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 3ndj_1_A DATA FIRST_RESID 10 DATA SEQUENCE PTACRVCGGG VQEFLDLGRQ PLSDRFRKPD ELDDEFTYRL AVGRCDSCEM DATA SEQUENCE VQLTEEVPRD LMFHEVYPYH SSGSSVMREH FAMLARDFLA TELTGPDPFI DATA SEQUENCE VEIGCNDGIM LRTIQEAGVR HLGFEPSSGV AAKAREKGIR VRTDFFEKAT DATA SEQUENCE ADDVRRTEGP ANVIYAANTL CHIPYVQSVL EGVDALLAPD GVFVFEDPYL DATA SEQUENCE GDIVAKTSFD QIYDEHFFLF SATSVQGMAQ RCGFELVDVQ RLPVHGGEVR DATA SEQUENCE YTLARQGSRT PSAAVAQLLA AEREQELSDM ATLRAFAGNV VKIRDELTAL DATA SEQUENCE LHRLRAEGRS VVGYGATAKS ATVTNFCGIG PDLVHSVYDT TPDKQNRLTP DATA SEQUENCE GAHIPVRPAS AFSDPYPDYA LLFAWNHAEE IMAKEQEFHQ AGGRWILYVP DATA SEQUENCE EVHIR 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.321 177.300 0.034 0.000 1.155 10 P CA 0.000 63.116 63.100 0.027 0.000 0.800 10 P CB 0.000 31.716 31.700 0.026 0.000 0.726 11 T N -1.086 113.490 114.554 0.038 0.000 2.899 11 T HA 0.684 5.022 4.350 -0.019 0.000 0.295 11 T C 0.440 175.179 174.700 0.064 0.000 1.033 11 T CA -0.228 61.904 62.100 0.052 0.000 1.084 11 T CB 1.454 70.357 68.868 0.058 0.000 0.979 11 T HN 0.484 nan 8.240 nan 0.000 0.532 12 A N 1.627 124.491 122.820 0.074 0.000 2.301 12 A HA 0.485 4.794 4.320 -0.019 0.000 0.298 12 A C 0.854 178.507 177.584 0.115 0.000 1.185 12 A CA -0.852 51.234 52.037 0.081 0.000 0.830 12 A CB -0.188 18.854 19.000 0.071 0.000 1.112 12 A HN 1.243 nan 8.150 nan 0.000 0.508 13 C N 3.532 122.905 119.300 0.122 0.000 2.538 13 C HA 0.077 4.526 4.460 -0.019 0.000 0.408 13 C C 1.754 176.864 174.990 0.200 0.000 1.421 13 C CA -0.203 58.916 59.018 0.170 0.000 1.642 13 C CB -0.597 27.232 27.740 0.147 0.000 2.553 13 C HN 0.895 nan 8.230 nan 0.000 0.604 14 R N 3.578 124.262 120.500 0.306 0.000 2.280 14 R HA -0.015 4.314 4.340 -0.019 0.000 0.207 14 R C 1.645 178.099 176.300 0.257 0.000 1.043 14 R CA 0.858 57.139 56.100 0.302 0.000 1.006 14 R CB -0.245 30.306 30.300 0.418 0.000 0.885 14 R HN 0.788 nan 8.270 nan 0.000 0.467 15 V N -0.467 119.584 119.914 0.229 0.000 2.436 15 V HA -0.141 3.967 4.120 -0.019 0.000 0.240 15 V C 2.189 178.336 176.094 0.088 0.000 1.040 15 V CA 1.706 64.076 62.300 0.116 0.000 1.052 15 V CB 0.011 31.866 31.823 0.054 0.000 0.707 15 V HN 0.491 nan 8.190 nan 0.000 0.469 16 C N -1.043 118.313 119.300 0.093 0.000 3.403 16 C HA 0.654 5.103 4.460 -0.019 0.000 0.317 16 C C 1.929 176.960 174.990 0.068 0.000 1.346 16 C CA 0.070 59.129 59.018 0.069 0.000 1.743 16 C CB 0.178 27.952 27.740 0.058 0.000 2.308 16 C HN 0.902 nan 8.230 nan 0.000 0.675 17 G N 0.900 109.750 108.800 0.083 0.000 2.184 17 G HA2 0.012 3.961 3.960 -0.019 0.000 0.264 17 G HA3 0.012 3.961 3.960 -0.019 0.000 0.264 17 G C 0.634 175.573 174.900 0.066 0.000 0.975 17 G CA 0.450 45.593 45.100 0.072 0.000 0.642 17 G HN 1.243 nan 8.290 nan 0.000 0.536 18 G N -0.154 108.687 108.800 0.069 0.000 2.631 18 G HA2 0.601 4.550 3.960 -0.019 0.000 0.271 18 G HA3 0.601 4.550 3.960 -0.019 0.000 0.271 18 G C 0.772 175.711 174.900 0.065 0.000 1.302 18 G CA 0.299 45.435 45.100 0.061 0.000 1.002 18 G HN 1.309 nan 8.290 nan 0.000 0.519 19 G N -1.736 107.099 108.800 0.057 0.000 2.372 19 G HA2 0.458 4.407 3.960 -0.019 0.000 0.283 19 G HA3 0.458 4.407 3.960 -0.019 0.000 0.283 19 G C -0.652 174.287 174.900 0.064 0.000 1.177 19 G CA -0.290 44.844 45.100 0.056 0.000 0.842 19 G HN 0.573 nan 8.290 nan 0.000 0.503 20 V N 3.062 123.014 119.914 0.064 0.000 2.370 20 V HA 0.274 4.383 4.120 -0.019 0.000 0.279 20 V C 0.056 176.185 176.094 0.059 0.000 1.029 20 V CA -0.533 61.807 62.300 0.067 0.000 0.870 20 V CB 1.149 33.007 31.823 0.058 0.000 0.984 20 V HN 0.753 nan 8.190 nan 0.000 0.451 21 Q N 3.627 123.476 119.800 0.081 0.000 2.314 21 Q HA 0.396 4.725 4.340 -0.019 0.000 0.259 21 Q C -0.411 175.655 176.000 0.110 0.000 0.951 21 Q CA -0.427 55.427 55.803 0.085 0.000 0.909 21 Q CB 2.128 30.925 28.738 0.099 0.000 1.236 21 Q HN 0.674 nan 8.270 nan 0.000 0.444 22 E N 1.914 122.140 120.200 0.045 0.000 2.373 22 E HA 0.060 4.398 4.350 -0.019 0.000 0.267 22 E C -0.136 176.500 176.600 0.061 0.000 1.032 22 E CA 0.168 56.546 56.400 -0.037 0.000 0.889 22 E CB 0.446 30.103 29.700 -0.072 0.000 0.984 22 E HN 0.588 nan 8.360 nan 0.000 0.425 23 F N 0.711 120.670 119.950 0.015 0.000 2.880 23 F HA 0.355 4.871 4.527 -0.018 0.000 0.346 23 F C -0.472 175.336 175.800 0.014 0.000 1.054 23 F CA -0.690 57.325 58.000 0.025 0.000 1.151 23 F CB 0.601 39.632 39.000 0.052 0.000 1.066 23 F HN 0.220 nan 8.300 nan 0.000 0.566 24 L N 1.940 122.932 121.223 -0.386 0.000 2.470 24 L HA 0.622 4.950 4.340 -0.019 0.000 0.268 24 L C -2.025 174.697 176.870 -0.247 0.000 0.964 24 L CA -0.549 54.149 54.840 -0.237 0.000 0.839 24 L CB 1.885 43.810 42.059 -0.224 0.000 1.276 24 L HN 0.123 nan 8.230 nan 0.000 0.403 25 D N 4.430 124.731 120.400 -0.164 0.000 2.481 25 D HA 0.352 4.980 4.640 -0.019 0.000 0.246 25 D C -0.101 176.119 176.300 -0.132 0.000 1.109 25 D CA -0.142 53.781 54.000 -0.129 0.000 0.845 25 D CB 1.281 42.043 40.800 -0.065 0.000 1.160 25 D HN 0.657 nan 8.370 nan 0.000 0.534 26 L N 3.134 124.247 121.223 -0.183 0.000 2.667 26 L HA 0.423 4.752 4.340 -0.019 0.000 0.232 26 L C 1.405 178.299 176.870 0.041 0.000 1.138 26 L CA 0.169 54.876 54.840 -0.221 0.000 0.921 26 L CB -0.357 41.492 42.059 -0.349 0.000 1.180 26 L HN 0.717 nan 8.230 nan 0.000 0.487 27 G N 0.447 109.241 108.800 -0.010 0.000 2.632 27 G HA2 -0.198 3.751 3.960 -0.019 0.000 0.224 27 G HA3 -0.198 3.751 3.960 -0.019 0.000 0.224 27 G C -0.528 174.300 174.900 -0.120 0.000 1.341 27 G CA -0.886 44.205 45.100 -0.015 0.000 0.880 27 G HN 0.084 nan 8.290 nan 0.000 0.566 28 R N 0.855 121.278 120.500 -0.128 0.000 2.438 28 R HA 0.495 4.823 4.340 -0.019 0.000 0.287 28 R C 0.241 176.396 176.300 -0.241 0.000 1.077 28 R CA 0.023 55.993 56.100 -0.217 0.000 1.034 28 R CB 0.914 31.121 30.300 -0.155 0.000 0.993 28 R HN 0.636 nan 8.270 nan 0.000 0.459 29 Q N 2.671 122.224 119.800 -0.413 0.000 2.389 29 Q HA 0.488 4.817 4.340 -0.019 0.000 0.277 29 Q C -2.360 173.553 176.000 -0.145 0.000 1.082 29 Q CA -1.875 53.754 55.803 -0.289 0.000 0.810 29 Q CB 3.054 31.563 28.738 -0.383 0.000 1.374 29 Q HN 0.334 nan 8.270 nan 0.000 0.422 30 P HA 0.268 nan 4.420 nan 0.000 0.279 30 P C -0.241 177.228 177.300 0.281 0.000 1.276 30 P CA -0.545 62.642 63.100 0.145 0.000 0.801 30 P CB 0.952 32.678 31.700 0.044 0.000 1.127 31 L N 1.055 122.439 121.223 0.269 0.000 2.540 31 L HA -0.034 4.294 4.340 -0.019 0.000 0.276 31 L C 2.094 178.980 176.870 0.026 0.000 1.212 31 L CA 0.181 55.112 54.840 0.151 0.000 0.893 31 L CB -0.104 41.996 42.059 0.070 0.000 1.138 31 L HN 0.502 nan 8.230 nan 0.000 0.491 32 S N 0.201 115.917 115.700 0.025 0.000 2.428 32 S HA -0.090 4.369 4.470 -0.019 0.000 0.230 32 S C 0.913 175.384 174.600 -0.215 0.000 1.014 32 S CA 0.601 58.739 58.200 -0.102 0.000 0.957 32 S CB 0.071 63.214 63.200 -0.095 0.000 0.784 32 S HN 0.698 nan 8.310 nan 0.000 0.499 33 D N 1.120 121.462 120.400 -0.097 0.000 2.463 33 D HA 0.193 4.822 4.640 -0.019 0.000 0.224 33 D C 0.009 176.278 176.300 -0.052 0.000 1.174 33 D CA -0.050 53.937 54.000 -0.021 0.000 0.829 33 D CB 0.238 41.116 40.800 0.129 0.000 0.993 33 D HN 0.402 nan 8.370 nan 0.000 0.497 34 R N 0.948 121.310 120.500 -0.231 0.000 2.198 34 R HA 0.248 4.577 4.340 -0.019 0.000 0.339 34 R C -1.074 174.993 176.300 -0.387 0.000 1.020 34 R CA -0.363 55.660 56.100 -0.127 0.000 0.864 34 R CB -0.007 30.282 30.300 -0.018 0.000 1.105 34 R HN -0.266 nan 8.270 nan 0.000 0.463 35 F N 4.403 124.383 119.950 0.051 0.000 2.332 35 F HA 0.437 4.954 4.527 -0.017 0.000 0.368 35 F C 0.548 176.365 175.800 0.027 0.000 1.110 35 F CA -0.711 57.309 58.000 0.032 0.000 1.087 35 F CB 1.177 40.187 39.000 0.016 0.000 1.235 35 F HN 0.293 nan 8.300 nan 0.000 0.470 36 R N 2.416 122.982 120.500 0.110 0.000 2.441 36 R HA 0.271 4.599 4.340 -0.019 0.000 0.284 36 R C 0.207 176.538 176.300 0.050 0.000 1.070 36 R CA -0.929 55.204 56.100 0.055 0.000 1.047 36 R CB 0.766 31.060 30.300 -0.011 0.000 1.016 36 R HN 0.362 nan 8.270 nan 0.000 0.477 37 K N 2.874 123.294 120.400 0.032 0.000 2.414 37 K HA -0.008 4.300 4.320 -0.019 0.000 0.272 37 K C -1.708 174.886 176.600 -0.010 0.000 0.993 37 K CA -1.222 55.076 56.287 0.017 0.000 0.964 37 K CB 0.562 33.071 32.500 0.015 0.000 0.925 37 K HN 0.338 nan 8.250 nan 0.000 0.487 38 P HA -0.185 nan 4.420 nan 0.000 0.217 38 P C 0.409 177.685 177.300 -0.040 0.000 1.148 38 P CA 1.403 64.485 63.100 -0.029 0.000 0.828 38 P CB 0.185 31.878 31.700 -0.012 0.000 0.783 39 D N -1.773 118.612 120.400 -0.025 0.000 2.339 39 D HA -0.037 4.592 4.640 -0.019 0.000 0.217 39 D C 0.307 176.591 176.300 -0.027 0.000 1.050 39 D CA 0.097 54.083 54.000 -0.023 0.000 0.856 39 D CB -0.810 39.983 40.800 -0.012 0.000 0.922 39 D HN 0.172 nan 8.370 nan 0.000 0.518 40 E N 0.746 120.925 120.200 -0.034 0.000 2.398 40 E HA 0.055 4.394 4.350 -0.019 0.000 0.263 40 E C 0.415 176.991 176.600 -0.041 0.000 1.046 40 E CA -0.608 55.773 56.400 -0.031 0.000 0.908 40 E CB 1.189 30.872 29.700 -0.027 0.000 0.963 40 E HN 0.204 nan 8.360 nan 0.000 0.431 41 L N 2.869 124.079 121.223 -0.022 0.000 2.693 41 L HA -0.139 4.190 4.340 -0.019 0.000 0.292 41 L C 0.486 177.340 176.870 -0.028 0.000 1.243 41 L CA 0.567 55.397 54.840 -0.017 0.000 0.903 41 L CB 0.271 42.330 42.059 -0.001 0.000 1.160 41 L HN 0.635 nan 8.230 nan 0.000 0.496 42 D N 4.006 124.392 120.400 -0.023 0.000 2.688 42 D HA 0.053 4.682 4.640 -0.019 0.000 0.228 42 D C -0.509 175.815 176.300 0.039 0.000 1.116 42 D CA -0.071 53.927 54.000 -0.004 0.000 1.023 42 D CB -0.147 40.667 40.800 0.023 0.000 1.100 42 D HN 0.462 nan 8.370 nan 0.000 0.487 43 D N 1.015 121.436 120.400 0.036 0.000 2.498 43 D HA 0.367 4.995 4.640 -0.019 0.000 0.247 43 D C -0.828 175.514 176.300 0.069 0.000 1.070 43 D CA -0.393 53.636 54.000 0.048 0.000 0.842 43 D CB 1.301 42.124 40.800 0.038 0.000 1.361 43 D HN 0.067 nan 8.370 nan 0.000 0.484 44 E N 1.795 122.044 120.200 0.080 0.000 2.356 44 E HA 0.246 4.584 4.350 -0.019 0.000 0.275 44 E C -0.953 175.723 176.600 0.127 0.000 0.904 44 E CA -1.047 55.421 56.400 0.113 0.000 0.757 44 E CB 1.997 31.769 29.700 0.119 0.000 1.232 44 E HN 0.392 nan 8.360 nan 0.000 0.442 45 F N 2.749 122.724 119.950 0.041 0.000 2.608 45 F HA 0.062 4.579 4.527 -0.017 0.000 0.380 45 F C 0.261 176.112 175.800 0.085 0.000 1.083 45 F CA 0.635 58.668 58.000 0.056 0.000 1.266 45 F CB 0.445 39.477 39.000 0.054 0.000 1.076 45 F HN 0.331 nan 8.300 nan 0.000 0.574 46 T N 3.941 118.155 114.554 -0.567 0.000 2.887 46 T HA 0.712 5.050 4.350 -0.019 0.000 0.292 46 T C -1.067 173.324 174.700 -0.515 0.000 1.087 46 T CA -0.593 61.298 62.100 -0.349 0.000 1.009 46 T CB 2.018 70.757 68.868 -0.214 0.000 1.203 46 T HN 0.769 nan 8.240 nan 0.000 0.518 47 Y N -1.347 118.788 120.300 -0.275 0.000 2.670 47 Y HA 0.744 5.287 4.550 -0.012 0.000 0.334 47 Y C -0.711 175.147 175.900 -0.070 0.000 1.185 47 Y CA -1.644 56.358 58.100 -0.164 0.000 1.053 47 Y CB 1.405 39.884 38.460 0.031 0.000 1.298 47 Y HN 0.888 nan 8.280 nan 0.000 0.459 48 R N 2.357 122.766 120.500 -0.152 0.000 2.207 48 R HA 0.529 4.857 4.340 -0.019 0.000 0.334 48 R C -1.725 174.486 176.300 -0.149 0.000 1.013 48 R CA -0.772 55.209 56.100 -0.199 0.000 0.858 48 R CB 0.870 31.133 30.300 -0.062 0.000 1.094 48 R HN 0.803 nan 8.270 nan 0.000 0.457 49 L N 4.689 125.740 121.223 -0.287 0.000 2.257 49 L HA 0.617 4.946 4.340 -0.019 0.000 0.290 49 L C -1.258 175.559 176.870 -0.089 0.000 1.044 49 L CA 0.161 54.948 54.840 -0.088 0.000 0.810 49 L CB 1.204 43.186 42.059 -0.129 0.000 1.193 49 L HN 0.801 nan 8.230 nan 0.000 0.425 50 A N 4.466 127.238 122.820 -0.080 0.000 2.549 50 A HA 0.848 5.156 4.320 -0.019 0.000 0.297 50 A C -1.645 175.802 177.584 -0.229 0.000 1.061 50 A CA -0.573 51.369 52.037 -0.158 0.000 0.690 50 A CB 1.762 20.686 19.000 -0.127 0.000 1.287 50 A HN 0.470 nan 8.150 nan 0.000 0.402 51 V N 0.294 119.975 119.914 -0.389 0.000 2.823 51 V HA 0.939 5.047 4.120 -0.019 0.000 0.312 51 V C 0.571 176.217 176.094 -0.747 0.000 1.072 51 V CA 0.088 62.075 62.300 -0.521 0.000 0.937 51 V CB 1.771 33.252 31.823 -0.570 0.000 1.013 51 V HN 1.611 nan 8.190 nan 0.000 0.430 52 G N 1.880 110.444 108.800 -0.393 0.000 2.727 52 G HA2 0.728 4.677 3.960 -0.019 0.000 0.289 52 G HA3 0.728 4.677 3.960 -0.019 0.000 0.289 52 G C -1.707 173.322 174.900 0.215 0.000 1.418 52 G CA -0.878 44.174 45.100 -0.079 0.000 0.818 52 G HN 0.656 nan 8.290 nan 0.000 0.486 53 R N -0.696 119.967 120.500 0.273 0.000 2.561 53 R HA 0.469 4.798 4.340 -0.019 0.000 0.297 53 R C -0.515 175.864 176.300 0.132 0.000 0.969 53 R CA -0.553 55.671 56.100 0.207 0.000 0.879 53 R CB 1.535 31.945 30.300 0.184 0.000 1.178 53 R HN 0.695 nan 8.270 nan 0.000 0.445 54 C N 3.869 123.239 119.300 0.117 0.000 2.653 54 C HA 0.091 4.539 4.460 -0.019 0.000 0.421 54 C C 1.309 176.345 174.990 0.077 0.000 1.334 54 C CA -0.178 58.899 59.018 0.098 0.000 1.885 54 C CB -0.078 27.726 27.740 0.107 0.000 2.645 54 C HN 0.830 nan 8.230 nan 0.000 0.601 55 D N 2.179 122.619 120.400 0.066 0.000 2.269 55 D HA -0.030 4.598 4.640 -0.019 0.000 0.208 55 D C 2.020 178.347 176.300 0.045 0.000 0.963 55 D CA 1.220 55.251 54.000 0.052 0.000 0.864 55 D CB 0.263 41.091 40.800 0.047 0.000 0.936 55 D HN 0.699 nan 8.370 nan 0.000 0.505 56 S N -0.560 115.170 115.700 0.050 0.000 2.460 56 S HA -0.039 4.419 4.470 -0.019 0.000 0.226 56 S C 2.044 176.669 174.600 0.042 0.000 1.057 56 S CA 0.586 58.812 58.200 0.043 0.000 0.948 56 S CB 0.406 63.632 63.200 0.044 0.000 0.822 56 S HN 0.548 nan 8.310 nan 0.000 0.512 57 C N 0.855 120.185 119.300 0.050 0.000 3.336 57 C HA 0.508 4.956 4.460 -0.019 0.000 0.291 57 C C 0.659 175.678 174.990 0.049 0.000 1.363 57 C CA -0.355 58.690 59.018 0.045 0.000 1.737 57 C CB -0.771 26.995 27.740 0.045 0.000 2.274 57 C HN 0.555 nan 8.230 nan 0.000 0.663 58 E N -0.949 119.285 120.200 0.057 0.000 3.673 58 E HA -0.290 4.048 4.350 -0.019 0.000 0.309 58 E C 0.148 176.797 176.600 0.081 0.000 0.819 58 E CA 0.863 57.298 56.400 0.059 0.000 1.111 58 E CB -1.489 28.235 29.700 0.041 0.000 1.561 58 E HN 0.684 nan 8.360 nan 0.000 0.450 59 M N 1.880 121.541 119.600 0.101 0.000 2.303 59 M HA 0.061 4.529 4.480 -0.019 0.000 0.350 59 M C -0.469 175.936 176.300 0.175 0.000 1.518 59 M CA 