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 2c4r_1_L DATA FIRST_RESID -6 DATA SEQUENCE AHIEGRHMKR MLINATQQEE LRVALVDGQR LYDLDIESPG HEQKKANIYK DATA SEQUENCE GKITRIEPSL EAAFVDYGAE RHGFLPLKEI AREYFPXXXX XXXXXNIKDV DATA SEQUENCE LREGQEVIVQ IDKEERGNKG AALTTFISLA GSYLVLMPNN PRAGGISRRI DATA SEQUENCE XXXXXXELKE ALASLELPEG MGLIVRTAGV GKSAEALQWD LSFRLKHWEA DATA SEQUENCE IKKAAESRPA PFLIHQESNV IVRAFRDYLR QDIGEILIDN PKVLELARQH DATA SEQUENCE IAALGRPDFS SKIKLYTGEI PLFSHYQIES QIESAFQREV RLPSGGSIVI DATA SEQUENCE DSTEALTAID INSARXXXXG DIEETAFNTN LEAADEIARQ LRLRDLGGLI DATA SEQUENCE VIDFIDMTPV RHQRAVENRL REAVRQDRAR IQISHISRFG LLEMSRQRLS DATA SEQUENCE PSLGESSHHV CPRCSGTGTV RDNESLSLSI LRLIEEEALK ENTQEVHAIV DATA SEQUENCE PVPIASYLLN EKRSAVNAIE TRQDGVRCVI VPNDQMETPH YHVLRVRKGE DATA SEQUENCE ETPTLSYMLP 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 -6 A HA 0.000 nan 4.320 nan 0.000 0.244 -6 A C 0.000 177.649 177.584 0.109 0.000 1.274 -6 A CA 0.000 52.085 52.037 0.080 0.000 0.836 -6 A CB 0.000 19.038 19.000 0.064 0.000 0.831 -5 H N 1.041 120.122 119.070 0.019 0.000 2.562 -5 H HA 0.637 5.193 4.556 -0.000 0.000 0.314 -5 H C -1.575 173.760 175.328 0.013 0.000 1.079 -5 H CA -0.022 56.042 56.048 0.027 0.000 1.349 -5 H CB 0.614 30.384 29.762 0.013 0.000 1.432 -5 H HN 0.151 nan 8.280 nan 0.000 0.479 -4 I N 4.551 124.900 120.570 -0.369 0.000 2.418 -4 I HA 0.120 4.290 4.170 -0.000 0.000 0.287 -4 I C 0.488 176.342 176.117 -0.438 0.000 1.008 -4 I CA -0.661 60.470 61.300 -0.281 0.000 1.104 -4 I CB 1.515 39.425 38.000 -0.151 0.000 1.264 -4 I HN 0.574 nan 8.210 nan 0.000 0.438 -3 E N 4.309 124.344 120.200 -0.274 0.000 2.415 -3 E HA 0.334 4.684 4.350 -0.000 0.000 0.263 -3 E C 1.035 177.538 176.600 -0.161 0.000 0.995 -3 E CA 1.083 57.358 56.400 -0.207 0.000 0.915 -3 E CB 0.422 30.097 29.700 -0.042 0.000 0.951 -3 E HN 0.918 nan 8.360 nan 0.000 0.449 -2 G N 4.568 113.280 108.800 -0.147 0.000 2.339 -2 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.209 -2 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.209 -2 G C 1.027 175.854 174.900 -0.121 0.000 1.015 -2 G CA 0.417 45.455 45.100 -0.103 0.000 0.635 -2 G HN 0.638 nan 8.290 nan 0.000 0.499 -1 R N 1.004 121.400 120.500 -0.174 0.000 2.171 -1 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 -1 R C 1.320 177.462 176.300 -0.263 0.000 1.113 -1 R CA 2.286 58.232 56.100 -0.257 0.000 0.887 -1 R CB -0.566 29.531 30.300 -0.339 0.000 0.830 -1 R HN 0.632 nan 8.270 nan 0.000 0.432 0 H N -1.143 117.870 119.070 -0.095 0.000 2.497 0 H HA 0.251 4.807 4.556 -0.000 0.000 0.348 0 H C -0.293 175.002 175.328 -0.055 0.000 1.335 0 H CA -0.499 55.516 56.048 -0.056 0.000 1.395 0 H CB 0.336 30.078 29.762 -0.032 0.000 1.658 0 H HN 0.250 nan 8.280 nan 0.000 0.613 1 M N 0.967 120.638 119.600 0.118 0.000 2.233 1 M HA 0.160 4.640 4.480 -0.000 0.000 0.350 1 M C -0.721 175.588 176.300 0.014 0.000 1.176 1 M CA -0.125 55.198 55.300 0.039 0.000 1.150 1 M CB 0.312 32.930 32.600 0.030 0.000 1.530 1 M HN 0.431 nan 8.290 nan 0.000 0.459 2 K N 4.960 125.363 120.400 0.006 0.000 2.234 2 K HA 0.406 4.726 4.320 -0.000 0.000 0.277 2 K C -1.102 175.519 176.600 0.035 0.000 1.038 2 K CA -0.364 55.933 56.287 0.016 0.000 0.888 2 K CB 1.051 33.567 32.500 0.025 0.000 1.091 2 K HN 0.682 nan 8.250 nan 0.000 0.467 3 R N 2.214 122.714 120.500 0.001 0.000 2.837 3 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 3 R C -0.744 175.543 176.300 -0.021 0.000 0.993 3 R CA -0.985 55.099 56.100 -0.027 0.000 0.931 3 R CB 1.493 31.711 30.300 -0.137 0.000 1.206 3 R HN 0.403 nan 8.270 nan 0.000 0.474 4 M N 3.107 122.718 119.600 0.019 0.000 2.055 4 M HA 0.322 4.802 4.480 -0.000 0.000 0.347 4 M C -1.512 174.771 176.300 -0.028 0.000 1.123 4 M CA -0.610 54.701 55.300 0.018 0.000 1.035 4 M CB 0.615 33.286 32.600 0.118 0.000 1.484 4 M HN 0.537 nan 8.290 nan 0.000 0.428 5 L N 6.751 127.887 121.223 -0.145 0.000 2.283 5 L HA 0.424 4.764 4.340 -0.000 0.000 0.287 5 L C -0.374 176.448 176.870 -0.079 0.000 1.073 5 L CA -0.234 54.490 54.840 -0.193 0.000 0.822 5 L CB 0.324 42.074 42.059 -0.515 0.000 1.186 5 L HN 0.679 nan 8.230 nan 0.000 0.436 6 I N 3.594 124.203 120.570 0.065 0.000 2.385 6 I HA 0.185 4.354 4.170 -0.000 0.000 0.294 6 I C 0.286 176.541 176.117 0.231 0.000 0.988 6 I CA -0.198 61.188 61.300 0.143 0.000 1.265 6 I CB 1.475 39.552 38.000 0.128 0.000 1.388 6 I HN 0.674 nan 8.210 nan 0.000 0.480 7 N N 5.079 123.956 118.700 0.295 0.000 2.904 7 N HA 0.368 5.108 4.740 -0.000 0.000 0.257 7 N C -0.062 175.527 175.510 0.132 0.000 1.363 7 N CA -0.148 53.078 53.050 0.294 0.000 0.856 7 N CB 1.079 39.836 38.487 0.450 0.000 1.166 7 N HN 0.765 nan 8.380 nan 0.000 0.499 8 A N 1.690 124.569 122.820 0.098 0.000 2.415 8 A HA 0.027 4.347 4.320 -0.000 0.000 0.248 8 A C 1.818 179.421 177.584 0.032 0.000 1.299 8 A CA 0.075 52.147 52.037 0.059 0.000 0.899 8 A CB -0.285 18.754 19.000 0.064 0.000 0.997 8 A HN 0.629 nan 8.150 nan 0.000 0.506 9 T N -1.311 113.257 114.554 0.024 0.000 2.737 9 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 9 T C 0.847 175.542 174.700 -0.008 0.000 1.038 9 T CA 1.139 63.238 62.100 -0.001 0.000 1.144 9 T CB -0.262 68.597 68.868 -0.016 0.000 0.866 9 T HN 0.287 nan 8.240 nan 0.000 0.434 10 Q N 1.806 121.597 119.800 -0.015 0.000 2.294 10 Q HA 0.496 4.836 4.340 -0.000 0.000 0.257 10 Q C 1.424 177.413 176.000 -0.017 0.000 0.955 10 Q CA 0.427 56.215 55.803 -0.024 0.000 0.936 10 Q CB 0.997 29.710 28.738 -0.042 0.000 1.188 10 Q HN 0.730 nan 8.270 nan 0.000 0.420 11 Q N 3.406 123.198 119.800 -0.014 0.000 2.045 11 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 11 Q C 0.870 176.863 176.000 -0.012 0.000 0.991 11 Q CA 2.053 57.851 55.803 -0.008 0.000 0.851 11 Q CB -0.692 28.041 28.738 -0.007 0.000 0.911 11 Q HN 0.757 nan 8.270 nan 0.000 0.418 12 E N 0.674 120.862 120.200 -0.019 0.000 2.330 12 E HA 0.324 4.674 4.350 -0.000 0.000 0.210 12 E C -0.714 175.871 176.600 -0.026 0.000 1.256 12 E CA 0.516 56.904 56.400 -0.020 0.000 1.346 12 E CB -0.310 29.377 29.700 -0.023 0.000 1.308 12 E HN 0.744 nan 8.360 nan 0.000 0.441 13 E N 0.313 120.498 120.200 -0.024 0.000 3.769 13 E HA 0.096 4.446 4.350 -0.000 0.000 0.370 13 E C -2.218 174.364 176.600 -0.030 0.000 1.080 13 E CA -0.237 56.143 56.400 -0.032 0.000 0.692 13 E CB 0.029 29.699 29.700 -0.051 0.000 1.258 13 E HN 0.177 nan 8.360 nan 0.000 0.514 14 L N 4.993 126.205 121.223 -0.018 0.000 2.301 14 L HA 0.595 4.935 4.340 -0.000 0.000 0.278 14 L C -0.852 176.017 176.870 -0.002 0.000 1.022 14 L CA -0.074 54.764 54.840 -0.004 0.000 0.854 14 L CB 0.531 42.593 42.059 0.005 0.000 1.226 14 L HN 0.435 nan 8.230 nan 0.000 0.429 15 R N 3.368 123.872 120.500 0.008 0.000 2.573 15 R HA 0.790 5.130 4.340 -0.000 0.000 0.272 15 R C -1.144 175.242 176.300 0.144 0.000 1.009 15 R CA -0.988 55.126 56.100 0.023 0.000 1.059 15 R CB 1.983 32.217 30.300 -0.111 0.000 1.112 15 R HN 0.420 nan 8.270 nan 0.000 0.517 16 V N 1.729 121.727 119.914 0.140 0.000 2.629 16 V HA 0.244 4.364 4.120 -0.000 0.000 0.263 16 V C -0.287 175.848 176.094 0.069 0.000 0.959 16 V CA -0.797 61.569 62.300 0.110 0.000 0.869 16 V CB 1.181 32.983 31.823 -0.034 0.000 1.060 16 V HN 0.952 nan 8.190 nan 0.000 0.474 17 A N 4.467 127.382 122.820 0.159 0.000 2.332 17 A HA 0.801 5.120 4.320 -0.000 0.000 0.258 17 A C -0.346 177.161 177.584 -0.128 0.000 1.087 17 A CA -0.270 51.772 52.037 0.009 0.000 0.802 17 A CB 0.700 19.762 19.000 0.103 0.000 1.042 17 A HN 0.686 nan 8.150 nan 0.000 0.489 18 L N 2.929 124.020 121.223 -0.220 0.000 2.337 18 L HA 0.350 4.689 4.340 -0.000 0.000 0.269 18 L C -1.063 175.771 176.870 -0.059 0.000 1.018 18 L CA -0.398 54.293 54.840 -0.249 0.000 0.876 18 L CB 1.117 42.818 42.059 -0.596 0.000 1.236 18 L HN 0.497 nan 8.230 nan 0.000 0.436 19 V N 1.678 121.669 119.914 0.128 0.000 2.547 19 V HA 0.327 4.447 4.120 -0.000 0.000 0.299 19 V C -0.010 176.184 176.094 0.166 0.000 1.040 19 V CA -0.767 61.661 62.300 0.214 0.000 0.913 19 V CB 2.279 34.076 31.823 -0.044 0.000 0.992 19 V HN 0.580 nan 8.190 nan 0.000 0.449 20 D N 2.999 123.447 120.400 0.080 0.000 2.477 20 D HA 0.481 5.121 4.640 -0.000 0.000 0.239 20 D C 0.747 177.034 176.300 -0.021 0.000 1.102 20 D CA 0.783 54.750 54.000 -0.054 0.000 0.901 20 D CB 1.049 41.722 40.800 -0.213 0.000 1.026 20 D HN 0.848 nan 8.370 nan 0.000 0.515 21 G N 4.646 113.415 108.800 -0.052 0.000 3.031 21 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.289 21 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.289 21 G C 0.630 175.459 174.900 -0.117 0.000 1.393 21 G CA 0.360 45.374 45.100 -0.144 0.000 1.010 21 G HN 0.530 nan 8.290 nan 0.000 0.579 22 Q N -0.102 119.630 119.800 -0.113 0.000 2.103 22 Q HA 0.255 4.595 4.340 -0.000 0.000 0.219 22 Q C 0.823 176.822 176.000 -0.002 0.000 0.784 22 Q CA -0.259 55.525 55.803 -0.032 0.000 1.014 22 Q CB 0.855 29.571 28.738 -0.037 0.000 1.183 22 Q HN 0.415 nan 8.270 nan 0.000 0.469 23 R N 1.736 122.236 120.500 0.001 0.000 2.220 23 R HA 0.189 4.529 4.340 -0.000 0.000 0.340 23 R C -0.564 175.784 176.300 0.080 0.000 1.076 23 R CA -0.267 55.843 56.100 0.017 0.000 0.920 23 R CB 0.348 30.629 30.300 -0.033 0.000 1.062 23 R HN 0.102 nan 8.270 nan 0.000 0.469 24 L N 5.447 126.720 121.223 0.083 0.000 2.490 24 L HA -0.055 4.285 4.340 -0.000 0.000 0.274 24 L C -0.061 176.903 176.870 0.157 0.000 1.201 24 L CA 0.782 55.687 54.840 0.109 0.000 0.869 24 L CB 0.319 42.430 42.059 0.086 0.000 1.123 24 L HN 0.753 nan 8.230 nan 0.000 0.484 25 Y N 1.042 121.326 120.300 -0.027 0.000 2.825 25 Y HA 0.558 5.108 4.550 -0.000 0.000 0.259 25 Y C -0.679 175.201 175.900 -0.033 0.000 1.113 25 Y CA -0.713 57.368 58.100 -0.033 0.000 1.241 25 Y CB 0.355 38.800 38.460 -0.026 0.000 1.331 25 Y HN 0.629 nan 8.280 nan 0.000 0.570 26 D N 0.786 121.023 120.400 -0.273 0.000 3.053 26 D HA 0.296 4.935 4.640 -0.000 0.000 0.267 26 D C -2.280 173.847 176.300 -0.288 0.000 0.998 26 D CA -0.243 53.566 54.000 -0.319 0.000 0.770 26 D CB 1.014 41.526 40.800 -0.480 0.000 2.505 26 D HN 0.420 nan 8.370 nan 0.000 0.477 27 L N 1.848 122.943 121.223 -0.214 0.000 2.540 27 L HA 0.862 5.202 4.340 -0.000 0.000 0.256 27 L C -1.990 174.793 176.870 -0.144 0.000 1.001 27 L CA -0.329 54.436 54.840 -0.124 0.000 0.843 27 L CB 2.309 44.360 42.059 -0.014 0.000 1.436 27 L HN 0.304 nan 8.230 nan 0.000 0.410 28 D N 2.261 122.603 120.400 -0.096 0.000 2.934 28 D HA 0.489 5.128 4.640 -0.000 0.000 0.230 28 D C -1.505 174.769 176.300 -0.044 0.000 1.204 28 D CA 0.012 53.954 54.000 -0.097 0.000 0.873 28 D CB 2.486 43.200 40.800 -0.143 0.000 1.645 28 D HN 0.654 nan 8.370 nan 0.000 0.502 29 I N 2.809 123.358 120.570 -0.036 0.000 2.563 29 I HA 0.132 4.302 4.170 -0.000 0.000 0.276 29 I C -0.298 175.807 176.117 -0.019 0.000 1.074 29 I CA -0.379 60.909 61.300 -0.020 0.000 1.124 29 I CB 1.072 39.074 38.000 0.002 0.000 1.225 29 I HN 0.194 nan 8.210 nan 0.000 0.482 30 E N 4.423 124.609 120.200 -0.023 0.000 2.249 30 E HA 0.429 4.779 4.350 -0.000 0.000 0.280 30 E C -1.065 175.527 176.600 -0.014 0.000 1.016 30 E CA -0.045 56.344 56.400 -0.018 0.000 0.830 30 E CB 1.703 31.389 29.700 -0.023 0.000 1.081 30 E HN 0.397 nan 8.360 nan 0.000 0.395 31 S N 4.881 120.575 115.700 -0.010 0.000 2.548 31 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 31 S C -2.519 172.078 174.600 -0.005 0.000 1.129 31 S CA -1.466 56.729 58.200 -0.009 0.000 0.931 31 S CB 1.373 64.567 63.200 -0.010 0.000 1.068 31 S HN 0.389 nan 8.310 nan 0.000 0.480 32 P HA 0.175 nan 4.420 nan 0.000 0.277 32 P C 1.278 178.578 177.300 -0.000 0.000 1.269 32 P CA 1.205 64.305 63.100 -0.001 0.000 0.840 