000 1.206 215 A HN 0.606 nan 8.150 nan 0.000 0.435 216 I N 3.894 124.467 120.570 0.006 0.000 2.421 216 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 216 I C 1.150 177.268 176.117 0.001 0.000 1.089 216 I CA 0.357 61.659 61.300 0.004 0.000 1.354 216 I CB -0.055 37.950 38.000 0.007 0.000 1.413 216 I HN 0.745 nan 8.210 nan 0.000 0.513 217 T N 5.400 119.946 114.554 -0.012 0.000 2.852 217 T HA -0.015 4.335 4.350 -0.000 0.000 0.256 217 T C 1.095 175.794 174.700 -0.002 0.000 1.038 217 T CA 0.638 62.729 62.100 -0.015 0.000 1.141 217 T CB 0.058 68.886 68.868 -0.067 0.000 0.869 217 T HN 0.460 nan 8.240 nan 0.000 0.439 218 R N 2.165 122.659 120.500 -0.011 0.000 2.422 218 R HA 0.348 4.688 4.340 -0.000 0.000 0.307 218 R C -3.232 173.065 176.300 -0.005 0.000 1.004 218 R CA -2.296 53.801 56.100 -0.005 0.000 0.882 218 R CB 1.478 31.771 30.300 -0.012 0.000 1.164 218 R HN 0.067 nan 8.270 nan 0.000 0.489 219 P HA 0.226 nan 4.420 nan 0.000 0.271 219 P C -0.650 176.647 177.300 -0.005 0.000 1.220 219 P CA -0.083 63.016 63.100 -0.002 0.000 0.768 219 P CB 1.546 33.246 31.700 0.001 0.000 0.848 220 G N 1.795 110.591 108.800 -0.007 0.000 2.687 220 G HA2 0.320 4.280 3.960 -0.000 0.000 0.291 220 G HA3 0.320 4.280 3.960 -0.000 0.000 0.291 220 G C -0.232 174.662 174.900 -0.011 0.000 1.420 220 G CA -0.476 44.619 45.100 -0.009 0.000 0.796 220 G HN 0.362 nan 8.290 nan 0.000 0.485 221 N N -1.000 117.692 118.700 -0.013 0.000 2.211 221 N HA 0.043 4.783 4.740 -0.000 0.000 0.216 221 N C 0.378 175.878 175.510 -0.017 0.000 1.240 221 N CA 0.046 53.087 53.050 -0.015 0.000 0.895 221 N CB 1.198 39.675 38.487 -0.016 0.000 1.102 221 N HN 0.391 nan 8.380 nan 0.000 0.498 222 D N 0.918 121.309 120.400 -0.016 0.000 2.106 222 D HA 0.051 4.691 4.640 -0.000 0.000 0.203 222 D C 0.598 176.887 176.300 -0.018 0.000 0.977 222 D CA 1.171 55.160 54.000 -0.017 0.000 0.844 222 D CB 0.535 41.325 40.800 -0.017 0.000 1.002 222 D HN -0.089 nan 8.370 nan 0.000 0.461 223 V N 0.181 120.083 119.914 -0.019 0.000 2.760 223 V HA 0.337 4.457 4.120 -0.000 0.000 0.309 223 V C -0.402 175.681 176.094 -0.018 0.000 1.077 223 V CA -0.949 61.339 62.300 -0.020 0.000 0.910 223 V CB 2.248 34.055 31.823 -0.026 0.000 1.008 223 V HN -0.119 nan 8.190 nan 0.000 0.424 224 S N 2.530 118.222 115.700 -0.014 0.000 2.513 224 S HA 0.563 5.033 4.470 -0.000 0.000 0.276 224 S C -0.265 174.324 174.600 -0.017 0.000 1.254 224 S CA -0.441 57.753 58.200 -0.010 0.000 1.053 224 S CB 1.331 64.531 63.200 0.001 0.000 0.958 224 S HN 0.505 nan 8.310 nan 0.000 0.491 225 V N 5.396 125.299 119.914 -0.019 0.000 2.350 225 V HA 0.326 4.446 4.120 -0.000 0.000 0.285 225 V C -0.404 175.680 176.094 -0.016 0.000 1.014 225 V CA -0.577 61.705 62.300 -0.030 0.000 0.831 225 V CB 0.959 32.756 31.823 -0.044 0.000 1.000 225 V HN 0.727 nan 8.190 nan 0.000 0.433 226 L N 4.971 126.189 121.223 -0.009 0.000 2.265 226 L HA 0.743 5.083 4.340 -0.000 0.000 0.288 226 L C 0.276 177.165 176.870 0.032 0.000 1.058 226 L CA 0.366 55.226 54.840 0.033 0.000 0.809 226 L CB 1.334 43.419 42.059 0.042 0.000 1.179 226 L HN 0.731 nan 8.230 nan 0.000 0.429 227 T N 1.725 116.321 114.554 0.071 0.000 2.693 227 T HA 0.668 5.018 4.350 -0.000 0.000 0.304 227 T C -1.915 172.863 174.700 0.129 0.000 1.471 227 T CA -0.433 61.646 62.100 -0.036 0.000 0.993 227 T CB 1.417 70.207 68.868 -0.131 0.000 1.554 227 T HN 0.488 nan 8.240 nan 0.000 0.496 228 Y N -1.689 118.656 120.300 0.075 0.000 2.702 228 Y HA 0.635 5.185 4.550 -0.000 0.000 0.336 228 Y C 0.425 176.368 175.900 0.072 0.000 1.203 228 Y CA -0.418 57.716 58.100 0.058 0.000 1.072 228 Y CB 0.317 38.809 38.460 0.054 0.000 1.327 228 Y HN 1.389 nan 8.280 nan 0.000 0.456 229 G N 0.670 109.619 108.800 0.247 0.000 2.547 229 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.271 229 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.271 229 G C 0.656 175.692 174.900 0.226 0.000 1.209 229 G CA 0.604 45.825 45.100 0.201 0.000 0.959 229 G HN 1.197 nan 8.290 nan 0.000 0.563 230 T N 1.378 116.077 114.554 0.242 0.000 2.788 230 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 230 T C 2.658 177.555 174.700 0.328 0.000 1.044 230 T CA 3.249 65.561 62.100 0.353 0.000 1.139 230 T CB -0.806 68.318 68.868 0.427 0.000 0.867 230 T HN 1.389 nan 8.240 nan 0.000 0.454 231 T N 0.471 115.119 114.554 0.156 0.000 3.098 231 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 231 T C 1.921 176.624 