0.436 55.825 55.300 0.148 0.000 1.070 59 M CB 0.714 33.413 32.600 0.165 0.000 1.910 59 M HN -0.024 nan 8.290 nan 0.000 0.458 60 V N 7.673 127.692 119.914 0.174 0.000 2.461 60 V HA 0.399 4.507 4.120 -0.019 0.000 0.275 60 V C 0.086 176.244 176.094 0.107 0.000 1.047 60 V CA -0.220 62.180 62.300 0.166 0.000 0.955 60 V CB 0.773 32.688 31.823 0.155 0.000 0.988 60 V HN 0.889 nan 8.190 nan 0.000 0.471 61 Q N 4.684 124.456 119.800 -0.047 0.000 2.482 61 Q HA 0.616 4.945 4.340 -0.019 0.000 0.286 61 Q C -1.490 174.151 176.000 -0.600 0.000 1.007 61 Q CA -1.062 54.481 55.803 -0.432 0.000 0.801 61 Q CB 2.064 30.538 28.738 -0.440 0.000 1.455 61 Q HN 0.469 nan 8.270 nan 0.000 0.398 62 L N 1.192 121.785 121.223 -1.049 0.000 2.473 62 L HA 0.182 4.510 4.340 -0.019 0.000 0.268 62 L C 1.442 178.061 176.870 -0.418 0.000 1.215 62 L CA 0.416 54.867 54.840 -0.648 0.000 0.823 62 L CB 0.551 42.289 42.059 -0.534 0.000 1.099 62 L HN 1.051 nan 8.230 nan 0.000 0.483 63 T N -3.228 111.227 114.554 -0.165 0.000 3.044 63 T HA 0.082 4.421 4.350 -0.019 0.000 0.250 63 T C 0.412 175.149 174.700 0.061 0.000 1.081 63 T CA -0.070 62.004 62.100 -0.043 0.000 1.040 63 T CB 0.184 69.021 68.868 -0.052 0.000 0.962 63 T HN 0.590 nan 8.240 nan 0.000 0.506 64 E N 0.971 121.236 120.200 0.109 0.000 2.224 64 E HA 0.290 4.629 4.350 -0.019 0.000 0.265 64 E C -1.285 175.431 176.600 0.193 0.000 0.878 64 E CA -0.522 55.975 56.400 0.162 0.000 0.759 64 E CB 1.588 31.408 29.700 0.199 0.000 1.164 64 E HN 0.396 nan 8.360 nan 0.000 0.414 65 E N 2.116 122.406 120.200 0.150 0.000 2.313 65 E HA 0.215 4.554 4.350 -0.019 0.000 0.276 65 E C -0.611 175.956 176.600 -0.056 0.000 1.031 65 E CA -0.546 55.871 56.400 0.028 0.000 0.857 65 E CB 1.802 31.429 29.700 -0.121 0.000 1.040 65 E HN 0.203 nan 8.360 nan 0.000 0.408 66 V N 4.916 124.725 119.914 -0.175 0.000 2.498 66 V HA 0.174 4.282 4.120 -0.019 0.000 0.279 66 V C -2.039 173.934 176.094 -0.201 0.000 1.048 66 V CA -1.875 60.289 62.300 -0.226 0.000 0.967 66 V CB 0.793 32.369 31.823 -0.412 0.000 0.988 66 V HN 0.613 nan 8.190 nan 0.000 0.473 67 P HA 0.114 nan 4.420 nan 0.000 0.265 67 P C 0.881 178.081 177.300 -0.166 0.000 1.193 67 P CA -0.265 62.740 63.100 -0.159 0.000 0.765 67 P CB 0.401 32.018 31.700 -0.139 0.000 0.823 68 R N 2.972 123.401 120.500 -0.119 0.000 2.113 68 R HA -0.224 4.104 4.340 -0.019 0.000 0.244 68 R C 0.626 176.961 176.300 0.058 0.000 1.142 68 R CA 1.911 57.990 56.100 -0.034 0.000 0.953 68 R CB -1.021 29.159 30.300 -0.200 0.000 0.860 68 R HN 0.337 nan 8.270 nan 0.000 0.438 69 D N 0.415 120.838 120.400 0.037 0.000 2.348 69 D HA -0.042 4.586 4.640 -0.019 0.000 0.216 69 D C 1.648 178.023 176.300 0.125 0.000 0.970 69 D CA 0.677 54.784 54.000 0.179 0.000 0.889 69 D CB 0.130 41.007 40.800 0.127 0.000 0.912 69 D HN 0.217 nan 8.370 nan 0.000 0.524 70 L N -0.262 120.929 121.223 -0.053 0.000 2.341 70 L HA 0.080 4.408 4.340 -0.019 0.000 0.214 70 L C 2.292 179.131 176.870 -0.052 0.000 1.115 70 L CA 0.825 55.595 54.840 -0.116 0.000 0.820 70 L CB -0.105 41.704 42.059 -0.417 0.000 0.944 70 L HN -0.034 nan 8.230 nan 0.000 0.452 71 M N -2.326 117.118 119.600 -0.259 0.000 2.447 71 M HA 0.097 4.565 4.480 -0.019 0.000 0.266 71 M C -0.481 175.387 176.300 -0.719 0.000 1.120 71 M CA 0.743 55.694 55.300 -0.582 0.000 1.166 71 M CB 0.389 32.279 32.600 -1.185 0.000 1.349 71 M HN -0.112 nan 8.290 nan 0.000 0.463 72 F N 0.733 120.611 119.950 -0.120 0.000 2.499 72 F HA 0.446 4.963 4.527 -0.017 0.000 0.333 72 F C -0.037 175.691 175.800 -0.119 0.000 1.138 72 F CA -1.266 56.547 58.000 -0.312 0.000 0.945 72 F CB 0.633 39.583 39.000 -0.082 0.000 1.181 72 F HN 0.194 nan 8.300 nan 0.000 0.435 73 H N -0.687 118.519 119.070 0.226 0.000 2.916 73 H HA 0.369 4.913 4.556 -0.020 0.000 0.260 73 H C 0.221 175.641 175.328 0.153 0.000 1.502 73 H CA -0.931 55.209 56.048 0.153 0.000 1.171 73 H CB 0.206 30.048 29.762 0.134 0.000 1.885 73 H HN 0.104 nan 8.280 nan 0.000 0.641 74 E N -0.262 120.186 120.200 0.414 0.000 2.153 74 E HA -0.034 4.304 4.350 -0.019 0.000 0.194 74 E C 1.502 178.278 176.600 0.294 0.000 0.988 74 E CA 2.143 58.694 56.400 0.251 0.000 0.811 74 E CB 0.101 29.898 29.700 0.162 0.000 0.746 74 E HN 0.462 nan 8.360 nan 0.000 0.466 75 V N -2.182 118.020 119.914 0.481 0.000 3.214 75 V HA 0.234 4.342 4.120 -0.019 0.000 0.330 75 V C 0.169 176.493 176.094 0.384 0.000 1.403 75 V CA -0.763 61.753 62.300 0.360 0.000 1.143 75 V CB -1.195 30.783 31.823 0.259 0.000 1.098 75 V HN 0.124 nan 8.190 nan 0.000 0.463 76 Y N 3.962 124.351 120.300 0.148 0.000 2.810 76 Y HA 0.234 4.772 4.550 -0.020 0.000 0.332 76 Y C -0.988 175.001 175.900 0.148 0.000 1.243 76 Y CA -0.637 57.490 58.100 0.045 0.000 1.537 76 Y CB 1.279 39.725 38.460 -0.023 0.000 1.265 76 Y HN 0.229 nan 8.280 nan 0.000 0.572 77 P HA -0.028 nan 4.420 nan 0.000 0.275 77 P C -0.865 176.423 177.300 -0.022 0.000 1.310 77 P CA 0.246 63.316 63.100 -0.049 0.000 0.904 77 P CB 0.136 31.867 31.700 0.051 0.000 1.381 78 Y N 2.175 122.196 120.300 -0.464 0.000 2.377 78 Y HA 0.265 4.804 4.550 -0.019 0.000 0.330 78 Y C -0.286 175.589 175.900 -0.043 0.000 1.108 78 Y CA -0.224 57.792 58.100 -0.139 0.000 1.308 78 Y CB 0.138 38.541 38.460 -0.095 0.000 1.216 78 Y HN -0.051 nan 8.280 nan 0.000 0.518 79 H N 3.423 122.112 119.070 -0.634 0.000 2.685 79 H HA 0.284 4.828 4.556 -0.020 0.000 0.307 79 H C 1.059 175.978 175.328 -0.683 0.000 1.017 79 H CA -0.152 55.627 56.048 -0.449 0.000 1.237 79 H CB 1.558 31.180 29.762 -0.234 0.000 1.409 79 H HN 0.747 nan 8.280 nan 0.000 0.488 80 S N 1.341 116.799 115.700 -0.403 0.000 2.387 80 S HA -0.181 4.277 4.470 -0.019 0.000 0.230 80 S C 1.725 176.315 174.600 -0.017 0.000 1.035 80 S CA 1.665 59.776 58.200 -0.148 0.000 1.014 80 S CB -0.021 63.229 63.200 0.084 0.000 0.836 80 S HN 0.550 nan 8.310 nan 0.000 0.466 81 S N 0.760 116.456 115.700 -0.007 0.000 2.660 81 S HA 0.135 4.594 4.470 -0.019 0.000 0.223 81 S C 1.736 176.338 174.600 0.004 0.000 0.963 81 S CA 0.336 58.559 58.200 0.039 0.000 0.932 81 S CB -0.121 63.106 63.200 0.045 0.000 0.775 81 S HN 0.644 nan 8.310 nan 0.000 0.531 82 G N 1.057 109.826 108.800 -0.052 0.000 2.679 82 G HA2 0.010 3.958 3.960 -0.019 0.000 0.212 82 G HA3 0.010 3.958 3.960 -0.019 0.000 0.212 82 G C 0.382 175.238 174.900 -0.074 0.000 1.137 82 G CA 0.126 45.181 45.100 -0.075 0.000 0.787 82 G HN 0.474 nan 8.290 nan 0.000 0.534 83 S N -0.395 115.283 115.700 -0.036 0.000 2.478 83 S HA 0.435 4.894 4.470 -0.019 0.000 0.312 83 S C 1.545 176.161 174.600 0.027 0.000 1.094 83 S CA 0.257 58.430 58.200 -0.044 0.000 1.081 83 S CB 1.645 64.842 63.200 -0.005 0.000 1.007 83 S HN 0.275 nan 8.310 nan 0.000 0.475 84 S N 4.465 120.173 115.700 0.012 0.000 2.371 84 S HA -0.080 4.378 4.470 -0.019 0.000 0.224 84 S C 1.782 176.406 174.600 0.041 0.000 1.029 84 S CA 1.269 59.487 58.200 0.030 0.000 0.978 84 S CB -0.891 62.319 63.200 0.016 0.000 0.833 84 S HN 0.586 nan 8.310 nan 0.000 0.466 85 V N 2.336 122.270 119.914 0.033 0.000 2.278 85 V HA -0.207 3.901 4.120 -0.019 0.000 0.251 85 V C 2.721 178.832 176.094 0.029 0.000 1.062 85 V CA 2.180 64.492 62.300 0.020 0.000 1.038 85 V CB -0.779 31.045 31.823 0.002 0.000 0.646 85 V HN 0.489 nan 8.190 nan 0.000 0.447 86 M N -1.041 118.600 119.600 0.070 0.000 2.349 86 M HA -0.022 4.446 4.480 -0.019 0.000 0.266 86 M C 2.211 178.654 176.300 0.237 0.000 1.076 86 M CA 1.265 56.628 55.300 0.105 0.000 1.126 86 M CB -1.254 31.501 32.600 0.258 0.000 1.392 86 M HN 0.290 nan 8.290 nan 0.000 0.440 87 R N 0.918 121.537 120.500 0.199 0.000 2.091 87 R HA -0.183 4.146 4.340 -0.019 0.000 0.238 87 R C 2.170 178.559 176.300 0.149 0.000 1.136 87 R CA 1.844 58.061 56.100 0.196 0.000 0.959 87 R CB -0.352 30.017 30.300 0.116 0.000 0.856 87 R HN 0.625 nan 8.270 nan 0.000 0.437 88 E N -0.424 119.829 120.200 0.087 0.000 2.106 88 E HA -0.262 4.077 4.350 -0.019 0.000 0.192 88 E C 1.839 178.446 176.600 0.012 0.000 0.984 88 E CA 1.561 57.985 56.400 0.041 0.000 0.806 88 E CB -0.454 29.258 29.700 0.021 0.000 0.750 88 E HN 0.502 nan 8.360 nan 0.000 0.458 89 H N 0.110 119.112 119.070 -0.113 0.000 2.326 89 H HA -0.101 4.443 4.556 -0.019 0.000 0.301 89 H C 1.485 176.666 175.328 -0.245 0.000 1.081 89 H CA 1.954 57.851 56.048 -0.251 0.000 1.334 89 H CB -0.172 29.333 29.762 -0.429 0.000 1.385 89 H HN 0.132 nan 8.280 nan 0.000 0.504 90 F N 0.161 120.128 119.950 0.028 0.000 2.293 90 F HA 0.179 4.694 4.527 -0.020 0.000 0.297 90 F C 2.686 178.431 175.800 -0.093 0.000 1.089 90 F CA 0.816 58.793 58.000 -0.038 0.000 1.377 90 F CB -0.790 38.281 39.000 0.117 0.000 1.051 90 F HN 0.355 nan 8.300 nan 0.000 0.511 91 A N -0.040 122.847 122.820 0.113 0.000 1.902 91 A HA -0.229 4.079 4.320 -0.019 0.000 0.217 91 A C 2.266 179.823 177.584 -0.045 0.000 1.181 91 A CA 1.788 53.845 52.037 0.033 0.000 0.623 91 A CB -0.828 18.191 19.000 0.030 0.000 0.818 91 A HN 0.415 nan 8.150 nan 0.000 0.443 92 M N -0.566 118.974 119.600 -0.100 0.000 2.175 92 M HA -0.062 4.406 4.480 -0.019 0.000 0.264 92 M C 1.969 178.135 176.300 -0.223 0.000 1.063 92 M CA 1.525 56.735 55.300 -0.151 0.000 1.119 92 M CB -0.123 32.374 32.600 -0.172 0.000 1.377 92 M HN 0.416 nan 8.290 nan 0.000 0.415 93 L N 0.619 121.658 121.223 -0.307 0.000 2.046 93 L HA -0.138 4.191 4.340 -0.019 0.000 0.208 93 L C 2.393 179.047 176.870 -0.360 0.000 1.077 93 L CA 2.275 56.861 54.840 -0.423 0.000 0.747 93 L CB -1.333 40.465 42.059 -0.436 0.000 0.896 93 L HN 0.457 nan 8.230 nan 0.000 0.432 94 A N 0.317 123.045 122.820 -0.153 0.000 1.902 94 A HA -0.231 4.078 4.320 -0.019 0.000 0.217 94 A C 2.286 179.860 177.584 -0.016 0.000 1.181 94 A CA 1.594 53.617 52.037 -0.023 0.000 0.623 94 A CB -0.529 18.472 19.000 0.002 0.000 0.818 94 A HN 0.502 nan 8.150 nan 0.000 0.443 95 R N -0.427 120.038 120.500 -0.058 0.000 2.096 95 R HA -0.121 4.207 4.340 -0.019 0.000 0.235 95 R C 1.613 177.880 176.300 -0.055 0.000 1.127 95 R CA 1.418 57.493 56.100 -0.041 0.000 0.968 95 R CB -0.470 29.799 30.300 -0.051 0.000 0.861 95 R HN 0.474 nan 8.270 nan 0.000 0.440 96 D N 0.295 120.613 120.400 -0.137 0.000 2.104 96 D HA -0.157 4.472 4.640 -0.019 0.000 0.194 96 D C 1.674 177.922 176.300 -0.087 0.000 0.994 96 D CA 1.208 55.108 54.000 -0.166 0.000 0.830 96 D CB -0.236 40.384 40.800 -0.300 0.000 0.959 96 D HN 0.067 nan 8.370 nan 0.000 0.452 97 F N 0.664 120.562 119.950 -0.087 0.000 2.216 97 F HA -0.017 4.498 4.527 -0.020 0.000 0.300 97 F C 2.344 178.120 175.800 -0.039 0.000 1.085 97 F CA 0.348 58.307 58.000 -0.068 0.000 1.326 97 F CB -0.743 38.200 39.000 -0.097 0.000 1.027 97 F HN -0.040 nan 8.300 nan 0.000 0.497 98 L N -0.857 120.459 121.223 0.155 0.000 2.131 98 L HA -0.167 4.161 4.340 -0.019 0.000 0.210 98 L C 2.448 179.355 176.870 0.063 0.000 1.092 98 L CA 1.211 56.104 54.840 0.088 0.000 0.759 98 L CB -0.778 41.313 42.059 0.053 0.000 0.903 98 L HN 0.093 nan 8.230 nan 0.000 0.435 99 A N -1.148 121.700 122.820 0.045 0.000 2.178 99 A HA -0.011 4.297 4.320 -0.019 0.000 0.211 99 A C 1.987 179.593 177.584 0.035 0.000 1.157 99 A CA 1.305 53.358 52.037 0.027 0.000 0.780 99 A CB -0.376 18.624 19.000 0.001 0.000 0.828 99 A HN 0.499 nan 8.150 nan 0.000 0.476 100 T N -4.264 110.328 114.554 0.064 0.000 3.393 100 T HA 0.116 4.455 4.350 -0.019 0.000 0.231 100 T C 1.284 176.037 174.700 0.088 0.000 0.983 100 T CA 0.495 62.637 62.100 0.069 0.000 1.272 100 T CB -0.173 68.737 68.868 0.070 0.000 1.214 100 T HN 0.116 nan 8.240 nan 0.000 0.368 101 E N 1.359 121.641 120.200 0.137 0.000 2.371 101 E HA 0.234 4.572 4.350 -0.019 0.000 0.194 101 E C 0.993 177.626 176.600 0.057 0.000 1.012 101 E CA 0.370 56.828 56.400 0.098 0.000 0.860 101 E CB 0.209 29.976 29.700 0.113 0.000 0.811 101 E HN 0.541 nan 8.360 nan 0.000 0.502 102 L N 1.584 122.846 121.223 0.066 0.000 3.154 102 L HA 0.153 4.482 4.340 -0.019 0.000 0.266 102 L C 0.160 177.062 176.870 0.054 0.000 1.300 102 L CA -0.156 54.715 54.840 0.051 0.000 1.028 102 L CB 0.395 42.485 42.059 0.051 0.000 1.412 102 L HN -0.094 nan 8.230 nan 0.000 0.564 103 T N -2.567 112.017 114.554 0.050 0.000 3.145 103 T HA 0.688 5.027 4.350 -0.019 0.000 0.362 103 T C 0.249 174.973 174.700 0.040 0.000 1.340 103 T CA -0.519 61.606 62.100 0.042 0.000 1.069 103 T CB 1.263 70.153 68.868 0.037 0.000 1.129 103 T HN 0.243 nan 8.240 nan 0.000 0.585 104 G N 2.641 111.466 108.800 0.042 0.000 2.866 104 G HA2 0.666 4.614 3.960 -0.019 0.000 0.289 104 G HA3 0.666 4.614 3.960 -0.019 0.000 0.289 104 G C -1.935 172.986 174.900 0.035 0.000 1.396 104 G CA -1.455 43.668 45.100 0.038 0.000 0.848 104 G HN 0.229 nan 8.290 nan 0.000 0.515 105 P HA 0.092 nan 4.420 nan 0.000 0.219 105 P C -0.166 177.150 177.300 0.026 0.000 1.150 105 P CA 1.320 64.434 63.100 0.024 0.000 0.814 105 P CB 0.517 32.228 31.700 0.018 0.000 0.787 106 D N -0.542 119.878 120.400 0.033 0.000 2.978 106 D HA 0.166 4.794 4.640 -0.019 0.000 0.268 106 D C -2.548 173.790 176.300 0.064 0.000 1.252 106 D CA -1.745 52.276 54.000 0.035 0.000 0.771 106 D CB 0.507 41.313 40.800 0.010 0.000 1.361 106 D HN 0.012 nan 8.370 nan 0.000 0.558 107 P HA 0.298 nan 4.420 nan 0.000 0.273 107 P C -0.677 176.759 177.300 0.227 0.000 1.250 107 P CA -0.393 62.781 63.100 0.123 0.000 0.793 107 P CB 0.847 32.602 31.700 0.091 0.000 1.011 108 F N 0.739 120.700 119.950 0.019 0.000 2.605 108 F HA 0.540 5.056 4.527 -0.019 0.000 0.320 108 F C -1.400 174.413 175.800 0.022 0.000 1.159 108 F CA -1.142 56.875 58.000 0.029 0.000 0.999 108 F CB 1.375 40.391 39.000 0.027 0.000 1.258 108 F HN 0.186 nan 8.300 nan 0.000 0.464 109 I N 7.478 127.923 120.570 -0.209 0.000 2.465 109 I HA 0.621 4.779 4.170 -0.019 0.000 0.291 109 I C -1.677 174.185 176.117 -0.426 0.000 1.014 109 I CA -0.726 60.389 61.300 -0.308 0.000 1.093 109 I CB 1.658 39.555 38.000 -0.172 0.000 1.267 109 I HN 0.376 nan 8.210 nan 0.000 0.431 110 V N 7.111 126.789 119.914 -0.392 0.000 2.398 110 V HA 0.395 4.503 4.120 -0.019 0.000 0.286 110 V C -0.194 175.896 176.094 -0.007 0.000 1.026 110 V CA -0.531 61.662 62.300 -0.179 0.000 0.868 110 V CB 1.573 33.312 31.823 -0.139 0.000 0.982 110 V HN 0.728 nan 8.190 nan 0.000 0.443 111 E N 4.429 124.690 120.200 0.102 0.000 2.166 111 E HA 0.524 4.862 4.350 -0.019 0.000 0.275 111 E C -1.104 175.570 176.600 0.124 