32 P CB -0.459 31.240 31.700 -0.000 0.000 1.156 33 G N -1.000 107.801 108.800 0.001 0.000 3.434 33 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.343 33 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.343 33 G C 1.062 175.964 174.900 0.004 0.000 1.240 33 G CA 1.423 46.524 45.100 0.002 0.000 0.996 33 G HN 1.065 nan 8.290 nan 0.000 0.650 34 H N 2.104 121.177 119.070 0.004 0.000 5.111 34 H HA 0.577 5.133 4.556 -0.000 0.000 0.153 34 H C 1.182 176.513 175.328 0.005 0.000 0.964 34 H CA 1.805 57.857 56.048 0.007 0.000 1.334 34 H CB -1.794 27.973 29.762 0.007 0.000 1.518 34 H HN 1.474 nan 8.280 nan 0.000 0.947 35 E N -0.275 119.928 120.200 0.006 0.000 3.136 35 E HA 0.585 4.935 4.350 -0.000 0.000 0.271 35 E C 0.748 177.352 176.600 0.007 0.000 1.454 35 E CA 0.168 56.570 56.400 0.004 0.000 1.194 35 E CB -0.369 29.332 29.700 0.003 0.000 1.175 35 E HN 1.397 nan 8.360 nan 0.000 0.726 36 Q N -1.412 118.391 119.800 0.005 0.000 2.257 36 Q HA 0.568 4.907 4.340 -0.000 0.000 0.255 36 Q C 0.737 176.751 176.000 0.023 0.000 0.920 36 Q CA 0.179 55.989 55.803 0.010 0.000 0.927 36 Q CB 0.632 29.371 28.738 0.003 0.000 1.229 36 Q HN 1.144 nan 8.270 nan 0.000 0.433 37 K N 0.442 120.866 120.400 0.039 0.000 2.399 37 K HA 0.219 4.539 4.320 -0.000 0.000 0.196 37 K C 1.254 177.904 176.600 0.084 0.000 1.117 37 K CA 0.848 57.179 56.287 0.073 0.000 0.965 37 K CB 0.111 32.661 32.500 0.084 0.000 0.983 37 K HN 0.794 nan 8.250 nan 0.000 0.531 38 K N 0.353 120.786 120.400 0.056 0.000 2.448 38 K HA 0.431 4.751 4.320 -0.000 0.000 0.278 38 K C 0.707 177.340 176.600 0.055 0.000 1.009 38 K CA 0.840 57.157 56.287 0.051 0.000 0.995 38 K CB -0.340 32.178 32.500 0.030 0.000 0.917 38 K HN 1.837 nan 8.250 nan 0.000 0.481 39 A N 2.096 124.959 122.820 0.071 0.000 3.508 39 A HA -0.155 4.165 4.320 -0.000 0.000 0.223 39 A C -0.063 177.588 177.584 0.111 0.000 1.306 39 A CA 0.859 52.946 52.037 0.083 0.000 1.190 39 A CB -2.712 16.324 19.000 0.060 0.000 1.114 39 A HN 0.875 nan 8.150 nan 0.000 0.843 40 N N -0.405 118.394 118.700 0.165 0.000 2.448 40 N HA 0.827 5.567 4.740 -0.000 0.000 0.274 40 N C -0.087 175.642 175.510 0.365 0.000 1.239 40 N CA 0.482 53.668 53.050 0.227 0.000 0.982 40 N CB 0.585 39.319 38.487 0.412 0.000 1.199 40 N HN 0.536 nan 8.380 nan 0.000 0.576 41 I N -0.024 120.753 120.570 0.344 0.000 2.571 41 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 41 I C -1.423 174.835 176.117 0.235 0.000 1.134 41 I CA -0.723 60.799 61.300 0.370 0.000 1.052 41 I CB 0.747 38.899 38.000 0.253 0.000 1.237 41 I HN 0.334 nan 8.210 nan 0.000 0.435 42 Y N 3.745 124.055 120.300 0.016 0.000 2.732 42 Y HA 0.809 5.359 4.550 -0.000 0.000 0.327 42 Y C 0.690 176.457 175.900 -0.222 0.000 1.162 42 Y CA -1.085 56.952 58.100 -0.105 0.000 1.238 42 Y CB 0.425 38.906 38.460 0.035 0.000 1.443 42 Y HN 0.608 nan 8.280 nan 0.000 0.584 43 K N -0.278 119.953 120.400 -0.283 0.000 2.208 43 K HA 0.859 5.179 4.320 -0.000 0.000 0.247 43 K C -0.367 176.218 176.600 -0.026 0.000 0.953 43 K CA -0.565 55.602 56.287 -0.200 0.000 0.837 43 K CB 1.173 33.458 32.500 -0.359 0.000 1.131 43 K HN 1.104 nan 8.250 nan 0.000 0.431 44 G N -0.092 108.724 108.800 0.025 0.000 2.732 44 G HA2 0.652 4.612 3.960 -0.000 0.000 0.295 44 G HA3 0.652 4.612 3.960 -0.000 0.000 0.295 44 G C -0.566 174.373 174.900 0.066 0.000 1.456 44 G CA 0.194 45.335 45.100 0.069 0.000 1.050 44 G HN 0.949 nan 8.290 nan 0.000 0.525 45 K N 0.942 121.396 120.400 0.090 0.000 2.352 45 K HA 0.885 5.205 4.320 -0.000 0.000 0.240 45 K C -0.773 175.882 176.600 0.093 0.000 1.017 45 K CA -0.880 55.454 56.287 0.079 0.000 0.851 45 K CB 1.602 34.149 32.500 0.078 0.000 1.261 45 K HN 0.547 nan 8.250 nan 0.000 0.451 46 I N 2.517 123.128 120.570 0.068 0.000 2.330 46 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 46 I C 1.430 177.577 176.117 0.049 0.000 1.025 46 I CA -0.345 60.992 61.300 0.061 0.000 1.197 46 I CB 1.386 39.404 38.000 0.031 0.000 1.358 46 I HN 0.865 nan 8.210 nan 0.000 0.467 47 T N 2.667 117.249 114.554 0.047 0.000 2.597 47 T HA -0.185 4.164 4.350 -0.000 0.000 0.267 47 T C 0.760 175.424 174.700 -0.060 0.000 1.053 47 T CA 1.700 63.760 62.100 -0.067 0.000 1.165 47 T CB -0.333 68.328 68.868 -0.345 0.000 0.863 47 T HN 0.557 nan 8.240 nan 0.000 0.427 48 R N -0.971 119.523 120.500 -0.009 0.000 2.745 48 R HA 0.666 5.006 4.340 -0.000 0.000 0.290 48 R C -0.791 175.559 176.300 0.083 0.000 1.260 48 R CA -0.491 55.614 56.100 0.007 0.000 1.045 48 R CB -1.026 29.239 30.300 -0.058 0.000 1.257 48 R HN 0.653 nan 8.270 nan 0.000 0.400 49 I N 0.122 120.712 120.570 0.032 0.000 2.691 49 I HA 0.655 4.825 4.170 -0.000 0.000 0.288 49 I C 0.962 177.094 176.117 0.025 0.000 1.143 49 I CA 0.524 61.831 61.300 0.012 0.000 1.364 49 I CB -1.108 36.886 38.000 -0.010 0.000 1.435 49 I HN 1.261 nan 8.210 nan 0.000 0.551 50 E N 7.296 127.526 120.200 0.050 0.000 2.266 50 E HA 0.644 4.994 4.350 -0.000 0.000 0.277 50 E C -2.054 174.536 176.600 -0.016 0.000 1.018 50 E CA -1.039 55.382 56.400 0.034 0.000 0.840 50 E CB 0.877 30.633 29.700 0.093 0.000 1.082 50 E HN 0.729 nan 8.360 nan 0.000 0.395 51 P HA 0.051 nan 4.420 nan 0.000 0.260 51 P C 0.659 177.952 177.300 -0.011 0.000 1.222 51 P CA 0.363 63.451 63.100 -0.020 0.000 0.843 51 P CB 0.411 32.104 31.700 -0.011 0.000 1.159 52 S N -0.470 115.233 115.700 0.005 0.000 2.894 52 S HA 0.188 4.658 4.470 -0.000 0.000 0.231 52 S C 1.658 176.271 174.600 0.022 0.000 0.971 52 S CA 1.135 59.344 58.200 0.016 0.000 1.005 52 S CB -1.251 61.965 63.200 0.027 0.000 0.799 52 S HN 0.162 nan 8.310 nan 0.000 0.527 53 L N -1.615 119.608 121.223 0.001 0.000 3.195 53 L HA 0.837 5.177 4.340 -0.000 0.000 0.290 53 L C 1.087 177.942 176.870 -0.024 0.000 1.092 53 L CA 1.187 56.031 54.840 0.006 0.000 1.094 53 L CB -1.352 40.702 42.059 -0.009 0.000 1.743 53 L HN 0.647 nan 8.230 nan 0.000 0.579 54 E N -1.248 118.918 120.200 -0.057 0.000 3.125 54 E HA 0.500 4.850 4.350 -0.000 0.000 0.321 54 E C 0.683 177.214 176.600 -0.115 0.000 0.895 54 E CA 1.051 57.415 56.400 -0.060 0.000 1.078 54 E CB -2.170 27.514 29.700 -0.026 0.000 1.515 54 E HN 2.965 nan 8.360 nan 0.000 0.398 55 A N -1.967 120.736 122.820 -0.195 0.000 2.549 55 A HA 1.058 5.378 4.320 -0.000 0.000 0.291 55 A C 0.501 177.867 177.584 -0.363 0.000 1.034 55 A CA 0.372 52.236 52.037 -0.288 0.000 0.655 55 A CB 0.019 18.774 19.000 -0.408 0.000 1.299 55 A HN 1.899 nan 8.150 nan 0.000 0.427 56 A N 0.103 122.732 122.820 -0.318 0.000 2.398 56 A HA 0.841 5.161 4.320 -0.000 0.000 0.264 56 A C -0.182 177.137 177.584 -0.441 0.000 1.564 56 A CA 0.429 52.324 52.037 -0.238 0.000 0.828 56 A CB -0.189 18.741 19.000 -0.118 0.000 1.444 56 A HN 1.170 nan 8.150 nan 0.000 0.565 57 F N -3.148 116.699 119.950 -0.173 0.000 2.679 57 F HA 0.609 5.135 4.527 -0.000 0.000 0.341 57 F C -0.246 175.515 175.800 -0.065 0.000 1.095 57 F CA -0.505 57.414 58.000 -0.135 0.000 1.004 57 F CB 2.112 41.053 39.000 -0.098 0.000 1.388 57 F HN 0.307 nan 8.300 nan 0.000 0.505 58 V N 0.030 120.077 119.914 0.221 0.000 2.789 58 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 58 V C -1.472 174.822 176.094 0.334 0.000 1.073 58 V CA -0.928 61.476 62.300 0.174 0.000 0.921 58 V CB 1.875 33.715 31.823 0.027 0.000 1.009 58 V HN 0.495 nan 8.190 nan 0.000 0.426 59 D N 2.248 122.848 120.400 0.333 0.000 2.402 59 D HA 0.235 4.875 4.640 -0.000 0.000 0.235 59 D C 0.505 176.982 176.300 0.294 0.000 1.226 59 D CA 0.010 54.212 54.000 0.337 0.000 0.918 59 D CB 0.311 41.295 40.800 0.306 0.000 1.043 59 D HN 0.740 nan 8.370 nan 0.000 0.506 60 Y N 0.771 121.079 120.300 0.012 0.000 2.485 60 Y HA 0.361 4.911 4.550 -0.000 0.000 0.260 60 Y C 1.123 177.042 175.900 0.032 0.000 1.173 60 Y CA -0.620 57.475 58.100 -0.008 0.000 1.252 60 Y CB 0.187 38.517 38.460 -0.217 0.000 1.123 60 Y HN 0.300 nan 8.280 nan 0.000 0.524 61 G N 1.330 110.091 108.800 -0.066 0.000 2.422 61 G HA2 0.011 3.971 3.960 -0.000 0.000 0.290 61 G HA3 0.011 3.971 3.960 -0.000 0.000 0.290 61 G C -0.195 174.503 174.900 -0.336 0.000 1.059 61 G CA 0.075 45.087 45.100 -0.148 0.000 1.242 61 G HN 1.027 nan 8.290 nan 0.000 0.520 62 A N -0.460 122.074 122.820 -0.477 0.000 2.486 62 A HA 1.127 5.447 4.320 -0.000 0.000 0.289 62 A C 1.062 178.509 177.584 -0.228 0.000 1.176 62 A CA 1.061 52.912 52.037 -0.310 0.000 0.757 62 A CB 0.216 19.013 19.000 -0.338 0.000 1.337 62 A HN 2.171 nan 8.150 nan 0.000 0.423 63 E N -0.616 119.499 120.200 -0.143 0.000 2.908 63 E HA -0.153 4.196 4.350 -0.000 0.000 0.277 63 E C 1.226 177.753 176.600 -0.122 0.000 0.971 63 E CA 3.358 59.700 56.400 -0.096 0.000 1.114 63 E CB -1.586 28.091 29.700 -0.039 0.000 1.189 63 E HN 2.351 nan 8.360 nan 0.000 0.469 64 R N 2.007 122.501 120.500 -0.010 0.000 2.242 64 R HA 0.465 4.805 4.340 -0.000 0.000 0.334 64 R C 0.357 176.764 176.300 0.178 0.000 1.071 64 R CA 0.494 56.649 56.100 0.092 0.000 0.922 64 R CB -1.210 29.174 30.300 0.140 0.000 1.023 64 R HN 0.740 nan 8.270 nan 0.000 0.458 65 H N 0.427 119.600 119.070 0.172 0.000 3.095 65 H HA 0.257 4.813 4.556 -0.000 0.000 0.351 65 H C 1.206 176.726 175.328 0.319 0.000 1.123 65 H CA 1.239 57.443 56.048 0.261 0.000 1.368 65 H CB 0.557 30.418 29.762 0.165 0.000 1.293 65 H HN 0.879 nan 8.280 nan 0.000 0.606 66 G N 0.436 109.438 108.800 0.336 0.000 2.415 66 G HA2 0.381 4.341 3.960 -0.000 0.000 0.327 66 G HA3 0.381 4.341 3.960 -0.000 0.000 0.327 66 G C -0.912 174.065 174.900 0.127 0.000 1.182 66 G CA -0.784 44.386 45.100 0.116 0.000 0.924 66 G HN 0.484 nan 8.290 nan 0.000 0.470 67 F N 1.219 121.129 119.950 -0.066 0.000 2.635 67 F HA 0.149 4.676 4.527 -0.000 0.000 0.379 67 F C 0.659 176.305 175.800 -0.255 0.000 1.094 67 F CA 0.662 58.482 58.000 -0.301 0.000 1.300 67 F CB 0.545 39.418 39.000 -0.211 0.000 1.035 67 F HN 0.191 nan 8.300 nan 0.000 0.581 68 L N 8.231 129.157 121.223 -0.496 0.000 2.440 68 L HA 0.291 4.631 4.340 -0.000 0.000 0.261 68 L C -2.493 174.197 176.870 -0.300 0.000 1.382 68 L CA -1.826 52.858 54.840 -0.259 0.000 0.871 68 L CB 1.085 43.032 42.059 -0.186 0.000 1.052 68 L HN 0.361 nan 8.230 nan 0.000 0.509 69 P HA -0.139 nan 4.420 nan 0.000 0.257 69 P C 1.394 178.659 177.300 -0.057 0.000 1.144 69 P CA 0.715 63.760 63.100 -0.092 0.000 0.761 69 P CB 0.515 32.238 31.700 0.039 0.000 0.734 70 L N 3.466 124.650 121.223 -0.066 0.000 2.270 70 L HA -0.290 4.049 4.340 -0.000 0.000 0.217 70 L C 2.495 179.378 176.870 0.022 0.000 1.107 70 L CA 3.059 57.883 54.840 -0.026 0.000 0.772 70 L CB -2.585 39.456 42.059 -0.029 0.000 0.902 70 L HN 0.523 nan 8.230 nan 0.000 0.439 71 K N -0.327 120.088 120.400 0.024 0.000 2.001 71 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 71 K C 2.437 179.105 176.600 0.113 0.000 1.048 71 K CA 2.651 58.961 56.287 0.039 0.000 0.932 71 K CB -1.609 30.890 32.500 -0.002 0.000 0.715 71 K HN 1.068 nan 8.250 nan 0.000 0.437 72 E N 0.165 120.435 120.200 0.116 0.000 2.169 72 E HA 0.076 4.426 4.350 -0.000 0.000 0.202 72 E C 1.670 178.525 176.600 0.425 0.000 1.016 72 E CA 1.929 58.490 56.400 0.267 0.000 0.817 72 E CB -1.744 28.042 29.700 0.142 0.000 0.736 72 E HN 1.231 nan 8.360 nan 0.000 0.462 73 I N -0.402 120.283 120.570 0.191 0.000 3.060 73 I HA 0.690 4.860 4.170 -0.000 0.000 0.285 73 I C 0.966 177.071 176.117 -0.020 0.000 1.190 73 I CA -0.178 61.152 61.300 0.051 0.000 1.363 73 I CB 0.354 38.363 38.000 0.014 0.000 1.396 73 I HN 0.857 nan 8.210 nan 0.000 0.607 74 A N 2.611 125.341 122.820 -0.150 0.000 2.312 74 A HA 0.881 5.201 4.320 -0.000 0.000 0.310 74 A C 1.690 179.197 177.584 -0.128 0.000 1.139 74 A CA 0.332 52.199 52.037 -0.283 0.000 0.886 74 A CB 0.100 18.865 19.000 -0.392 0.000 1.350 74 A HN 2.159 nan 8.150 nan 0.000 0.479 75 R N -1.099 119.327 120.500 -0.123 0.000 2.097 75 R HA -0.061 4.279 4.340 -0.000 0.000 0.236 75 R C 2.172 178.440 176.300 -0.053 0.000 1.135 75 R CA 3.245 59.310 56.100 -0.059 0.000 0.934 75 R CB -1.956 28.318 30.300 -0.044 0.000 0.846 75 R HN 1.264 nan 8.270 nan 0.000 0.431 76 E N -1.078 119.082 120.200 -0.066 0.000 2.076 76 E HA -0.005 4.344 4.350 -0.000 0.000 0.190 76 E C 2.560 179.142 176.600 -0.030 0.000 0.979 76 E CA 1.559 57.938 56.400 -0.035 0.000 0.807 76 E CB -1.431 28.256 29.700 -0.020 0.000 0.761 76 E HN 1.205 nan 8.360 nan 0.000 0.454 77 Y N -0.689 119.583 120.300 -0.046 0.000 2.315 77 Y HA 0.259 4.808 4.550 -0.000 0.000 0.288 77 Y C 1.893 177.778 175.900 -0.026 0.000 1.154 77 Y CA 0.843 58.923 58.100 -0.034 0.000 1.229 77 Y CB -1.521 36.912 38.460 -0.044 0.000 0.980 77 Y HN 0.724 nan 8.280 nan 0.000 0.540 78 F N 2.871 122.803 119.950 -0.029 0.000 2.462 78 F HA 0.582 5.109 4.527 -0.000 0.000 0.360 78 F C -0.935 174.858 175.800 -0.012 0.000 1.134 78 F CA -3.231 54.758 58.000 -0.019 0.000 1.148 78 F CB -1.260 37.729 39.000 -0.019 0.000 1.147 78 F HN 0.261 nan 8.300 nan 0.000 0.550 90 I N 0.331 120.890 120.570 -0.018 0.000 2.039 90 I HA 0.141 4.311 4.170 -0.000 0.000 0.233 90 I C 2.947 179.053 176.117 -0.019 0.000 1.040 90 I CA 3.868 65.153 61.300 -0.026 0.000 1.308 90 I CB -1.942 36.037 38.000 -0.035 0.000 1.035 90 I HN 1.603 nan 8.210 nan 0.000 0.392 91 K N 0.633 121.024 120.400 -0.015 0.000 2.147 91 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 91 K C 2.132 178.727 176.600 -0.009 0.000 1.049 91 K CA 2.490 58.770 56.287 -0.012 0.000 0.936 91 K CB -2.291 30.204 32.500 -0.009 0.000 0.722 91 K HN 1.101 nan 8.250 nan 0.000 0.446 92 D N 0.238 120.634 120.400 -0.008 0.000 2.178 92 D HA 0.179 4.819 4.640 -0.000 0.000 0.201 92 D C 2.293 178.589 176.300 -0.007 0.000 0.980 92 D CA 2.165 56.162 54.000 -0.006 0.000 0.842 92 D CB -0.860 39.938 40.800 -0.004 0.000 0.948 92 D HN 0.571 nan 8.370 nan 0.000 0.472 93 V N 0.457 120.366 119.914 -0.009 0.000 2.222 93 V HA 0.383 4.503 4.120 -0.000 0.000 0.240 93 V C 2.316 178.403 176.094 -0.012 0.000 1.040 93 V CA 2.505 64.799 62.300 -0.010 0.000 0.988 93 V CB -1.136 30.680 31.823 -0.013 0.000 0.633 93 V HN 1.001 nan 8.190 nan 0.000 0.452 94 L N 1.636 122.849 121.223 -0.016 0.000 2.312 94 L HA 0.809 5.149 4.340 -0.000 0.000 0.287 94 L C 0.995 177.859 176.870 -0.010 0.000 1.091 94 L CA -0.225 54.606 54.840 -0.015 0.000 0.846 94 L CB -1.348 40.697 42.059 -0.024 0.000 1.219 94 L HN 1.017 nan 8.230 nan 0.000 0.439 95 R N 2.470 122.967 120.500 -0.005 0.000 2.446 95 R HA 0.350 4.690 4.340 -0.000 0.000 0.314 95 R C 0.433 176.735 176.300 0.002 0.000 1.003 95 R CA 0.396 56.495 56.100 -0.001 0.000 1.018 95 R CB -0.326 29.975 30.300 0.001 0.000 0.945 95 R HN 1.029 nan 8.270 nan 0.000 0.419 96 E N 2.266 122.467 120.200 0.003 0.000 2.369 96 E HA 0.314 4.664 4.350 -0.000 0.000 0.255 96 E C 0.684 177.292 176.600 0.013 0.000 1.172 96 E CA 0.539 56.943 56.400 0.007 0.000 0.932 96 E CB 0.728 30.430 29.700 0.004 0.000 1.040 96 E HN 1.131 nan 8.360 nan 0.000 0.454 97 G N 2.525 111.337 108.800 0.020 0.000 2.357 97 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.282 97 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.282 97 G C -0.051 174.866 174.900 0.028 0.000 0.910 97 G CA 1.324 46.442 45.100 0.029 0.000 1.267 97 G HN 0.523 nan 8.290 nan 0.000 0.476 98 Q N -0.231 119.585 119.800 0.026 0.000 2.309 98 Q HA 0.625 4.965 4.340 -0.000 0.000 0.264 98 Q C 0.114 176.133 176.000 0.031 0.000 1.008 98 Q CA 0.017 55.835 55.803 0.024 0.000 0.853 98 Q CB 1.129 29.875 28.738 0.013 0.000 1.314 98 Q HN 0.654 nan 8.270 nan 0.000 0.448 99 E N 2.515 122.735 120.200 0.033 0.000 2.130 99 E HA 0.517 4.866 4.350 -0.000 0.000 0.284 99 E C -1.494 175.124 176.600 0.029 0.000 1.018 99 E CA -0.355 56.069 56.400 0.041 0.000 0.817 99 E CB 1.733 31.464 29.700 0.053 0.000 1.078 99 E HN 0.450 nan 8.360 nan 0.000 0.396 100 V N 0.899 120.829 119.914 0.027 0.000 3.130 100 V HA 0.751 4.871 4.120 -0.000 0.000 0.310 100 V C -0.040 176.065 176.094 0.017 0.000 1.158 100 V CA 0.050 62.360 62.300 0.017 0.000 1.029 100 V CB 2.080 33.907 31.823 0.007 0.000 1.057 100 V HN 1.143 nan 8.190 nan 0.000 0.436 101 I N 3.881 124.466 120.570 0.024 0.000 2.373 101 I HA 0.696 4.866 4.170 -0.000 0.000 0.287 101 I C -0.155 176.002 176.117 0.067 0.000 1.124 101 I CA -0.152 61.174 61.300 0.044 0.000 1.273 101 I CB 0.638 38.678 38.000 0.067 0.000 1.578 101 I HN 0.390 nan 8.210 nan 0.000 0.572 102 V N 3.211 123.160 119.914 0.058 0.000 2.567 102 V HA 0.535 4.655 4.120 -0.000 0.000 0.289 102 V C 0.240 176.383 176.094 0.081 0.000 1.049 102 V CA -0.155 62.168 62.300 0.038 0.000 0.969 102 V CB 1.790 33.596 31.823 -0.028 0.000 0.995 102 V HN 0.971 nan 8.190 nan 0.000 0.471 103 Q N 4.462 124.302 119.800 0.068 0.000 2.445 103 Q HA 0.595 4.935 4.340 -0.000 0.000 0.281 103 Q C -1.351 174.658 176.000 0.015 0.000 1.101 103 Q CA -0.841 55.020 55.803 0.097 0.000 0.833 103 Q CB 2.061 30.881 28.738 0.136 0.000 1.416 103 Q HN 0.672 nan 8.270 nan 0.000 0.451 104 I N 2.426 123.015 120.570 0.033 0.000 2.328 104 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 104 I C 0.553 176.674 176.117 0.007 0.000 1.012 104 I CA 0.292 61.580 61.300 -0.020 0.000 1.195 104 I CB 1.047 39.049 38.000 0.003 0.000 1.350 104 I HN 1.020 nan 8.210 nan 0.000 0.464 105 D N 5.403 125.798 120.400 -0.009 0.000 2.107 105 D HA 0.099 4.739 4.640 -0.000 0.000 0.204 105 D C 1.039 177.333 176.300 -0.011 0.000 0.978 105 D CA 1.566 55.563 54.000 -0.005 0.000 0.852 105 D CB 0.181 40.974 40.800 -0.012 0.000 1.008 105 D HN 0.508 nan 8.370 nan 0.000 0.458 106 K N 0.336 120.722 120.400 -0.023 0.000 2.385 106 K HA 0.635 4.954 4.320 -0.000 0.000 0.248 106 K C -0.624 175.964 176.600 -0.020 0.000 0.955 106 K CA -0.583 55.689 56.287 -0.025 0.000 0.816 106 K CB 1.420 33.893 32.500 -0.045 0.000 1.250 106 K HN 0.506 nan 8.250 nan 0.000 0.434 107 E N 0.839 121.034 120.200 -0.008 0.000 2.250 107 E HA 0.255 4.605 4.350 -0.000 0.000 0.265 107 E C -0.642 175.967 176.600 0.015 0.000 1.033 107 E CA -0.876 55.532 56.400 0.013 0.000 0.888 107 E CB 1.279 30.991 29.700 0.019 0.000 1.151 107 E HN 0.568 nan 8.360 nan 0.000 0.412 108 E N 0.901 121.125 120.200 0.041 0.000 2.900 108 E HA -0.111 4.239 4.350 -0.000 0.000 0.259 108 E C -0.211 176.402 176.600 0.021 0.000 0.918 108 E CA 0.755 57.181 56.400 0.044 0.000 0.960 108 E CB 0.184 29.919 29.700 0.057 0.000 0.908 108 E HN 0.274 nan 8.360 nan 0.000 0.511 109 R N 1.105 121.611 120.500 0.011 0.000 2.750 109 R HA 0.511 4.851 4.340 -0.000 0.000 0.281 109 R C 1.770 178.075 176.300 0.008 0.000 0.972 109 R CA 0.187 56.287 56.100 0.000 0.000 0.912 109 R CB 1.383 31.670 30.300 -0.023 0.000 1.187 109 R HN 0.604 nan 8.270 nan 0.000 0.464 110 G N 1.894 110.700 108.800 0.010 0.000 2.745 110 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.225 110 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.225 110 G C 0.571 175.485 174.900 0.025 0.000 1.108 110 G CA 1.867 46.978 45.100 0.019 0.000 0.749 110 G HN 0.622 nan 8.290 nan 0.000 0.625 111 N N 0.231 118.945 118.700 0.024 0.000 2.418 111 N HA 0.259 4.999 4.740 -0.000 0.000 0.199 111 N C 1.551 177.096 175.510 0.059 0.000 1.044 111 N CA 1.159 54.232 53.050 0.039 0.000 0.943 111 N CB -0.555 37.954 38.487 0.035 0.000 1.154 111 N HN 0.562 nan 8.380 nan 0.000 0.467 112 K N 0.920 121.348 120.400 0.046 0.000 2.393 112 K HA 0.304 4.624 4.320 -0.000 0.000 0.264 112 K C 1.242 177.912 176.600 0.117 0.000 0.979 112 K CA 0.535 56.866 56.287 0.073 0.000 0.893 112 K CB -1.034 31.441 32.500 -0.040 0.000 0.967 112 K HN 0.307 nan 8.250 nan 0.000 0.521 113 G N -0.757 108.162 108.800 0.198 0.000 2.751 113 G HA2 0.471 4.431 3.960 -0.000 0.000 0.187 113 G HA3 0.471 4.431 3.960 -0.000 0.000 0.187 113 G C 0.469 175.446 174.900 0.128 0.000 1.733 113 G CA 1.050 46.281 45.100 0.219 0.000 0.898 113 G HN 1.779 nan 8.290 nan 0.000 0.408 114 A N -2.199 120.669 122.820 0.080 0.000 2.606 114 A HA 0.746 5.066 4.320 -0.000 0.000 0.293 114 A C -0.172 177.412 177.584 0.000 0.000 1.082 114 A CA 0.106 52.148 52.037 0.008 0.000 0.685 114 A CB 0.776 19.770 19.000 -0.010 0.000 1.284 114 A HN 1.784 nan 8.150 nan 0.000 0.408 115 A N 1.163 123.972 122.820 -0.017 0.000 2.548 115 A HA 0.489 4.808 4.320 -0.000 0.000 0.247 115 A C 0.257 177.811 177.584 -0.050 0.000 1.067 115 A CA 0.370 52.420 52.037 0.021 0.000 0.757 115 A CB -0.713 18.286 19.000 -0.001 0.000 0.996 115 A HN 0.843 nan 8.150 nan 0.000 0.504 116 L N 1.473 122.649 121.223 -0.078 0.000 2.440 116 L HA 0.819 5.159 4.340 -0.000 0.000 0.262 116 L C 0.661 177.517 176.870 -0.025 0.000 1.072 116 L CA -0.622 54.148 54.840 -0.117 0.000 0.798 116 L CB 1.311 43.245 42.059 -0.209 0.000 1.307 116 L HN 0.720 nan 8.230 nan 0.000 0.475 117 T N -1.906 112.653 114.554 0.009 0.000 3.395 117 T HA 0.130 4.480 4.350 -0.000 0.000 0.330 117 T C 0.390 175.149 174.700 0.098 0.000 1.076 117 T CA -0.075 62.076 62.100 0.085 0.000 1.070 117 T CB 1.148 70.093 68.868 0.127 0.000 1.119 117 T HN 0.828 nan 8.240 nan 0.000 0.462 118 T N 2.246 116.846 114.554 0.077 0.000 3.163 118 T HA 0.166 4.516 4.350 -0.000 0.000 0.260 118 T C 0.357 175.022 174.700 -0.058 0.000 1.156 118 T CA 0.314 62.413 62.100 -0.001 0.000 1.072 118 T CB -0.758 68.069 68.868 -0.068 0.000 0.937 118 T HN 0.466 nan 8.240 nan 0.000 0.528 119 F N 1.951 121.898 119.950 -0.006 0.000 2.541 119 F HA 0.449 4.976 4.527 -0.000 0.000 0.351 119 F C -0.025 175.754 175.800 -0.034 0.000 1.209 119 F CA -1.786 56.199 58.000 -0.025 0.000 1.277 119 F CB -0.287 38.695 39.000 -0.031 0.000 1.632 119 F HN 0.058 nan 8.300 nan 0.000 0.619 120 I N 1.663 122.275 120.570 0.069 0.000 2.648 120 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 120 I C 0.501 176.610 176.117 -0.014 0.000 1.153 120 I CA 0.107 61.434 61.300 0.046 0.000 1.426 120 I CB 0.449 38.485 38.000 0.060 0.000 1.381 120 I HN 0.316 nan 8.210 nan 0.000 0.571 121 S N 6.455 122.164 115.700 0.014 0.000 2.536 121 S HA 0.902 5.372 4.470 -0.000 0.000 0.298 121 S C -0.765 173.832 174.600 -0.006 0.000 1.083 121 S CA -0.907 57.284 58.200 -0.016 0.000 0.995 121 S CB 1.794 64.995 63.200 0.002 0.000 1.058 121 S HN 0.313 nan 8.310 nan 0.000 0.488 122 L N 1.388 122.591 121.223 -0.033 0.000 2.438 122 L HA 0.770 5.110 4.340 -0.000 0.000 0.270 122 L C -0.545 176.319 176.870 -0.010 0.000 0.972 122 L CA -0.449 54.385 54.840 -0.010 0.000 0.831 122 L CB 2.089 44.133 42.059 -0.025 0.000 1.273 122 L HN 0.977 nan 8.230 nan 0.000 0.405 123 A N 1.946 124.769 122.820 0.006 0.000 2.304 123 A HA 0.866 5.186 4.320 -0.000 0.000 0.314 123 A C 0.108 177.691 177.584 -0.001 0.000 1.187 123 A CA -0.021 52.013 52.037 -0.005 0.000 0.810 123 A CB 1.071 20.062 19.000 -0.015 0.000 1.183 123 A HN 0.736 nan 8.150 nan 0.000 0.487 124 G N 0.274 109.075 108.800 0.002 0.000 2.641 124 G HA2 0.443 4.402 3.960 -0.000 0.000 0.239 124 G HA3 0.443 4.402 3.960 -0.000 0.000 0.239 124 G C 0.884 175.751 174.900 -0.055 0.000 1.402 124 G CA 0.459 45.562 45.100 0.005 0.000 1.046 124 G HN 0.678 nan 8.290 nan 0.000 0.565 125 S N -1.160 114.470 115.700 -0.116 0.000 2.377 125 S HA -0.022 4.448 4.470 -0.000 0.000 0.223 125 S C 1.660 175.985 174.600 -0.458 0.000 1.030 125 S CA 1.135 59.105 58.200 -0.383 0.000 0.970 125 S CB -0.313 62.483 63.200 -0.674 0.000 0.830 125 S HN 0.576 nan 8.310 nan 0.000 0.473 126 Y N 0.404 120.696 120.300 -0.014 0.000 2.444 126 Y HA 0.566 5.116 4.550 -0.000 0.000 0.249 126 Y C 0.659 176.550 