174.700 0.005 0.000 1.145 231 T CA 0.260 62.371 62.100 0.019 0.000 1.092 231 T CB -0.687 68.088 68.868 -0.154 0.000 0.908 231 T HN 0.193 nan 8.240 nan 0.000 0.526 232 V N 0.493 120.434 119.914 0.044 0.000 2.261 232 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 232 V C 2.243 178.277 176.094 -0.099 0.000 1.047 232 V CA 1.557 63.824 62.300 -0.055 0.000 1.015 232 V CB -0.847 30.912 31.823 -0.108 0.000 0.642 232 V HN 0.483 nan 8.190 nan 0.000 0.446 233 Y N -0.279 120.056 120.300 0.057 0.000 2.352 233 Y HA -0.130 4.420 4.550 -0.000 0.000 0.292 233 Y C 2.370 178.256 175.900 -0.023 0.000 1.136 233 Y CA 1.225 59.343 58.100 0.030 0.000 1.227 233 Y CB -0.611 37.870 38.460 0.034 0.000 0.991 233 Y HN 0.043 nan 8.280 nan 0.000 0.545 234 V N -0.375 119.608 119.914 0.115 0.000 2.307 234 V HA -0.306 3.814 4.120 -0.000 0.000 0.245 234 V C 2.507 178.572 176.094 -0.048 0.000 1.045 234 V CA 1.690 63.989 62.300 -0.002 0.000 1.024 234 V CB -1.304 30.512 31.823 -0.010 0.000 0.651 234 V HN 0.444 nan 8.190 nan 0.000 0.449 235 A N -0.773 122.016 122.820 -0.051 0.000 1.933 235 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 235 A C 2.194 179.750 177.584 -0.047 0.000 1.175 235 A CA 1.946 53.944 52.037 -0.065 0.000 0.628 235 A CB -0.461 18.495 19.000 -0.073 0.000 0.814 235 A HN 0.635 nan 8.150 nan 0.000 0.444 236 Q N -0.629 119.147 119.800 -0.040 0.000 1.993 236 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 236 Q C 2.207 178.206 176.000 -0.002 0.000 0.984 236 Q CA 1.796 57.585 55.803 -0.024 0.000 0.837 236 Q CB -0.448 28.273 28.738 -0.027 0.000 0.902 236 Q HN 0.454 nan 8.270 nan 0.000 0.423 237 V N 1.056 120.974 119.914 0.007 0.000 2.287 237 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 237 V C 2.271 178.365 176.094 -0.000 0.000 1.053 237 V CA 1.906 64.213 62.300 0.012 0.000 1.027 237 V CB -0.976 30.843 31.823 -0.006 0.000 0.646 237 V HN 0.444 nan 8.190 nan 0.000 0.447 238 A N -0.260 122.541 122.820 -0.031 0.000 1.972 238 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 238 A C 2.400 179.971 177.584 -0.021 0.000 1.169 238 A CA 2.024 54.042 52.037 -0.032 0.000 0.635 238 A CB -0.691 18.274 19.000 -0.058 0.000 0.810 238 A HN 0.593 nan 8.150 nan 0.000 0.446 239 A N -0.492 122.315 122.820 -0.022 0.000 1.933 239 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 239 A C 2.001 179.580 177.584 -0.009 0.000 1.175 239 A CA 1.779 53.805 52.037 -0.018 0.000 0.628 239 A CB -0.450 18.539 19.000 -0.020 0.000 0.814 239 A HN 0.656 nan 8.150 nan 0.000 0.444 240 E N -0.357 119.842 120.200 -0.001 0.000 2.107 240 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 240 E C 1.885 178.487 176.600 0.005 0.000 0.982 240 E CA 1.150 57.553 56.400 0.005 0.000 0.809 240 E CB -0.044 29.664 29.700 0.014 0.000 0.756 240 E HN 0.754 nan 8.360 nan 0.000 0.459 241 E N -0.297 119.908 120.200 0.009 0.000 2.112 241 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 241 E C 2.098 178.699 176.600 0.001 0.000 0.979 241 E CA 0.946 57.352 56.400 0.010 0.000 0.814 241 E CB 0.180 29.896 29.700 0.026 0.000 0.762 241 E HN 0.095 nan 8.360 nan 0.000 0.460 242 S N -0.608 115.090 115.700 -0.004 0.000 2.423 242 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 242 S C 1.725 176.320 174.600 -0.009 0.000 1.014 242 S CA 0.849 59.044 58.200 -0.008 0.000 0.965 242 S CB 0.073 63.264 63.200 -0.015 0.000 0.785 242 S HN 0.557 nan 8.310 nan 0.000 0.495 243 G N 0.588 109.383 108.800 -0.008 0.000 2.336 243 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.233 243 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.233 243 G C 0.291 175.185 174.900 -0.010 0.000 1.053 243 G CA 0.033 45.128 45.100 -0.008 0.000 0.625 243 G HN 0.499 nan 8.290 nan 0.000 0.511 244 V N 2.167 122.073 119.914 -0.012 0.000 2.644 244 V HA 0.156 4.276 4.120 -0.000 0.000 0.303 244 V C 0.932 177.018 176.094 -0.014 0.000 1.058 244 V CA 1.169 63.460 62.300 -0.015 0.000 1.228 244 V CB 0.923 32.735 31.823 -0.019 0.000 0.861 244 V HN 0.480 nan 8.190 nan 0.000 0.484 245 D N 4.563 124.955 120.400 -0.014 0.000 2.600 245 D HA 0.382 5.022 4.640 -0.000 0.000 0.226 245 D C 0.386 176.677 176.300 -0.015 0.000 1.119 245 D CA 0.152 54.145 54.000 -0.013 0.000 1.051 245 D CB 0.026 40.819 40.800 -0.011 0.000 1.106 245 D HN 0.795 nan 8.370 nan 0.000 0.491 246 A N 2.902 125.712 122.820 -0.017 0.000 2.331 246 A HA 0.340 4.660 4.320 -0.000 0.000 0.283 246 A C 0.305 177.879 