0.000 0.941 111 E CA -0.702 55.776 56.400 0.129 0.000 0.784 111 E CB 1.448 31.243 29.700 0.159 0.000 1.115 111 E HN 0.631 nan 8.360 nan 0.000 0.399 112 I N 3.854 124.413 120.570 -0.018 0.000 2.312 112 I HA 0.291 4.450 4.170 -0.019 0.000 0.291 112 I C 0.779 176.851 176.117 -0.074 0.000 1.031 112 I CA 0.112 61.357 61.300 -0.091 0.000 1.293 112 I CB 1.182 38.977 38.000 -0.342 0.000 1.403 112 I HN 0.903 nan 8.210 nan 0.000 0.484 113 G N 4.536 113.316 108.800 -0.033 0.000 2.341 113 G HA2 -0.244 3.704 3.960 -0.019 0.000 0.278 113 G HA3 -0.244 3.704 3.960 -0.019 0.000 0.278 113 G C 0.700 175.562 174.900 -0.063 0.000 1.111 113 G CA 0.032 45.070 45.100 -0.103 0.000 0.982 113 G HN 0.967 nan 8.290 nan 0.000 0.502 114 C N -0.991 118.302 119.300 -0.012 0.000 2.437 114 C HA 0.164 4.612 4.460 -0.019 0.000 0.283 114 C C 1.819 176.788 174.990 -0.035 0.000 1.424 114 C CA 0.545 59.554 59.018 -0.016 0.000 1.782 114 C CB -1.369 26.383 27.740 0.019 0.000 1.833 114 C HN 1.169 nan 8.230 nan 0.000 0.532 115 N N 2.308 120.993 118.700 -0.025 0.000 1.149 115 N HA -0.306 4.422 4.740 -0.019 0.000 0.118 115 N C 0.104 175.598 175.510 -0.027 0.000 0.756 115 N CA 2.602 55.646 53.050 -0.010 0.000 0.861 115 N CB -1.400 37.107 38.487 0.033 0.000 1.099 115 N HN 0.704 nan 8.380 nan 0.000 0.597 116 D N 0.376 120.754 120.400 -0.037 0.000 2.338 116 D HA 0.242 4.870 4.640 -0.019 0.000 0.239 116 D C 1.228 177.526 176.300 -0.003 0.000 1.095 116 D CA 1.345 55.335 54.000 -0.017 0.000 0.888 116 D CB -0.729 40.074 40.800 0.004 0.000 0.899 116 D HN 0.988 nan 8.370 nan 0.000 0.525 117 G N 0.383 109.172 108.800 -0.018 0.000 2.141 117 G HA2 -0.332 3.616 3.960 -0.019 0.000 0.231 117 G HA3 -0.332 3.616 3.960 -0.019 0.000 0.231 117 G C 0.781 175.666 174.900 -0.025 0.000 0.984 117 G CA 0.122 45.210 45.100 -0.020 0.000 0.660 117 G HN 0.449 nan 8.290 nan 0.000 0.525 118 I N -0.509 120.042 120.570 -0.031 0.000 2.236 118 I HA -0.230 3.928 4.170 -0.019 0.000 0.249 118 I C 2.466 178.591 176.117 0.013 0.000 1.102 118 I CA 2.486 63.789 61.300 0.006 0.000 1.365 118 I CB 0.001 38.013 38.000 0.020 0.000 1.051 118 I HN 0.443 nan 8.210 nan 0.000 0.420 119 M N -0.110 119.442 119.600 -0.081 0.000 2.557 119 M HA 0.017 4.485 4.480 -0.019 0.000 0.262 119 M C 2.081 178.364 176.300 -0.029 0.000 1.168 119 M CA 1.466 56.755 55.300 -0.019 0.000 1.194 119 M CB -0.469 32.091 32.600 -0.066 0.000 1.311 119 M HN 0.199 nan 8.290 nan 0.000 0.489 120 L N 0.856 122.044 121.223 -0.058 0.000 2.201 120 L HA -0.177 4.152 4.340 -0.019 0.000 0.212 120 L C 2.539 179.310 176.870 -0.165 0.000 1.105 120 L CA 1.102 55.869 54.840 -0.122 0.000 0.775 120 L CB -0.645 41.338 42.059 -0.126 0.000 0.913 120 L HN 0.399 nan 8.230 nan 0.000 0.440 121 R N -0.494 119.952 120.500 -0.089 0.000 2.103 121 R HA -0.189 4.139 4.340 -0.019 0.000 0.242 121 R C 1.853 178.113 176.300 -0.066 0.000 1.142 121 R CA 2.072 58.130 56.100 -0.070 0.000 0.960 121 R CB -1.328 28.959 30.300 -0.021 0.000 0.858 121 R HN 0.100 nan 8.270 nan 0.000 0.439 122 T N 1.161 115.689 114.554 -0.043 0.000 2.915 122 T HA 0.038 4.377 4.350 -0.019 0.000 0.269 122 T C 1.793 176.470 174.700 -0.039 0.000 1.071 122 T CA 0.972 63.057 62.100 -0.025 0.000 1.132 122 T CB -0.009 68.856 68.868 -0.005 0.000 0.878 122 T HN 0.131 nan 8.240 nan 0.000 0.479 123 I N 1.219 121.741 120.570 -0.081 0.000 2.333 123 I HA -0.036 4.122 4.170 -0.019 0.000 0.246 123 I C 2.605 178.664 176.117 -0.096 0.000 1.106 123 I CA 1.027 62.282 61.300 -0.075 0.000 1.411 123 I CB -1.170 36.762 38.000 -0.113 0.000 1.082 123 I HN 0.246 nan 8.210 nan 0.000 0.420 124 Q N 1.630 121.299 119.800 -0.219 0.000 2.084 124 Q HA -0.220 4.108 4.340 -0.019 0.000 0.202 124 Q C 1.754 177.752 176.000 -0.003 0.000 0.978 124 Q CA 1.634 57.366 55.803 -0.120 0.000 0.844 124 Q CB 0.002 28.648 28.738 -0.154 0.000 0.898 124 Q HN 0.545 nan 8.270 nan 0.000 0.426 125 E N -0.492 119.697 120.200 -0.018 0.000 2.418 125 E HA -0.047 4.291 4.350 -0.019 0.000 0.197 125 E C 1.347 177.956 176.600 0.014 0.000 1.026 125 E CA 0.548 56.950 56.400 0.005 0.000 0.862 125 E CB 0.080 29.780 29.700 -0.000 0.000 0.799 125 E HN 0.385 nan 8.360 nan 0.000 0.518 126 A N 0.168 122.998 122.820 0.016 0.000 2.251 126 A HA 0.282 4.590 4.320 -0.019 0.000 0.209 126 A C 1.689 179.300 177.584 0.044 0.000 1.187 126 A CA 0.653 52.707 52.037 0.028 0.000 0.823 126 A CB -0.164 18.852 19.000 0.028 0.000 0.846 126 A HN 0.291 nan 8.150 nan 0.000 0.486 127 G N -1.278 107.556 108.800 0.058 0.000 2.148 127 G HA2 -0.197 3.751 3.960 -0.019 0.000 0.254 127 G HA3 -0.197 3.751 3.960 -0.019 0.000 0.254 127 G C 0.157 175.116 174.900 0.099 0.000 0.981 127 G CA 0.252 45.395 45.100 0.073 0.000 0.670 127 G HN 0.743 nan 8.290 nan 0.000 0.528 128 V N 1.243 121.233 119.914 0.128 0.000 2.509 128 V HA 0.400 4.509 4.120 -0.019 0.000 0.284 128 V C 1.327 177.580 176.094 0.264 0.000 1.047 128 V CA -0.761 61.633 62.300 0.156 0.000 0.952 128 V CB 1.340 33.239 31.823 0.126 0.000 0.988 128 V HN 0.407 nan 8.190 nan 0.000 0.469 129 R N 5.049 125.675 120.500 0.210 0.000 2.570 129 R HA 0.292 4.621 4.340 -0.019 0.000 0.277 129 R C -0.091 176.464 176.300 0.424 0.000 1.039 129 R CA 0.066 56.289 56.100 0.205 0.000 1.065 129 R CB 0.204 30.554 30.300 0.084 0.000 0.964 129 R HN 0.969 nan 8.270 nan 0.000 0.428 130 H N 0.461 119.741 119.070 0.350 0.000 2.981 130 H HA 0.548 5.092 4.556 -0.019 0.000 0.327 130 H C -1.834 173.664 175.328 0.284 0.000 1.342 130 H CA -1.076 55.127 56.048 0.258 0.000 1.123 130 H CB 1.371 31.194 29.762 0.101 0.000 1.851 130 H HN 0.366 nan 8.280 nan 0.000 0.531 131 L N 1.039 122.394 121.223 0.221 0.000 2.614 131 L HA 0.579 4.907 4.340 -0.019 0.000 0.264 131 L C -0.709 176.257 176.870 0.159 0.000 0.940 131 L CA 0.116 55.046 54.840 0.151 0.000 0.903 131 L CB 2.050 44.208 42.059 0.164 0.000 1.306 131 L HN 1.056 nan 8.230 nan 0.000 0.410 132 G N 3.508 112.390 108.800 0.137 0.000 2.338 132 G HA2 0.493 4.442 3.960 -0.019 0.000 0.298 132 G HA3 0.493 4.442 3.960 -0.019 0.000 0.298 132 G C -1.042 173.891 174.900 0.055 0.000 1.140 132 G CA -0.306 44.872 45.100 0.130 0.000 0.860 132 G HN 0.441 nan 8.290 nan 0.000 0.470 133 F N 1.157 121.136 119.950 0.049 0.000 2.411 133 F HA 0.416 4.931 4.527 -0.020 0.000 0.355 133 F C 0.551 176.326 175.800 -0.042 0.000 1.117 133 F CA -0.450 57.569 58.000 0.032 0.000 1.139 133 F CB 2.051 41.125 39.000 0.122 0.000 1.120 133 F HN 0.310 nan 8.300 nan 0.000 0.493 134 E N 6.433 126.657 120.200 0.039 0.000 2.528 134 E HA 0.264 4.602 4.350 -0.019 0.000 0.277 134 E C -2.302 174.206 176.600 -0.153 0.000 0.980 134 E CA -2.550 53.814 56.400 -0.061 0.000 0.796 134 E CB 1.319 30.993 29.700 -0.043 0.000 1.427 134 E HN 0.097 nan 8.360 nan 0.000 0.394 135 P HA 0.026 nan 4.420 nan 0.000 0.237 135 P C -0.177 176.938 177.300 -0.308 0.000 1.178 135 P CA 0.115 62.901 63.100 -0.523 0.000 0.766 135 P CB 0.461 31.344 31.700 -1.362 0.000 0.876 136 S N 0.378 115.967 115.700 -0.184 0.000 2.404 136 S HA 0.183 4.642 4.470 -0.019 0.000 0.309 136 S C 1.409 176.008 174.600 -0.001 0.000 1.076 136 S CA -0.319 57.854 58.200 -0.045 0.000 1.095 136 S CB 0.630 63.833 63.200 0.006 0.000 0.972 136 S HN 0.179 nan 8.310 nan 0.000 0.484 137 S N 3.112 118.826 115.700 0.024 0.000 2.428 137 S HA -0.027 4.431 4.470 -0.019 0.000 0.230 137 S C 1.959 176.583 174.600 0.040 0.000 1.014 137 S CA 0.728 58.938 58.200 0.018 0.000 0.957 137 S CB -0.482 62.731 63.200 0.022 0.000 0.784 137 S HN 0.700 nan 8.310 nan 0.000 0.499 138 G N 2.097 110.941 108.800 0.074 0.000 2.421 138 G HA2 -0.139 3.810 3.960 -0.019 0.000 0.216 138 G HA3 -0.139 3.810 3.960 -0.019 0.000 0.216 138 G C 1.613 176.545 174.900 0.053 0.000 1.171 138 G CA 1.306 46.455 45.100 0.082 0.000 0.775 138 G HN 0.863 nan 8.290 nan 0.000 0.543 139 V N -1.041 118.881 119.914 0.013 0.000 2.548 139 V HA 0.214 4.322 4.120 -0.019 0.000 0.249 139 V C 2.948 179.033 176.094 -0.015 0.000 1.055 139 V CA 1.521 63.786 62.300 -0.058 0.000 1.065 139 V CB -0.924 30.815 31.823 -0.140 0.000 0.681 139 V HN 0.397 nan 8.190 nan 0.000 0.462 140 A N 1.178 123.995 122.820 -0.006 0.000 1.917 140 A HA -0.099 4.210 4.320 -0.019 0.000 0.219 140 A C 2.498 180.085 177.584 0.005 0.000 1.182 140 A CA 2.801 54.833 52.037 -0.008 0.000 0.633 140 A CB -1.149 17.837 19.000 -0.023 0.000 0.819 140 A HN 1.003 nan 8.150 nan 0.000 0.448 141 A N -0.799 122.031 122.820 0.016 0.000 1.969 141 A HA -0.099 4.210 4.320 -0.019 0.000 0.218 141 A C 2.062 179.665 177.584 0.030 0.000 1.169 141 A CA 1.582 53.633 52.037 0.023 0.000 0.635 141 A CB -0.305 18.714 19.000 0.031 0.000 0.810 141 A HN 0.393 nan 8.150 nan 0.000 0.445 142 K N -0.049 120.374 120.400 0.038 0.000 2.147 142 K HA -0.056 4.253 4.320 -0.019 0.000 0.205 142 K C 2.201 178.821 176.600 0.032 0.000 1.049 142 K CA 1.242 57.557 56.287 0.046 0.000 0.936 142 K CB -0.496 32.049 32.500 0.075 0.000 0.722 142 K HN 0.469 nan 8.250 nan 0.000 0.446 143 A N 1.502 124.334 122.820 0.021 0.000 1.897 143 A HA -0.107 4.202 4.320 -0.019 0.000 0.215 143 A C 2.158 179.759 177.584 0.028 0.000 1.181 143 A CA 0.844 52.892 52.037 0.019 0.000 0.620 143 A CB -0.298 18.710 19.000 0.013 0.000 0.821 143 A HN 0.202 nan 8.150 nan 0.000 0.443 144 R N -0.080 120.436 120.500 0.027 0.000 2.127 144 R HA -0.156 4.172 4.340 -0.019 0.000 0.238 144 R C 1.849 178.167 176.300 0.030 0.000 1.134 144 R CA 1.552 57.670 56.100 0.030 0.000 0.975 144 R CB -0.346 29.966 30.300 0.019 0.000 0.865 144 R HN 0.671 nan 8.270 nan 0.000 0.447 145 E N 0.614 120.830 120.200 0.027 0.000 2.265 145 E HA -0.159 4.179 4.350 -0.019 0.000 0.196 145 E C 1.219 177.834 176.600 0.025 0.000 0.996 145 E CA 0.963 57.378 56.400 0.026 0.000 0.832 145 E CB 0.100 29.816 29.700 0.026 0.000 0.756 145 E HN 0.294 nan 8.360 nan 0.000 0.491 146 K N -0.556 119.859 120.400 0.026 0.000 2.458 146 K HA 0.086 4.394 4.320 -0.019 0.000 0.194 146 K C 0.912 177.529 176.600 0.028 0.000 1.024 146 K CA 0.433 56.734 56.287 0.023 0.000 1.108 146 K CB 0.677 33.186 32.500 0.016 0.000 0.846 146 K HN 0.205 nan 8.250 nan 0.000 0.518 147 G N 1.833 110.657 108.800 0.040 0.000 2.159 147 G HA2 -0.268 3.680 3.960 -0.019 0.000 0.256 147 G HA3 -0.268 3.680 3.960 -0.019 0.000 0.256 147 G C 0.159 175.123 174.900 0.106 0.000 0.977 147 G CA -0.217 44.918 45.100 0.059 0.000 0.652 147 G HN 0.249 nan 8.290 nan 0.000 0.531 148 I N 0.478 121.110 120.570 0.104 0.000 2.575 148 I HA 0.266 4.424 4.170 -0.019 0.000 0.285 148 I C 1.172 177.422 176.117 0.223 0.000 1.085 148 I CA -0.564 60.859 61.300 0.205 0.000 1.403 148 I CB 0.855 38.901 38.000 0.078 0.000 1.409 148 I HN 0.136 nan 8.210 nan 0.000 0.557 149 R N 5.315 126.022 120.500 0.344 0.000 2.267 149 R HA 0.521 4.850 4.340 -0.019 0.000 0.319 149 R C -1.466 174.872 176.300 0.064 0.000 1.067 149 R CA -0.187 55.952 56.100 0.064 0.000 0.936 149 R CB 0.593 30.788 30.300 -0.173 0.000 1.006 149 R HN 0.501 nan 8.270 nan 0.000 0.452 150 V N 4.905 124.816 119.914 -0.004 0.000 2.841 150 V HA 0.441 4.549 4.120 -0.019 0.000 0.310 150 V C -0.584 175.440 176.094 -0.116 0.000 1.090 150 V CA -0.929 61.346 62.300 -0.042 0.000 0.930 150 V CB 2.020 33.834 31.823 -0.016 0.000 1.014 150 V HN 0.728 nan 8.190 nan 0.000 0.425 151 R N 1.810 122.179 120.500 -0.218 0.000 2.387 151 R HA 0.531 4.859 4.340 -0.019 0.000 0.314 151 R C -0.026 176.152 176.300 -0.203 0.000 0.958 151 R CA -0.335 55.603 56.100 -0.270 0.000 0.846 151 R CB 1.528 31.506 30.300 -0.536 0.000 1.147 151 R HN 0.892 nan 8.270 nan 0.000 0.447 152 T N 0.890 115.363 114.554 -0.135 0.000 3.414 152 T HA 0.304 4.642 4.350 -0.019 0.000 0.304 152 T C -0.427 174.196 174.700 -0.129 0.000 1.241 152 T CA -0.550 61.478 62.100 -0.119 0.000 1.076 152 T CB 0.013 68.830 68.868 -0.084 0.000 1.134 152 T HN 0.404 nan 8.240 nan 0.000 0.759 153 D N 1.020 121.348 120.400 -0.120 0.000 2.654 153 D HA 0.314 4.943 4.640 -0.019 0.000 0.231 153 D C -0.821 175.486 176.300 0.012 0.000 1.239 153 D CA -0.633 53.343 54.000 -0.039 0.000 0.790 153 D CB 1.643 42.503 40.800 0.101 0.000 1.480 153 D HN 0.297 nan 8.370 nan 0.000 0.442 154 F N 1.060 121.122 119.950 0.187 0.000 2.443 154 F HA 0.255 4.770 4.527 -0.020 0.000 0.353 154 F C 0.846 176.768 175.800 0.203 0.000 1.101 154 F CA -0.464 57.649 58.000 0.189 0.000 1.226 154 F CB 0.384 39.463 39.000 0.133 0.000 1.140 154 F HN 0.156 nan 8.300 nan 0.000 0.557 155 F N 4.466 124.467 119.950 0.085 0.000 2.495 155 F HA 0.351 4.866 4.527 -0.020 0.000 0.365 155 F C 0.176 175.950 175.800 -0.043 0.000 1.090 155 F CA -0.187 57.595 58.000 -0.363 0.000 1.235 155 F CB 0.028 38.606 39.000 -0.703 0.000 1.119 155 F HN 0.696 nan 8.300 nan 0.000 0.562 156 E N 3.466 123.452 120.200 -0.357 0.000 2.357 156 E HA 0.171 4.510 4.350 -0.019 0.000 0.264 156 E C -0.306 176.096 176.600 -0.331 0.000 1.164 156 E CA -0.973 55.368 56.400 -0.099 0.000 0.893 156 E CB 1.064 30.742 29.700 -0.037 0.000 1.619 156 E HN 0.414 nan 8.360 nan 0.000 0.464 157 K N 0.193 120.504 120.400 -0.148 0.000 2.009 157 K HA -0.157 4.152 4.320 -0.019 0.000 0.210 157 K C 1.963 178.460 176.600 -0.172 0.000 1.049 157 K CA 2.117 58.320 56.287 -0.141 0.000 0.929 157 K CB -0.497 31.967 32.500 -0.060 0.000 0.714 157 K HN 0.500 nan 8.250 nan 0.000 0.440 158 A N 0.666 123.408 122.820 -0.130 0.000 1.933 158 A HA -0.143 4.165 4.320 -0.019 0.000 0.218 158 A C 2.171 179.697 177.584 -0.097 0.000 1.175 158 A CA 2.274 54.255 52.037 -0.093 0.000 0.628 158 A CB -1.031 17.931 19.000 -0.062 0.000 0.814 158 A HN 0.689 nan 8.150 nan 0.000 0.444 159 T N -2.458 112.017 114.554 -0.132 0.000 2.942 159 T HA 0.207 4.546 4.350 -0.019 0.000 0.265 159 T C 1.952 176.600 174.700 -0.088 0.000 1.062 159 T CA 1.272 63.351 62.100 -0.036 0.000 1.139 159 T CB -0.458 68.485 68.868 0.126 0.000 0.883 159 T HN 0.504 nan 8.240 nan 0.000 0.468 160 A N 2.358 124.916 122.820 -0.438 0.000 1.902 160 A HA -0.135 4.174 4.320 -0.019 0.000 0.217 160 A C 2.200 179.723 177.584 -0.102 0.000 1.181 160 A CA 1.774 53.571 52.037 -0.401 0.000 0.623 160 A CB -0.884 17.715 19.000 -0.670 0.000 0.818 160 A HN 0.432 nan 8.150 nan 0.000 0.443 161 D N -0.429 119.914 120.400 -0.094 0.000 2.144 161 D HA -0.141 4.487 4.640 -0.019 0.000 0.199 161 D C 1.593 177.892 176.300 -0.002 0.000 0.984 161 D