175.900 -0.015 0.000 1.134 126 Y CA -0.557 57.535 58.100 -0.012 0.000 1.261 126 Y CB 0.134 38.592 38.460 -0.003 0.000 1.143 126 Y HN 0.040 nan 8.280 nan 0.000 0.523 127 L N -0.584 120.721 121.223 0.137 0.000 2.183 127 L HA 0.789 5.129 4.340 -0.000 0.000 0.253 127 L C -1.283 175.601 176.870 0.023 0.000 1.048 127 L CA -1.451 53.432 54.840 0.072 0.000 0.890 127 L CB 2.788 44.890 42.059 0.071 0.000 1.476 127 L HN -0.307 nan 8.230 nan 0.000 0.455 128 V N 1.851 121.767 119.914 0.003 0.000 2.719 128 V HA 0.301 4.421 4.120 -0.000 0.000 0.289 128 V C -1.480 174.591 176.094 -0.037 0.000 1.167 128 V CA -0.370 61.920 62.300 -0.018 0.000 0.929 128 V CB 2.041 33.850 31.823 -0.022 0.000 1.050 128 V HN 0.415 nan 8.190 nan 0.000 0.448 129 L N 7.495 128.683 121.223 -0.059 0.000 2.325 129 L HA 0.692 5.032 4.340 -0.000 0.000 0.279 129 L C 0.042 176.820 176.870 -0.154 0.000 1.054 129 L CA 0.016 54.790 54.840 -0.110 0.000 0.804 129 L CB 1.621 43.597 42.059 -0.139 0.000 1.200 129 L HN 0.631 nan 8.230 nan 0.000 0.436 130 M N 6.952 126.450 119.600 -0.169 0.000 3.170 130 M HA 0.289 4.768 4.480 -0.000 0.000 0.263 130 M C -2.043 174.093 176.300 -0.273 0.000 1.153 130 M CA -1.971 53.235 55.300 -0.157 0.000 0.949 130 M CB -0.019 32.542 32.600 -0.064 0.000 1.291 130 M HN 0.331 nan 8.290 nan 0.000 0.550 131 P HA 0.078 nan 4.420 nan 0.000 0.286 131 P C 0.041 176.965 177.300 -0.627 0.000 1.577 131 P CA 0.781 63.370 63.100 -0.851 0.000 0.805 131 P CB -0.428 30.032 31.700 -2.066 0.000 1.706 132 N N 0.406 118.923 118.700 -0.305 0.000 2.092 132 N HA -0.034 4.705 4.740 -0.000 0.000 0.218 132 N C -1.296 174.159 175.510 -0.090 0.000 1.428 132 N CA -0.366 52.573 53.050 -0.184 0.000 0.961 132 N CB -0.285 38.062 38.487 -0.233 0.000 1.148 132 N HN 0.076 nan 8.380 nan 0.000 0.586 133 N N -0.364 118.330 118.700 -0.011 0.000 2.905 133 N HA 0.181 4.921 4.740 -0.000 0.000 0.255 133 N C -2.942 172.591 175.510 0.038 0.000 1.199 133 N CA -0.886 52.204 53.050 0.067 0.000 0.911 133 N CB 2.012 40.661 38.487 0.271 0.000 1.550 133 N HN -0.154 nan 8.380 nan 0.000 0.599 134 P HA -0.050 nan 4.420 nan 0.000 0.241 134 P C 1.260 178.568 177.300 0.012 0.000 1.191 134 P CA 0.321 63.424 63.100 0.005 0.000 0.771 134 P CB 0.489 32.191 31.700 0.004 0.000 0.929 135 R N 1.823 122.339 120.500 0.028 0.000 2.507 135 R HA -0.140 4.199 4.340 -0.000 0.000 0.197 135 R C 0.687 176.992 176.300 0.008 0.000 0.952 135 R CA 1.971 58.086 56.100 0.025 0.000 0.778 135 R CB -1.384 28.944 30.300 0.047 0.000 0.719 135 R HN 0.093 nan 8.270 nan 0.000 0.447 136 A N -0.047 122.776 122.820 0.005 0.000 2.409 136 A HA 0.499 4.819 4.320 -0.000 0.000 0.267 136 A C 0.192 177.765 177.584 -0.018 0.000 1.127 136 A CA 0.178 52.205 52.037 -0.017 0.000 0.795 136 A CB 0.569 19.545 19.000 -0.039 0.000 1.061 136 A HN 0.737 nan 8.150 nan 0.000 0.502 137 G N 0.323 109.111 108.800 -0.019 0.000 3.247 137 G HA2 0.880 4.840 3.960 -0.000 0.000 0.226 137 G HA3 0.880 4.840 3.960 -0.000 0.000 0.226 137 G C 0.111 175.000 174.900 -0.018 0.000 1.220 137 G CA -0.124 44.965 45.100 -0.018 0.000 0.875 137 G HN 2.094 nan 8.290 nan 0.000 0.606 138 G N -1.517 107.275 108.800 -0.013 0.000 2.260 138 G HA2 0.448 4.407 3.960 -0.000 0.000 0.250 138 G HA3 0.448 4.407 3.960 -0.000 0.000 0.250 138 G C -1.607 173.289 174.900 -0.006 0.000 1.340 138 G CA -0.039 45.055 45.100 -0.011 0.000 1.056 138 G HN 1.173 nan 8.290 nan 0.000 0.471 139 I N -0.370 120.198 120.570 -0.005 0.000 3.174 139 I HA 0.593 4.763 4.170 -0.000 0.000 0.313 139 I C 0.639 176.755 176.117 -0.002 0.000 1.155 139 I CA -0.991 60.309 61.300 -0.000 0.000 0.977 139 I CB 1.849 39.852 38.000 0.005 0.000 1.248 139 I HN 0.440 nan 8.210 nan 0.000 0.453 140 S N 1.957 117.658 115.700 0.001 0.000 3.452 140 S HA -0.052 4.418 4.470 -0.000 0.000 0.410 140 S C 1.503 176.104 174.600 0.001 0.000 1.076 140 S CA 0.617 58.817 58.200 -0.000 0.000 1.538 140 S CB -0.528 62.676 63.200 0.007 0.000 1.006 140 S HN 0.757 nan 8.310 nan 0.000 0.576 141 R N 3.357 123.854 120.500 -0.003 0.000 2.425 141 R HA -0.035 4.304 4.340 -0.000 0.000 0.206 141 R C 1.751 178.053 176.300 0.003 0.000 1.117 141 R CA 1.389 57.488 56.100 -0.002 0.000 1.098 141 R CB -1.000 29.296 30.300 -0.006 0.000 0.843 141 R HN 0.676 nan 8.270 nan 0.000 0.480 142 R N -0.470 120.034 120.500 0.006 0.000 2.075 142 R HA 0.225 4.565 4.340 -0.000 0.000 0.220 142 R C 0.872 177.181 176.300 0.015 0.000 1.118 142 R CA 0.556 56.663 56.100 0.012 0.000 0.986 142 R CB -0.174 30.135 30.300 0.015 0.000 0.884 142 R HN 0.511 nan 8.270 nan 0.000 0.439 151 L N -0.051 121.170 121.223 -0.003 0.000 2.624 151 L HA 0.773 5.113 4.340 -0.000 0.000 0.222 151 L C 2.900 179.768 176.870 -0.004 0.000 1.046 151 L CA 2.049 56.886 54.840 -0.006 0.000 0.872 151 L CB -1.233 40.824 42.059 -0.003 0.000 1.190 151 L HN 0.962 nan 8.230 nan 0.000 0.487 152 K N 0.642 121.041 120.400 -0.001 0.000 2.081 152 K HA -0.372 3.948 4.320 -0.000 0.000 0.222 152 K C 2.247 178.845 176.600 -0.003 0.000 1.055 152 K CA 4.434 60.720 56.287 -0.001 0.000 0.954 152 K CB -1.910 30.590 32.500 -0.000 0.000 0.732 152 K HN 1.281 nan 8.250 nan 0.000 0.458 153 E N -0.147 120.051 120.200 -0.003 0.000 2.007 153 E HA 0.030 4.380 4.350 -0.000 0.000 0.203 153 E C 2.672 179.268 176.600 -0.007 0.000 1.020 153 E CA 2.775 59.172 56.400 -0.005 0.000 0.845 153 E CB -1.391 28.306 29.700 -0.005 0.000 0.779 153 E HN 1.365 nan 8.360 nan 0.000 0.466 154 A N 0.447 123.261 122.820 -0.010 0.000 1.997 154 A HA 0.123 4.443 4.320 -0.000 0.000 0.221 154 A C 2.827 180.403 177.584 -0.013 0.000 1.172 154 A CA 3.593 55.621 52.037 -0.014 0.000 0.645 154 A CB -1.200 17.787 19.000 -0.022 0.000 0.813 154 A HN 1.423 nan 8.150 nan 0.000 0.454 155 L N -1.287 119.931 121.223 -0.009 0.000 2.005 155 L HA 0.217 4.557 4.340 -0.000 0.000 0.207 155 L C 3.017 179.884 176.870 -0.006 0.000 1.072 155 L CA 2.583 57.418 54.840 -0.007 0.000 0.744 155 L CB -2.217 39.840 42.059 -0.004 0.000 0.895 155 L HN 0.724 nan 8.230 nan 0.000 0.433 156 A N 0.820 123.637 122.820 -0.004 0.000 1.881 156 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 156 A C 2.690 180.272 177.584 -0.003 0.000 1.215 156 A CA 3.124 55.159 52.037 -0.003 0.000 0.648 156 A CB -1.423 17.575 19.000 -0.003 0.000 0.832 156 A HN 1.465 nan 8.150 nan 0.000 0.455 157 S N -0.999 114.698 115.700 -0.005 0.000 2.520 157 S HA 0.140 4.610 4.470 -0.000 0.000 0.249 157 S C 0.861 175.458 174.600 -0.005 0.000 0.983 157 S CA 0.648 58.844 58.200 -0.005 0.000 0.958 157 S CB -1.934 61.262 63.200 -0.008 0.000 0.750 157 S HN 1.390 nan 8.310 nan 0.000 0.527 158 L N 1.232 122.452 121.223 -0.005 0.000 2.513 158 L HA 0.677 5.017 4.340 -0.000 0.000 0.272 158 L C 0.897 177.767 176.870 0.001 0.000 1.187 158 L CA 0.346 55.184 54.840 -0.004 0.000 0.895 158 L CB -1.794 40.263 42.059 -0.004 0.000 1.147 158 L HN 0.629 nan 8.230 nan 0.000 0.483 159 E N 3.536 123.738 120.200 0.003 0.000 1.972 159 E HA 0.578 4.928 4.350 -0.000 0.000 0.292 159 E C -0.032 176.575 176.600 0.012 0.000 1.193 159 E CA 0.293 56.698 56.400 0.008 0.000 1.228 159 E CB -0.603 29.102 29.700 0.009 0.000 1.167 159 E HN 2.332 nan 8.360 nan 0.000 0.479 160 L N 1.411 122.640 121.223 0.009 0.000 2.281 160 L HA 0.720 5.060 4.340 -0.000 0.000 0.285 160 L C -1.405 175.475 176.870 0.016 0.000 1.074 160 L CA -1.773 53.074 54.840 0.011 0.000 0.817 160 L CB 0.208 42.268 42.059 0.002 0.000 1.168 160 L HN 0.458 nan 8.230 nan 0.000 0.434 161 P HA 0.496 nan 4.420 nan 0.000 0.270 161 P C 0.935 178.250 177.300 0.025 0.000 1.227 161 P CA 0.603 63.724 63.100 0.035 0.000 0.788 161 P CB 0.585 32.321 31.700 0.060 0.000 0.926 162 E N -0.019 120.199 120.200 0.029 0.000 2.413 162 E HA 0.113 4.462 4.350 -0.000 0.000 0.203 162 E C 1.964 178.575 176.600 0.018 0.000 0.957 162 E CA 0.645 57.056 56.400 0.020 0.000 0.950 162 E CB -0.987 28.725 29.700 0.020 0.000 0.957 162 E HN 0.618 nan 8.360 nan 0.000 0.497 163 G N 0.632 109.450 108.800 0.031 0.000 2.501 163 G HA2 0.099 4.058 3.960 -0.000 0.000 0.220 163 G HA3 0.099 4.058 3.960 -0.000 0.000 0.220 163 G C 0.984 175.881 174.900 -0.004 0.000 1.114 163 G CA 1.274 46.391 45.100 0.029 0.000 0.757 163 G HN 0.580 nan 8.290 nan 0.000 0.559 164 M N -1.653 117.932 119.600 -0.025 0.000 2.622 164 M HA 0.684 5.164 4.480 -0.000 0.000 0.276 164 M C -0.691 175.581 176.300 -0.047 0.000 1.265 164 M CA -0.726 54.535 55.300 -0.065 0.000 0.850 164 M CB 1.451 33.951 32.600 -0.166 0.000 1.720 164 M HN -0.016 nan 8.290 nan 0.000 0.465 165 G N 1.431 110.204 108.800 -0.045 0.000 2.569 165 G HA2 0.790 4.750 3.960 -0.000 0.000 0.300 165 G HA3 0.790 4.750 3.960 -0.000 0.000 0.300 165 G C -1.631 173.244 174.900 -0.042 0.000 1.269 165 G CA -1.024 44.057 45.100 -0.031 0.000 0.959 165 G HN 1.123 nan 8.290 nan 0.000 0.478 166 L N -1.021 120.183 121.223 -0.031 0.000 2.359 166 L HA 0.909 5.249 4.340 -0.000 0.000 0.256 166 L C -1.545 175.312 176.870 -0.021 0.000 1.026 166 L CA -1.194 53.627 54.840 -0.032 0.000 0.828 166 L CB 2.132 44.174 42.059 -0.029 0.000 1.406 166 L HN 0.428 nan 8.230 nan 0.000 0.413 167 I N 1.078 121.637 120.570 -0.018 0.000 3.067 167 I HA 0.706 4.876 4.170 -0.000 0.000 0.312 167 I C -0.460 175.658 176.117 0.003 0.000 1.073 167 I CA -0.941 60.353 61.300 -0.010 0.000 1.016 167 I CB 1.985 39.976 38.000 -0.016 0.000 1.227 167 I HN 0.418 nan 8.210 nan 0.000 0.456 168 V N 0.545 120.465 119.914 0.010 0.000 2.444 168 V HA 0.615 4.735 4.120 -0.000 0.000 0.294 168 V C -0.084 176.030 176.094 0.034 0.000 1.022 168 V CA -0.943 61.376 62.300 0.031 0.000 0.850 168 V CB 0.913 32.753 31.823 0.030 0.000 0.992 168 V HN 0.608 nan 8.190 nan 0.000 0.426 169 R N 1.897 122.427 120.500 0.050 0.000 2.694 169 R HA 0.274 4.614 4.340 -0.000 0.000 0.268 169 R C 1.437 177.759 176.300 0.036 0.000 1.061 169 R CA 0.130 56.243 56.100 0.022 0.000 1.133 169 R CB 0.311 30.605 30.300 -0.009 0.000 1.020 169 R HN 0.797 nan 8.270 nan 0.000 0.475 170 T N 1.319 115.880 114.554 0.012 0.000 2.931 170 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 170 T C 1.169 175.896 174.700 0.044 0.000 1.133 170 T CA 1.998 64.110 62.100 0.020 0.000 1.115 170 T CB -0.060 68.810 68.868 0.002 0.000 0.808 170 T HN 0.755 nan 8.240 nan 0.000 0.561 171 A N -0.393 122.462 122.820 0.057 0.000 2.390 171 A HA 0.578 4.898 4.320 -0.000 0.000 0.225 171 A C 2.134 179.845 177.584 0.212 0.000 1.232 171 A CA 0.549 52.630 52.037 0.073 0.000 0.964 171 A CB 0.003 18.986 19.000 -0.028 0.000 1.064 171 A HN 0.421 nan 8.150 nan 0.000 0.525 172 G N -0.316 108.656 108.800 0.287 0.000 2.776 172 G HA2 0.122 4.082 3.960 -0.000 0.000 0.209 172 G HA3 0.122 4.082 3.960 -0.000 0.000 0.209 172 G C 1.166 176.159 174.900 0.154 0.000 1.145 172 G CA 0.996 46.318 45.100 0.370 0.000 0.791 172 G HN 0.224 nan 8.290 nan 0.000 0.530 173 V N 1.236 121.225 119.914 0.125 0.000 2.358 173 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 173 V C 3.074 179.210 176.094 0.069 0.000 1.047 173 V CA 2.155 64.500 62.300 0.075 0.000 1.035 173 V CB -0.669 31.192 31.823 0.063 0.000 0.658 173 V HN 0.410 nan 8.190 nan 0.000 0.452 174 G N 0.008 108.868 108.800 0.099 0.000 2.599 174 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 174 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 174 G C 1.027 175.958 174.900 0.050 0.000 1.193 174 G CA 1.664 46.817 45.100 0.088 0.000 0.778 174 G HN 0.680 nan 8.290 nan 0.000 0.589 175 K N -0.300 120.121 120.400 0.035 0.000 2.526 175 K HA 0.726 5.046 4.320 -0.000 0.000 0.256 175 K C 0.344 176.890 176.600 -0.089 0.000 1.035 175 K CA 0.162 56.421 56.287 -0.046 0.000 1.011 175 K CB 0.343 32.741 32.500 -0.170 