177.584 -0.018 0.000 1.142 246 A CA -0.653 51.372 52.037 -0.020 0.000 0.812 246 A CB 0.529 19.513 19.000 -0.026 0.000 1.074 246 A HN 0.515 nan 8.150 nan 0.000 0.497 247 E N 1.931 122.121 120.200 -0.016 0.000 2.180 247 E HA 0.409 4.759 4.350 -0.000 0.000 0.283 247 E C -1.135 175.456 176.600 -0.015 0.000 1.061 247 E CA -0.232 56.161 56.400 -0.012 0.000 0.861 247 E CB 0.710 30.405 29.700 -0.007 0.000 1.056 247 E HN 0.383 nan 8.360 nan 0.000 0.407 248 V N 7.110 127.013 119.914 -0.018 0.000 2.350 248 V HA 0.292 4.412 4.120 -0.000 0.000 0.276 248 V C 0.052 176.137 176.094 -0.015 0.000 1.028 248 V CA -0.451 61.834 62.300 -0.025 0.000 0.860 248 V CB 0.904 32.702 31.823 -0.042 0.000 0.990 248 V HN 0.622 nan 8.190 nan 0.000 0.453 249 I N 3.937 124.506 120.570 -0.002 0.000 2.339 249 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 249 I C -0.420 175.718 176.117 0.035 0.000 0.994 249 I CA -0.442 60.868 61.300 0.017 0.000 1.191 249 I CB 1.749 39.767 38.000 0.030 0.000 1.343 249 I HN 0.491 nan 8.210 nan 0.000 0.458 250 D N 6.741 127.158 120.400 0.030 0.000 2.428 250 D HA 0.254 4.894 4.640 -0.000 0.000 0.221 250 D C 1.016 177.363 176.300 0.079 0.000 1.123 250 D CA -0.237 53.798 54.000 0.059 0.000 0.869 250 D CB 0.930 41.739 40.800 0.014 0.000 1.032 250 D HN 0.429 nan 8.370 nan 0.000 0.506 251 L N 3.161 124.468 121.223 0.140 0.000 2.129 251 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 251 L C 2.025 178.918 176.870 0.039 0.000 1.087 251 L CA 0.680 55.586 54.840 0.110 0.000 0.757 251 L CB -0.392 41.777 42.059 0.184 0.000 0.896 251 L HN 0.546 nan 8.230 nan 0.000 0.434 252 R N -1.475 119.041 120.500 0.027 0.000 1.396 252 R HA -0.219 4.121 4.340 -0.000 0.000 0.053 252 R C 0.476 176.718 176.300 -0.097 0.000 0.951 252 R CA 1.902 57.983 56.100 -0.032 0.000 1.960 252 R CB -1.439 28.850 30.300 -0.018 0.000 0.309 252 R HN 0.311 nan 8.270 nan 0.000 0.719 253 S N 0.934 116.586 115.700 -0.080 0.000 2.410 253 S HA 0.370 4.840 4.470 -0.000 0.000 0.304 253 S C 1.239 175.770 174.600 -0.115 0.000 1.095 253 S CA -0.592 57.539 58.200 -0.115 0.000 1.089 253 S CB 1.246 64.387 63.200 -0.098 0.000 0.968 253 S HN 0.210 nan 8.310 nan 0.000 0.480 254 L N 2.022 123.110 121.223 -0.225 0.000 1.988 254 L HA 0.149 4.489 4.340 -0.000 0.000 0.207 254 L C 0.739 177.624 176.870 0.024 0.000 1.071 254 L CA 1.007 55.658 54.840 -0.314 0.000 0.744 254 L CB 0.064 41.637 42.059 -0.809 0.000 0.893 254 L HN 0.567 nan 8.230 nan 0.000 0.433 255 W N 0.250 121.413 121.300 -0.229 0.000 3.439 255 W HA 0.296 4.956 4.660 -0.000 0.000 0.323 255 W C -2.927 173.545 176.519 -0.078 0.000 1.174 255 W CA -1.841 55.460 57.345 -0.073 0.000 1.224 255 W CB 1.551 30.997 29.460 -0.024 0.000 1.348 255 W HN -0.264 nan 8.180 nan 0.000 0.498 256 P HA 0.099 nan 4.420 nan 0.000 0.269 256 P C -0.455 176.502 177.300 -0.571 0.000 1.215 256 P CA 0.210 62.598 63.100 -1.187 0.000 0.780 256 P CB 0.693 31.916 31.700 -0.795 0.000 0.898 257 L N -0.924 119.965 121.223 -0.556 0.000 2.298 257 L HA 0.696 5.036 4.340 -0.000 0.000 0.268 257 L C 0.137 176.914 176.870 -0.156 0.000 1.010 257 L CA -0.756 53.976 54.840 -0.179 0.000 0.812 257 L CB 0.020 42.119 42.059 0.066 0.000 1.331 257 L HN 0.033 nan 8.230 nan 0.000 0.450 258 D N 0.447 120.811 120.400 -0.060 0.000 2.508 258 D HA 0.107 4.747 4.640 -0.000 0.000 0.224 258 D C 0.831 177.126 176.300 -0.009 0.000 1.171 258 D CA -0.027 53.951 54.000 -0.037 0.000 1.006 258 D CB 0.476 41.268 40.800 -0.012 0.000 1.073 258 D HN 0.645 nan 8.370 nan 0.000 0.513 259 L N 3.194 124.406 121.223 -0.019 0.000 2.083 259 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 259 L C 1.459 178.359 176.870 0.051 0.000 1.083 259 L CA 1.757 56.610 54.840 0.022 0.000 0.752 259 L CB -0.123 41.956 42.059 0.033 0.000 0.899 259 L HN 0.229 nan 8.230 nan 0.000 0.433 260 D N -1.070 119.354 120.400 0.041 0.000 2.084 260 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 260 D C 2.021 178.347 176.300 0.044 0.000 0.990 260 D CA 2.018 56.048 54.000 0.049 0.000 0.826 260 D CB -0.384 40.435 40.800 0.033 0.000 0.971 260 D HN 0.346 nan 8.370 nan 0.000 0.453 261 T N 1.564 116.137 114.554 0.031 0.000 2.699 261 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 261 T C 2.235 176.957 174.700 0.036 0.000 1.036 261 T CA 0.791 62.908 62.100 0.029 0.000 1.147 261 T CB -0.266 68.616 68.868 0.023 0.000 0.862 261 T HN 0.160 nan 8.240 nan 0.000 0.446 262 I N 0.532 