CA 1.656 55.636 54.000 -0.032 0.000 0.834 161 D CB -0.343 40.434 40.800 -0.038 0.000 0.955 161 D HN 0.581 nan 8.370 nan 0.000 0.465 162 D N -0.306 120.094 120.400 -0.000 0.000 2.117 162 D HA -0.101 4.527 4.640 -0.019 0.000 0.198 162 D C 1.985 178.311 176.300 0.044 0.000 0.982 162 D CA 0.607 54.616 54.000 0.016 0.000 0.828 162 D CB 0.167 40.974 40.800 0.012 0.000 0.967 162 D HN -0.069 nan 8.370 nan 0.000 0.464 163 V N 0.323 120.296 119.914 0.097 0.000 2.626 163 V HA -0.155 3.954 4.120 -0.019 0.000 0.252 163 V C 2.423 178.605 176.094 0.147 0.000 1.067 163 V CA 1.442 63.835 62.300 0.155 0.000 1.081 163 V CB -0.546 31.459 31.823 0.304 0.000 0.686 163 V HN 0.143 nan 8.190 nan 0.000 0.468 164 R N 1.023 121.590 120.500 0.113 0.000 2.075 164 R HA -0.100 4.228 4.340 -0.019 0.000 0.232 164 R C 2.344 178.674 176.300 0.051 0.000 1.126 164 R CA 1.677 57.836 56.100 0.099 0.000 0.963 164 R CB -0.692 29.653 30.300 0.075 0.000 0.858 164 R HN 0.422 nan 8.270 nan 0.000 0.435 165 R N -0.497 120.022 120.500 0.031 0.000 2.103 165 R HA -0.129 4.200 4.340 -0.019 0.000 0.242 165 R C 1.483 177.779 176.300 -0.006 0.000 1.142 165 R CA 2.294 58.400 56.100 0.009 0.000 0.960 165 R CB -0.256 30.046 30.300 0.003 0.000 0.858 165 R HN 0.563 nan 8.270 nan 0.000 0.439 166 T N -3.151 111.398 114.554 -0.009 0.000 3.023 166 T HA 0.144 4.483 4.350 -0.019 0.000 0.249 166 T C 1.146 175.799 174.700 -0.078 0.000 1.050 166 T CA -0.018 62.059 62.100 -0.038 0.000 1.088 166 T CB 0.408 69.253 68.868 -0.037 0.000 0.946 166 T HN 0.114 nan 8.240 nan 0.000 0.480 167 E N 1.069 121.221 120.200 -0.081 0.000 2.490 167 E HA 0.407 4.746 4.350 -0.019 0.000 0.209 167 E C 1.298 177.762 176.600 -0.227 0.000 0.971 167 E CA 0.514 56.771 56.400 -0.239 0.000 0.988 167 E CB 0.666 30.146 29.700 -0.367 0.000 1.029 167 E HN 0.692 nan 8.360 nan 0.000 0.496 168 G N 2.880 111.652 108.800 -0.046 0.000 2.760 168 G HA2 -0.179 3.769 3.960 -0.019 0.000 0.246 168 G HA3 -0.179 3.769 3.960 -0.019 0.000 0.246 168 G C -2.699 172.292 174.900 0.152 0.000 1.359 168 G CA -0.570 44.539 45.100 0.015 0.000 0.861 168 G HN 0.002 nan 8.290 nan 0.000 0.541 169 P HA 0.508 nan 4.420 nan 0.000 0.274 169 P C -0.151 177.348 177.300 0.332 0.000 1.231 169 P CA 0.611 63.833 63.100 0.203 0.000 0.790 169 P CB 1.186 32.962 31.700 0.126 0.000 0.951 170 A N 2.693 125.658 122.820 0.241 0.000 2.290 170 A HA 0.284 4.593 4.320 -0.019 0.000 0.310 170 A C 1.019 178.633 177.584 0.050 0.000 1.202 170 A CA -0.606 51.493 52.037 0.103 0.000 0.837 170 A CB -0.292 18.598 19.000 -0.183 0.000 1.139 170 A HN 0.505 nan 8.150 nan 0.000 0.509 171 N N 0.395 119.118 118.700 0.039 0.000 2.270 171 N HA 0.047 4.776 4.740 -0.019 0.000 0.181 171 N C -0.173 175.303 175.510 -0.055 0.000 1.016 171 N CA 1.197 54.255 53.050 0.013 0.000 0.870 171 N CB 0.115 38.615 38.487 0.023 0.000 0.979 171 N HN 0.408 nan 8.380 nan 0.000 0.431 172 V N 0.924 120.750 119.914 -0.148 0.000 2.760 172 V HA 0.419 4.527 4.120 -0.019 0.000 0.309 172 V C -0.865 175.115 176.094 -0.190 0.000 1.077 172 V CA -0.763 61.394 62.300 -0.238 0.000 0.910 172 V CB 2.484 33.960 31.823 -0.579 0.000 1.008 172 V HN -0.001 nan 8.190 nan 0.000 0.424 173 I N 4.507 125.040 120.570 -0.061 0.000 2.418 173 I HA 0.494 4.652 4.170 -0.019 0.000 0.287 173 I C -1.409 174.846 176.117 0.231 0.000 1.008 173 I CA -0.679 60.623 61.300 0.003 0.000 1.104 173 I CB 1.689 39.614 38.000 -0.126 0.000 1.264 173 I HN 0.659 nan 8.210 nan 0.000 0.438 174 Y N 6.130 126.444 120.300 0.024 0.000 2.462 174 Y HA 0.810 5.349 4.550 -0.019 0.000 0.346 174 Y C -1.048 174.915 175.900 0.106 0.000 0.976 174 Y CA -0.877 57.288 58.100 0.108 0.000 1.044 174 Y CB 1.985 40.515 38.460 0.117 0.000 1.230 174 Y HN 0.584 nan 8.280 nan 0.000 0.455 175 A N 3.938 126.455 122.820 -0.504 0.000 2.408 175 A HA 0.876 5.184 4.320 -0.019 0.000 0.295 175 A C -1.695 175.542 177.584 -0.578 0.000 1.040 175 A CA -0.204 51.568 52.037 -0.441 0.000 0.707 175 A CB 0.669 19.574 19.000 -0.158 0.000 1.235 175 A HN 1.252 nan 8.150 nan 0.000 0.418 176 A N 2.820 125.385 122.820 -0.425 0.000 2.331 176 A HA 0.676 4.984 4.320 -0.019 0.000 0.320 176 A C 0.333 177.913 177.584 -0.006 0.000 1.138 176 A CA -0.651 51.337 52.037 -0.081 0.000 0.790 176 A CB 0.155 19.351 19.000 0.326 0.000 1.206 176 A HN 1.244 nan 8.150 nan 0.000 0.470 177 N N 1.687 120.415 118.700 0.047 0.000 2.716 177 N HA -0.163 4.565 4.740 -0.019 0.000 0.250 177 N C 0.448 175.717 175.510 -0.403 0.000 1.033 177 N CA 1.804 54.835 53.050 -0.031 0.000 0.727 177 N CB -1.020 37.472 38.487 0.009 0.000 0.950 177 N HN 0.747 nan 8.380 nan 0.000 0.541 178 T N -1.215 113.147 114.554 -0.321 0.000 3.254 178 T HA 0.118 4.457 4.350 -0.019 0.000 0.267 178 T C 1.632 176.230 174.700 -0.170 0.000 0.946 178 T CA 0.007 61.827 62.100 -0.466 0.000 0.991 178 T CB 0.152 68.824 68.868 -0.327 0.000 1.205 178 T HN 0.097 nan 8.240 nan 0.000 0.494 179 L N 2.657 123.851 121.223 -0.047 0.000 2.046 179 L HA -0.031 4.297 4.340 -0.019 0.000 0.208 179 L C 2.614 179.589 176.870 0.175 0.000 1.077 179 L CA 1.859 56.698 54.840 -0.002 0.000 0.747 179 L CB -0.619 41.317 42.059 -0.204 0.000 0.896 179 L HN 0.639 nan 8.230 nan 0.000 0.432 180 C N -1.764 117.650 119.300 0.191 0.000 2.443 180 C HA -0.044 4.404 4.460 -0.019 0.000 0.290 180 C C 2.210 177.277 174.990 0.128 0.000 1.476 180 C CA 0.215 59.218 59.018 -0.025 0.000 1.772 180 C CB -2.095 25.400 27.740 -0.408 0.000 1.714 180 C HN 0.593 nan 8.230 nan 0.000 0.562 181 H N 0.505 119.566 119.070 -0.015 0.000 2.548 181 H HA 0.413 4.959 4.556 -0.018 0.000 0.265 181 H C 0.543 175.835 175.328 -0.060 0.000 0.969 181 H CA 0.227 56.290 56.048 0.026 0.000 1.155 181 H CB -0.151 29.643 29.762 0.054 0.000 1.394 181 H HN 0.509 nan 8.280 nan 0.000 0.570 182 I N 1.985 122.537 120.570 -0.030 0.000 2.371 182 I HA 0.149 4.308 4.170 -0.019 0.000 0.282 182 I C -1.695 174.182 176.117 -0.400 0.000 1.031 182 I CA -1.943 59.114 61.300 -0.404 0.000 1.180 182 I CB 2.405 40.073 38.000 -0.554 0.000 1.336 182 I HN -0.085 nan 8.210 nan 0.000 0.467 183 P HA -0.166 nan 4.420 nan 0.000 0.220 183 P C 0.415 177.569 177.300 -0.244 0.000 1.148 183 P CA 1.166 63.771 63.100 -0.825 0.000 0.803 183 P CB -0.192 30.641 31.700 -1.444 0.000 0.782 184 Y N -2.290 117.937 120.300 -0.121 0.000 3.040 184 Y HA 0.333 4.871 4.550 -0.020 0.000 0.392 184 Y C 1.525 177.444 175.900 0.031 0.000 1.105 184 Y CA -0.822 57.253 58.100 -0.042 0.000 1.950 184 Y CB -1.344 37.065 38.460 -0.085 0.000 2.014 184 Y HN -0.282 nan 8.280 nan 0.000 0.433 185 V N 0.976 120.926 119.914 0.060 0.000 2.490 185 V HA -0.278 3.831 4.120 -0.019 0.000 0.250 185 V C 2.060 178.178 176.094 0.040 0.000 1.061 185 V CA 2.024 64.337 62.300 0.023 0.000 1.064 185 V CB -0.065 31.764 31.823 0.011 0.000 0.670 185 V HN 0.750 nan 8.190 nan 0.000 0.461 186 Q N -0.707 119.142 119.800 0.083 0.000 2.084 186 Q HA -0.189 4.140 4.340 -0.019 0.000 0.202 186 Q C 2.484 178.535 176.000 0.086 0.000 0.978 186 Q CA 1.863 57.711 55.803 0.075 0.000 0.844 186 Q CB -0.339 28.446 28.738 0.078 0.000 0.898 186 Q HN 0.669 nan 8.270 nan 0.000 0.426 187 S N 0.073 115.846 115.700 0.121 0.000 2.359 187 S HA -0.147 4.312 4.470 -0.019 0.000 0.224 187 S C 2.058 176.736 174.600 0.130 0.000 1.035 187 S CA 1.240 59.511 58.200 0.119 0.000 1.018 187 S CB -0.236 63.047 63.200 0.139 0.000 0.876 187 S HN 0.221 nan 8.310 nan 0.000 0.448 188 V N 2.138 122.153 119.914 0.169 0.000 2.282 188 V HA -0.214 3.894 4.120 -0.019 0.000 0.249 188 V C 2.431 178.554 176.094 0.048 0.000 1.057 188 V CA 2.180 64.577 62.300 0.162 0.000 1.032 188 V CB -0.796 31.036 31.823 0.014 0.000 0.645 188 V HN 0.485 nan 8.190 nan 0.000 0.447 189 L N -0.553 120.665 121.223 -0.007 0.000 2.093 189 L HA -0.170 4.158 4.340 -0.019 0.000 0.208 189 L C 2.552 179.499 176.870 0.128 0.000 1.085 189 L CA 1.525 56.363 54.840 -0.004 0.000 0.755 189 L CB -0.613 41.484 42.059 0.064 0.000 0.904 189 L HN 0.379 nan 8.230 nan 0.000 0.435 190 E N 0.010 120.272 120.200 0.103 0.000 2.077 190 E HA -0.167 4.171 4.350 -0.019 0.000 0.193 190 E C 2.260 178.903 176.600 0.071 0.000 0.989 190 E CA 1.030 57.483 56.400 0.088 0.000 0.800 190 E CB -0.299 29.430 29.700 0.047 0.000 0.746 190 E HN 0.554 nan 8.360 nan 0.000 0.452 191 G N 0.878 109.714 108.800 0.059 0.000 2.418 191 G HA2 -0.236 3.712 3.960 -0.019 0.000 0.217 191 G HA3 -0.236 3.712 3.960 -0.019 0.000 0.217 191 G C 1.742 176.724 174.900 0.135 0.000 1.158 191 G CA 0.704 45.814 45.100 0.016 0.000 0.771 191 G HN 0.120 nan 8.290 nan 0.000 0.545 192 V N 1.314 121.294 119.914 0.110 0.000 2.332 192 V HA -0.205 3.903 4.120 -0.019 0.000 0.248 192 V C 2.534 178.721 176.094 0.156 0.000 1.055 192 V CA 2.344 64.608 62.300 -0.061 0.000 1.038 192 V CB -0.423 31.048 31.823 -0.587 0.000 0.651 192 V HN 0.399 nan 8.190 nan 0.000 0.450 193 D N 0.145 120.710 120.400 0.274 0.000 2.117 193 D HA -0.131 4.498 4.640 -0.019 0.000 0.197 193 D C 2.117 178.483 176.300 0.112 0.000 0.987 193 D CA 1.553 55.697 54.000 0.240 0.000 0.829 193 D CB -0.138 40.739 40.800 0.129 0.000 0.961 193 D HN 0.383 nan 8.370 nan 0.000 0.460 194 A N -0.376 122.492 122.820 0.081 0.000 1.969 194 A HA -0.042 4.266 4.320 -0.019 0.000 0.218 194 A C 2.064 179.689 177.584 0.069 0.000 1.169 194 A CA 1.182 53.249 52.037 0.050 0.000 0.635 194 A CB -0.420 18.592 19.000 0.019 0.000 0.810 194 A HN 0.371 nan 8.150 nan 0.000 0.445 195 L N -1.759 119.520 121.223 0.093 0.000 2.470 195 L HA 0.418 4.746 4.340 -0.019 0.000 0.219 195 L C 0.471 177.411 176.870 0.116 0.000 1.071 195 L CA 0.307 55.217 54.840 0.117 0.000 0.850 195 L CB -0.183 41.967 42.059 0.153 0.000 1.040 195 L HN 0.278 nan 8.230 nan 0.000 0.475 196 L N 1.123 122.410 121.223 0.107 0.000 2.426 196 L HA 0.518 4.847 4.340 -0.019 0.000 0.271 196 L C 0.667 177.601 176.870 0.106 0.000 1.169 196 L CA 0.141 55.042 54.840 0.102 0.000 0.836 196 L CB 0.610 42.750 42.059 0.135 0.000 1.112 196 L HN 0.238 nan 8.230 nan 0.000 0.465 197 A N 6.282 129.160 122.820 0.096 0.000 2.448 197 A HA 0.316 4.624 4.320 -0.019 0.000 0.239 197 A C -1.618 176.016 177.584 0.082 0.000 1.080 197 A CA -0.560 51.528 52.037 0.085 0.000 0.779 197 A CB -0.634 18.413 19.000 0.079 0.000 1.026 197 A HN 0.795 nan 8.150 nan 0.000 0.499 198 P HA -0.105 nan 4.420 nan 0.000 0.218 198 P C 0.293 177.631 177.300 0.062 0.000 1.149 198 P CA 1.638 64.771 63.100 0.054 0.000 0.817 198 P CB -0.010 31.711 31.700 0.035 0.000 0.785 199 D N -1.401 119.035 120.400 0.061 0.000 2.427 199 D HA 0.176 4.804 4.640 -0.019 0.000 0.224 199 D C 0.885 177.228 176.300 0.071 0.000 1.157 199 D CA -0.442 53.595 54.000 0.061 0.000 0.828 199 D CB -0.579 40.250 40.800 0.049 0.000 0.974 199 D HN -0.028 nan 8.370 nan 0.000 0.498 200 G N -0.146 108.705 108.800 0.085 0.000 2.535 200 G HA2 0.558 4.506 3.960 -0.019 0.000 0.303 200 G HA3 0.558 4.506 3.960 -0.019 0.000 0.303 200 G C -0.273 174.691 174.900 0.107 0.000 1.237 200 G CA -0.449 44.700 45.100 0.081 0.000 0.986 200 G HN 0.297 nan 8.290 nan 0.000 0.494 201 V N -2.870 117.099 119.914 0.090 0.000 2.735 201 V HA 0.761 4.869 4.120 -0.019 0.000 0.310 201 V C -1.303 174.891 176.094 0.167 0.000 1.061 201 V CA -1.240 61.135 62.300 0.125 0.000 0.913 201 V CB 1.791 33.684 31.823 0.117 0.000 1.005 201 V HN 0.603 nan 8.190 nan 0.000 0.428 202 F N 4.184 124.124 119.950 -0.017 0.000 2.402 202 F HA 0.830 5.346 4.527 -0.020 0.000 0.355 202 F C -0.676 175.155 175.800 0.052 0.000 1.123 202 F CA -1.504 56.471 58.000 -0.040 0.000 1.021 202 F CB 1.437 40.326 39.000 -0.185 0.000 1.160 202 F HN 0.451 nan 8.300 nan 0.000 0.451 203 V N 8.272 128.174 119.914 -0.020 0.000 2.487 203 V HA 0.526 4.635 4.120 -0.019 0.000 0.298 203 V C -0.824 175.166 176.094 -0.174 0.000 1.028 203 V CA -0.633 61.632 62.300 -0.058 0.000 0.860 203 V CB 1.378 33.434 31.823 0.388 0.000 0.991 203 V HN 0.561 nan 8.190 nan 0.000 0.427 204 F N 1.967 121.689 119.950 -0.379 0.000 2.588 204 F HA 0.889 5.404 4.527 -0.020 0.000 0.310 204 F C -0.422 175.334 175.800 -0.074 0.000 1.082 204 F CA -1.090 56.694 58.000 -0.361 0.000 0.929 204 F CB 1.734 40.435 39.000 -0.499 0.000 1.254 204 F HN 0.582 nan 8.300 nan 0.000 0.455 205 E N 1.436 121.706 120.200 0.116 0.000 2.293 205 E HA 0.675 5.013 4.350 -0.019 0.000 0.270 205 E C -1.967 174.788 176.600 0.259 0.000 0.879 205 E CA -0.943 55.557 56.400 0.168 0.000 0.756 205 E CB 3.054 32.841 29.700 0.146 0.000 1.208 205 E HN 0.696 nan 8.360 nan 0.000 0.428 206 D N 2.037 122.624 120.400 0.311 0.000 2.623 206 D HA 0.250 4.878 4.640 -0.019 0.000 0.241 206 D C -2.789 173.649 176.300 0.230 0.000 1.241 206 D CA -1.606 52.562 54.000 0.280 0.000 0.788 206 D CB 2.440 43.489 40.800 0.416 0.000 1.413 206 D HN 0.223 nan 8.370 nan 0.000 0.429 207 P HA -0.044 nan 4.420 nan 0.000 0.262 207 P C -1.029 176.411 177.300 0.233 0.000 1.182 207 P CA 0.510 63.684 63.100 0.123 0.000 0.761 207 P CB 0.010 31.706 31.700 -0.007 0.000 0.795 208 Y N 4.038 124.399 120.300 0.102 0.000 2.320 208 Y HA 0.163 4.702 4.550 -0.019 0.000 0.334 208 Y C 1.374 177.317 175.900 0.072 0.000 1.055 208 Y CA -1.037 57.136 58.100 0.122 0.000 1.143 208 Y CB 1.047 39.552 38.460 0.076 0.000 1.193 208 Y HN 0.228 nan 8.280 nan 0.000 0.477 209 L N 6.030 127.124 121.223 -0.215 0.000 2.043 209 L HA -0.093 4.235 4.340 -0.019 0.000 0.212 209 L C 2.078 178.561 176.870 -0.644 0.000 1.075 209 L CA 2.642 57.260 54.840 -0.369 0.000 0.752 209 L CB -0.912 41.020 42.059 -0.213 0.000 0.891 209 L HN 0.974 nan 8.230 nan 0.000 0.432 210 G N -1.010 106.962 108.800 -1.380 0.000 2.446 210 G HA2 -0.293 3.656 3.960 -0.019 0.000 0.217 210 G HA3 -0.293 3.656 3.960 -0.019 0.000 0.217 210 G C 1.301 175.973 174.900 -0.380 0.000 1.168 210 G CA 0.948 45.504 45.100 -0.907 0.000 0.771 210 G HN 0.493 nan 8.290 nan 0.000 0.551 211 D N 0.581 120.842 120.400 -0.231 0.000 2.144 211 D HA -0.071 4.558 4.640 -0.019 0.000 0.199 211 D C 2.581 178.874 176.300 -0.012 0.000 0.984 211 D CA 0.579 54.582 54.000 0.005 0.000 0.834 211 D CB -0.068 40.825 40.800 0.155 0.000 0.955 211 D HN 0.376 nan 8.370 nan 0.000 0.465 212 I N 0.813 121.340 120.570 -0.072 0.000 2.179 212 I HA -0.228 3.931 4.170 -0.019 0.000 0.242 212 I C 2.514 178.548 176.117 -0.139 0.000 1.088 212 I CA 0.709 61.978 61.300 -0.051 