0.000 1.343 175 K HN 0.946 nan 8.250 nan 0.000 0.510 176 S N -1.639 113.979 115.700 -0.137 0.000 2.513 176 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 176 S C 1.181 175.714 174.600 -0.112 0.000 1.087 176 S CA -0.178 57.966 58.200 -0.094 0.000 1.012 176 S CB 1.611 64.771 63.200 -0.066 0.000 1.044 176 S HN 1.286 nan 8.310 nan 0.000 0.485 177 A N 2.398 125.174 122.820 -0.074 0.000 1.883 177 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 177 A C 2.351 179.894 177.584 -0.068 0.000 1.186 177 A CA 2.553 54.551 52.037 -0.066 0.000 0.624 177 A CB -2.086 16.890 19.000 -0.040 0.000 0.822 177 A HN 1.432 nan 8.150 nan 0.000 0.444 178 E N -0.915 119.252 120.200 -0.055 0.000 2.257 178 E HA -0.279 4.070 4.350 -0.000 0.000 0.229 178 E C 2.167 178.730 176.600 -0.060 0.000 1.089 178 E CA 3.254 59.626 56.400 -0.047 0.000 0.947 178 E CB -1.356 28.320 29.700 -0.040 0.000 0.808 178 E HN 1.466 nan 8.360 nan 0.000 0.471 179 A N -0.647 122.111 122.820 -0.103 0.000 2.169 179 A HA 0.421 4.741 4.320 -0.000 0.000 0.210 179 A C 2.332 179.829 177.584 -0.146 0.000 1.168 179 A CA 0.719 52.682 52.037 -0.124 0.000 0.813 179 A CB 0.107 19.000 19.000 -0.179 0.000 0.861 179 A HN 0.451 nan 8.150 nan 0.000 0.481 180 L N -0.789 120.343 121.223 -0.152 0.000 2.046 180 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 180 L C 3.252 180.103 176.870 -0.032 0.000 1.077 180 L CA 1.695 56.481 54.840 -0.091 0.000 0.747 180 L CB -1.630 40.384 42.059 -0.076 0.000 0.896 180 L HN 0.591 nan 8.230 nan 0.000 0.432 181 Q N -0.186 119.596 119.800 -0.031 0.000 2.142 181 Q HA -0.337 4.003 4.340 -0.000 0.000 0.213 181 Q C 2.084 178.084 176.000 -0.001 0.000 1.004 181 Q CA 2.774 58.570 55.803 -0.012 0.000 0.883 181 Q CB -2.176 26.554 28.738 -0.013 0.000 0.939 181 Q HN 0.668 nan 8.270 nan 0.000 0.413 182 W N 0.146 121.440 121.300 -0.010 0.000 2.678 182 W HA 0.070 4.730 4.660 -0.000 0.000 0.256 182 W C 1.784 178.325 176.519 0.037 0.000 1.280 182 W CA 0.508 57.859 57.345 0.009 0.000 1.345 182 W CB 0.311 29.771 29.460 0.000 0.000 1.118 182 W HN 0.782 nan 8.180 nan 0.000 0.629 183 D N -0.024 120.401 120.400 0.042 0.000 2.165 183 D HA -0.077 4.563 4.640 -0.000 0.000 0.213 183 D C 2.642 178.976 176.300 0.057 0.000 0.983 183 D CA 2.315 56.365 54.000 0.083 0.000 0.881 183 D CB -0.928 39.955 40.800 0.139 0.000 1.028 183 D HN 0.242 nan 8.370 nan 0.000 0.457 184 L N 1.092 122.340 121.223 0.040 0.000 2.261 184 L HA -0.085 4.255 4.340 -0.000 0.000 0.216 184 L C 2.578 179.471 176.870 0.038 0.000 1.114 184 L CA 2.446 57.306 54.840 0.032 0.000 0.777 184 L CB -1.908 40.162 42.059 0.019 0.000 0.910 184 L HN 0.326 nan 8.230 nan 0.000 0.440 185 S N -1.599 114.123 115.700 0.036 0.000 2.426 185 S HA -0.264 4.206 4.470 -0.000 0.000 0.220 185 S C 1.993 176.623 174.600 0.050 0.000 1.040 185 S CA 1.534 59.758 58.200 0.040 0.000 1.094 185 S CB -1.520 61.699 63.200 0.032 0.000 1.072 185 S HN 0.726 nan 8.310 nan 0.000 0.415 186 F N 2.576 122.555 119.950 0.049 0.000 2.451 186 F HA 0.094 4.621 4.527 -0.000 0.000 0.299 186 F C 2.741 178.573 175.800 0.052 0.000 1.101 186 F CA 0.223 58.252 58.000 0.048 0.000 1.436 186 F CB -0.958 38.071 39.000 0.048 0.000 1.074 186 F HN 0.278 nan 8.300 nan 0.000 0.553 187 R N 0.093 120.627 120.500 0.058 0.000 2.147 187 R HA -0.094 4.246 4.340 -0.000 0.000 0.209 187 R C 2.250 178.621 176.300 0.117 0.000 1.129 187 R CA 1.217 57.356 56.100 0.065 0.000 0.914 187 R CB -1.375 28.952 30.300 0.044 0.000 0.771 187 R HN 0.320 nan 8.270 nan 0.000 0.474 188 L N 1.179 122.491 121.223 0.148 0.000 2.318 188 L HA -0.419 3.920 4.340 -0.000 0.000 0.240 188 L C 2.976 179.955 176.870 0.182 0.000 1.135 188 L CA 3.752 58.735 54.840 0.239 0.000 0.850 188 L CB -1.407 40.752 42.059 0.166 0.000 0.970 188 L HN 0.542 nan 8.230 nan 0.000 0.442 189 K N -0.997 119.463 120.400 0.100 0.000 2.089 189 K HA -0.283 4.037 4.320 -0.000 0.000 0.210 189 K C 1.936 178.560 176.600 0.040 0.000 1.048 189 K CA 3.011 59.331 56.287 0.055 0.000 0.926 189 K CB -2.365 30.159 32.500 0.040 0.000 0.714 189 K HN 0.804 nan 8.250 nan 0.000 0.448 190 H N -1.339 117.763 119.070 0.053 0.000 2.274 190 H HA -0.154 4.402 4.556 -0.000 0.000 0.296 190 H C 2.116 177.492 175.328 0.080 0.000 1.061 190 H CA 2.242 58.312 56.048 0.037 0.000 1.226 190 H CB -1.390 28.380 29.762 0.014 0.000 1.370 190 H HN 0.779 nan 8.280 nan 0.000 0.507 191 W N 2.451 123.726 121.300 -0.042 0.000 2.279 191 W HA -0.300 4.360 4.660 -0.000 0.000 0.298 191 W C 2.183 178.692 176.519 -0.018 0.000 1.228 191 W CA 3.545 60.872 57.345 -0.030 0.000 1.230 191 W CB -0.439 29.010 29.460 -0.017 0.000 1.138 191 W HN 0.732 nan 8.180 nan 0.000 0.532 192 E N 0.830 120.911 120.200 -0.198 0.000 1.998 192 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 192 E C 2.217 178.659 176.600 -0.263 0.000 1.003 192 E CA 2.291 58.502 56.400 -0.316 0.000 0.829 192 E CB -1.500 28.121 29.700 -0.133 0.000 0.777 192 E HN 0.408 nan 8.360 nan 0.000 0.460 193 A N 0.724 123.464 122.820 -0.133 0.000 1.929 193 A HA -0.091 4.229 4.320 -0.000 0.000 0.221 193 A C 2.730 180.249 177.584 -0.109 0.000 1.211 193 A CA 3.902 55.884 52.037 -0.092 0.000 0.657 193 A CB -1.461 17.513 19.000 -0.044 0.000 0.827 193 A HN 1.462 nan 8.150 nan 0.000 0.462 194 I N -1.253 119.249 120.570 -0.113 0.000 2.657 194 I HA 0.096 4.265 4.170 -0.000 0.000 0.261 194 I C 2.564 178.562 176.117 -0.199 0.000 1.212 194 I CA 2.921 64.173 61.300 -0.080 0.000 1.453 194 I CB -2.285 35.742 38.000 0.046 0.000 1.092 194 I HN 0.761 nan 8.210 nan 0.000 0.452 195 K N 0.498 120.664 120.400 -0.389 0.000 2.102 195 K HA 0.272 4.591 4.320 -0.000 0.000 0.206 195 K C 2.592 179.058 176.600 -0.223 0.000 1.031 195 K CA 1.376 57.390 56.287 -0.454 0.000 0.962 195 K CB -1.281 30.780 32.500 -0.731 0.000 0.811 195 K HN 0.782 nan 8.250 nan 0.000 0.453 196 K N 0.801 121.089 120.400 -0.186 0.000 2.283 196 K HA 0.414 4.734 4.320 -0.000 0.000 0.202 196 K C 2.310 178.885 176.600 -0.042 0.000 1.048 196 K CA 1.428 57.655 56.287 -0.100 0.000 0.948 196 K CB -0.896 31.549 32.500 -0.091 0.000 0.742 196 K HN 0.744 nan 8.250 nan 0.000 0.458 197 A N 0.071 122.872 122.820 -0.032 0.000 2.239 197 A HA 0.479 4.799 4.320 -0.000 0.000 0.209 197 A C 2.361 180.014 177.584 0.115 0.000 1.171 197 A CA 1.325 53.383 52.037 0.035 0.000 0.768 197 A CB -0.372 18.651 19.000 0.039 0.000 0.790 197 A HN 0.728 nan 8.150 nan 0.000 0.478 198 A N -0.960 121.899 122.820 0.064 0.000 1.963 198 A HA 0.388 4.708 4.320 -0.000 0.000 0.207 198 A C 1.923 179.558 177.584 0.086 0.000 1.243 198 A CA 1.270 53.375 52.037 0.113 0.000 0.728 198 A CB -0.653 18.364 19.000 0.029 0.000 0.895 198 A HN 0.653 nan 8.150 nan 0.000 0.467 199 E N 0.322 120.533 120.200 0.019 0.000 2.352 199 E HA -0.178 4.172 4.350 -0.000 0.000 0.203 199 E C 1.961 178.576 176.600 0.024 0.000 1.024 199 E CA 2.392 58.797 56.400 0.008 0.000 0.842 199 E CB -1.620 28.066 29.700 -0.024 0.000 0.753 199 E HN 0.925 nan 8.360 nan 0.000 0.508 200 S N 0.842 116.567 115.700 0.041 0.000 2.436 200 S HA 0.065 4.535 4.470 -0.000 0.000 0.208 200 S C 1.605 176.223 174.600 0.030 0.000 1.063 200 S CA 1.686 59.900 58.200 0.024 0.000 1.120 200 S CB -0.153 63.054 63.200 0.013 0.000 1.053 200 S HN 0.757 nan 8.310 nan 0.000 0.407 201 R N 0.673 121.205 120.500 0.053 0.000 2.923 201 R HA 0.581 4.921 4.340 -0.000 0.000 0.252 201 R C -3.140 173.233 176.300 0.123 0.000 1.130 201 R CA -1.729 54.384 56.100 0.021 0.000 1.043 201 R CB -0.337 29.886 30.300 -0.129 0.000 1.205 201 R HN 0.065 nan 8.270 nan 0.000 0.495 202 P HA -0.157 nan 4.420 nan 0.000 0.261 202 P C -0.169 177.322 177.300 0.318 0.000 1.140 202 P CA 0.843 64.027 63.100 0.140 0.000 0.757 202 P CB 0.372 32.119 31.700 0.079 0.000 0.735 203 A N 6.209 129.223 122.820 0.324 0.000 2.123 203 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 203 A C -0.934 176.865 177.584 0.359 0.000 1.152 203 A CA 0.376 52.632 52.037 0.364 0.000 0.728 203 A CB -1.472 17.594 19.000 0.111 0.000 0.814 203 A HN 0.405 nan 8.150 nan 0.000 0.464 204 P HA 0.056 nan 4.420 nan 0.000 0.207 204 P C -0.746 176.746 177.300 0.319 0.000 1.333 204 P CA 0.896 64.150 63.100 0.257 0.000 0.881 204 P CB -1.207 30.613 31.700 0.201 0.000 1.634 205 F N -3.187 116.842 119.950 0.132 0.000 2.746 205 F HA 0.390 4.917 4.527 -0.000 0.000 0.311 205 F C -1.170 174.672 175.800 0.070 0.000 1.135 205 F CA -2.033 56.022 58.000 0.092 0.000 0.954 205 F CB 0.182 39.202 39.000 0.033 0.000 1.276 205 F HN -0.282 nan 8.300 nan 0.000 0.440 206 L N 2.892 124.109 121.223 -0.010 0.000 2.453 206 L HA 0.331 4.671 4.340 -0.000 0.000 0.274 206 L C -0.177 176.519 176.870 -0.290 0.000 1.270 206 L CA 0.741 55.281 54.840 -0.500 0.000 0.822 206 L CB -0.138 41.665 42.059 -0.426 0.000 1.091 206 L HN 0.917 nan 8.230 nan 0.000 0.546 207 I N -1.356 119.023 120.570 -0.317 0.000 4.886 207 I HA 0.105 4.275 4.170 -0.000 0.000 0.312 207 I C -0.923 175.224 176.117 0.051 0.000 1.161 207 I CA -0.199 61.072 61.300 -0.049 0.000 1.393 207 I CB 0.472 38.427 38.000 -0.074 0.000 1.647 207 I HN 0.721 nan 8.210 nan 0.000 0.496 208 H N 1.390 120.387 119.070 -0.122 0.000 3.029 208 H HA 0.520 5.076 4.556 -0.000 0.000 0.358 208 H C -1.206 174.091 175.328 -0.052 0.000 1.129 208 H CA -0.634 55.386 56.048 -0.046 0.000 1.230 208 H CB 1.595 31.366 29.762 0.014 0.000 1.827 208 H HN -0.039 nan 8.280 nan 0.000 0.530 209 Q N 3.380 122.781 119.800 -0.666 0.000 2.368 209 Q HA 0.288 4.628 4.340 -0.000 0.000 0.263 209 Q C -0.872 174.786 176.000 -0.570 0.000 1.009 209 Q CA -0.926 54.589 55.803 -0.480 0.000 0.818 209 Q CB 1.214 29.835 28.738 -0.194 0.000 1.239 209 Q HN 0.654 nan 8.270 nan 0.000 0.464 210 E N 2.506 122.461 120.200 -0.408 0.000 2.502 210 E HA 0.098 4.448 4.350 -0.000 0.000 0.261 210 E C -0.927 175.616 176.600 -0.095 0.000 0.974 210 E CA 0.297 56.580 56.400 -0.196 0.000 0.936 210 E CB 0.513 30.174 29.700 -0.065 0.000 0.926 210 E HN 0.639 nan 8.360 nan 0.000 0.459 211 S N 3.645 119.324 115.700 -0.036 0.000 2.617 211 S HA 0.235 4.705 4.470 -0.000 0.000 0.269 211 S C 0.359 174.927 174.600 -0.054 0.000 1.292 211 S CA -0.538 57.638 58.200 -0.039 0.000 1.010 211 S CB 0.485 63.665 63.200 -0.033 0.000 0.944 211 S HN 0.777 nan 8.310 nan 0.000 0.536 212 N N 0.146 118.806 118.700 -0.067 0.000 2.240 212 N HA -0.073 4.667 4.740 -0.000 0.000 0.245 212 N C 0.954 176.423 175.510 -0.068 0.000 1.311 212 N CA 0.103 53.120 53.050 -0.055 0.000 0.873 212 N CB -0.581 37.880 38.487 -0.044 0.000 1.049 212 N HN 0.311 nan 8.380 nan 0.000 0.466 213 V N -0.388 119.489 119.914 -0.062 0.000 2.270 213 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 213 V C 2.226 178.235 176.094 -0.141 0.000 1.043 213 V CA 1.558 63.811 62.300 -0.078 0.000 1.014 213 V CB -0.819 30.966 31.823 -0.064 0.000 0.645 213 V HN 0.655 nan 8.190 nan 0.000 0.447 214 I N -0.066 120.397 120.570 -0.178 0.000 2.091 214 I HA -0.264 3.906 4.170 -0.000 0.000 0.239 214 I C 2.355 178.212 176.117 -0.433 0.000 1.061 214 I CA 2.366 63.449 61.300 -0.363 0.000 1.317 214 I CB -0.428 37.418 38.000 -0.257 0.000 1.031 214 I HN 0.382 nan 8.210 nan 0.000 0.401 215 V N -0.581 119.181 119.914 -0.254 0.000 2.215 215 V HA -0.352 3.767 4.120 -0.000 0.000 0.246 215 V C 2.419 178.451 176.094 -0.104 0.000 1.047 215 V CA 1.800 64.002 62.300 -0.164 0.000 0.999 215 V CB -1.362 30.323 31.823 -0.230 0.000 0.635 215 V HN 0.356 nan 8.190 nan 0.000 0.450 216 R N 0.769 121.216 120.500 -0.087 0.000 2.301 216 R HA -0.383 3.956 4.340 -0.000 0.000 0.250 216 R C 2.410 178.701 176.300 -0.015 0.000 1.102 216 R CA 2.690 58.766 56.100 -0.040 0.000 0.933 216 R CB -1.324 28.963 30.300 -0.023 0.000 0.955 216 R HN 0.712 nan 8.270 nan 0.000 0.439 217 A N 0.314 123.082 122.820 -0.087 0.000 1.858 217 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 217 A C 2.124 179.691 177.584 -0.029 0.000 1.190 217 A CA 1.417 53.421 52.037 -0.056 0.000 0.617 217 A CB -0.882 17.975 19.000 -0.239 0.000 0.827 217 A HN 0.370 nan 8.150 nan 0.000 0.443 218 F N -0.586 119.358 119.950 -0.010 0.000 2.250 218 F HA -0.187 4.340 4.527 -0.000 0.000 0.301 218 F C 2.560 178.275 175.800 -0.142 0.000 1.077 218 F CA 1.337 59.286 58.000 -0.085 0.000 1.348 218 F CB -0.059 38.898 39.000 -0.071 0.000 1.040 218 F HN 0.223 nan 8.300 nan 0.000 0.509 219 R N 0.688 121.210 120.500 0.037 0.000 2.043 219 R HA -0.085 4.254 4.340 -0.000 0.000 0.221 219 R C 1.686 177.918 176.300 -0.114 0.000 1.196 219 R CA 1.520 57.584 56.100 -0.060 0.000 0.949 219 R CB -0.249 30.018 30.300 -0.055 0.000 0.838 219 R HN 0.067 nan 8.270 nan 0.000 0.446 220 D N -0.677 119.647 120.400 -0.127 0.000 2.317 220 D HA -0.092 4.548 4.640 -0.000 0.000 0.211 220 D C -0.066 175.910 176.300 -0.540 0.000 0.966 220 D CA 1.048 54.850 54.000 -0.330 0.000 0.876 220 D CB 0.324 40.881 40.800 -0.405 0.000 0.927 220 D HN 0.328 nan 8.370 nan 0.000 0.519 221 Y N 0.491 120.764 120.300 -0.045 0.000 2.473 221 Y HA 0.400 4.950 4.550 -0.000 0.000 0.345 221 Y C -0.190 175.715 175.900 0.009 0.000 0.932 221 Y CA -0.343 57.743 58.100 -0.024 0.000 1.124 221 Y CB 0.908 39.338 38.460 -0.050 0.000 1.162 221 Y HN -0.262 nan 8.280 nan 0.000 0.629 222 L N 1.883 123.152 121.223 0.077 0.000 2.438 222 L HA 0.626 4.965 4.340 -0.000 0.000 0.270 222 L C -0.713 176.211 176.870 0.090 0.000 0.972 222 L CA -0.658 54.233 54.840 0.085 0.000 0.831 222 L CB 1.782 43.800 42.059 -0.069 0.000 1.273 222 L HN 0.300 nan 8.230 nan 0.000 0.405 223 R N 1.401 122.023 120.500 0.204 0.000 3.045 223 R HA 0.342 4.681 4.340 -0.000 0.000 0.245 223 R C 0.004 176.471 176.300 0.279 0.000 1.333 223 R CA -0.854 55.367 56.100 0.202 0.000 1.036 223 R CB 0.609 31.000 30.300 0.152 0.000 1.340 223 R HN 0.404 nan 8.270 nan 0.000 0.488 224 Q N 1.233 121.146 119.800 0.189 0.000 2.167 224 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 224 Q C 0.944 176.998 176.000 0.089 0.000 0.970 224 Q CA 1.980 57.867 55.803 0.140 0.000 0.855 224 Q CB -0.391 28.403 28.738 0.094 0.000 0.911 224 Q HN 0.548 nan 8.270 nan 0.000 0.438 225 D N -0.737 119.720 120.400 0.096 0.000 2.310 225 D HA -0.109 4.531 4.640 -0.000 0.000 0.212 225 D C 0.236 176.582 176.300 0.077 0.000 0.965 225 D CA 0.201 54.240 54.000 0.065 0.000 0.879 225 D CB -0.399 40.434 40.800 0.057 0.000 0.921 225 D HN 0.274 nan 8.370 nan 0.000 0.510 226 I N 1.780 122.433 120.570 0.137 0.000 2.691 226 I HA 0.053 4.223 4.170 -0.000 0.000 0.288 226 I C 1.794 177.950 176.117 0.065 0.000 1.143 226 I CA -0.168 61.226 61.300 0.158 0.000 1.364 226 I CB 0.584 38.765 38.000 0.301 0.000 1.435 226 I HN 0.003 nan 8.210 nan 0.000 0.551 227 G N 6.613 115.433 108.800 0.034 0.000 2.705 227 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.214 227 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.214 227 G C 0.491 175.383 174.900 -0.014 0.000 1.321 227 G CA 0.226 45.320 45.100 -0.009 0.000 0.826 227 G HN 0.613 nan 8.290 nan 0.000 0.595 228 E N -0.912 119.298 120.200 0.016 0.000 2.254 228 E HA 0.614 4.964 4.350 -0.000 0.000 0.258 228 E C -0.746 175.906 176.600 0.086 0.000 1.033 228 E CA -0.580 55.840 56.400 0.034 0.000 0.893 228 E CB 2.141 31.860 29.700 0.032 0.000 1.204 228 E HN 0.135 nan 8.360 nan 0.000 0.425 229 I N 2.411 123.051 120.570 0.117 0.000 2.623 229 I HA 0.178 4.348 4.170 -0.000 0.000 0.275 229 I C -0.783 175.424 176.117 0.149 0.000 1.108 229 I CA -0.430 60.970 61.300 0.167 0.000 1.120 229 I CB 0.366 38.518 38.000 0.255 0.000 1.249 229 I HN 0.260 nan 8.210 nan 0.000 0.500 230 L N 5.753 127.050 121.223 0.123 0.000 2.433 230 L HA 0.322 4.662 4.340 -0.000 0.000 0.275 230 L C -0.135 176.849 176.870 0.190 0.000 1.128 230 L CA 0.115 55.052 54.840 0.162 0.000 0.875 230 L CB 0.277 42.451 42.059 0.192 0.000 1.171 230 L HN 0.441 nan 8.230 nan 0.000 0.463 231 I N 2.955 123.644 120.570 0.198 0.000 2.460 231 I HA 0.114 4.284 4.170 -0.000 0.000 0.298 231 I C 0.617 176.850 176.117 0.194 0.000 0.989 231 I CA -0.074 61.342 61.300 0.193 0.000 1.173 231 I CB 1.790 39.900 38.000 0.183 0.000 1.338 231 I HN 0.579 nan 8.210 nan 0.000 0.456 232 D N 2.666 123.164 120.400 0.163 0.000 2.388 232 D HA 0.073 4.713 4.640 -0.000 0.000 0.221 232 D C -0.218 176.107 176.300 0.042 0.000 1.133 232 D CA -0.078 53.983 54.000 0.101 0.000 0.831 232 D CB -0.213 40.605 40.800 0.029 0.000 0.962 232 D HN 0.418 nan 8.370 nan 0.000 0.502 233 N N -0.083 118.657 118.700 0.068 0.000 2.599 233 N HA 0.276 5.016 4.740 -0.000 0.000 0.283 233 N C -2.483 173.058 175.510 0.051 0.000 1.160 233 N CA -1.374 51.703 53.050 0.044 0.000 0.869 233 N CB 2.183 40.692 38.487 0.037 0.000 1.448 233 N HN -0.361 nan 8.380 nan 0.000 0.535 234 P HA -0.181 nan 4.420 nan 0.000 0.216 234 P C 1.265 178.588 177.300 0.038 0.000 1.150 234 P CA 2.315 65.440 63.100 0.041 0.000 0.843 234 P CB 0.254 31.972 31.700 0.030 0.000 0.787 235 K N -0.443 119.977 120.400 0.032 0.000 2.103 235 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 235 K C 2.099 178.720 176.600 0.034 0.000 1.052 235 K CA 1.660 57.964 56.287 0.027 0.000 0.945 235 K CB -1.640 30.873 32.500 0.022 0.000 0.722 235 K HN -0.047 nan 8.250 nan 0.000 0.443 236 V N 1.149 121.093 119.914 0.050 0.000 2.214 236 V HA -0.249 3.871 4.120 -0.000 0.000 0.244 236 V C 2.341 178.482 176.094 0.079 0.000 1.045 236 V CA 1.861 64.203 62.300 0.070 0.000 0.993 236 V CB -0.624 31.252 31.823 0.088 0.000 0.633 236 V HN 0.609 nan 8.190 nan 0.000 0.449 237 L N -0.304 120.978 121.223 0.098 0.000 2.274 237 L HA -0.372 3.968 4.340 -0.000 0.000 0.220 237 L C 2.577 179.478 176.870 0.052 0.000 1.088 237 L CA 1.777 56.674 54.840 0.095 0.000 0.801 237 L CB -0.263 41.847 42.059 0.085 0.000 0.891 237 L HN 0.466 nan 8.230 nan 0.000 0.444 238 E N -0.029 120.188 120.200 0.029 0.000 1.992 238 E HA -0.209 4.141 4.350 -0.000 0.000 0.202 238 E C 2.100 178.669 176.600 -0.052 0.000 1.007 238 E CA 1.556 57.953 56.400 -0.005 0.000 0.857 238 E CB -0.747 28.950 29.700 -0.005 0.000 0.796 238 E HN 0.451 nan 8.360 nan 0.000 0.486 239 L N 0.546 121.713 121.223 -0.094 0.000 2.064 239 L HA -0.300 4.039 4.340 -0.000 0.000 0.216 239 L C 2.409 179.093 176.870 -0.309 0.000 1.077 239 L CA 1.544 56.201 54.840 -0.305 0.000 0.766 239 L CB -1.342 40.565 42.059 -0.253 0.000 0.890 239 L HN 0.120 nan 8.230 nan 0.000 0.435 240 A N 0.580 123.413 122.820 0.022 0.000 1.899 240 A HA -0.342 3.978 4.320 -0.000 0.000 0.230 240 A C 2.457 180.077 177.584 0.059 0.000 1.593 240 A CA 2.837 55.010 52.037 0.227 0.000 0.728 240 A CB -0.844 18.276 19.000 0.200 0.000 0.848 240 A HN 0.433 nan 8.150 nan 0.000 0.490 241 R N -1.803 118.680 120.500 -0.027 0.000 2.073 241 R HA -0.049 4.290 4.340 -0.000 0.000 0.229 241 R C 2.885 179.151 176.300 -0.057 0.000 1.120 241 R CA 1.502 57.569 56.100 -0.056 0.000 0.967 241 R CB -0.558 29.725 30.300 -0.029 0.000 0.862 241 R HN 0.781 nan 8.270 nan 0.000 0.436 242 Q N 0.654 120.402 119.800 -0.088 0.000 2.170 242 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 242 Q C 1.613 177.620 176.000 0.013 0.000 0.976 242 Q CA 1.962 57.724 55.803 -0.069 0.000 0.858 242 Q CB -1.019 27.648 28.738 -0.119 0.000 0.907 242 Q HN 0.690 nan 8.270 nan 0.000 0.433 243 H N -0.444 118.664 119.070 0.063 0.000 2.462 243 H HA 0.037 4.593 4.556 -0.000 0.000 0.292 243 H C 2.031 177.383 175.328 0.040 0.000 1.049 243 H CA 0.608 56.718 56.048 0.102 0.000 1.334 243 H CB 0.278 30.185 29.762 0.242 0.000 1.404 243 H HN 0.457 nan 8.280 nan 0.000 0.544 244 I N 0.839 121.429 120.570 0.033 0.000 2.133 244 I HA -0.197 3.973 4.170 -0.000 0.000 0.238 244 I C 2.804 178.925 176.117 0.006 0.000 1.074 244 I CA 1.029 62.286 61.300 -0.072 0.000 1.342 244 I CB -1.465 36.419 38.000 -0.195 0.000 1.053 244 I HN 0.248 nan 8.210 nan 0.000 0.404 245 A N 1.704 124.533 122.820 0.015 0.000 1.879 245 A HA -0.376 3.944 4.320 -0.000 0.000 0.234 245 A C 2.564 180.179 177.584 0.052 0.000 1.742 245 A CA 3.724 55.781 52.037 0.034 0.000 0.775 245 A CB -1.458 17.562 19.000 0.032 0.000 0.849 245 A HN 0.510 nan 8.150 nan 0.000 0.487 246 A N -1.188 121.676 122.820 0.073 0.000 1.836 246 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 246 A C 2.703 180.327 177.584 0.066 0.000 1.214 246 A CA 3.726 55.809 52.037 0.078 0.000 0.636 246 A CB -1.514 17.548 19.000 0.104 0.000 0.847 246 A HN 1.829 nan 8.150 nan 0.000 0.451 247 L N -1.653 119.608 121.223 0.064 0.000 2.113 247 L HA 0.168 4.508 4.340 -0.000 0.000 0.221 247 L C 2.410 179.292 176.870 0.019 0.000 1.084 247 L CA 2.815 57.672 54.840 0.028 0.000 0.787 247 L CB -2.284 39.786 42.059 0.017 0.000 0.893 247 L HN 2.368 nan 8.230 nan 0.000 0.440 248 G N -2.230 106.585 108.800 0.025 0.000 2.600 248 G HA2 0.109 4.069 3.960 -0.000 0.000 0.251 248 G HA3 0.109 4.069 3.960 -0.000 0.000 0.251 248 G C -0.022 174.933 174.900 0.091 0.000 1.142 248 G CA 0.169 45.311 45.100 0.071 0.000 0.994 248 G HN 1.409 nan 8.290 nan 0.000 0.511 249 R N 0.091 120.600 120.500 0.015 0.000 2.983 249 R HA 0.449 4.789 4.340 -0.000 0.000 0.300 249 R C -1.230 175.165 176.300 0.158 0.000 1.367 249 R CA -0.340 55.788 56.100 0.046 0.000 1.564 249 R CB 0.709 30.881 30.300 -0.214 0.000 1.314 249 R HN 0.482 nan 8.270 nan 0.000 0.622 250 P HA -0.068 nan 4.420 nan 0.000 0.235 250 P C 0.114 177.505 177.300 0.151 0.000 1.177 250 P CA 0.566 63.738 63.100 0.120 0.000 0.785 250 P CB 0.129 31.879 31.700 0.083 0.000 0.885 251 D N -0.282 120.229 120.400 0.184 0.000 2.886 251 D HA -0.112 4.528 4.640 -0.000 0.000 0.226 251 D C -0.048 176.352 176.300 0.168 0.000 1.117 251 D CA 0.071 54.154 54.000 0.139 0.000 1.121 251 D CB -1.147 39.733 40.800 0.135 0.000 1.186 251 D HN 0.180 nan 8.370 nan 0.000 0.440 252 F N -1.118 118.816 119.950 -0.027 0.000 3.043 252 F HA 0.032 4.559 4.527 -0.000 0.000 0.400 252 F C 2.187 177.941 175.800 -0.075 0.000 1.022 252 F CA -0.339 57.629 58.000 -0.053 0.000 1.005 252 F CB -0.079 38.869 39.000 -0.088 0.000 1.338 252 F HN -0.015 nan 8.300 nan 0.000 0.543 253 S N 0.268 116.027 115.700 0.098 0.000 2.370 253 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 253 S C 2.250 176.857 174.600 0.012 0.000 1.033 253 S CA 2.047 60.266 58.200 0.031 0.000 1.011 253 S CB -0.357 62.856 63.200 0.021 0.000 0.852 253 S HN 0.499 nan 8.310 nan 0.000 0.457 254 S N 1.035 116.733 115.700 -0.004 0.000 2.393 254 S HA -0.189 4.281 4.470 -0.000 0.000 0.234 254 S C 1.790 176.369 174.600 -0.035 0.000 1.064 254 S CA 1.609 59.790 58.200 -0.031 0.000 1.088 254 S CB -0.635 62.525 63.200 -0.066 0.000 0.939 254 S HN 0.404 nan 8.310 nan 0.000 0.448 255 K N 0.103 120.475 120.400 -0.047 0.000 2.426 255 K HA 0.435 4.755 4.320 -0.000 0.000 0.193 255 K C 0.385 177.000 176.600 0.024 0.000 1.028 255 K CA 0.074 56.319 56.287 -0.068 0.000 1.047 255 K CB -0.338 32.027 32.500 -0.226 0.000 0.821 255 K HN 0.584 nan 8.250 nan 0.000 0.513 256 I N 2.048 122.641 120.570 0.038 0.000 2.382 256 I HA 0.198 4.368 4.170 -0.000 0.000 0.285 256 I C -0.746 175.409 176.117 0.063 0.000 1.007 256 I CA -0.463 60.875 61.300 0.064 0.000 1.142 256 I CB 1.659 39.676 38.000 0.028 0.000 1.289 256 I HN -0.089 nan 8.210 nan 0.000 0.453 257 K N 6.165 126.615 120.400 0.083 0.000 2.328 257 K HA 0.582 4.902 4.320 -0.000 0.000 0.246 257 K C -0.746 175.920 176.600 0.110 0.000 0.955 257 K CA -0.782 55.553 56.287 0.079 0.000 0.817 257 K CB 2.908 35.447 