121.126 120.570 0.041 0.000 2.113 262 I HA -0.155 4.015 4.170 -0.000 0.000 0.238 262 I C 2.513 178.662 176.117 0.054 0.000 1.070 262 I CA 1.019 62.346 61.300 0.044 0.000 1.332 262 I CB -0.577 37.449 38.000 0.043 0.000 1.044 262 I HN 0.068 nan 8.210 nan 0.000 0.402 263 V N 0.726 120.684 119.914 0.074 0.000 2.332 263 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 263 V C 2.490 178.640 176.094 0.093 0.000 1.055 263 V CA 2.162 64.524 62.300 0.105 0.000 1.038 263 V CB -0.734 31.180 31.823 0.153 0.000 0.651 263 V HN 0.489 nan 8.190 nan 0.000 0.450 264 E N -0.064 120.178 120.200 0.069 0.000 2.085 264 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 264 E C 2.395 179.017 176.600 0.037 0.000 0.994 264 E CA 1.663 58.094 56.400 0.051 0.000 0.801 264 E CB -0.099 29.623 29.700 0.037 0.000 0.743 264 E HN 0.578 nan 8.360 nan 0.000 0.453 265 S N -0.367 115.353 115.700 0.033 0.000 2.355 265 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 265 S C 1.978 176.590 174.600 0.021 0.000 1.031 265 S CA 1.125 59.338 58.200 0.021 0.000 0.993 265 S CB -0.018 63.193 63.200 0.018 0.000 0.859 265 S HN 0.159 nan 8.310 nan 0.000 0.453 266 V N 2.102 122.038 119.914 0.037 0.000 2.515 266 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 266 V C 2.316 178.446 176.094 0.059 0.000 1.058 266 V CA 1.565 63.891 62.300 0.043 0.000 1.064 266 V CB -0.554 31.302 31.823 0.053 0.000 0.675 266 V HN 0.441 nan 8.190 nan 0.000 0.461 267 K N 0.747 121.196 120.400 0.082 0.000 2.057 267 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 267 K C 2.330 178.877 176.600 -0.088 0.000 1.049 267 K CA 1.781 58.121 56.287 0.088 0.000 0.931 267 K CB -0.168 32.420 32.500 0.147 0.000 0.714 267 K HN 0.380 nan 8.250 nan 0.000 0.440 268 K N 0.016 120.386 120.400 -0.051 0.000 2.001 268 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 268 K C 1.917 178.483 176.600 -0.056 0.000 1.048 268 K CA 1.886 58.133 56.287 -0.067 0.000 0.932 268 K CB -0.262 32.218 32.500 -0.034 0.000 0.715 268 K HN 0.134 nan 8.250 nan 0.000 0.437 269 T N -0.795 113.742 114.554 -0.028 0.000 2.588 269 T HA -0.060 4.290 4.350 -0.000 0.000 0.261 269 T C 1.235 175.923 174.700 -0.020 0.000 1.069 269 T CA 2.085 64.173 62.100 -0.021 0.000 1.172 269 T CB -0.496 68.367 68.868 -0.010 0.000 0.863 269 T HN 0.640 nan 8.240 nan 0.000 0.408 270 G N 1.798 110.596 108.800 -0.003 0.000 2.179 270 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 270 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 270 G C 0.115 175.014 174.900 -0.002 0.000 0.990 270 G CA 0.039 45.143 45.100 0.006 0.000 0.646 270 G HN 0.827 nan 8.290 nan 0.000 0.517 271 R N -1.462 119.035 120.500 -0.005 0.000 2.634 271 R HA 0.696 5.036 4.340 -0.000 0.000 0.263 271 R C -0.581 175.711 176.300 -0.014 0.000 1.060 271 R CA -0.423 55.669 56.100 -0.014 0.000 0.898 271 R CB 0.922 31.209 30.300 -0.021 0.000 1.253 271 R HN 1.123 nan 8.270 nan 0.000 0.461 272 C N -0.000 119.288 119.300 -0.019 0.000 3.086 272 C HA 0.857 5.317 4.460 -0.000 0.000 0.311 272 C C -1.135 173.832 174.990 -0.038 0.000 1.260 272 C CA -0.587 58.417 59.018 -0.024 0.000 1.426 272 C CB 1.725 29.457 27.740 -0.014 0.000 1.826 272 C HN 0.667 nan 8.230 nan 0.000 0.474 273 V N 3.455 123.340 119.914 -0.048 0.000 2.483 273 V HA 0.549 4.669 4.120 -0.000 0.000 0.297 273 V C -0.162 175.882 176.094 -0.082 0.000 1.027 273 V CA -0.383 61.874 62.300 -0.071 0.000 0.855 273 V CB 1.510 33.286 31.823 -0.079 0.000 0.995 273 V HN 0.882 nan 8.190 nan 0.000 0.424 274 V N 5.537 125.390 119.914 -0.102 0.000 2.465 274 V HA 0.521 4.641 4.120 -0.000 0.000 0.279 274 V C -0.145 175.825 176.094 -0.207 0.000 1.045 274 V CA -0.379 61.855 62.300 -0.111 0.000 0.938 274 V CB 1.706 33.479 31.823 -0.083 0.000 0.986 274 V HN 0.624 nan 8.190 nan 0.000 0.467 275 V N 5.640 125.424 119.914 -0.218 0.000 2.525 275 V HA 0.630 4.750 4.120 -0.000 0.000 0.299 275 V C -0.766 175.114 176.094 -0.357 0.000 1.034 275 V CA -0.578 61.527 62.300 -0.324 0.000 0.863 275 V CB 1.619 33.288 31.823 -0.257 0.000 0.999 275 V HN 1.196 nan 8.190 nan 0.000 0.423 276 H N 0.707 119.602 119.070 -0.292 0.000 3.046 276 H HA 0.535 5.091 4.556 -0.000 0.000 0.361 276 H C 0.173 175.380 175.328 -0.200 0.000 1.235 276 H CA -0.887 54.969 56.048 -0.321 0.000 1.146 276 H CB 1.189 30.818 29.762 -0.223 0.000 1.859 276 H HN 0.340 nan 8.280 nan 0.000 0.548 277 E N 1.248 121.504 120.200 0.093 0.000 2.106 277 