0.000 1.357 212 I CB -0.166 37.767 38.000 -0.112 0.000 1.051 212 I HN -0.124 nan 8.210 nan 0.000 0.409 213 V N 0.911 120.641 119.914 -0.306 0.000 2.427 213 V HA -0.233 3.875 4.120 -0.019 0.000 0.248 213 V C 2.657 178.745 176.094 -0.009 0.000 1.051 213 V CA 1.862 64.015 62.300 -0.245 0.000 1.048 213 V CB -0.858 30.789 31.823 -0.294 0.000 0.666 213 V HN 0.480 nan 8.190 nan 0.000 0.456 214 A N -0.321 122.479 122.820 -0.034 0.000 1.930 214 A HA -0.172 4.136 4.320 -0.019 0.000 0.217 214 A C 2.205 179.814 177.584 0.040 0.000 1.175 214 A CA 1.642 53.684 52.037 0.009 0.000 0.627 214 A CB -0.270 18.732 19.000 0.002 0.000 0.815 214 A HN 0.547 nan 8.150 nan 0.000 0.443 215 K N -1.222 119.209 120.400 0.051 0.000 2.367 215 K HA 0.114 4.423 4.320 -0.019 0.000 0.194 215 K C -0.143 176.509 176.600 0.087 0.000 1.027 215 K CA 0.618 56.923 56.287 0.031 0.000 1.075 215 K CB 0.307 32.801 32.500 -0.009 0.000 0.845 215 K HN 0.339 nan 8.250 nan 0.000 0.529 216 T N 1.308 116.001 114.554 0.233 0.000 4.096 216 T HA -0.137 4.201 4.350 -0.019 0.000 0.343 216 T C 0.041 175.008 174.700 0.445 0.000 0.756 216 T CA 0.984 63.340 62.100 0.427 0.000 1.914 216 T CB -1.922 67.105 68.868 0.264 0.000 1.873 216 T HN 0.396 nan 8.240 nan 0.000 0.850 217 S N 0.755 116.668 115.700 0.356 0.000 4.087 217 S HA 0.426 4.884 4.470 -0.019 0.000 0.213 217 S C 1.136 175.966 174.600 0.382 0.000 1.415 217 S CA -0.701 57.641 58.200 0.237 0.000 0.893 217 S CB -0.826 62.486 63.200 0.187 0.000 1.529 217 S HN 0.599 nan 8.310 nan 0.000 0.457 218 F N 1.634 121.798 119.950 0.357 0.000 2.451 218 F HA 0.010 4.521 4.527 -0.026 0.000 0.299 218 F C 1.587 177.563 175.800 0.294 0.000 1.101 218 F CA 0.577 58.770 58.000 0.322 0.000 1.436 218 F CB -0.568 38.477 39.000 0.074 0.000 1.074 218 F HN 0.461 nan 8.300 nan 0.000 0.553 219 D N -0.192 120.012 120.400 -0.327 0.000 2.371 219 D HA -0.162 4.466 4.640 -0.019 0.000 0.221 219 D C 1.361 177.822 176.300 0.267 0.000 0.986 219 D CA 0.529 54.483 54.000 -0.077 0.000 0.899 219 D CB -0.735 40.059 40.800 -0.011 0.000 0.902 219 D HN 0.416 nan 8.370 nan 0.000 0.530 220 Q N -0.042 119.976 119.800 0.363 0.000 2.488 220 Q HA 0.128 4.456 4.340 -0.019 0.000 0.211 220 Q C 0.485 176.722 176.000 0.394 0.000 0.967 220 Q CA 0.349 56.423 55.803 0.452 0.000 0.926 220 Q CB 0.561 29.529 28.738 0.384 0.000 0.992 220 Q HN 0.493 nan 8.270 nan 0.000 0.506 221 I N 1.414 122.174 120.570 0.317 0.000 2.330 221 I HA 0.254 4.412 4.170 -0.019 0.000 0.289 221 I C -0.610 175.641 176.117 0.223 0.000 1.001 221 I CA -0.882 60.526 61.300 0.180 0.000 1.193 221 I CB 0.558 38.673 38.000 0.192 0.000 1.345 221 I HN -0.036 nan 8.210 nan 0.000 0.461 222 Y N 2.943 123.237 120.300 -0.010 0.000 2.818 222 Y HA 0.285 4.824 4.550 -0.019 0.000 0.341 222 Y C 0.486 176.382 175.900 -0.007 0.000 1.283 222 Y CA -1.266 56.832 58.100 -0.004 0.000 1.075 222 Y CB -0.002 38.410 38.460 -0.079 0.000 1.370 222 Y HN 0.479 nan 8.280 nan 0.000 0.448 223 D N 0.190 120.704 120.400 0.190 0.000 2.133 223 D HA -0.232 4.397 4.640 -0.019 0.000 0.195 223 D C 0.857 177.035 176.300 -0.204 0.000 0.997 223 D CA 2.284 56.241 54.000 -0.073 0.000 0.840 223 D CB -0.308 40.407 40.800 -0.140 0.000 0.947 223 D HN 0.842 nan 8.370 nan 0.000 0.452 224 E N -0.874 119.147 120.200 -0.298 0.000 2.435 224 E HA -0.004 4.335 4.350 -0.019 0.000 0.195 224 E C 0.178 176.424 176.600 -0.590 0.000 1.029 224 E CA 0.137 56.340 56.400 -0.327 0.000 0.865 224 E CB -0.045 29.581 29.700 -0.123 0.000 0.833 224 E HN 0.576 nan 8.360 nan 0.000 0.510 225 H N -0.296 118.270 119.070 -0.840 0.000 2.741 225 H HA 0.082 4.628 4.556 -0.017 0.000 0.261 225 H C 0.143 175.225 175.328 -0.411 0.000 1.365 225 H CA -0.673 54.970 56.048 -0.676 0.000 1.266 225 H CB 0.354 29.701 29.762 -0.693 0.000 1.485 225 H HN 0.109 nan 8.280 nan 0.000 0.529 226 F N 2.024 121.745 119.950 -0.381 0.000 2.186 226 F HA -0.035 4.480 4.527 -0.020 0.000 0.299 226 F C -0.159 175.263 175.800 -0.631 0.000 1.090 226 F CA 0.850 58.535 58.000 -0.525 0.000 1.307 226 F CB 0.348 38.943 39.000 -0.674 0.000 1.019 226 F HN 0.248 nan 8.300 nan 0.000 0.489 227 F N 0.571 120.346 119.950 -0.292 0.000 2.508 227 F HA 0.437 4.953 4.527 -0.017 0.000 0.325 227 F C -0.510 174.975 175.800 -0.526 0.000 1.090 227 F CA -1.114 56.616 58.000 -0.450 0.000 0.945 227 F CB 1.436 40.022 39.000 -0.691 0.000 1.156 227 F HN -0.391 nan 8.300 nan 0.000 0.463 228 L N 4.594 125.749 121.223 -0.112 0.000 2.335 228 L HA 0.363 4.692 4.340 -0.019 0.000 0.268 228 L C -0.879 176.025 176.870 0.056 0.000 1.037 228 L CA -0.580 54.208 54.840 -0.087 0.000 0.895 228 L CB 0.019 42.061 42.059 -0.029 0.000 1.266 228 L HN 0.377 nan 8.230 nan 0.000 0.439 229 F N 1.200 121.233 119.950 0.138 0.000 2.506 229 F HA 0.238 4.755 4.527 -0.017 0.000 0.351 229 F C 1.170 177.115 175.800 0.241 0.000 1.136 229 F CA -0.310 57.758 58.000 0.114 0.000 1.298 229 F CB 1.014 40.048 39.000 0.057 0.000 1.145 229 F HN 0.443 nan 8.300 nan 0.000 0.593 230 S N 0.649 116.595 115.700 0.411 0.000 2.667 230 S HA 0.773 5.231 4.470 -0.019 0.000 0.292 230 S C 0.480 175.321 174.600 0.402 0.000 1.126 230 S CA -0.355 58.124 58.200 0.466 0.000 0.881 230 S CB 1.557 64.900 63.200 0.237 0.000 1.132 230 S HN 0.708 nan 8.310 nan 0.000 0.492 231 A N 1.200 124.285 122.820 0.441 0.000 1.933 231 A HA 0.042 4.350 4.320 -0.019 0.000 0.218 231 A C 2.070 179.737 177.584 0.138 0.000 1.175 231 A CA 2.260 54.473 52.037 0.293 0.000 0.628 231 A CB -1.920 17.189 19.000 0.182 0.000 0.814 231 A HN 0.902 nan 8.150 nan 0.000 0.444 232 T N 0.749 115.379 114.554 0.126 0.000 2.652 232 T HA -0.193 4.146 4.350 -0.019 0.000 0.267 232 T C 2.362 177.088 174.700 0.043 0.000 1.039 232 T CA 2.286 64.428 62.100 0.070 0.000 1.153 232 T CB -0.539 68.367 68.868 0.062 0.000 0.863 232 T HN 0.803 nan 8.240 nan 0.000 0.428 233 S N 1.037 116.767 115.700 0.049 0.000 2.387 233 S HA -0.028 4.430 4.470 -0.019 0.000 0.226 233 S C 2.188 176.745 174.600 -0.072 0.000 1.026 233 S CA 0.677 58.888 58.200 0.018 0.000 0.972 233 S CB -0.812 62.431 63.200 0.072 0.000 0.814 233 S HN 0.288 nan 8.310 nan 0.000 0.477 234 V N 2.232 122.053 119.914 -0.155 0.000 2.427 234 V HA -0.180 3.928 4.120 -0.019 0.000 0.248 234 V C 2.946 178.948 176.094 -0.153 0.000 1.051 234 V CA 2.121 64.222 62.300 -0.331 0.000 1.048 234 V CB -0.961 30.403 31.823 -0.766 0.000 0.666 234 V HN 0.609 nan 8.190 nan 0.000 0.456 235 Q N 0.176 119.939 119.800 -0.061 0.000 2.084 235 Q HA -0.175 4.153 4.340 -0.019 0.000 0.202 235 Q C 2.241 178.239 176.000 -0.005 0.000 0.978 235 Q CA 2.107 57.903 55.803 -0.012 0.000 0.844 235 Q CB -0.471 28.276 28.738 0.014 0.000 0.898 235 Q HN 0.639 nan 8.270 nan 0.000 0.426 236 G N 1.038 109.833 108.800 -0.009 0.000 2.418 236 G HA2 -0.293 3.655 3.960 -0.019 0.000 0.217 236 G HA3 -0.293 3.655 3.960 -0.019 0.000 0.217 236 G C 1.395 176.293 174.900 -0.004 0.000 1.158 236 G CA 0.835 45.936 45.100 0.002 0.000 0.771 236 G HN 0.425 nan 8.290 nan 0.000 0.545 237 M N 0.786 120.360 119.600 -0.043 0.000 2.086 237 M HA 0.057 4.525 4.480 -0.019 0.000 0.261 237 M C 2.808 179.110 176.300 0.004 0.000 1.067 237 M CA 1.780 57.047 55.300 -0.056 0.000 1.116 237 M CB -0.152 32.347 32.600 -0.169 0.000 1.348 237 M HN 0.270 nan 8.290 nan 0.000 0.407 238 A N 0.237 123.068 122.820 0.018 0.000 1.865 238 A HA -0.272 4.036 4.320 -0.019 0.000 0.217 238 A C 2.112 179.789 177.584 0.155 0.000 1.191 238 A CA 2.048 54.167 52.037 0.137 0.000 0.623 238 A CB -1.261 17.812 19.000 0.122 0.000 0.826 238 A HN 0.697 nan 8.150 nan 0.000 0.444 239 Q N 0.117 119.968 119.800 0.084 0.000 2.077 239 Q HA -0.211 4.117 4.340 -0.019 0.000 0.206 239 Q C 2.012 178.042 176.000 0.050 0.000 0.989 239 Q CA 2.002 57.841 55.803 0.060 0.000 0.853 239 Q CB -0.285 28.475 28.738 0.037 0.000 0.907 239 Q HN 0.709 nan 8.270 nan 0.000 0.418 240 R N -1.344 119.186 120.500 0.049 0.000 2.357 240 R HA -0.011 4.318 4.340 -0.019 0.000 0.202 240 R C 1.556 177.885 176.300 0.049 0.000 1.047 240 R CA 0.487 56.610 56.100 0.039 0.000 1.034 240 R CB -0.010 30.311 30.300 0.035 0.000 0.875 240 R HN 0.217 nan 8.270 nan 0.000 0.473 241 C N -1.171 118.179 119.300 0.083 0.000 3.491 241 C HA 0.341 4.790 4.460 -0.019 0.000 0.298 241 C C 1.370 176.333 174.990 -0.045 0.000 1.424 241 C CA 0.141 59.221 59.018 0.103 0.000 1.772 241 C CB 0.410 28.321 27.740 0.284 0.000 2.447 241 C HN 0.741 nan 8.230 nan 0.000 0.670 242 G N 0.600 109.350 108.800 -0.083 0.000 2.175 242 G HA2 -0.227 3.721 3.960 -0.019 0.000 0.244 242 G HA3 -0.227 3.721 3.960 -0.019 0.000 0.244 242 G C -0.108 174.587 174.900 -0.342 0.000 0.982 242 G CA 0.059 45.015 45.100 -0.239 0.000 0.641 242 G HN 0.407 nan 8.290 nan 0.000 0.527 243 F N 0.148 120.116 119.950 0.030 0.000 2.525 243 F HA 0.809 5.324 4.527 -0.019 0.000 0.346 243 F C 0.617 176.437 175.800 0.033 0.000 1.072 243 F CA -0.655 57.372 58.000 0.045 0.000 1.033 243 F CB 1.359 40.407 39.000 0.080 0.000 1.324 243 F HN 0.091 nan 8.300 nan 0.000 0.491 244 E N 0.668 121.028 120.200 0.266 0.000 2.321 244 E HA 0.393 4.731 4.350 -0.019 0.000 0.278 244 E C -1.996 174.670 176.600 0.111 0.000 0.902 244 E CA -0.999 55.483 56.400 0.136 0.000 0.758 244 E CB 2.097 31.853 29.700 0.093 0.000 1.213 244 E HN 0.513 nan 8.360 nan 0.000 0.426 245 L N 5.989 127.249 121.223 0.062 0.000 2.315 245 L HA 0.219 4.548 4.340 -0.019 0.000 0.283 245 L C 0.229 177.109 176.870 0.017 0.000 1.089 245 L CA 0.432 55.287 54.840 0.025 0.000 0.833 245 L CB 1.157 43.225 42.059 0.016 0.000 1.170 245 L HN 0.576 nan 8.230 nan 0.000 0.442 246 V N 0.311 120.228 119.914 0.006 0.000 3.604 246 V HA 0.535 4.644 4.120 -0.019 0.000 0.277 246 V C 0.100 176.180 176.094 -0.022 0.000 1.399 246 V CA 0.153 62.455 62.300 0.004 0.000 1.034 246 V CB 0.476 32.314 31.823 0.024 0.000 0.824 246 V HN 0.733 nan 8.190 nan 0.000 0.439 247 D N -0.084 120.285 120.400 -0.051 0.000 2.609 247 D HA 0.634 5.263 4.640 -0.019 0.000 0.239 247 D C -1.303 174.912 176.300 -0.142 0.000 1.229 247 D CA 0.255 54.205 54.000 -0.083 0.000 0.808 247 D CB 2.824 43.578 40.800 -0.077 0.000 1.448 247 D HN 0.412 nan 8.370 nan 0.000 0.433 248 V N -0.528 119.280 119.914 -0.178 0.000 2.888 248 V HA 0.798 4.907 4.120 -0.019 0.000 0.309 248 V C -1.274 174.654 176.094 -0.276 0.000 1.114 248 V CA -0.670 61.452 62.300 -0.297 0.000 0.940 248 V CB 1.807 33.444 31.823 -0.310 0.000 1.021 248 V HN 0.560 nan 8.190 nan 0.000 0.426 249 Q N 2.306 121.901 119.800 -0.341 0.000 2.284 249 Q HA 0.544 4.872 4.340 -0.019 0.000 0.269 249 Q C -1.136 174.686 176.000 -0.296 0.000 1.026 249 Q CA -0.752 54.895 55.803 -0.259 0.000 0.831 249 Q CB 2.668 31.285 28.738 -0.200 0.000 1.322 249 Q HN 0.911 nan 8.270 nan 0.000 0.419 250 R N 2.735 123.086 120.500 -0.249 0.000 2.410 250 R HA 0.548 4.876 4.340 -0.019 0.000 0.288 250 R C -0.603 175.611 176.300 -0.143 0.000 1.051 250 R CA -0.150 55.809 56.100 -0.234 0.000 1.021 250 R CB 0.739 30.922 30.300 -0.195 0.000 1.032 250 R HN 0.473 nan 8.270 nan 0.000 0.481 251 L N 3.684 124.839 121.223 -0.115 0.000 2.381 251 L HA 0.404 4.733 4.340 -0.019 0.000 0.268 251 L C -1.580 175.251 176.870 -0.065 0.000 0.997 251 L CA -1.935 52.861 54.840 -0.073 0.000 0.818 251 L CB 2.575 44.604 42.059 -0.050 0.000 1.310 251 L HN 0.475 nan 8.230 nan 0.000 0.416 252 P HA -0.032 nan 4.420 nan 0.000 0.236 252 P C 0.342 177.568 177.300 -0.123 0.000 1.177 252 P CA 0.406 63.462 63.100 -0.072 0.000 0.773 252 P CB 0.219 31.877 31.700 -0.071 0.000 0.878 253 V N -2.910 116.877 119.914 -0.212 0.000 3.003 253 V HA 0.223 4.332 4.120 -0.019 0.000 0.305 253 V C 0.870 176.835 176.094 -0.215 0.000 1.078 253 V CA -0.349 61.740 62.300 -0.352 0.000 1.083 253 V CB -0.806 30.671 31.823 -0.576 0.000 1.039 253 V HN 0.224 nan 8.190 nan 0.000 0.481 254 H N 2.032 120.953 119.070 -0.248 0.000 2.741 254 H HA -0.200 4.344 4.556 -0.020 0.000 0.305 254 H C 1.520 176.745 175.328 -0.172 0.000 1.169 254 H CA 1.444 57.355 56.048 -0.228 0.000 1.144 254 H CB -1.454 28.258 29.762 -0.083 0.000 1.397 254 H HN 1.975 nan 8.280 nan 0.000 0.409 255 G N -1.496 107.243 108.800 -0.100 0.000 2.179 255 G HA2 0.031 3.980 3.960 -0.019 0.000 0.260 255 G HA3 0.031 3.980 3.960 -0.019 0.000 0.260 255 G C 0.678 175.707 174.900 0.215 0.000 0.977 255 G CA 0.857 46.050 45.100 0.154 0.000 0.641 255 G HN 1.712 nan 8.290 nan 0.000 0.533 256 G N -1.070 107.805 108.800 0.124 0.000 3.313 256 G HA2 0.463 4.412 3.960 -0.019 0.000 0.659 256 G HA3 0.463 4.412 3.960 -0.019 0.000 0.659 256 G C -0.840 174.158 174.900 0.162 0.000 1.286 256 G CA 0.190 45.372 45.100 0.136 0.000 1.077 256 G HN 0.839 nan 8.290 nan 0.000 0.551 257 E N -0.223 120.032 120.200 0.092 0.000 2.410 257 E HA 0.749 5.087 4.350 -0.019 0.000 0.269 257 E C -0.813 175.728 176.600 -0.097 0.000 0.937 257 E CA -1.143 55.306 56.400 0.080 0.000 0.793 257 E CB 3.105 32.848 29.700 0.071 0.000 1.314 257 E HN 0.396 nan 8.360 nan 0.000 0.447 258 V N 1.222 121.019 119.914 -0.196 0.000 2.604 258 V HA 0.378 4.487 4.120 -0.019 0.000 0.305 258 V C -0.413 175.338 176.094 -0.571 0.000 1.043 258 V CA -0.753 61.197 62.300 -0.584 0.000 0.888 258 V CB 1.882 33.074 31.823 -1.051 0.000 0.995 258 V HN 0.511 nan 8.190 nan 0.000 0.429 259 R N 3.287 123.476 120.500 -0.519 0.000 2.207 259 R HA 0.454 4.782 4.340 -0.019 0.000 0.334 259 R C -1.668 174.244 176.300 -0.647 0.000 1.013 259 R CA -0.347 55.501 56.100 -0.420 0.000 0.858 259 R CB 0.581 30.764 30.300 -0.194 0.000 1.094 259 R HN 0.660 nan 8.270 nan 0.000 0.457 260 Y N 1.901 121.840 120.300 -0.601 0.000 2.342 260 Y HA 0.276 4.814 4.550 -0.020 0.000 0.334 260 Y C 0.280 175.756 175.900 -0.707 0.000 1.067 260 Y CA -0.487 57.161 58.100 -0.752 0.000 1.128 260 Y CB 2.324 40.014 38.460 -1.282 0.000 1.200 260 Y HN 0.425 nan 8.280 nan 0.000 0.464 261 T N 5.232 119.622 114.554 -0.274 0.000 2.772 261 T HA 0.491 4.830 4.350 -0.019 0.000 0.288 261 T C -0.831 173.805 174.700 -0.106 0.000 0.994 261 T CA -0.529 61.471 62.100 -0.167 0.000 0.951 261 T CB 0.313 69.142 68.868 -0.066 0.000 0.933 261 T HN 0.192 nan 8.240 nan 0.000 0.447 262 L N 3.123 124.301 121.223 -0.076 0.000 2.325 262 L HA 0.860 5.189 4.340 -0.019 0.000 0.278 262 L C 0.118 177.077 176.870 0.149 0.000 1.023 262 L CA -0.396 54.470 54.840 0.043 0.000 0.811 