32.500 0.065 0.000 1.208 257 K HN 0.546 nan 8.250 nan 0.000 0.432 258 L N 2.263 123.549 121.223 0.106 0.000 2.276 258 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 258 L C -0.720 176.268 176.870 0.197 0.000 1.061 258 L CA -0.634 54.288 54.840 0.137 0.000 0.807 258 L CB 0.419 42.539 42.059 0.102 0.000 1.177 258 L HN 0.742 nan 8.230 nan 0.000 0.429 259 Y N 3.773 124.112 120.300 0.066 0.000 2.335 259 Y HA 0.283 4.833 4.550 -0.000 0.000 0.331 259 Y C 0.823 176.740 175.900 0.028 0.000 1.094 259 Y CA -0.474 57.660 58.100 0.056 0.000 1.253 259 Y CB 1.354 39.864 38.460 0.083 0.000 1.203 259 Y HN 0.846 nan 8.280 nan 0.000 0.508 260 T N 1.009 115.969 114.554 0.677 0.000 3.058 260 T HA 0.259 4.608 4.350 -0.000 0.000 0.247 260 T C 1.133 175.935 174.700 0.171 0.000 0.987 260 T CA 0.289 62.529 62.100 0.234 0.000 1.062 260 T CB -0.927 68.027 68.868 0.143 0.000 1.048 260 T HN 0.872 nan 8.240 nan 0.000 0.468 261 G N 1.687 110.801 108.800 0.524 0.000 2.572 261 G HA2 0.171 4.131 3.960 -0.000 0.000 0.254 261 G HA3 0.171 4.131 3.960 -0.000 0.000 0.254 261 G C 0.960 175.876 174.900 0.027 0.000 0.688 261 G CA 0.519 45.840 45.100 0.368 0.000 1.025 261 G HN 0.732 nan 8.290 nan 0.000 0.313 262 E N 2.626 122.820 120.200 -0.011 0.000 2.077 262 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 262 E C 1.572 178.133 176.600 -0.064 0.000 0.989 262 E CA 0.976 57.346 56.400 -0.050 0.000 0.800 262 E CB -0.100 29.584 29.700 -0.026 0.000 0.746 262 E HN 0.723 nan 8.360 nan 0.000 0.452 263 I N 1.724 122.274 120.570 -0.033 0.000 2.618 263 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 263 I C -2.223 173.896 176.117 0.003 0.000 1.146 263 I CA -2.086 59.214 61.300 -0.000 0.000 1.425 263 I CB 1.524 39.543 38.000 0.031 0.000 1.383 263 I HN 0.126 nan 8.210 nan 0.000 0.562 264 P HA -0.022 nan 4.420 nan 0.000 0.266 264 P C 0.723 178.108 177.300 0.142 0.000 1.195 264 P CA -0.013 63.089 63.100 0.003 0.000 0.768 264 P CB 0.701 32.429 31.700 0.047 0.000 0.838 265 L N 2.924 124.209 121.223 0.104 0.000 1.934 265 L HA -0.279 4.061 4.340 -0.000 0.000 0.227 265 L C 1.944 179.122 176.870 0.513 0.000 1.084 265 L CA 1.887 57.025 54.840 0.496 0.000 0.790 265 L CB -0.669 41.644 42.059 0.423 0.000 0.896 265 L HN 0.244 nan 8.230 nan 0.000 0.437 266 F N -0.090 120.023 119.950 0.272 0.000 2.141 266 F HA -0.305 4.222 4.527 -0.000 0.000 0.300 266 F C 2.914 178.833 175.800 0.197 0.000 1.079 266 F CA 1.856 59.995 58.000 0.231 0.000 1.264 266 F CB -0.735 38.346 39.000 0.135 0.000 1.011 266 F HN 0.138 nan 8.300 nan 0.000 0.487 267 S N -2.160 113.755 115.700 0.358 0.000 2.522 267 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 267 S C 1.910 176.644 174.600 0.223 0.000 0.986 267 S CA 0.369 58.706 58.200 0.229 0.000 0.929 267 S CB -0.493 62.797 63.200 0.149 0.000 0.769 267 S HN 0.532 nan 8.310 nan 0.000 0.529 268 H N -0.941 118.207 119.070 0.130 0.000 2.344 268 H HA 0.036 4.592 4.556 -0.000 0.000 0.307 268 H C 1.063 176.326 175.328 -0.107 0.000 1.057 268 H CA 0.939 56.987 56.048 -0.001 0.000 1.373 268 H CB -0.192 29.547 29.762 -0.038 0.000 1.421 268 H HN 0.439 nan 8.280 nan 0.000 0.532 269 Y N 1.494 121.791 120.300 -0.004 0.000 2.736 269 Y HA -0.146 4.404 4.550 -0.000 0.000 0.298 269 Y C 0.680 176.542 175.900 -0.064 0.000 1.156 269 Y CA 0.461 58.489 58.100 -0.120 0.000 1.384 269 Y CB 0.017 38.428 38.460 -0.082 0.000 0.976 269 Y HN 0.321 nan 8.280 nan 0.000 0.556 270 Q N -0.285 119.565 119.800 0.083 0.000 2.468 270 Q HA -0.231 4.109 4.340 -0.000 0.000 0.289 270 Q C 0.399 176.462 176.000 0.105 0.000 1.299 270 Q CA 1.282 57.126 55.803 0.068 0.000 0.838 270 Q CB -2.030 26.714 28.738 0.010 0.000 1.195 270 Q HN 0.867 nan 8.270 nan 0.000 0.456 271 I N -4.302 116.368 120.570 0.166 0.000 4.050 271 I HA 0.261 4.431 4.170 -0.000 0.000 0.327 271 I C 1.335 177.567 176.117 0.193 0.000 1.473 271 I CA -0.229 61.172 61.300 0.169 0.000 1.124 271 I CB 0.550 38.663 38.000 0.188 0.000 1.129 271 I HN -0.137 nan 8.210 nan 0.000 0.428 272 E N 2.447 122.750 120.200 0.172 0.000 2.000 272 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 272 E C 2.392 179.038 176.600 0.078 0.000 1.011 272 E CA 2.798 59.270 56.400 0.121 0.000 0.836 272 E CB -0.405 29.347 29.700 0.087 0.000 0.778 272 E HN 0.623 nan 8.360 nan 0.000 0.462 273 S N 0.462 116.198 115.700 0.061 0.000 2.393 273 S HA -0.390 4.080 4.470 -0.000 0.000 0.234 273 S C 1.974 176.610 174.600 0.060 0.000 1.064 273 S CA 2.103 60.331 58.200 0.046 0.000 1.088 273 S CB -0.739 62.485 63.200 0.040 0.000 0.939 273 S HN 0.409 nan 8.310 nan 0.000 0.448 274 Q N 0.395 120.238 119.800 0.073 0.000 2.096 274 Q HA -0.130 4.209 4.340 -0.000 0.000 0.208 274 Q C 2.331 178.388 176.000 0.095 0.000 0.993 274 Q CA 1.710 57.559 55.803 0.077 0.000 0.862 274 Q CB -0.533 28.254 28.738 0.082 0.000 0.915 274 Q HN 0.538 nan 8.270 nan 0.000 0.416 275 I N 1.393 122.028 120.570 0.109 0.000 2.053 275 I HA -0.308 3.862 4.170 -0.000 0.000 0.236 275 I C 2.339 178.563 176.117 0.177 0.000 1.038 275 I CA 1.632 63.006 61.300 0.123 0.000 1.304 275 I CB -1.358 36.679 38.000 0.061 0.000 1.023 275 I HN 0.272 nan 8.210 nan 0.000 0.395 276 E N 0.637 120.906 120.200 0.115 0.000 2.007 276 E HA -0.291 4.059 4.350 -0.000 0.000 0.203 276 E C 2.065 178.787 176.600 0.203 0.000 1.020 276 E CA 1.809 58.294 56.400 0.142 0.000 0.845 276 E CB -0.946 28.764 29.700 0.018 0.000 0.779 276 E HN 0.495 nan 8.360 nan 0.000 0.466 277 S N 0.770 116.538 115.700 0.113 0.000 2.807 277 S HA -0.387 4.083 4.470 -0.000 0.000 0.360 277 S C 1.908 176.569 174.600 0.102 0.000 1.445 277 S CA 3.191 61.444 58.200 0.088 0.000 1.064 277 S CB -0.764 62.475 63.200 0.066 0.000 1.154 277 S HN 0.453 nan 8.310 nan 0.000 0.447 278 A N -0.810 122.096 122.820 0.143 0.000 2.021 278 A HA 0.391 4.711 4.320 -0.000 0.000 0.216 278 A C 1.787 179.364 177.584 -0.011 0.000 1.163 278 A CA 1.081 53.141 52.037 0.038 0.000 0.676 278 A CB -0.596 18.399 19.000 -0.008 0.000 0.818 278 A HN 0.652 nan 8.150 nan 0.000 0.453 279 F N 0.660 120.620 119.950 0.018 0.000 2.615 279 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 279 F C 1.060 176.879 175.800 0.032 0.000 1.124 279 F CA 0.198 58.229 58.000 0.051 0.000 1.451 279 F CB -0.229 38.815 39.000 0.073 0.000 1.103 279 F HN 0.293 nan 8.300 nan 0.000 0.569 280 Q N 0.179 120.090 119.800 0.185 0.000 2.354 280 Q HA 0.214 4.554 4.340 -0.000 0.000 0.244 280 Q C 1.368 177.390 176.000 0.036 0.000 0.969 280 Q CA -0.451 55.410 55.803 0.096 0.000 0.885 280 Q CB 0.979 29.759 28.738 0.070 0.000 1.241 280 Q HN 0.132 nan 8.270 nan 0.000 0.461 281 R N 0.851 121.362 120.500 0.019 0.000 2.127 281 R HA -0.002 4.338 4.340 -0.000 0.000 0.217 281 R C -0.159 176.134 176.300 -0.011 0.000 1.074 281 R CA 0.691 56.785 56.100 -0.010 0.000 0.991 281 R CB 0.468 30.761 30.300 -0.012 0.000 0.895 281 R HN 0.825 nan 8.270 nan 0.000 0.450 282 E N 0.042 120.242 120.200 0.001 0.000 2.222 282 E HA 0.368 4.718 4.350 -0.000 0.000 0.272 282 E C -1.580 175.023 176.600 0.004 0.000 0.982 282 E CA -0.807 55.593 56.400 -0.002 0.000 0.842 282 E CB 1.993 31.694 29.700 0.002 0.000 1.144 282 E HN -0.036 nan 8.360 nan 0.000 0.397 283 V N 3.568 123.482 119.914 0.001 0.000 2.697 283 V HA 0.349 4.469 4.120 -0.000 0.000 0.300 283 V C -0.492 175.605 176.094 0.005 0.000 1.115 283 V CA -1.088 61.215 62.300 0.006 0.000 0.912 283 V CB 1.462 33.286 31.823 0.002 0.000 1.024 283 V HN 0.663 nan 8.190 nan 0.000 0.431 284 R N 3.335 123.840 120.500 0.009 0.000 2.491 284 R HA 0.465 4.805 4.340 -0.000 0.000 0.283 284 R C -0.550 175.754 176.300 0.007 0.000 1.072 284 R CA -0.202 55.903 56.100 0.008 0.000 1.048 284 R CB 0.895 31.201 30.300 0.010 0.000 0.983 284 R HN 0.625 nan 8.270 nan 0.000 0.450 285 L N 6.001 127.228 121.223 0.006 0.000 2.326 285 L HA 0.187 4.527 4.340 -0.000 0.000 0.278 285 L C -1.160 175.713 176.870 0.005 0.000 1.092 285 L CA -1.893 52.950 54.840 0.005 0.000 0.810 285 L CB 0.975 43.038 42.059 0.007 0.000 1.153 285 L HN 0.267 nan 8.230 nan 0.000 0.439 286 P HA -0.289 nan 4.420 nan 0.000 0.214 286 P C 1.635 178.939 177.300 0.007 0.000 1.099 286 P CA 1.525 64.628 63.100 0.004 0.000 0.976 286 P CB 0.127 31.828 31.700 0.001 0.000 0.774 287 S N -2.045 113.659 115.700 0.005 0.000 2.414 287 S HA -0.192 4.278 4.470 -0.000 0.000 0.241 287 S C 1.627 176.234 174.600 0.012 0.000 1.079 287 S CA 2.165 60.370 58.200 0.009 0.000 1.087 287 S CB -1.116 62.089 63.200 0.008 0.000 0.927 287 S HN 0.593 nan 8.310 nan 0.000 0.456 288 G N -1.069 107.738 108.800 0.011 0.000 2.507 288 G HA2 0.079 4.039 3.960 -0.000 0.000 0.205 288 G HA3 0.079 4.039 3.960 -0.000 0.000 0.205 288 G C 0.224 175.131 174.900 0.013 0.000 0.996 288 G CA 0.049 45.156 45.100 0.012 0.000 0.776 288 G HN 0.796 nan 8.290 nan 0.000 0.532 289 G N 0.197 109.005 108.800 0.013 0.000 2.468 289 G HA2 0.642 4.601 3.960 -0.000 0.000 0.264 289 G HA3 0.642 4.601 3.960 -0.000 0.000 0.264 289 G C 0.194 175.100 174.900 0.011 0.000 1.460 289 G CA 0.730 45.839 45.100 0.015 0.000 1.060 289 G HN 1.420 nan 8.290 nan 0.000 0.543 290 S N -1.761 113.945 115.700 0.010 0.000 2.547 290 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 290 S C -1.013 173.585 174.600 -0.003 0.000 1.150 290 S CA -0.600 57.603 58.200 0.004 0.000 0.850 290 S CB 1.865 65.067 63.200 0.003 0.000 1.118 290 S HN 0.485 nan 8.310 nan 0.000 0.461 291 I N 2.293 122.857 120.570 -0.010 0.000 2.563 291 I HA 0.228 4.398 4.170 -0.000 0.000 0.276 291 I C -0.998 175.101 176.117 -0.030 0.000 1.074 291 I CA -0.623 60.662 61.300 -0.025 0.000 1.124 291 I CB 1.342 39.326 38.000 -0.026 0.000 1.225 291 I HN 0.446 nan 8.210 nan 0.000 0.482 292 V N 6.928 126.823 119.914 -0.033 0.000 2.415 292 V HA 0.193 4.313 4.120 -0.000 0.000 0.267 292 V C 0.635 176.701 176.094 -0.048 0.000 1.042 292 V CA -0.073 62.207 62.300 -0.033 0.000 1.000 292 V CB 0.519 32.325 31.823 -0.028 0.000 1.015 292 V HN 0.398 nan 8.190 nan 0.000 0.478 293 I N 3.409 123.949 120.570 -0.050 0.000 2.313 293 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 293 I C -0.279 175.799 176.117 -0.064 0.000 1.091 293 I CA -0.251 61.011 61.300 -0.063 0.000 1.216 293 I CB 0.356 38.315 38.000 -0.068 0.000 1.434 293 I HN 0.458 nan 8.210 nan 0.000 0.487 294 D N 3.802 124.165 120.400 -0.060 0.000 2.210 294 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 294 D C -0.231 176.032 176.300 -0.062 0.000 1.062 294 D CA 0.081 54.047 54.000 -0.057 0.000 0.891 294 D CB 2.336 43.109 40.800 -0.046 0.000 1.186 294 D HN 0.355 nan 8.370 nan 0.000 0.432 295 S N 0.831 116.492 115.700 -0.065 0.000 2.530 295 S HA 0.421 4.891 4.470 -0.000 0.000 0.322 295 S C 0.122 174.692 174.600 -0.050 0.000 1.085 295 S CA -0.685 57.476 58.200 -0.064 0.000 1.096 295 S CB 0.628 63.779 63.200 -0.082 0.000 0.988 295 S HN 0.510 nan 8.310 nan 0.000 0.466 296 T N 1.564 116.091 114.554 -0.044 0.000 2.888 296 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 296 T C 0.926 175.606 174.700 -0.032 0.000 1.013 296 T CA -0.199 61.881 62.100 -0.035 0.000 0.938 296 T CB 0.817 69.666 68.868 -0.032 0.000 1.298 296 T HN 0.627 nan 8.240 nan 0.000 0.580 297 E N -0.687 119.498 120.200 -0.026 0.000 2.385 297 E HA 0.285 4.635 4.350 -0.000 0.000 0.194 297 E C 1.758 178.343 176.600 -0.025 0.000 1.013 297 E CA 0.704 57.090 56.400 -0.023 0.000 0.866 297 E CB -0.507 29.183 29.700 -0.017 0.000 0.832 297 E HN 0.691 nan 8.360 nan 0.000 0.500 298 A N 0.222 123.027 122.820 -0.025 0.000 2.035 298 A HA 0.372 4.692 4.320 -0.000 0.000 0.208 298 A C -0.098 177.469 177.584 -0.027 0.000 1.206 298 A CA 0.487 52.510 52.037 -0.024 0.000 0.773 298 A CB 0.103 19.091 