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 277 E C 0.765 177.545 176.600 0.299 0.000 0.984 277 E CA 0.937 57.426 56.400 0.148 0.000 0.806 277 E CB 0.040 29.907 29.700 0.277 0.000 0.750 277 E HN 0.685 nan 8.360 nan 0.000 0.458 278 A N 2.039 125.078 122.820 0.365 0.000 2.547 278 A HA 0.021 4.341 4.320 -0.000 0.000 0.233 278 A C 0.759 178.549 177.584 0.343 0.000 1.067 278 A CA 0.324 52.536 52.037 0.292 0.000 0.763 278 A CB -0.134 18.887 19.000 0.036 0.000 1.007 278 A HN 0.257 nan 8.150 nan 0.000 0.506 279 T N 0.213 114.939 114.554 0.286 0.000 2.906 279 T HA 0.154 4.504 4.350 -0.000 0.000 0.320 279 T C 1.149 175.981 174.700 0.220 0.000 1.088 279 T CA 0.549 62.797 62.100 0.246 0.000 1.120 279 T CB 0.434 69.447 68.868 0.242 0.000 1.000 279 T HN 0.692 nan 8.240 nan 0.000 0.550 280 R N 0.981 121.564 120.500 0.138 0.000 2.092 280 R HA -0.014 4.326 4.340 -0.000 0.000 0.226 280 R C 0.899 177.273 176.300 0.122 0.000 1.140 280 R CA 1.486 57.651 56.100 0.108 0.000 0.910 280 R CB -0.915 29.409 30.300 0.039 0.000 0.822 280 R HN 0.787 nan 8.270 nan 0.000 0.433 281 T N 0.855 115.468 114.554 0.099 0.000 2.822 281 T HA -0.051 4.299 4.350 -0.000 0.000 0.288 281 T C 0.539 175.282 174.700 0.073 0.000 0.991 281 T CA 0.489 62.634 62.100 0.076 0.000 1.176 281 T CB 0.142 69.052 68.868 0.068 0.000 0.951 281 T HN 0.549 nan 8.240 nan 0.000 0.526 282 C N 2.652 121.984 119.300 0.054 0.000 4.265 282 C HA -0.135 4.325 4.460 -0.000 0.000 0.287 282 C C 1.755 176.775 174.990 0.050 0.000 1.451 282 C CA 0.344 59.385 59.018 0.039 0.000 1.966 282 C CB -2.436 25.320 27.740 0.027 0.000 1.302 282 C HN 1.241 nan 8.230 nan 0.000 0.794 283 G N -1.219 107.629 108.800 0.080 0.000 2.631 283 G HA2 0.380 4.340 3.960 -0.000 0.000 0.271 283 G HA3 0.380 4.340 3.960 -0.000 0.000 0.271 283 G C 0.388 175.338 174.900 0.083 0.000 1.302 283 G CA 0.184 45.321 45.100 0.061 0.000 1.002 283 G HN 0.302 nan 8.290 nan 0.000 0.519 284 F N 1.021 120.875 119.950 -0.159 0.000 2.234 284 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 284 F C 2.500 178.338 175.800 0.063 0.000 1.087 284 F CA 1.513 59.469 58.000 -0.074 0.000 1.340 284 F CB -0.511 38.441 39.000 -0.079 0.000 1.031 284 F HN 0.375 nan 8.300 nan 0.000 0.500 285 G N -0.119 108.783 108.800 0.169 0.000 2.475 285 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 285 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 285 G C 1.859 176.739 174.900 -0.034 0.000 1.125 285 G CA 0.865 46.061 45.100 0.161 0.000 0.755 285 G HN 0.576 nan 8.290 nan 0.000 0.565 286 A N 0.579 123.390 122.820 -0.015 0.000 1.930 286 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 286 A C 2.167 179.684 177.584 -0.112 0.000 1.175 286 A CA 2.128 54.137 52.037 -0.048 0.000 0.627 286 A CB -0.305 18.686 19.000 -0.016 0.000 0.815 286 A HN 0.405 nan 8.150 nan 0.000 0.443 287 E N 0.315 120.402 120.200 -0.188 0.000 2.072 287 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 287 E C 1.811 178.259 176.600 -0.255 0.000 0.985 287 E CA 1.132 57.389 56.400 -0.237 0.000 0.801 287 E CB -0.447 29.076 29.700 -0.296 0.000 0.750 287 E HN 0.567 nan 8.360 nan 0.000 0.452 288 L N -0.375 120.629 121.223 -0.366 0.000 2.012 288 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 288 L C 2.469 179.256 176.870 -0.137 0.000 1.073 288 L CA 1.132 55.816 54.840 -0.260 0.000 0.748 288 L CB -0.506 41.385 42.059 -0.281 0.000 0.891 288 L HN 0.099 nan 8.230 nan 0.000 0.431 289 V N -0.996 118.850 119.914 -0.113 0.000 2.332 289 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 289 V C 2.551 178.610 176.094 -0.059 0.000 1.055 289 V CA 2.099 64.359 62.300 -0.068 0.000 1.038 289 V CB -0.414 31.378 31.823 -0.052 0.000 0.651 289 V HN 0.387 nan 8.190 nan 0.000 0.450 290 S N -0.260 115.393 115.700 -0.077 0.000 2.383 290 S HA -0.068 4.402 4.470 -0.000 0.000 0.227 290 S C 1.879 176.430 174.600 -0.082 0.000 1.026 290 S CA 1.324 59.483 58.200 -0.069 0.000 0.981 290 S CB -0.275 62.877 63.200 -0.080 0.000 0.818 290 S HN 0.448 nan 8.310 nan 0.000 0.472 291 L N 0.793 121.949 121.223 -0.113 0.000 2.027 291 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 291 L C 2.357 179.127 176.870 -0.167 0.000 1.074 291 L CA 0.864 55.598 54.840 -0.176 0.000 0.745 291 L CB -0.652 41.322 42.059 -0.142 0.000 0.898 291 L HN 0.192 nan 8.230 nan 0.000 0.433 292 V N -0.124 119.744 119.914 -0.076 0.000 2.287 292 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 