262 L CB 1.458 43.533 42.059 0.026 0.000 1.249 262 L HN 0.796 nan 8.230 nan 0.000 0.431 263 A N 2.681 125.632 122.820 0.219 0.000 2.430 263 A HA 0.842 5.150 4.320 -0.019 0.000 0.300 263 A C -0.455 177.336 177.584 0.344 0.000 1.124 263 A CA -0.848 51.338 52.037 0.248 0.000 0.766 263 A CB 0.940 20.025 19.000 0.143 0.000 1.328 263 A HN 0.596 nan 8.150 nan 0.000 0.424 264 R N 0.521 121.176 120.500 0.259 0.000 2.638 264 R HA 0.199 4.528 4.340 -0.019 0.000 0.268 264 R C 0.224 176.552 176.300 0.046 0.000 1.006 264 R CA 0.435 56.584 56.100 0.082 0.000 1.088 264 R CB 0.089 30.403 30.300 0.023 0.000 0.950 264 R HN 0.790 nan 8.270 nan 0.000 0.419 265 Q N 1.596 121.383 119.800 -0.020 0.000 2.311 265 Q HA 0.299 4.627 4.340 -0.019 0.000 0.272 265 Q C 0.937 176.941 176.000 0.007 0.000 1.012 265 Q CA 0.442 56.249 55.803 0.006 0.000 0.891 265 Q CB 0.731 29.457 28.738 -0.019 0.000 1.201 265 Q HN 0.734 nan 8.270 nan 0.000 0.391 266 G N 2.001 110.813 108.800 0.020 0.000 2.184 266 G HA2 -0.407 3.542 3.960 -0.019 0.000 0.264 266 G HA3 -0.407 3.542 3.960 -0.019 0.000 0.264 266 G C 1.034 175.946 174.900 0.019 0.000 0.975 266 G CA 0.857 45.967 45.100 0.016 0.000 0.642 266 G HN 1.242 nan 8.290 nan 0.000 0.536 267 S N -0.605 115.111 115.700 0.028 0.000 2.402 267 S HA 0.209 4.667 4.470 -0.019 0.000 0.229 267 S C 1.133 175.753 174.600 0.034 0.000 1.021 267 S CA 1.294 59.513 58.200 0.032 0.000 0.974 267 S CB 0.170 63.395 63.200 0.042 0.000 0.800 267 S HN 0.721 nan 8.310 nan 0.000 0.484 268 R N -0.041 120.481 120.500 0.037 0.000 2.771 268 R HA 0.487 4.816 4.340 -0.019 0.000 0.274 268 R C -1.343 174.972 176.300 0.025 0.000 0.987 268 R CA -0.555 55.563 56.100 0.032 0.000 0.908 268 R CB 1.685 32.008 30.300 0.038 0.000 1.213 268 R HN 0.044 nan 8.270 nan 0.000 0.468 269 T N 3.514 118.079 114.554 0.017 0.000 2.780 269 T HA 0.252 4.591 4.350 -0.019 0.000 0.294 269 T C -2.204 172.501 174.700 0.009 0.000 0.949 269 T CA -1.267 60.841 62.100 0.012 0.000 1.074 269 T CB 1.004 69.877 68.868 0.008 0.000 0.910 269 T HN 0.230 nan 8.240 nan 0.000 0.501 270 P HA 0.117 nan 4.420 nan 0.000 0.266 270 P C -0.003 177.292 177.300 -0.007 0.000 1.195 270 P CA -0.305 62.796 63.100 0.002 0.000 0.768 270 P CB 0.351 32.053 31.700 0.004 0.000 0.838 271 S N 1.372 117.062 115.700 -0.016 0.000 2.593 271 S HA 0.311 4.769 4.470 -0.019 0.000 0.269 271 S C 1.424 176.009 174.600 -0.024 0.000 1.334 271 S CA -0.082 58.104 58.200 -0.023 0.000 1.015 271 S CB 0.697 63.875 63.200 -0.036 0.000 0.912 271 S HN 0.491 nan 8.310 nan 0.000 0.541 272 A N 1.624 124.430 122.820 -0.023 0.000 2.076 272 A HA 0.115 4.424 4.320 -0.019 0.000 0.220 272 A C 2.296 179.862 177.584 -0.029 0.000 1.160 272 A CA 1.618 53.642 52.037 -0.022 0.000 0.653 272 A CB -1.540 17.448 19.000 -0.020 0.000 0.801 272 A HN 1.328 nan 8.150 nan 0.000 0.455 273 A N -0.483 122.312 122.820 -0.041 0.000 1.972 273 A HA 0.025 4.333 4.320 -0.019 0.000 0.219 273 A C 2.188 179.739 177.584 -0.054 0.000 1.169 273 A CA 1.718 53.721 52.037 -0.057 0.000 0.635 273 A CB -0.737 18.216 19.000 -0.080 0.000 0.810 273 A HN 0.379 nan 8.150 nan 0.000 0.446 274 V N -0.162 119.726 119.914 -0.044 0.000 2.244 274 V HA -0.224 3.885 4.120 -0.019 0.000 0.244 274 V C 3.060 179.146 176.094 -0.015 0.000 1.042 274 V CA 1.938 64.218 62.300 -0.032 0.000 1.006 274 V CB -1.404 30.408 31.823 -0.019 0.000 0.641 274 V HN 0.586 nan 8.190 nan 0.000 0.446 275 A N -0.801 122.013 122.820 -0.010 0.000 1.940 275 A HA -0.311 3.997 4.320 -0.019 0.000 0.219 275 A C 2.186 179.768 177.584 -0.003 0.000 1.176 275 A CA 2.140 54.175 52.037 -0.002 0.000 0.631 275 A CB -0.542 18.457 19.000 -0.002 0.000 0.814 275 A HN 0.651 nan 8.150 nan 0.000 0.446 276 Q N -1.330 118.463 119.800 -0.011 0.000 2.084 276 Q HA -0.131 4.198 4.340 -0.019 0.000 0.202 276 Q C 2.071 178.068 176.000 -0.004 0.000 0.978 276 Q CA 1.443 57.240 55.803 -0.010 0.000 0.844 276 Q CB -0.269 28.458 28.738 -0.019 0.000 0.898 276 Q HN 0.571 nan 8.270 nan 0.000 0.426 277 L N 0.371 121.586 121.223 -0.013 0.000 2.056 277 L HA -0.124 4.204 4.340 -0.019 0.000 0.207 277 L C 1.885 178.778 176.870 0.038 0.000 1.078 277 L CA 1.422 56.263 54.840 0.002 0.000 0.749 277 L CB -0.383 41.651 42.059 -0.041 0.000 0.901 277 L HN 0.215 nan 8.230 nan 0.000 0.433 278 L N -0.631 120.611 121.223 0.032 0.000 2.013 278 L HA -0.272 4.056 4.340 -0.019 0.000 0.212 278 L C 2.594 179.484 176.870 0.034 0.000 1.073 278 L CA 1.526 56.391 54.840 0.041 0.000 0.753 278 L CB -0.885 41.192 42.059 0.030 0.000 0.890 278 L HN 0.384 nan 8.230 nan 0.000 0.432 279 A N -0.602 122.231 122.820 0.022 0.000 1.968 279 A HA -0.033 4.275 4.320 -0.019 0.000 0.217 279 A C 2.473 180.069 177.584 0.020 0.000 1.169 279 A CA 1.371 53.419 52.037 0.017 0.000 0.638 279 A CB -0.547 18.459 19.000 0.010 0.000 0.812 279 A HN 0.404 nan 8.150 nan 0.000 0.446 280 A N -0.025 122.811 122.820 0.026 0.000 1.930 280 A HA -0.116 4.193 4.320 -0.019 0.000 0.217 280 A C 1.889 179.496 177.584 0.037 0.000 1.175 280 A CA 1.471 53.526 52.037 0.030 0.000 0.627 280 A CB -0.421 18.600 19.000 0.035 0.000 0.815 280 A HN 0.612 nan 8.150 nan 0.000 0.443 281 E N -0.689 119.543 120.200 0.054 0.000 2.077 281 E HA -0.197 4.141 4.350 -0.019 0.000 0.193 281 E C 2.295 178.908 176.600 0.022 0.000 0.989 281 E CA 1.109 57.539 56.400 0.049 0.000 0.800 281 E CB -0.173 29.575 29.700 0.079 0.000 0.746 281 E HN 0.593 nan 8.360 nan 0.000 0.452 282 R N 1.104 121.618 120.500 0.023 0.000 2.081 282 R HA -0.163 4.165 4.340 -0.019 0.000 0.235 282 R C 2.342 178.646 176.300 0.007 0.000 1.131 282 R CA 1.323 57.431 56.100 0.013 0.000 0.960 282 R CB 0.009 30.318 30.300 0.014 0.000 0.856 282 R HN 0.074 nan 8.270 nan 0.000 0.436 283 E N 0.658 120.863 120.200 0.009 0.000 2.150 283 E HA -0.199 4.140 4.350 -0.019 0.000 0.193 283 E C 1.224 177.825 176.600 0.001 0.000 0.985 283 E CA 1.268 57.671 56.400 0.005 0.000 0.814 283 E CB 0.174 29.878 29.700 0.007 0.000 0.752 283 E HN 0.508 nan 8.360 nan 0.000 0.466 284 Q N 0.032 119.832 119.800 0.000 0.000 2.360 284 Q HA 0.037 4.366 4.340 -0.019 0.000 0.202 284 Q C -0.514 175.475 176.000 -0.019 0.000 0.915 284 Q CA 0.097 55.896 55.803 -0.008 0.000 0.943 284 Q CB 0.368 29.102 28.738 -0.007 0.000 1.064 284 Q HN 0.238 nan 8.270 nan 0.000 0.511 285 E N -0.102 120.088 120.200 -0.017 0.000 2.328 285 E HA -0.262 4.077 4.350 -0.019 0.000 0.233 285 E C 0.586 177.158 176.600 -0.047 0.000 1.219 285 E CA 0.052 56.437 56.400 -0.026 0.000 0.717 285 E CB -1.300 28.386 29.700 -0.024 0.000 1.210 285 E HN 0.294 nan 8.360 nan 0.000 0.381 286 L N 0.011 121.204 121.223 -0.050 0.000 2.012 286 L HA -0.165 4.163 4.340 -0.019 0.000 0.210 286 L C 1.811 178.610 176.870 -0.118 0.000 1.073 286 L CA 2.556 57.342 54.840 -0.089 0.000 0.748 286 L CB -0.096 41.913 42.059 -0.083 0.000 0.891 286 L HN 0.170 nan 8.230 nan 0.000 0.431 287 S N -0.815 114.835 115.700 -0.084 0.000 2.605 287 S HA 0.051 4.509 4.470 -0.019 0.000 0.217 287 S C 0.392 174.938 174.600 -0.091 0.000 0.958 287 S CA -0.353 57.792 58.200 -0.093 0.000 0.919 287 S CB -0.638 62.538 63.200 -0.040 0.000 0.780 287 S HN 0.525 nan 8.310 nan 0.000 0.507 288 D N 1.341 121.693 120.400 -0.081 0.000 2.382 288 D HA 0.042 4.670 4.640 -0.019 0.000 0.245 288 D C 1.201 177.441 176.300 -0.099 0.000 1.120 288 D CA -0.112 53.849 54.000 -0.065 0.000 0.890 288 D CB 0.634 41.407 40.800 -0.045 0.000 1.201 288 D HN -0.041 nan 8.370 nan 0.000 0.433 289 M N 3.108 122.667 119.600 -0.069 0.000 2.149 289 M HA -0.161 4.308 4.480 -0.019 0.000 0.261 289 M C 2.023 178.278 176.300 -0.076 0.000 1.064 289 M CA 1.120 56.374 55.300 -0.077 0.000 1.102 289 M CB -1.420 31.176 32.600 -0.006 0.000 1.369 289 M HN 0.591 nan 8.290 nan 0.000 0.408 290 A N -0.570 122.222 122.820 -0.046 0.000 1.972 290 A HA -0.126 4.182 4.320 -0.019 0.000 0.219 290 A C 2.298 179.857 177.584 -0.042 0.000 1.169 290 A CA 2.104 54.123 52.037 -0.031 0.000 0.635 290 A CB -0.956 18.034 19.000 -0.016 0.000 0.810 290 A HN 0.479 nan 8.150 nan 0.000 0.446 291 T N 0.433 114.945 114.554 -0.069 0.000 2.777 291 T HA -0.032 4.307 4.350 -0.019 0.000 0.266 291 T C 1.774 176.420 174.700 -0.091 0.000 1.040 291 T CA 1.406 63.466 62.100 -0.068 0.000 1.141 291 T CB -0.328 68.486 68.868 -0.090 0.000 0.868 291 T HN 0.390 nan 8.240 nan 0.000 0.444 292 L N 0.159 121.247 121.223 -0.224 0.000 2.109 292 L HA 0.035 4.363 4.340 -0.019 0.000 0.207 292 L C 2.835 179.598 176.870 -0.178 0.000 1.086 292 L CA 1.143 55.711 54.840 -0.453 0.000 0.760 292 L CB -0.432 40.904 42.059 -1.204 0.000 0.910 292 L HN 0.100 nan 8.230 nan 0.000 0.437 293 R N -0.030 120.431 120.500 -0.064 0.000 2.115 293 R HA -0.062 4.266 4.340 -0.019 0.000 0.226 293 R C 2.456 178.796 176.300 0.068 0.000 1.100 293 R CA 1.107 57.255 56.100 0.079 0.000 0.980 293 R CB -0.285 30.055 30.300 0.067 0.000 0.875 293 R HN 0.335 nan 8.270 nan 0.000 0.445 294 A N 0.596 123.445 122.820 0.047 0.000 1.933 294 A HA -0.203 4.105 4.320 -0.019 0.000 0.218 294 A C 1.892 179.525 177.584 0.080 0.000 1.175 294 A CA 1.126 53.192 52.037 0.048 0.000 0.628 294 A CB -0.628 18.393 19.000 0.036 0.000 0.814 294 A HN 0.442 nan 8.150 nan 0.000 0.444 295 F N 1.269 121.206 119.950 -0.021 0.000 2.095 295 F HA -0.096 4.421 4.527 -0.016 0.000 0.298 295 F C 2.405 178.233 175.800 0.047 0.000 1.104 295 F CA 1.386 59.392 58.000 0.010 0.000 1.232 295 F CB -0.581 38.414 39.000 -0.008 0.000 0.987 295 F HN 0.230 nan 8.300 nan 0.000 0.475 296 A N 0.474 123.214 122.820 -0.135 0.000 1.933 296 A HA -0.031 4.278 4.320 -0.019 0.000 0.218 296 A C 2.466 179.923 177.584 -0.212 0.000 1.175 296 A CA 1.629 53.514 52.037 -0.253 0.000 0.628 296 A CB -1.837 17.199 19.000 0.060 0.000 0.814 296 A HN 0.556 nan 8.150 nan 0.000 0.444 297 G N -0.380 108.361 108.800 -0.098 0.000 2.422 297 G HA2 -0.247 3.702 3.960 -0.019 0.000 0.218 297 G HA3 -0.247 3.702 3.960 -0.019 0.000 0.218 297 G C 1.441 176.281 174.900 -0.099 0.000 1.140 297 G CA 1.121 46.175 45.100 -0.075 0.000 0.775 297 G HN 0.568 nan 8.290 nan 0.000 0.545 298 N N 0.100 118.734 118.700 -0.110 0.000 2.244 298 N HA -0.084 4.644 4.740 -0.019 0.000 0.183 298 N C 2.201 177.619 175.510 -0.152 0.000 1.016 298 N CA 0.814 53.811 53.050 -0.089 0.000 0.866 298 N CB -0.119 38.357 38.487 -0.019 0.000 0.980 298 N HN 0.129 nan 8.380 nan 0.000 0.430 299 V N -0.470 119.244 119.914 -0.334 0.000 2.332 299 V HA -0.189 3.920 4.120 -0.019 0.000 0.248 299 V C 2.191 178.094 176.094 -0.319 0.000 1.055 299 V CA 1.263 63.273 62.300 -0.484 0.000 1.038 299 V CB -0.431 30.926 31.823 -0.778 0.000 0.651 299 V HN 0.157 nan 8.190 nan 0.000 0.450 300 V N -0.287 119.525 119.914 -0.170 0.000 2.427 300 V HA -0.256 3.852 4.120 -0.019 0.000 0.248 300 V C 2.417 178.475 176.094 -0.060 0.000 1.051 300 V CA 2.256 64.525 62.300 -0.052 0.000 1.048 300 V CB -0.568 31.235 31.823 -0.032 0.000 0.666 300 V HN 0.561 nan 8.190 nan 0.000 0.456 301 K N 0.086 120.453 120.400 -0.056 0.000 2.026 301 K HA -0.159 4.149 4.320 -0.019 0.000 0.208 301 K C 2.115 178.714 176.600 -0.001 0.000 1.048 301 K CA 1.731 58.002 56.287 -0.026 0.000 0.929 301 K CB -0.233 32.257 32.500 -0.016 0.000 0.713 301 K HN 0.397 nan 8.250 nan 0.000 0.439 302 I N 0.842 121.420 120.570 0.013 0.000 2.163 302 I HA -0.326 3.832 4.170 -0.019 0.000 0.243 302 I C 2.789 178.957 176.117 0.085 0.000 1.085 302 I CA 1.290 62.646 61.300 0.093 0.000 1.347 302 I CB -0.384 37.735 38.000 0.198 0.000 1.044 302 I HN 0.297 nan 8.210 nan 0.000 0.408 303 R N 1.013 121.524 120.500 0.019 0.000 2.096 303 R HA -0.241 4.087 4.340 -0.019 0.000 0.240 303 R C 1.824 178.111 176.300 -0.022 0.000 1.139 303 R CA 2.401 58.504 56.100 0.004 0.000 0.952 303 R CB -0.273 29.960 30.300 -0.111 0.000 0.854 303 R HN 0.321 nan 8.270 nan 0.000 0.436 304 D N 0.107 120.483 120.400 -0.039 0.000 2.144 304 D HA -0.122 4.507 4.640 -0.019 0.000 0.200 304 D C 1.798 178.095 176.300 -0.005 0.000 0.978 304 D CA 1.251 55.226 54.000 -0.041 0.000 0.833 304 D CB -0.116 40.656 40.800 -0.046 0.000 0.961 304 D HN 0.450 nan 8.370 nan 0.000 0.470 305 E N -0.134 120.078 120.200 0.019 0.000 2.072 305 E HA -0.116 4.223 4.350 -0.019 0.000 0.190 305 E C 1.968 178.600 176.600 0.054 0.000 0.982 305 E CA 0.243 56.666 56.400 0.038 0.000 0.803 305 E CB 0.006 29.738 29.700 0.052 0.000 0.755 305 E HN 0.103 nan 8.360 nan 0.000 0.453 306 L N 1.276 122.541 121.223 0.070 0.000 2.056 306 L HA -0.143 4.185 4.340 -0.019 0.000 0.207 306 L C 2.551 179.459 176.870 0.064 0.000 1.078 306 L CA 2.317 57.203 54.840 0.076 0.000 0.749 306 L CB -0.924 41.188 42.059 0.089 0.000 0.901 306 L HN 0.201 nan 8.230 nan 0.000 0.433 307 T N -2.936 111.657 114.554 0.065 0.000 2.746 307 T HA -0.117 4.222 4.350 -0.019 0.000 0.267 307 T C 1.928 176.726 174.700 0.163 0.000 1.039 307 T CA 1.095 63.268 62.100 0.122 0.000 1.142 307 T CB -0.913 68.002 68.868 0.078 0.000 0.866 307 T HN 0.341 nan 8.240 nan 0.000 0.444 308 A N 1.656 124.519 122.820 0.071 0.000 1.902 308 A HA 0.106 4.415 4.320 -0.019 0.000 0.217 308 A C 2.347 179.972 177.584 0.069 0.000 1.181 308 A CA 1.665 53.736 52.037 0.058 0.000 0.623 308 A CB -0.962 18.048 19.000 0.017 0.000 0.818 308 A HN 0.503 nan 8.150 nan 0.000 0.443 309 L N -0.207 121.042 121.223 0.044 0.000 2.017 309 L HA -0.118 4.211 4.340 -0.019 0.000 0.208 309 L C 2.288 179.151 176.870 -0.012 0.000 1.073 309 L CA 1.772 56.616 54.840 0.006 0.000 0.745 309 L CB -0.533 41.522 42.059 -0.006 0.000 0.894 309 L HN 0.399 nan 8.230 nan 0.000 0.432 310 L N -1.158 120.068 121.223 0.005 0.000 2.042 310 L HA -0.264 4.065 4.340 -0.019 0.000 0.210 310 L C 2.549 179.367 176.870 -0.087 0.000 1.076 310 L CA 1.505 56.316 54.840 -0.048 0.000 0.749 310 L CB -0.759 41.268 42.059 -0.054 0.000 0.893 310 L HN 0.396 nan 8.230 nan 0.000 0.432 311 H N -1.098 117.965 119.070 -0.011 0.000 2.389 311 H HA -0.141 4.388 4.556 -0.044 0.000 0.299 311 H C 2.381 177.705 175.328 -0.007 0.000 1.081 311 H CA 1.485 57.530 56.048 -0.006 0.000 1.345 311 H CB -0.007 29.750 29.762 -0.009 0.000 1.393 311 H HN 0.155 nan 8.280 nan 0.000 0.520 312 R N 0.614 121.166 120.500 0.087 0.000 2.075 312 R HA -0.088 4.240 4.340 -0.019 0.000 0.232 312 R C 1.884 178.189 176.300 0.009 0.000 1.126 312 R CA 1.023 57.147 56.100 0.039 0.000 0.963 312 R CB -0.247 30.064 30.300 0.017 0.000 0.858 312 R HN 0.286 nan 8.270 nan 0.000 0.435 313 L N 0.352 121.557 121.223 -0.030 0.000 2.012 313 L HA -0.203 4.125 4.340 -0.019 0.000 0.210 313 L C 2.912 179.788 176.870 0.010 0.000 1.073 313 L CA 1.824 56.638 54.840 -0.044 0.000 0.748 313 L CB -0.519 41.463 42.059 -0.128 0.000 0.891 313 L HN 0.292 nan 8.230 nan 0.000 0.431 314 R N 0.351 120.849 120.500 -0.002 0.000 2.081 314 R HA -0.174 4.154 4.340 -0.019 0.000 0.235 314 R C 2.255 178.575 176.300 0.033 0.000 1.131 314 R CA 1.465 57.574 56.100 0.015 0.000 0.960 314 R CB -0.250 30.035 30.300 -0.024 0.000 0.856 314 R HN 0.338 nan 8.270 nan 0.000 0.436 315 A N 0.807 123.650 122.820 0.038 0.000 2.067 315 A HA -0.092 4.216 4.320 -0.019 0.000 0.219 315 A C 1.341 178.948 177.584 0.037 0.000 1.158 315 A CA 1.229 53.291 52.037 0.042 0.000 0.661 315 A CB -0.118 18.909 19.000 0.045 0.000 0.801 315 A HN 0.428 nan 8.150 nan 0.000 0.452 316 E N -0.880 119.343 120.200 0.039 0.000 2.463 316 E HA 0.217 4.555 4.350 -0.019 0.000 0.193 316 E C 0.911 177.544 176.600 0.054 0.000 1.041 316 E CA 0.407 56.833 56.400 0.043 0.000 0.879 316 E CB -0.170 29.557 29.700 0.045 0.000 0.997 316 E HN 0.694 nan 8.360 nan 0.000 0.478 317 G N 2.902 111.735 108.800 0.055 0.000 2.249 317 G HA2 -0.278 3.670 3.960 -0.019 0.000 0.273 317 G HA3 -0.278 3.670 3.960 -0.019 0.000 0.273 317 G C 0.038 174.990 174.900 0.087 0.000 1.036 317 G CA 0.090 45.227 45.100 0.061 0.000 0.824 317 G HN 0.019 nan 8.290 nan 0.000 0.504 318 R N 0.444 121.014 120.500 0.116 0.000 2.349 318 R HA 0.522 4.850 4.340 -0.019 0.000 0.299 318 R C 0.729 177.150 176.300 0.201 0.000 1.027 318 R CA 0.114 56.328 56.100 0.189 0.000 0.958 318 R CB 1.229 31.714 30.300 0.309 0.000 1.047 318 R HN 0.577 nan 8.270 nan 0.000 0.468 319 S N 0.488 116.319 115.700 0.218 0.000 2.586 319 S HA 0.565 5.024 4.470 -0.019 0.000 0.274 319 S C 0.146 174.918 174.600 0.287 0.000 1.281 319 S CA -0.769 57.578 58.200 0.246 0.000 1.035 319 S CB 1.462 64.818 63.200 0.260 0.000 0.962 319 S HN 0.268 nan 8.310 nan 0.000 0.512 320 V N 2.406 122.460 119.914 0.232 0.000 2.686 320 V HA 0.673 4.781 4.120 -0.019 0.000 0.306 320 V C 0.002 176.107 176.094 0.017 0.000 1.065 320 V CA -0.659 61.747 62.300 0.176 0.000 0.894 320 V CB 1.458 33.354 31.823 0.122 0.000 1.004 320 V HN 1.065 nan 8.190 nan 0.000 0.424 321 V N 1.609 121.543 119.914 0.034 0.000 3.164 321 V HA 1.107 5.215 4.120 -0.019 0.000 0.313 321 V C 0.230 176.355 176.094 0.051 0.000 1.188 321 V CA -0.380 61.889 62.300 -0.051 0.000 1.058 321 V CB 1.867 33.738 31.823 0.079 0.000 1.110 321 V HN 0.983 nan 8.190 nan 0.000 0.453 322 G N -0.986 107.859 108.800 0.075 0.000 2.511 322 G HA2 0.638 4.586 3.960 -0.019 0.000 0.318 322 G HA3 0.638 4.586 3.960 -0.019 0.000 0.318 322 G C -2.237 172.787 174.900 0.206 0.000 1.210 322 G CA -0.643 44.497 45.100 0.066 0.000 0.969 322 G HN 0.955 nan 8.290 nan 0.000 0.484 323 Y N 0.100 120.461 120.300 0.101 0.000 2.327 323 Y HA 0.533 5.071 4.550 -0.020 0.000 0.325 323 Y C 0.200 176.219 175.900 0.198 0.000 0.999 323 Y CA -0.200 57.964 58.100 0.106 0.000 1.195 323 Y CB 1.566 40.044 38.460 0.029 0.000 1.132 323 Y HN 1.451 nan 8.280 nan 0.000 0.455 324 G N 3.592 112.573 108.800 0.301 0.000 3.445 324 G HA2 0.253 4.201 3.960 -0.019 0.000 0.686 324 G HA3 0.253 4.201 3.960 -0.019 0.000 0.686 324 G C -0.496 174.554 174.900 0.250 0.000 1.113 324 G CA -0.479 44.784 45.100 0.273 0.000 0.974 324 G HN 1.313 nan 8.290 nan 0.000 0.492 325 A N 3.000 125.875 122.820 0.093 0.000 3.077 325 A HA 0.644 4.952 4.320 -0.019 0.000 0.255 325 A C 1.392 179.029 177.584 0.088 0.000 1.728 325 A CA 0.902 52.972 52.037 0.056 0.000 1.383 325 A CB -0.786 18.162 19.000 -0.086 0.000 1.097 325 A HN 2.237 nan 8.150 nan 0.000 0.634 326 T N -2.341 112.250 114.554 0.062 0.000 2.900 326 T HA 0.416 4.755 4.350 -0.019 0.000 0.307 326 T C 1.432 176.085 174.700 -0.079 0.000 1.065 326 T CA -0.072 62.041 62.100 0.023 0.000 1.105 326 T CB 1.296 70.174 68.868 0.016 0.000 0.979 326 T HN 0.716 nan 8.240 nan 0.000 0.544 327 A N 2.232 124.950 122.820 -0.171 0.000 1.908 327 A HA -0.119 4.189 4.320 -0.019 0.000 0.218 327 A C 2.378 179.471 177.584 -0.818 0.000 1.181 327 A CA 1.657 53.413 52.037 -0.468 0.000 0.627 327 A CB -0.813 17.862 19.000 -0.541 0.000 0.818 327 A HN 0.948 nan 8.150 nan 0.000 0.445 328 K N 0.342 120.302 120.400 -0.733 0.000 2.113 328 K HA -0.178 4.130 4.320 -0.019 0.000 0.208 328 K C 2.325 178.756 176.600 -0.282 0.000 1.047 328 K CA 1.734 57.729 56.287 -0.486 0.000 0.928 328 K CB -0.298 32.157 32.500 -0.075 0.000 0.716 328 K HN 0.715 nan 8.250 nan 0.000 0.446 329 S N 0.785 116.300 115.700 -0.307 0.000 2.442 329 S HA -0.096 4.363 4.470 -0.019 0.000 0.236 329 S C 2.202 176.575 174.600 -0.379 0.000 1.007 329 S CA 0.879 58.783 58.200 -0.492 0.000 0.965 329 S CB -0.224 62.256 63.200 -1.201 0.000 0.773 329 S HN 0.311 nan 8.310 nan 0.000 0.504 330 A N 1.944 124.579 122.820 -0.307 0.000 1.948 330 A HA -0.097 4.212 4.320 -0.019 0.000 0.220 330 A C 2.412 179.943 177.584 -0.088 0.000 1.177 330 A CA 2.224 54.142 52.037 -0.198 0.000 0.636 330 A CB -1.736 17.153 19.000 -0.185 0.000 0.815 330 A HN 0.575 nan 8.150 nan 0.000 0.449 331 T N -0.451 114.069 114.554 -0.055 0.000 2.746 331 T HA -0.103 4.235 4.350 -0.019 0.000 0.267 331 T C 1.888 176.692 174.700 0.173 0.000 1.039 331 T CA 1.531 63.678 62.100 0.077 0.000 1.142 331 T CB -0.408 68.530 68.868 0.117 0.000 0.866 331 T HN 0.192 nan 8.240 nan 0.000 0.444 332 V N 2.266 122.215 119.914 0.059 0.000 2.261 332 V HA -0.191 3.918 4.120 -0.019 0.000 0.246 332 V C 3.019 179.194 176.094 0.135 0.000 1.047 332 V CA 2.250 64.621 62.300 0.118 0.000 1.015 332 V CB -1.382 30.421 31.823 -0.034 0.000 0.642 332 V HN 0.712 nan 8.190 nan 0.000 0.446 333 T N -1.876 112.698 114.554 0.034 0.000 2.857 333 T HA -0.125 4.213 4.350 -0.019 0.000 0.266 333 T C 1.684 176.402 174.700 0.030 0.000 1.048 333 T CA 1.426 63.550 62.100 0.039 0.000 1.139 333 T CB -0.421 68.434 68.868 -0.022 0.000 0.874 333 T HN 0.447 nan 8.240 nan 0.000 0.455 334 N N 0.418 119.135 118.700 0.028 0.000 2.250 334 N HA 0.047 4.775 4.740 -0.019 0.000 0.181 334 N C 1.533 177.095 175.510 0.087 0.000 1.017 334 N CA 0.855 53.917 53.050 0.021 0.000 0.866 334 N CB -0.359 38.120 38.487 -0.013 0.000 0.985 334 N HN 0.377 nan 8.380 nan 0.000 0.429 335 F N 1.948 121.904 119.950 0.009 0.000 2.186 335 F HA -0.102 4.424 4.527 -0.002 0.000 0.299 335 F C 2.140 177.939 175.800 -0.002 0.000 1.090 335 F CA 0.984 58.989 58.000 0.007 0.000 1.307 335 F CB -0.222 38.814 39.000 0.060 0.000 1.019 335 F HN -0.013 nan 8.300 nan 0.000 0.489 336 C N 0.265 119.576 119.300 0.018 0.000 2.594 336 C HA 0.412 4.861 4.460 -0.019 0.000 0.265 336 C C 1.684 176.628 174.990 -0.077 0.000 1.351 336 C CA 0.512 59.473 59.018 -0.095 0.000 1.744 336 C CB -1.126 26.638 27.740 0.040 0.000 1.890 336 C HN 0.818 nan 8.230 nan 0.000 0.551 337 G N 1.450 110.224 108.800 -0.044 0.000 2.248 337 G HA2 -0.238 3.710 3.960 -0.019 0.000 0.263 337 G HA3 -0.238 3.710 3.960 -0.019 0.000 0.263 337 G C -0.301 174.608 174.900 0.015 0.000 1.082 337 G CA -0.241 44.842 45.100 -0.028 0.000 0.863 337 G HN 0.589 nan 8.290 nan 0.000 0.495 338 I N 1.050 121.636 120.570 0.027 0.000 2.330 338 I HA 0.615 4.774 4.170 -0.019 0.000 0.289 338 I C 1.053 177.195 176.117 0.041 0.000 1.001 338 I CA 0.091 61.419 61.300 0.047 0.000 1.193 338 I CB 1.347 39.398 38.000 0.085 0.000 1.345 338 I HN 0.257 nan 8.210 nan 0.000 0.461 339 G N 6.293 115.113 108.800 0.033 0.000 3.222 339 G HA2 0.460 4.408 3.960 -0.019 0.000 0.263 339 G HA3 0.460 4.408 3.960 -0.019 0.000 0.263 339 G C -2.336 172.599 174.900 0.058 0.000 1.312 339 G CA -0.673 44.451 45.100 0.040 0.000 0.934 339 G HN 0.298 nan 8.290 nan 0.000 0.577 340 P HA 0.021 nan 4.420 nan 0.000 0.226 340 P C 0.537 177.888 177.300 0.086 0.000 1.153 340 P CA 0.821 63.977 63.100 0.094 0.000 0.777 340 P CB 0.229 31.988 31.700 0.099 0.000 0.794 341 D N -0.381 120.051 120.400 0.054 0.000 2.263 341 D HA -0.066 4.563 4.640 -0.019 0.000 0.208 341 D C 1.856 178.160 176.300 0.007 0.000 0.971 341 D CA 0.962 54.983 54.000 0.034 0.000 0.867 341 D CB -0.187 40.624 40.800 0.018 0.000 0.929 341 D HN 0.303 nan 8.370 nan 0.000 0.492 342 L N -0.730 120.489 121.223 -0.008 0.000 2.609 342 L HA 0.156 4.484 4.340 -0.019 0.000 0.230 342 L C 0.115 176.994 176.870 0.016 0.000 1.064 342 L CA 0.141 54.952 54.840 -0.049 0.000 0.873 342 L CB 1.147 43.128 42.059 -0.131 0.000 1.139 342 L HN -0.262 nan 8.230 nan 0.000 0.490 343 V N -0.221 119.726 119.914 0.055 0.000 2.462 343 V HA 0.100 4.208 4.120 -0.019 0.000 0.288 343 V C 0.337 176.478 176.094 0.079 0.000 1.020 343 V CA -0.614 61.719 62.300 0.056 0.000 0.857 343 V CB 1.118 32.991 31.823 0.084 0.000 1.013 343 V HN 0.326 nan 8.190 nan 0.000 0.431 344 H N 1.724 120.851 119.070 0.095 0.000 2.470 344 H HA 0.318 4.860 4.556 -0.023 0.000 0.289 344 H C 0.587 175.942 175.328 0.045 0.000 1.033 344 H CA 0.713 56.805 56.048 0.073 0.000 1.331 344 H CB 0.351 30.160 29.762 0.077 0.000 1.414 344 H HN 0.494 nan 8.280 nan 0.000 0.545 345 S N -0.658 115.001 115.700 -0.068 0.000 2.570 345 S HA 0.589 5.048 4.470 -0.019 0.000 0.270 345 S C -1.461 173.001 174.600 -0.229 0.000 1.149 345 S CA -0.738 57.388 58.200 -0.124 0.000 0.837 345 S CB 2.640 65.712 63.200 -0.213 0.000 1.124 345 S HN 0.090 nan 8.310 nan 0.000 0.465 346 V N 2.303 122.050 119.914 -0.279 0.000 2.540 346 V HA 0.482 4.590 4.120 -0.019 0.000 0.302 346 V C -1.620 174.196 176.094 -0.464 0.000 1.035 346 V CA -0.614 61.570 62.300 -0.193 0.000 0.873 346 V CB 1.193 33.055 31.823 0.065 0.000 0.992 346 V HN 0.850 nan 8.190 nan 0.000 0.428 347 Y N 2.530 122.710 120.300 -0.199 0.000 2.323 347 Y HA 0.647 5.187 4.550 -0.017 0.000 0.331 347 Y C 0.155 175.794 175.900 -0.435 0.000 1.092 347 Y CA -0.400 57.484 58.100 -0.360 0.000 1.150 347 Y CB 1.637 39.730 38.460 -0.611 0.000 1.200 347 Y HN 0.752 nan 8.280 nan 0.000 0.472 348 D N -0.636 119.659 120.400 -0.175 0.000 2.803 348 D HA 0.197 4.825 4.640 -0.019 0.000 0.218 348 D C -0.015 176.219 176.300 -0.111 0.000 1.245 348 D CA -0.435 53.472 54.000 -0.154 0.000 0.821 348 D CB 1.360 42.069 40.800 -0.153 0.000 1.626 348 D HN 0.523 nan 8.370 nan 0.000 0.487 349 T N -0.936 113.566 114.554 -0.087 0.000 3.129 349 T HA 0.122 4.461 4.350 -0.019 0.000 0.251 349 T C 0.603 175.237 174.700 -0.110 0.000 1.117 349 T CA 0.061 62.117 62.100 -0.072 0.000 1.034 349 T CB -0.196 68.644 68.868 -0.047 0.000 0.968 349 T HN 0.287 nan 8.240 nan 0.000 0.526 350 T N 4.024 118.493 114.554 -0.143 0.000 2.723 350 T HA 0.267 4.605 4.350 -0.019 0.000 0.297 350 T C -1.803 172.782 174.700 -0.192 0.000 0.925 350 T CA -1.170 60.814 62.100 -0.193 0.000 1.030 350 T CB 1.476 70.227 68.868 -0.195 0.000 0.905 350 T HN 0.006 nan 8.240 nan 0.000 0.502 351 P HA -0.095 nan 4.420 nan 0.000 0.215 351 P C 1.155 178.381 177.300 -0.123 0.000 1.153 351 P CA 0.877 63.893 63.100 -0.140 0.000 0.853 351 P CB 0.183 31.804 31.700 -0.132 0.000 0.788 352 D N -1.024 119.297 120.400 -0.132 0.000 2.350 352 D HA -0.097 4.532 4.640 -0.019 0.000 0.216 352 D C 1.433 177.666 176.300 -0.112 0.000 0.968 352 D CA 1.001 54.962 54.000 -0.066 0.000 0.894 352 D CB -0.139 40.666 40.800 0.009 0.000 0.909 352 D HN 0.312 nan 8.370 nan 0.000 0.520 353 K N -0.194 120.063 120.400 -0.239 0.000 2.354 353 K HA 0.112 4.421 4.320 -0.019 0.000 0.194 353 K C 0.639 177.088 176.600 -0.251 0.000 1.045 353 K CA -0.080 55.949 56.287 -0.430 0.000 1.026 353 K CB 0.547 32.564 32.500 -0.806 0.000 0.866 353 K HN 0.140 nan 8.250 nan 0.000 0.530 354 Q N 1.245 120.947 119.800 -0.163 0.000 2.394 354 Q HA 0.108 4.436 4.340 -0.019 0.000 0.248 354 Q C -0.224 175.742 176.000 -0.056 0.000 0.992 354 Q CA -0.093 55.648 55.803 -0.103 0.000 0.888 354 Q CB 0.442 29.132 28.738 -0.080 0.000 1.257 354 Q HN 0.154 nan 8.270 nan 0.000 0.462 355 N N 0.690 119.367 118.700 -0.038 0.000 2.725 355 N HA -0.205 4.524 4.740 -0.019 0.000 0.249 355 N C -0.857 174.656 175.510 0.005 0.000 1.103 355 N CA 1.095 54.137 53.050 -0.013 0.000 0.707 355 N CB -0.709 37.773 38.487 -0.008 0.000 1.043 355 N HN 0.541 nan 8.380 nan 0.000 0.553 356 R N -0.450 120.059 120.500 0.015 0.000 2.922 356 R HA 0.729 5.057 4.340 -0.019 0.000 0.256 356 R C -0.233 176.125 176.300 0.096 0.000 1.138 356 R CA -0.790 55.351 56.100 0.068 0.000 0.995 356 R CB 1.194 31.568 30.300 0.125 0.000 1.226 356 R HN -0.046 nan 8.270 nan 0.000 0.481 357 L N 0.765 122.068 121.223 0.134 0.000 2.346 357 L HA 0.444 4.772 4.340 -0.019 0.000 0.274 357 L C 0.340 177.340 176.870 0.217 0.000 1.007 357 L CA -1.011 53.912 54.840 0.138 0.000 0.818 357 L CB 1.987 44.085 42.059 0.065 0.000 1.284 357 L HN 0.781 nan 8.230 nan 0.000 0.424 358 T N -0.144 114.534 114.554 0.206 0.000 2.903 358 T HA 0.198 4.536 4.350 -0.019 0.000 0.314 358 T C -2.375 172.330 174.700 0.010 0.000 1.078 358 T CA -1.202 60.968 62.100 0.117 0.000 1.114 358 T CB 0.474 69.387 68.868 0.076 0.000 0.987 358 T HN 0.342 nan 8.240 nan 0.000 0.548 359 P HA 0.253 nan 4.420 nan 0.000 0.271 359 P C 1.222 178.466 177.300 -0.093 0.000 1.220 359 P CA 0.789 63.815 63.100 -0.124 0.000 0.768 359 P CB 0.590 32.141 31.700 -0.248 0.000 0.848 360 G N 3.840 112.582 108.800 -0.096 0.000 2.990 360 G HA2 -0.418 3.530 3.960 -0.019 0.000 0.225 360 G HA3 -0.418 3.530 3.960 -0.019 0.000 0.225 360 G C 1.144 175.686 174.900 -0.596 0.000 1.304 360 G CA 0.576 45.508 45.100 -0.282 0.000 0.816 360 G HN 0.695 nan 8.290 nan 0.000 0.528 361 A N -1.117 121.499 122.820 -0.340 0.000 2.030 361 A HA 0.434 4.742 4.320 -0.019 0.000 0.215 361 A C 1.339 178.846 177.584 -0.129 0.000 1.164 361 A CA 1.634 53.524 52.037 -0.246 0.000 0.697 361 A CB -0.255 18.695 19.000 -0.085 0.000 0.827 361 A HN 1.551 nan 8.150 nan 0.000 0.457 362 H N -1.776 117.295 119.070 0.002 0.000 2.941 362 H HA -0.117 4.439 4.556 -0.000 0.000 0.279 362 H C -0.266 175.082 175.328 0.032 0.000 1.247 362 H CA 0.641 56.698 56.048 0.016 0.000 1.129 362 H CB -2.592 27.179 29.762 0.014 0.000 1.313 362 H HN 0.543 nan 8.280 nan 0.000 0.384 363 I N 1.832 122.488 120.570 0.143 0.000 2.441 363 I HA 0.144 4.302 4.170 -0.019 0.000 0.287 363 I C -1.667 174.504 176.117 