292 V C 2.546 178.662 176.094 0.036 0.000 1.053 292 V CA 2.036 64.329 62.300 -0.011 0.000 1.027 292 V CB -0.698 31.123 31.823 -0.004 0.000 0.646 292 V HN 0.577 nan 8.190 nan 0.000 0.447 293 Q N 0.366 120.185 119.800 0.032 0.000 2.135 293 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 293 Q C 2.205 178.268 176.000 0.104 0.000 0.981 293 Q CA 2.422 58.281 55.803 0.093 0.000 0.856 293 Q CB -0.208 28.571 28.738 0.067 0.000 0.902 293 Q HN 0.805 nan 8.270 nan 0.000 0.425 294 E N -1.049 119.184 120.200 0.055 0.000 2.106 294 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 294 E C 1.335 178.107 176.600 0.288 0.000 0.984 294 E CA 0.902 57.371 56.400 0.115 0.000 0.806 294 E CB 0.027 29.783 29.700 0.094 0.000 0.750 294 E HN 0.627 nan 8.360 nan 0.000 0.458 295 H N -2.639 116.451 119.070 0.033 0.000 2.705 295 H HA 0.216 4.772 4.556 -0.000 0.000 0.269 295 H C 0.340 175.697 175.328 0.048 0.000 0.998 295 H CA -0.200 55.872 56.048 0.040 0.000 1.193 295 H CB 0.810 30.600 29.762 0.046 0.000 1.485 295 H HN 0.146 nan 8.280 nan 0.000 0.521 296 C N 0.961 120.366 119.300 0.175 0.000 2.913 296 C HA 0.088 4.548 4.460 -0.000 0.000 0.246 296 C C 1.402 176.442 174.990 0.083 0.000 1.857 296 C CA -0.770 58.322 59.018 0.124 0.000 1.690 296 C CB -1.681 26.140 27.740 0.134 0.000 3.235 296 C HN 0.504 nan 8.230 nan 0.000 0.475 297 F N 1.718 121.595 119.950 -0.120 0.000 2.128 297 F HA -0.075 4.452 4.527 -0.000 0.000 0.295 297 F C 2.486 178.152 175.800 -0.222 0.000 1.100 297 F CA 1.758 59.630 58.000 -0.212 0.000 1.260 297 F CB -0.179 38.605 39.000 -0.360 0.000 1.009 297 F HN 0.398 nan 8.300 nan 0.000 0.476 298 H N -1.425 117.619 119.070 -0.044 0.000 2.428 298 H HA -0.036 4.520 4.556 -0.000 0.000 0.296 298 H C 1.373 176.653 175.328 -0.080 0.000 1.062 298 H CA 1.699 57.666 56.048 -0.136 0.000 1.350 298 H CB -0.940 28.774 29.762 -0.080 0.000 1.403 298 H HN 0.525 nan 8.280 nan 0.000 0.533 299 H N -0.238 118.873 119.070 0.069 0.000 2.547 299 H HA 0.060 4.616 4.556 -0.000 0.000 0.274 299 H C -0.042 175.267 175.328 -0.032 0.000 1.024 299 H CA -0.565 55.497 56.048 0.023 0.000 1.155 299 H CB 0.269 30.056 29.762 0.043 0.000 1.344 299 H HN -0.052 nan 8.280 nan 0.000 0.598 300 L N 2.031 123.253 121.223 -0.001 0.000 2.255 300 L HA 0.075 4.415 4.340 -0.000 0.000 0.289 300 L C 0.683 177.502 176.870 -0.085 0.000 1.046 300 L CA -0.135 54.667 54.840 -0.063 0.000 0.816 300 L CB 1.072 43.043 42.059 -0.146 0.000 1.197 300 L HN 0.094 nan 8.230 nan 0.000 0.427 301 E N 3.678 123.852 120.200 -0.044 0.000 2.489 301 E HA 0.395 4.745 4.350 -0.000 0.000 0.193 301 E C -0.026 176.545 176.600 -0.048 0.000 1.057 301 E CA 0.262 56.637 56.400 -0.043 0.000 0.866 301 E CB 0.451 30.136 29.700 -0.025 0.000 0.916 301 E HN 0.580 nan 8.360 nan 0.000 0.500 302 A N 0.968 123.754 122.820 -0.056 0.000 2.567 302 A HA 0.498 4.818 4.320 -0.000 0.000 0.291 302 A C -2.874 174.681 177.584 -0.048 0.000 1.048 302 A CA -1.251 50.758 52.037 -0.048 0.000 0.661 302 A CB 0.471 19.450 19.000 -0.034 0.000 1.288 302 A HN -0.134 nan 8.150 nan 0.000 0.424 303 P HA 0.409 nan 4.420 nan 0.000 0.268 303 P C -0.550 176.733 177.300 -0.028 0.000 1.204 303 P CA 0.103 63.185 63.100 -0.029 0.000 0.768 303 P CB 0.134 31.821 31.700 -0.020 0.000 0.842 304 I N 2.735 123.291 120.570 -0.024 0.000 2.587 304 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 304 I C 1.189 177.283 176.117 -0.038 0.000 1.134 304 I CA 0.276 61.559 61.300 -0.029 0.000 1.410 304 I CB 0.063 38.049 38.000 -0.023 0.000 1.392 304 I HN 0.223 nan 8.210 nan 0.000 0.545 305 E N 7.171 127.341 120.200 -0.050 0.000 2.250 305 E HA 0.543 4.893 4.350 -0.000 0.000 0.265 305 E C -0.498 176.047 176.600 -0.091 0.000 1.033 305 E CA -0.788 55.573 56.400 -0.064 0.000 0.888 305 E CB 1.845 31.506 29.700 -0.065 0.000 1.151 305 E HN 0.547 nan 8.360 nan 0.000 0.412 306 R N -0.987 119.442 120.500 -0.118 0.000 2.510 306 R HA 0.478 4.818 4.340 -0.000 0.000 0.287 306 R C -1.285 174.868 176.300 -0.245 0.000 1.084 306 R CA -0.711 55.281 56.100 -0.182 0.000 0.934 306 R CB 0.595 30.789 30.300 -0.176 0.000 1.201 306 R HN 0.074 nan 8.270 nan 0.000 0.431 307 V N 2.971 122.705 119.914 -0.300 0.000 2.333 307 V HA 0.461 4.581 4.120 -0.000 0.000 0.274 307 V C 0.371 176.166 176.094 -0.499 0.000 1.028 307 V CA -0.173 61.908 62.300 -0.365 0.000 0.851 307 V CB 0.859 32.500 31.823 -0.304 0.000 1.000 307 V HN 1.028 nan 8.190 nan 0.000 0.456 308 T