0.091 0.000 1.049 363 I CA -1.535 59.831 61.300 0.110 0.000 1.381 363 I CB 0.833 38.896 38.000 0.105 0.000 1.409 363 I HN -0.166 nan 8.210 nan 0.000 0.523 364 P HA 0.072 nan 4.420 nan 0.000 0.271 364 P C -0.750 176.531 177.300 -0.032 0.000 1.216 364 P CA -0.074 63.043 63.100 0.027 0.000 0.771 364 P CB 0.635 32.348 31.700 0.021 0.000 0.864 365 V N 5.705 125.597 119.914 -0.037 0.000 2.394 365 V HA 0.447 4.556 4.120 -0.019 0.000 0.282 365 V C 0.482 176.493 176.094 -0.138 0.000 1.031 365 V CA -0.327 61.907 62.300 -0.110 0.000 0.881 365 V CB 1.001 32.770 31.823 -0.089 0.000 0.982 365 V HN 0.472 nan 8.190 nan 0.000 0.451 366 R N 4.081 124.444 120.500 -0.230 0.000 2.854 366 R HA 0.563 4.891 4.340 -0.019 0.000 0.271 366 R C -2.945 173.334 176.300 -0.035 0.000 0.994 366 R CA -2.760 53.263 56.100 -0.129 0.000 0.945 366 R CB 1.599 31.814 30.300 -0.142 0.000 1.194 366 R HN 0.318 nan 8.270 nan 0.000 0.476 367 P HA 0.041 nan 4.420 nan 0.000 0.268 367 P C 0.228 177.614 177.300 0.143 0.000 1.205 367 P CA 0.163 63.292 63.100 0.049 0.000 0.771 367 P CB 0.488 32.213 31.700 0.040 0.000 0.858 368 A N 2.937 125.791 122.820 0.056 0.000 2.024 368 A HA -0.192 4.116 4.320 -0.019 0.000 0.220 368 A C 2.005 179.655 177.584 0.111 0.000 1.164 368 A CA 2.136 54.196 52.037 0.038 0.000 0.643 368 A CB -1.684 17.298 19.000 -0.029 0.000 0.806 368 A HN 0.615 nan 8.150 nan 0.000 0.451 369 S N 0.034 115.792 115.700 0.097 0.000 2.469 369 S HA 0.063 4.522 4.470 -0.019 0.000 0.238 369 S C 1.774 176.423 174.600 0.080 0.000 0.998 369 S CA 0.962 59.216 58.200 0.090 0.000 0.957 369 S CB -0.485 62.751 63.200 0.060 0.000 0.764 369 S HN 0.867 nan 8.310 nan 0.000 0.514 370 A N 0.532 123.422 122.820 0.118 0.000 2.206 370 A HA 0.316 4.624 4.320 -0.019 0.000 0.211 370 A C 0.576 178.138 177.584 -0.037 0.000 1.158 370 A CA -0.034 52.071 52.037 0.114 0.000 0.761 370 A CB -0.575 18.592 19.000 0.279 0.000 0.801 370 A HN 0.520 nan 8.150 nan 0.000 0.473 371 F N 2.325 122.048 119.950 -0.377 0.000 2.423 371 F HA 0.477 4.992 4.527 -0.020 0.000 0.356 371 F C 0.380 176.074 175.800 -0.176 0.000 1.170 371 F CA -0.107 57.553 58.000 -0.567 0.000 1.163 371 F CB 0.168 38.810 39.000 -0.596 0.000 1.318 371 F HN 0.148 nan 8.300 nan 0.000 0.569 372 S N 3.187 118.499 115.700 -0.646 0.000 2.611 372 S HA 0.251 4.709 4.470 -0.019 0.000 0.268 372 S C -1.286 172.520 174.600 -1.322 0.000 1.156 372 S CA -1.316 56.395 58.200 -0.815 0.000 0.817 372 S CB 1.103 64.124 63.200 -0.298 0.000 1.122 372 S HN 0.436 nan 8.310 nan 0.000 0.466 373 D N 2.489 122.179 120.400 -1.184 0.000 2.458 373 D HA 0.236 4.865 4.640 -0.019 0.000 0.243 373 D C -1.900 174.155 176.300 -0.408 0.000 1.146 373 D CA -0.136 53.405 54.000 -0.764 0.000 0.877 373 D CB 0.593 41.192 40.800 -0.335 0.000 1.176 373 D HN 0.431 nan 8.370 nan 0.000 0.461 374 P HA 0.131 nan 4.420 nan 0.000 0.281 374 P C -0.799 176.327 177.300 -0.289 0.000 1.286 374 P CA -0.194 62.764 63.100 -0.237 0.000 0.772 374 P CB 0.035 31.669 31.700 -0.108 0.000 0.862 375 Y N 4.557 124.775 120.300 -0.137 0.000 2.379 375 Y HA 0.169 4.707 4.550 -0.021 0.000 0.337 375 Y C -0.900 174.971 175.900 -0.048 0.000 1.238 375 Y CA -1.441 56.553 58.100 -0.177 0.000 1.405 375 Y CB -0.566 37.834 38.460 -0.099 0.000 1.310 375 Y HN 0.402 nan 8.280 nan 0.000 0.569 376 P HA 0.030 nan 4.420 nan 0.000 0.274 376 P C -0.232 177.170 177.300 0.171 0.000 1.256 376 P CA -0.177 63.055 63.100 0.221 0.000 0.795 376 P CB 1.094 32.962 31.700 0.280 0.000 1.038 377 D N -0.934 119.507 120.400 0.069 0.000 2.144 377 D HA -0.062 4.566 4.640 -0.019 0.000 0.200 377 D C 0.119 176.100 176.300 -0.530 0.000 0.978 377 D CA 1.880 55.745 54.000 -0.225 0.000 0.833 377 D CB -0.103 40.604 40.800 -0.156 0.000 0.961 377 D HN 0.415 nan 8.370 nan 0.000 0.470 378 Y N -1.082 119.320 120.300 0.169 0.000 2.524 378 Y HA 0.537 5.077 4.550 -0.017 0.000 0.347 378 Y C -0.518 175.502 175.900 0.200 0.000 1.005 378 Y CA -1.288 56.917 58.100 0.174 0.000 1.025 378 Y CB 2.220 40.742 38.460 0.102 0.000 1.275 378 Y HN -0.234 nan 8.280 nan 0.000 0.460 379 A N 2.818 125.843 122.820 0.342 0.000 2.332 379 A HA 0.587 4.895 4.320 -0.019 0.000 0.300 379 A C -1.707 176.055 177.584 0.296 0.000 1.153 379 A CA -0.663 51.500 52.037 0.210 0.000 0.764 379 A CB 0.664 19.611 19.000 -0.089 0.000 1.174 379 A HN 0.691 nan 8.150 nan 0.000 0.467 380 L N 3.318 124.624 121.223 0.138 0.000 2.433 380 L HA 0.335 4.664 4.340 -0.019 0.000 0.275 380 L C -0.250 176.587 176.870 -0.055 0.000 1.128 380 L CA -0.153 54.688 54.840 0.001 0.000 0.875 380 L CB 0.514 42.439 42.059 -0.223 0.000 1.171 380 L HN 0.613 nan 8.230 nan 0.000 0.463 381 L N 6.189 127.490 121.223 0.129 0.000 2.375 381 L HA 0.251 4.579 4.340 -0.019 0.000 0.276 381 L C 0.273 177.302 176.870 0.266 0.000 1.162 381 L CA 0.507 55.449 54.840 0.169 0.000 0.991 381 L CB -0.258 41.846 42.059 0.075 0.000 1.315 381 L HN 0.588 nan 8.230 nan 0.000 0.431 382 F N 2.757 122.943 119.950 0.393 0.000 2.163 382 F HA 0.093 4.604 4.527 -0.026 0.000 0.297 382 F C 2.071 178.025 175.800 0.257 0.000 1.094 382 F CA 0.826 59.082 58.000 0.426 0.000 1.290 382 F CB -0.624 38.552 39.000 0.294 0.000 1.017 382 F HN 0.613 nan 8.300 nan 0.000 0.483 383 A N 1.394 124.424 122.820 0.350 0.000 2.958 383 A HA 0.013 4.321 4.320 -0.019 0.000 0.247 383 A C 1.255 178.825 177.584 -0.025 0.000 1.679 383 A CA -0.356 51.766 52.037 0.142 0.000 1.345 383 A CB -1.764 17.392 19.000 0.260 0.000 1.013 383 A HN 0.640 nan 8.150 nan 0.000 0.641 384 W N 0.966 122.271 121.300 0.009 0.000 2.519 384 W HA -0.150 4.496 4.660 -0.023 0.000 0.266 384 W C 0.963 177.402 176.519 -0.133 0.000 1.253 384 W CA 0.688 57.959 57.345 -0.123 0.000 1.274 384 W CB -0.914 28.421 29.460 -0.208 0.000 1.114 384 W HN 0.693 nan 8.180 nan 0.000 0.596 385 N N 0.794 119.058 118.700 -0.726 0.000 2.550 385 N HA -0.204 4.525 4.740 -0.019 0.000 0.186 385 N C 0.689 175.867 175.510 -0.553 0.000 1.110 385 N CA 0.958 53.611 53.050 -0.663 0.000 0.912 385 N CB -1.159 36.753 38.487 -0.959 0.000 0.968 385 N HN 0.278 nan 8.380 nan 0.000 0.448 386 H N -0.442 118.500 119.070 -0.212 0.000 2.512 386 H HA 0.423 4.967 4.556 -0.020 0.000 0.276 386 H C 1.416 176.633 175.328 -0.185 0.000 1.126 386 H CA 0.018 55.966 56.048 -0.167 0.000 1.060 386 H CB 0.629 30.321 29.762 -0.118 0.000 1.646 386 H HN 0.283 nan 8.280 nan 0.000 0.571 387 A N 1.025 123.776 122.820 -0.116 0.000 1.892 387 A HA -0.240 4.069 4.320 -0.019 0.000 0.218 387 A C 2.298 179.748 177.584 -0.223 0.000 1.188 387 A CA 2.015 53.916 52.037 -0.227 0.000 0.631 387 A CB -0.244 18.638 19.000 -0.196 0.000 0.822 387 A HN 0.467 nan 8.150 nan 0.000 0.447 388 E N -0.632 119.489 120.200 -0.133 0.000 2.051 388 E HA -0.247 4.091 4.350 -0.019 0.000 0.192 388 E C 2.092 178.638 176.600 -0.090 0.000 0.991 388 E CA 1.349 57.685 56.400 -0.108 0.000 0.799 388 E CB -0.167 29.491 29.700 -0.070 0.000 0.748 388 E HN 0.767 nan 8.360 nan 0.000 0.449 389 E N 0.314 120.478 120.200 -0.061 0.000 2.051 389 E HA -0.200 4.138 4.350 -0.019 0.000 0.192 389 E C 2.174 178.740 176.600 -0.057 0.000 0.991 389 E CA 1.340 57.719 56.400 -0.035 0.000 0.799 389 E CB -0.093 29.607 29.700 0.000 0.000 0.748 389 E HN 0.326 nan 8.360 nan 0.000 0.449 390 I N 0.383 120.884 120.570 -0.115 0.000 2.142 390 I HA -0.307 3.851 4.170 -0.019 0.000 0.240 390 I C 2.644 178.651 176.117 -0.183 0.000 1.078 390 I CA 1.182 62.364 61.300 -0.196 0.000 1.343 390 I CB -0.231 37.530 38.000 -0.398 0.000 1.046 390 I HN 0.248 nan 8.210 nan 0.000 0.405 391 M N 0.268 119.718 119.600 -0.249 0.000 2.213 391 M HA -0.184 4.285 4.480 -0.019 0.000 0.263 391 M C 2.492 178.806 176.300 0.022 0.000 1.062 391 M CA 1.804 57.045 55.300 -0.098 0.000 1.105 391 M CB -0.493 31.985 32.600 -0.204 0.000 1.385 391 M HN 0.318 nan 8.290 nan 0.000 0.417 392 A N 0.637 123.447 122.820 -0.016 0.000 1.940 392 A HA -0.170 4.138 4.320 -0.019 0.000 0.219 392 A C 2.047 179.664 177.584 0.055 0.000 1.176 392 A CA 1.621 53.667 52.037 0.016 0.000 0.631 392 A CB -0.464 18.536 19.000 -0.000 0.000 0.814 392 A HN 0.465 nan 8.150 nan 0.000 0.446 393 K N -0.545 119.895 120.400 0.067 0.000 2.426 393 K HA 0.056 4.365 4.320 -0.019 0.000 0.193 393 K C -0.165 176.543 176.600 0.180 0.000 1.028 393 K CA 0.393 56.745 56.287 0.109 0.000 1.047 393 K CB 0.344 32.909 32.500 0.109 0.000 0.821 393 K HN 0.330 nan 8.250 nan 0.000 0.513 394 E N 0.805 121.135 120.200 0.216 0.000 3.385 394 E HA 0.069 4.407 4.350 -0.019 0.000 0.206 394 E C 0.380 177.172 176.600 0.321 0.000 0.997 394 E CA -0.001 56.602 56.400 0.337 0.000 1.278 394 E CB 0.833 30.836 29.700 0.505 0.000 1.165 394 E HN 0.226 nan 8.360 nan 0.000 0.452 395 Q N 0.097 120.019 119.800 0.204 0.000 2.167 395 Q HA -0.153 4.176 4.340 -0.019 0.000 0.202 395 Q C 1.004 177.067 176.000 0.105 0.000 0.970 395 Q CA 1.257 57.154 55.803 0.156 0.000 0.855 395 Q CB 0.179 28.977 28.738 0.100 0.000 0.911 395 Q HN 0.300 nan 8.270 nan 0.000 0.438 396 E N 0.524 120.778 120.200 0.090 0.000 2.110 396 E HA -0.192 4.147 4.350 -0.019 0.000 0.193 396 E C 1.515 177.992 176.600 -0.204 0.000 0.988 396 E CA 1.123 57.540 56.400 0.027 0.000 0.804 396 E CB -0.350 29.435 29.700 0.142 0.000 0.745 396 E HN 0.348 nan 8.360 nan 0.000 0.458 397 F N 0.885 120.467 119.950 -0.613 0.000 2.095 397 F HA -0.289 4.226 4.527 -0.020 0.000 0.298 397 F C 2.479 177.933 175.800 -0.577 0.000 1.104 397 F CA 1.834 59.118 58.000 -1.193 0.000 1.232 397 F CB -0.070 38.343 39.000 -0.978 0.000 0.987 397 F HN 0.124 nan 8.300 nan 0.000 0.475 398 H N 0.121 118.873 119.070 -0.529 0.000 2.363 398 H HA -0.112 4.432 4.556 -0.020 0.000 0.301 398 H C 2.188 177.310 175.328 -0.343 0.000 1.074 398 H CA 1.911 57.663 56.048 -0.493 0.000 1.354 398 H CB -0.151 29.551 29.762 -0.100 0.000 1.397 398 H HN 0.429 nan 8.280 nan 0.000 0.516 399 Q N 0.043 119.777 119.800 -0.110 0.000 2.135 399 Q HA -0.101 4.227 4.340 -0.019 0.000 0.204 399 Q C 2.288 178.173 176.000 -0.191 0.000 0.981 399 Q CA 1.486 57.227 55.803 -0.103 0.000 0.856 399 Q CB -0.051 28.667 28.738 -0.033 0.000 0.902 399 Q HN 0.462 nan 8.270 nan 0.000 0.425 400 A N -0.637 122.022 122.820 -0.269 0.000 2.216 400 A HA 0.138 4.447 4.320 -0.019 0.000 0.214 400 A C 1.552 178.944 177.584 -0.320 0.000 1.160 400 A CA 1.101 52.998 52.037 -0.233 0.000 0.725 400 A CB -0.458 18.457 19.000 -0.142 0.000 0.784 400 A HN 0.529 nan 8.150 nan 0.000 0.472 401 G N -2.403 106.117 108.800 -0.467 0.000 2.176 401 G HA2 -0.025 3.924 3.960 -0.019 0.000 0.232 401 G HA3 -0.025 3.924 3.960 -0.019 0.000 0.232 401 G C 0.718 175.190 174.900 -0.713 0.000 0.986 401 G CA 0.175 44.972 45.100 -0.506 0.000 0.643 401 G HN 1.437 nan 8.290 nan 0.000 0.522 402 G N -0.013 108.162 108.800 -1.043 0.000 2.491 402 G HA2 0.520 4.468 3.960 -0.019 0.000 0.242 402 G HA3 0.520 4.468 3.960 -0.019 0.000 0.242 402 G C 0.099 174.110 174.900 -1.481 0.000 1.266 402 G CA -0.122 44.081 45.100 -1.495 0.000 0.844 402 G HN 0.384 nan 8.290 nan 0.000 0.571 403 R N 0.439 120.410 120.500 -0.882 0.000 2.854 403 R HA 0.319 4.647 4.340 -0.019 0.000 0.271 403 R C -1.302 175.012 176.300 0.023 0.000 0.994 403 R CA -0.795 55.075 56.100 -0.383 0.000 0.945 403 R CB 1.734 31.952 30.300 -0.138 0.000 1.194 403 R HN 0.646 nan 8.270 nan 0.000 0.476 404 W N 1.686 123.177 121.300 0.318 0.000 2.417 404 W HA 0.505 5.151 4.660 -0.022 0.000 0.317 404 W C 0.342 176.961 176.519 0.166 0.000 1.121 404 W CA -0.503 57.003 57.345 0.268 0.000 1.208 404 W CB 0.752 30.316 29.460 0.172 0.000 1.253 404 W HN 0.234 nan 8.180 nan 0.000 0.533 405 I N 4.811 125.601 120.570 0.366 0.000 2.321 405 I HA 0.255 4.414 4.170 -0.019 0.000 0.291 405 I C -0.128 176.049 176.117 0.100 0.000 0.998 405 I CA -0.639 60.763 61.300 0.171 0.000 1.227 405 I CB 0.412 38.486 38.000 0.123 0.000 1.368 405 I HN 0.134 nan 8.210 nan 0.000 0.466 406 L N 6.536 127.699 121.223 -0.101 0.000 2.330 406 L HA 0.353 4.681 4.340 -0.019 0.000 0.271 406 L C -0.173 176.651 176.870 -0.075 0.000 1.013 406 L CA -0.623 54.092 54.840 -0.208 0.000 0.816 406 L CB 1.786 43.571 42.059 -0.457 0.000 1.287 406 L HN 0.677 nan 8.230 nan 0.000 0.435 407 Y N 0.099 120.360 120.300 -0.066 0.000 2.641 407 Y HA 0.515 5.060 4.550 -0.008 0.000 0.248 407 Y C -0.331 175.519 175.900 -0.082 0.000 1.170 407 Y CA -0.648 57.449 58.100 -0.005 0.000 1.201 407 Y CB 0.196 38.693 38.460 0.061 0.000 1.232 407 Y HN 0.064 nan 8.280 nan 0.000 0.537 408 V N 3.889 123.507 119.914 -0.492 0.000 2.483 408 V HA 0.335 4.443 4.120 -0.019 0.000 0.297 408 V C -1.836 174.119 176.094 -0.232 0.000 1.027 408 V CA -1.435 60.540 62.300 -0.542 0.000 0.855 408 V CB 2.420 33.419 31.823 -1.373 0.000 0.995 408 V HN 0.010 nan 8.190 nan 0.000 0.424 409 P HA 0.261 nan 4.420 nan 0.000 0.255 409 P C 0.034 177.330 177.300 -0.007 0.000 1.248 409 P CA 0.462 63.507 63.100 -0.092 0.000 0.807 409 P CB 0.974 32.635 31.700 -0.064 0.000 1.150 410 E N -1.163 119.060 120.200 0.037 0.000 2.445 410 E HA 0.253 4.592 4.350 -0.019 0.000 0.279 410 E C -0.954 175.786 176.600 0.233 0.000 1.018 410 E CA -1.029 55.431 56.400 0.099 0.000 0.816 410 E CB 2.259 31.977 29.700 0.030 0.000 1.356 410 E HN -0.345 nan 8.360 nan 0.000 0.462 411 V N 3.563 123.605 119.914 0.213 0.000 2.479 411 V HA 0.211 4.320 4.120 -0.019 0.000 0.281 411 V C 0.092 176.353 176.094 0.279 0.000 1.031 411 V CA 0.388 62.826 62.300 0.230 0.000 1.038 411 V CB -0.335 31.586 31.823 0.164 0.000 0.981 411 V HN 0.589 nan 8.190 nan 0.000 0.478 412 H N 3.847 122.959 119.070 0.070 0.000 3.042 412 H HA 0.616 5.161 4.556 -0.019 0.000 0.346 412 H C -1.585 173.806 175.328 0.106 0.000 1.294 412 H CA -1.398 54.693 56.048 0.070 0.000 1.141 412 H CB 1.494 31.289 29.762 0.056 0.000 1.872 412 H HN 0.436 nan 8.280 nan 0.000 0.541 413 I N 2.098 122.737 120.570 0.116 0.000 2.474 413 I HA 0.564 4.722 4.170 -0.019 0.000 0.294 413 I C 0.023 176.251 176.117 0.185 0.000 1.005 413 I CA -0.680 60.693 61.300 0.122 0.000 1.113 413 I CB 1.937 40.034 38.000 0.163 0.000 1.289 413 I HN 0.723 nan 8.210 nan 0.000 0.436 414 R N 0.000 120.640 120.500 0.233 0.000 2.786 414 R HA 0.000 4.328 4.340 -0.019 0.000 0.208 414 R CA 0.000 56.270 56.100 0.283 0.000 0.921 414 R CB 0.000 30.457 30.300 0.261 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535