N 1.728 115.940 114.554 -0.571 0.000 2.804 308 T HA 0.744 5.094 4.350 -0.000 0.000 0.290 308 T C 0.316 174.601 174.700 -0.691 0.000 1.099 308 T CA -0.214 61.529 62.100 -0.594 0.000 1.011 308 T CB 1.630 70.178 68.868 -0.534 0.000 1.291 308 T HN 0.797 nan 8.240 nan 0.000 0.523 309 G N -0.611 107.874 108.800 -0.525 0.000 2.544 309 G HA2 0.432 4.392 3.960 -0.000 0.000 0.242 309 G HA3 0.432 4.392 3.960 -0.000 0.000 0.242 309 G C -0.536 173.951 174.900 -0.688 0.000 1.247 309 G CA -1.002 43.574 45.100 -0.873 0.000 0.840 309 G HN 0.685 nan 8.290 nan 0.000 0.578 310 W N -0.740 120.189 121.300 -0.618 0.000 2.112 310 W HA 0.191 4.851 4.660 -0.000 0.000 0.349 310 W C 0.397 176.998 176.519 0.138 0.000 1.289 310 W CA -0.724 56.547 57.345 -0.124 0.000 1.256 310 W CB 0.605 30.031 29.460 -0.058 0.000 1.148 310 W HN 0.301 nan 8.180 nan 0.000 0.590 311 D N 1.815 122.431 120.400 0.362 0.000 2.597 311 D HA 0.061 4.701 4.640 -0.000 0.000 0.228 311 D C -0.262 176.187 176.300 0.248 0.000 1.120 311 D CA 0.762 54.916 54.000 0.257 0.000 1.083 311 D CB 0.091 40.997 40.800 0.177 0.000 1.116 311 D HN 0.169 nan 8.370 nan 0.000 0.487 312 T N 0.361 115.101 114.554 0.309 0.000 2.942 312 T HA 0.350 4.700 4.350 -0.000 0.000 0.327 312 T C -2.741 172.047 174.700 0.147 0.000 1.360 312 T CA -1.416 60.816 62.100 0.221 0.000 1.055 312 T CB 1.701 70.722 68.868 0.254 0.000 1.261 312 T HN -0.147 nan 8.240 nan 0.000 0.485 313 P HA 0.202 nan 4.420 nan 0.000 0.269 313 P C -1.167 176.075 177.300 -0.096 0.000 1.209 313 P CA -0.215 62.898 63.100 0.020 0.000 0.776 313 P CB 0.131 31.845 31.700 0.024 0.000 0.876 314 Y N 4.871 125.027 120.300 -0.239 0.000 2.713 314 Y HA 0.063 4.613 4.550 -0.000 0.000 0.341 314 Y C -1.662 174.101 175.900 -0.230 0.000 1.167 314 Y CA -1.010 56.841 58.100 -0.415 0.000 1.503 314 Y CB -0.013 38.277 38.460 -0.284 0.000 1.199 314 Y HN 0.361 nan 8.280 nan 0.000 0.525 315 P HA 0.117 nan 4.420 nan 0.000 0.279 315 P C -0.537 176.808 177.300 0.074 0.000 1.276 315 P CA 0.054 63.127 63.100 -0.045 0.000 0.801 315 P CB 1.654 33.309 31.700 -0.075 0.000 1.127 316 H N -0.013 119.069 119.070 0.020 0.000 2.348 316 H HA 0.278 4.834 4.556 -0.000 0.000 0.313 316 H C 1.928 177.316 175.328 0.101 0.000 1.051 316 H CA 1.531 57.621 56.048 0.069 0.000 1.420 316 H CB -0.470 29.309 29.762 0.028 0.000 1.484 316 H HN 0.320 nan 8.280 nan 0.000 0.609 317 A N 0.323 123.215 122.820 0.120 0.000 1.930 317 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 317 A C 1.832 179.443 177.584 0.044 0.000 1.175 317 A CA 1.572 53.646 52.037 0.061 0.000 0.627 317 A CB -0.342 18.725 19.000 0.111 0.000 0.815 317 A HN 0.572 nan 8.150 nan 0.000 0.443 318 Q N -0.409 119.409 119.800 0.031 0.000 2.282 318 Q HA 0.141 4.481 4.340 -0.000 0.000 0.205 318 Q C 1.253 177.245 176.000 -0.015 0.000 0.915 318 Q CA 0.546 56.373 55.803 0.040 0.000 0.949 318 Q CB 0.103 28.873 28.738 0.054 0.000 1.035 318 Q HN 0.742 nan 8.270 nan 0.000 0.484 319 E N 0.299 120.392 120.200 -0.179 0.000 2.119 319 E HA -0.254 4.096 4.350 -0.000 0.000 0.221 319 E C 0.479 176.870 176.600 -0.348 0.000 1.062 319 E CA 2.238 58.353 56.400 -0.476 0.000 0.894 319 E CB -0.270 28.768 29.700 -1.103 0.000 0.785 319 E HN 0.627 nan 8.360 nan 0.000 0.472 320 W N -0.704 120.601 121.300 0.008 0.000 2.800 320 W HA 0.280 4.940 4.660 -0.000 0.000 0.249 320 W C 2.084 178.715 176.519 0.187 0.000 1.294 320 W CA 0.110 57.493 57.345 0.064 0.000 1.402 320 W CB 0.061 29.443 29.460 -0.130 0.000 1.126 320 W HN 0.194 nan 8.180 nan 0.000 0.652 321 A N -1.066 121.958 122.820 0.340 0.000 2.132 321 A HA -0.056 4.264 4.320 -0.000 0.000 0.213 321 A C 1.376 179.224 177.584 0.440 0.000 1.154 321 A CA 0.697 52.930 52.037 0.327 0.000 0.753 321 A CB -0.578 18.551 19.000 0.215 0.000 0.826 321 A HN 0.434 nan 8.150 nan 0.000 0.469 322 Y N -0.948 119.491 120.300 0.233 0.000 2.217 322 Y HA 0.284 4.834 4.550 -0.000 0.000 0.286 322 Y C 0.580 176.527 175.900 0.077 0.000 1.117 322 Y CA -0.025 58.198 58.100 0.205 0.000 1.113 322 Y CB -0.321 38.045 38.460 -0.156 0.000 1.053 322 Y HN 0.182 nan 8.280 nan 0.000 0.501 323 F N 5.299 125.328 119.950 0.132 0.000 2.604 323 F HA 0.112 4.639 4.527 -0.000 0.000 0.393 323 F C -2.127 173.694 175.800 0.034 0.000 1.043 323 F CA -2.519 55.569 58.000 0.147 0.000 1.227 323 F CB 0.209 39.405 39.000 0.326 0.000 1.016 323 F HN 0.041 nan 8.300 nan 0.000 0.556 324 P HA 0.160 nan 4.420 nan 0.000 0.273 324 P C -0.060 176.931 177.300 -0.515 0.000 1.319 324 P CA 0.055 62.804 63.100 -0.585 0.000 0.885 324 P CB 0.351 31.669 31.700 -0.636 0.000 1.015 325 G N 4.564 113.293 108.800 -0.118 0.000 2.535 325 G HA2 0.351 4.311 3.960 -0.000 0.000 0.303 325 G HA3 0.351 4.311 3.960 -0.000 0.000 0.303 325 G C -1.736 173.115 174.900 -0.081 0.000 1.237 325 G CA -1.675 43.443 45.100 0.029 0.000 0.986 325 G HN 0.118 nan 8.290 nan 0.000 0.494 326 P HA -0.150 nan 4.420 nan 0.000 0.216 326 P C 2.274 179.540 177.300 -0.056 0.000 1.150 326 P CA 2.189 65.204 63.100 -0.143 0.000 0.843 326 P CB 0.090 31.616 31.700 -0.291 0.000 0.787 327 S N -0.194 115.500 115.700 -0.009 0.000 2.343 327 S HA -0.192 4.278 4.470 -0.000 0.000 0.219 327 S C 2.168 176.766 174.600 -0.003 0.000 1.033 327 S CA 1.067 59.278 58.200 0.019 0.000 1.014 327 S CB -1.179 62.055 63.200 0.057 0.000 0.915 327 S HN -0.014 nan 8.310 nan 0.000 0.435 328 R N 0.640 121.134 120.500 -0.010 0.000 2.096 328 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 328 R C 2.151 178.397 176.300 -0.091 0.000 1.127 328 R CA 1.327 57.404 56.100 -0.037 0.000 0.968 328 R CB -0.526 29.742 30.300 -0.053 0.000 0.861 328 R HN 0.404 nan 8.270 nan 0.000 0.440 329 V N -0.212 119.634 119.914 -0.115 0.000 2.307 329 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 329 V C 2.343 178.387 176.094 -0.084 0.000 1.045 329 V CA 1.997 64.221 62.300 -0.127 0.000 1.024 329 V CB -0.878 30.860 31.823 -0.143 0.000 0.651 329 V HN 0.635 nan 8.190 nan 0.000 0.449 330 G N -0.018 108.746 108.800 -0.060 0.000 2.476 330 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 330 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 330 G C 1.791 176.671 174.900 -0.032 0.000 1.164 330 G CA 1.265 46.342 45.100 -0.038 0.000 0.768 330 G HN 0.617 nan 8.290 nan 0.000 0.560 331 A N 1.097 123.900 122.820 -0.027 0.000 1.948 331 A HA 0.156 4.476 4.320 -0.000 0.000 0.220 331 A C 2.809 180.375 177.584 -0.029 0.000 1.177 331 A CA 2.518 54.543 52.037 -0.020 0.000 0.636 331 A CB -0.768 18.227 19.000 -0.008 0.000 0.815 331 A HN 0.921 nan 8.150 nan 0.000 0.449 332 A N -0.489 122.302 122.820 -0.047 0.000 1.969 332 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 332 A C 2.103 179.657 177.584 -0.049 0.000 1.169 332 A CA 1.283 53.286 52.037 -0.055 0.000 0.635 332 A CB -0.508 18.442 19.000 -0.084 0.000 0.810 332 A HN 0.482 nan 8.150 nan 0.000 0.445 333 L N -0.816 120.379 121.223 -0.048 0.000 2.141 333 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 333 L C 2.474 179.326 176.870 -0.030 0.000 1.094 333 L CA 1.472 56.288 54.840 -0.040 0.000 0.763 333 L CB -0.403 41.633 42.059 -0.039 0.000 0.908 333 L HN 0.348 nan 8.230 nan 0.000 0.437 334 K N 0.143 120.528 120.400 -0.026 0.000 2.103 334 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 334 K C 2.158 178.746 176.600 -0.019 0.000 1.052 334 K CA 0.879 57.155 56.287 -0.019 0.000 0.945 334 K CB -0.029 32.462 32.500 -0.015 0.000 0.722 334 K HN 0.138 nan 8.250 nan 0.000 0.443 335 K N 1.364 121.751 120.400 -0.022 0.000 2.057 335 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 335 K C 2.041 178.628 176.600 -0.023 0.000 1.049 335 K CA 1.533 57.808 56.287 -0.020 0.000 0.931 335 K CB 0.017 32.504 32.500 -0.022 0.000 0.714 335 K HN 0.090 nan 8.250 nan 0.000 0.440 336 V N -2.047 117.850 119.914 -0.028 0.000 2.453 336 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 336 V C 2.227 178.307 176.094 -0.024 0.000 1.048 336 V CA 1.380 63.663 62.300 -0.028 0.000 1.049 336 V CB -0.582 31.222 31.823 -0.033 0.000 0.672 336 V HN 0.129 nan 8.190 nan 0.000 0.457 337 M N -0.180 119.406 119.600 -0.023 0.000 2.686 337 M HA 0.218 4.698 4.480 -0.000 0.000 0.246 337 M C 0.735 177.025 176.300 -0.017 0.000 1.096 337 M CA 0.184 55.472 55.300 -0.020 0.000 1.076 337 M CB -1.712 30.877 32.600 -0.019 0.000 1.504 337 M HN 0.665 nan 8.290 nan 0.000 0.524 338 E N -0.589 119.601 120.200 -0.017 0.000 2.266 338 E HA 0.444 4.794 4.350 -0.000 0.000 0.277 338 E C -0.325 176.267 176.600 -0.015 0.000 1.018 338 E CA -0.459 55.933 56.400 -0.014 0.000 0.840 338 E CB 1.753 31.446 29.700 -0.013 0.000 1.082 338 E HN 0.180 nan 8.360 nan 0.000 0.395 339 V N 0.000 119.906 119.914 -0.013 0.000 2.409 339 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 339 V CA 0.000 62.292 62.300 -0.012 0.000 1.235 339 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 339 V HN 0.000 nan 8.190 nan 0.000 0.556