19.000 -0.020 0.000 0.878 298 A HN 0.272 nan 8.150 nan 0.000 0.469 299 L N -4.308 116.896 121.223 -0.031 0.000 2.700 299 L HA 0.476 4.816 4.340 -0.000 0.000 0.255 299 L C -0.722 176.123 176.870 -0.041 0.000 0.933 299 L CA -0.696 54.123 54.840 -0.034 0.000 0.920 299 L CB 0.166 42.208 42.059 -0.029 0.000 1.472 299 L HN -0.175 nan 8.230 nan 0.000 0.426 300 T N 1.755 116.281 114.554 -0.047 0.000 2.930 300 T HA 0.658 5.008 4.350 -0.000 0.000 0.306 300 T C 0.213 174.879 174.700 -0.057 0.000 1.045 300 T CA 0.769 62.835 62.100 -0.056 0.000 1.134 300 T CB 0.672 69.502 68.868 -0.062 0.000 0.961 300 T HN 1.059 nan 8.240 nan 0.000 0.545 301 A N 4.389 127.172 122.820 -0.061 0.000 2.605 301 A HA 0.589 4.908 4.320 -0.000 0.000 0.293 301 A C -0.301 177.237 177.584 -0.077 0.000 1.216 301 A CA -0.638 51.360 52.037 -0.064 0.000 0.742 301 A CB 0.301 19.270 19.000 -0.053 0.000 1.170 301 A HN 0.807 nan 8.150 nan 0.000 0.443 302 I N 1.789 122.300 120.570 -0.098 0.000 2.395 302 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 302 I C 0.118 176.155 176.117 -0.133 0.000 1.023 302 I CA 0.124 61.356 61.300 -0.114 0.000 1.350 302 I CB 1.411 39.328 38.000 -0.137 0.000 1.409 302 I HN 0.764 nan 8.210 nan 0.000 0.507 303 D N 6.053 126.391 120.400 -0.104 0.000 2.340 303 D HA 0.668 5.308 4.640 -0.000 0.000 0.240 303 D C -1.038 175.212 176.300 -0.083 0.000 1.001 303 D CA -0.400 53.542 54.000 -0.096 0.000 0.888 303 D CB 1.586 42.351 40.800 -0.058 0.000 1.310 303 D HN 0.301 nan 8.370 nan 0.000 0.474 304 I N 2.306 122.834 120.570 -0.070 0.000 2.740 304 I HA 0.510 4.680 4.170 -0.000 0.000 0.303 304 I C -0.585 175.535 176.117 0.005 0.000 1.044 304 I CA -0.499 60.781 61.300 -0.033 0.000 1.064 304 I CB 1.632 39.618 38.000 -0.023 0.000 1.249 304 I HN 0.655 nan 8.210 nan 0.000 0.433 305 N N 2.080 120.790 118.700 0.017 0.000 3.348 305 N HA 0.317 5.057 4.740 -0.000 0.000 0.233 305 N C -1.608 173.917 175.510 0.026 0.000 1.440 305 N CA -0.816 52.249 53.050 0.026 0.000 0.887 305 N CB 1.615 40.112 38.487 0.017 0.000 1.410 305 N HN 0.461 nan 8.380 nan 0.000 0.502 306 S N -0.564 115.153 115.700 0.030 0.000 2.766 306 S HA 0.799 5.269 4.470 -0.000 0.000 0.307 306 S C 0.756 175.371 174.600 0.025 0.000 1.121 306 S CA 0.169 58.388 58.200 0.031 0.000 0.980 306 S CB 1.540 64.764 63.200 0.040 0.000 1.159 306 S HN 0.811 nan 8.310 nan 0.000 0.546 307 A N 1.474 124.308 122.820 0.025 0.000 2.385 307 A HA 0.670 4.990 4.320 -0.000 0.000 0.197 307 A C 1.264 178.859 177.584 0.019 0.000 1.531 307 A CA 1.145 53.194 52.037 0.020 0.000 0.620 307 A CB -1.331 17.681 19.000 0.020 0.000 1.090 307 A HN 1.472 nan 8.150 nan 0.000 0.497 314 D N 1.307 121.729 120.400 0.035 0.000 2.269 314 D HA 0.503 5.143 4.640 -0.000 0.000 0.244 314 D C 1.325 177.654 176.300 0.047 0.000 0.992 314 D CA -0.838 53.185 54.000 0.038 0.000 0.894 314 D CB 2.117 42.943 40.800 0.043 0.000 1.248 314 D HN 0.139 nan 8.370 nan 0.000 0.468 315 I N 1.833 122.430 120.570 0.044 0.000 2.188 315 I HA -0.174 3.996 4.170 -0.000 0.000 0.237 315 I C 2.565 178.729 176.117 0.077 0.000 1.073 315 I CA 1.260 62.592 61.300 0.053 0.000 1.359 315 I CB -0.889 37.136 38.000 0.041 0.000 1.083 315 I HN 0.627 nan 8.210 nan 0.000 0.412 316 E N 1.411 121.653 120.200 0.070 0.000 2.086 316 E HA -0.362 3.988 4.350 -0.000 0.000 0.205 316 E C 1.884 178.597 176.600 0.188 0.000 1.027 316 E CA 2.189 58.647 56.400 0.098 0.000 0.830 316 E CB -1.020 28.707 29.700 0.044 0.000 0.751 316 E HN 0.638 nan 8.360 nan 0.000 0.456 317 E N -0.268 120.031 120.200 0.165 0.000 2.005 317 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 317 E C 2.384 179.096 176.600 0.187 0.000 1.010 317 E CA 2.151 58.677 56.400 0.210 0.000 0.825 317 E CB -0.884 28.900 29.700 0.141 0.000 0.769 317 E HN 0.415 nan 8.360 nan 0.000 0.456 318 T N -0.040 114.585 114.554 0.119 0.000 2.656 318 T HA -0.374 3.976 4.350 -0.000 0.000 0.262 318 T C 1.637 176.394 174.700 0.095 0.000 1.070 318 T CA 2.617 64.770 62.100 0.088 0.000 1.160 318 T CB -0.816 68.093 68.868 0.069 0.000 0.855 318 T HN 0.457 nan 8.240 nan 0.000 0.456 319 A N 0.391 123.287 122.820 0.126 0.000 1.832 319 A HA 0.057 4.376 4.320 -0.000 0.000 0.214 319 A C 1.994 179.666 177.584 0.147 0.000 1.200 319 A CA 1.778 53.894 52.037 0.132 0.000 0.610 319 A CB -1.172 17.916 19.000 0.146 0.000 0.842 319 A HN 0.517 nan 8.150 nan 0.000 0.444 320 F N 2.199 122.192 119.950 0.071 0.000 2.043 320 F HA -0.324 4.203 4.527 -0.000 0.000 0.297 320 F C 2.246 178.016 175.800 -0.051 0.000 1.118 320 F CA 2.495 60.499 58.000 0.006 0.000 1.202 320 F CB -0.428 38.539 39.000 -0.055 0.000 0.965 320 F HN 0.428 nan 8.300 nan 0.000 0.482 321 N N -0.314 118.327 118.700 -0.097 0.000 2.069 321 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 321 N C 1.791 177.199 175.510 -0.169 0.000 1.031 321 N CA 2.438 55.370 53.050 -0.196 0.000 0.852 321 N CB -0.855 37.629 38.487 -0.005 0.000 1.018 321 N HN 0.403 nan 8.380 nan 0.000 0.423 322 T N 1.344 115.860 114.554 -0.062 0.000 2.833 322 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 322 T C 1.581 176.268 174.700 -0.021 0.000 1.054 322 T CA 0.714 62.799 62.100 -0.025 0.000 1.135 322 T CB -0.233 68.647 68.868 0.019 0.000 0.869 322 T HN 0.314 nan 8.240 nan 0.000 0.466 323 N N 1.235 119.907 118.700 -0.046 0.000 2.149 323 N HA -0.012 4.728 4.740 -0.000 0.000 0.188 323 N C 1.832 177.268 175.510 -0.123 0.000 1.019 323 N CA 0.931 53.968 53.050 -0.021 0.000 0.857 323 N CB -0.412 38.005 38.487 -0.118 0.000 0.997 323 N HN 0.394 nan 8.380 nan 0.000 0.426 324 L N 1.395 122.446 121.223 -0.286 0.000 2.046 324 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 324 L C 2.200 179.001 176.870 -0.114 0.000 1.077 324 L CA 1.087 55.767 54.840 -0.267 0.000 0.747 324 L CB -0.408 41.426 42.059 -0.375 0.000 0.896 324 L HN 0.180 nan 8.230 nan 0.000 0.432 325 E N 0.704 120.856 120.200 -0.081 0.000 2.017 325 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 325 E C 2.373 178.978 176.600 0.008 0.000 0.997 325 E CA 1.195 57.575 56.400 -0.032 0.000 0.804 325 E CB -0.338 29.348 29.700 -0.024 0.000 0.757 325 E HN 0.468 nan 8.360 nan 0.000 0.448 326 A N 2.156 125.001 122.820 0.042 0.000 1.954 326 A HA -0.309 4.011 4.320 -0.000 0.000 0.222 326 A C 2.474 180.135 177.584 0.129 0.000 1.199 326 A CA 2.564 54.655 52.037 0.090 0.000 0.657 326 A CB -0.984 18.111 19.000 0.158 0.000 0.823 326 A HN 0.342 nan 8.150 nan 0.000 0.463 327 A N -0.278 122.638 122.820 0.161 0.000 1.834 327 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 327 A C 1.842 179.467 177.584 0.068 0.000 1.203 327 A CA 2.036 54.164 52.037 0.152 0.000 0.621 327 A CB -0.961 18.065 19.000 0.043 0.000 0.841 327 A HN 0.501 nan 8.150 nan 0.000 0.446 328 D N -0.733 119.679 120.400 0.020 0.000 2.177 328 D HA -0.232 4.408 4.640 -0.000 0.000 0.189 328 D C 1.880 178.182 176.300 0.003 0.000 1.002 328 D CA 2.051 56.051 54.000 0.000 0.000 0.845 328 D CB -0.542 40.245 40.800 -0.022 0.000 0.960 328 D HN 0.586 nan 8.370 nan 0.000 0.447 329 E N 0.402 120.604 120.200 0.003 0.000 2.058 329 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 329 E C 2.278 178.878 176.600 0.000 0.000 0.997 329 E CA 0.727 57.126 56.400 -0.001 0.000 0.801 329 E CB -0.525 29.174 29.700 -0.001 0.000 0.746 329 E HN 0.313 nan 8.360 nan 0.000 0.450 330 I N 0.489 121.064 120.570 0.008 0.000 2.145 330 I HA -0.374 3.796 4.170 -0.000 0.000 0.244 330 I C 2.334 178.451 176.117 -0.000 0.000 1.075 330 I CA 1.441 62.738 61.300 -0.005 0.000 1.332 330 I CB -0.418 37.579 38.000 -0.005 0.000 1.033 330 I HN 0.260 nan 8.210 nan 0.000 0.410 331 A N 0.634 123.464 122.820 0.016 0.000 1.892 331 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 331 A C 2.358 179.947 177.584 0.008 0.000 1.188 331 A CA 2.413 54.460 52.037 0.017 0.000 0.631 331 A CB -0.724 18.292 19.000 0.027 0.000 0.822 331 A HN 0.458 nan 8.150 nan 0.000 0.447 332 R N -0.819 119.684 120.500 0.005 0.000 2.075 332 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 332 R C 2.257 178.550 176.300 -0.011 0.000 1.126 332 R CA 1.704 57.808 56.100 0.006 0.000 0.963 332 R CB -0.343 29.960 30.300 0.006 0.000 0.858 332 R HN 0.540 nan 8.270 nan 0.000 0.435 333 Q N 0.827 120.616 119.800 -0.018 0.000 2.020 333 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 333 Q C 2.328 178.300 176.000 -0.046 0.000 0.982 333 Q CA 1.555 57.336 55.803 -0.036 0.000 0.838 333 Q CB -0.409 28.306 28.738 -0.038 0.000 0.899 333 Q HN 0.430 nan 8.270 nan 0.000 0.423 334 L N 0.343 121.544 121.223 -0.037 0.000 2.113 334 L HA -0.308 4.032 4.340 -0.000 0.000 0.221 334 L C 2.717 179.563 176.870 -0.040 0.000 1.084 334 L CA 1.759 56.577 54.840 -0.037 0.000 0.787 334 L CB -0.471 41.575 42.059 -0.021 0.000 0.893 334 L HN 0.286 nan 8.230 nan 0.000 0.440 335 R N -0.532 119.948 120.500 -0.033 0.000 2.062 335 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 335 R C 2.329 178.587 176.300 -0.070 0.000 1.125 335 R CA 0.866 56.942 56.100 -0.041 0.000 0.966 335 R CB -0.152 30.129 30.300 -0.032 0.000 0.861 335 R HN 0.319 nan 8.270 nan 0.000 0.433 336 L N 0.188 121.369 121.223 -0.070 0.000 2.046 336 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 336 L C 2.198 178.998 176.870 -0.116 0.000 1.077 336 L CA 1.451 56.240 54.840 -0.085 0.000 0.747 336 L CB -0.239 41.784 42.059 -0.060 0.000 0.896 336 L HN 0.121 nan 8.230 nan 0.000 0.432 337 R N -0.526 119.903 120.500 -0.119 0.000 2.313 337 R HA -0.047 4.293 4.340 -0.000 0.000 0.199 337 R C 0.082 176.311 176.300 -0.119 0.000 0.958 337 R CA 0.121 56.131 56.100 -0.150 0.000 1.047 337 R CB -0.167 30.044 30.300 -0.148 0.000 0.955 337 R HN 0.224 nan 8.270 nan 0.000 0.481 338 D N 0.893 121.238 120.400 -0.091 0.000 2.882 338 D HA -0.201 4.439 4.640 -0.000 0.000 0.229 338 D C -0.565 175.695 176.300 -0.066 0.000 1.167 338 D CA 0.829 54.787 54.000 -0.069 0.000 0.759 338 D CB -0.628 40.130 40.800 -0.070 0.000 1.088 338 D HN 0.302 nan 8.370 nan 0.000 0.425 339 L N 0.515 121.695 121.223 -0.072 0.000 2.660 339 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 339 L C 1.572 178.412 176.870 -0.050 0.000 1.194 339 L CA 0.864 55.665 54.840 -0.066 0.000 0.945 339 L CB 0.341 42.361 42.059 -0.066 0.000 1.212 339 L HN 0.055 nan 8.230 nan 0.000 0.490 340 G N 1.618 110.390 108.800 -0.048 0.000 2.735 340 G HA2 0.742 4.702 3.960 -0.000 0.000 0.301 340 G HA3 0.742 4.702 3.960 -0.000 0.000 0.301 340 G C -0.048 174.827 174.900 -0.041 0.000 1.279 340 G CA 0.038 45.114 45.100 -0.040 0.000 1.019 340 G HN 0.961 nan 8.290 nan 0.000 0.497 341 G N -1.553 107.224 108.800 -0.038 0.000 2.482 341 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 341 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 341 G C -0.060 174.820 174.900 -0.034 0.000 1.271 341 G CA -0.278 44.799 45.100 -0.038 0.000 0.944 341 G HN 0.940 nan 8.290 nan 0.000 0.568 342 L N -0.035 121.169 121.223 -0.032 0.000 2.456 342 L HA 0.761 5.101 4.340 -0.000 0.000 0.257 342 L C 0.468 177.319 176.870 -0.033 0.000 1.162 342 L CA -0.443 54.380 54.840 -0.028 0.000 0.808 342 L CB 0.806 42.850 42.059 -0.024 0.000 1.136 342 L HN 0.536 nan 8.230 nan 0.000 0.466 343 I N 0.553 121.105 120.570 -0.031 0.000 2.644 343 I HA 0.305 4.474 4.170 -0.000 0.000 0.291 343 I C -0.984 175.110 176.117 -0.038 0.000 1.180 343 I CA -0.412 60.864 61.300 -0.040 0.000 1.040 343 I CB 2.523 40.497 38.000 -0.043 0.000 1.255 343 I HN 0.123 nan 8.210 nan 0.000 0.422 344 V N 6.776 126.661 119.914 -0.048 0.000 2.417 344 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 344 V C -0.150 175.888 176.094 -0.094 0.000 1.024 344 V CA -0.479 61.793 62.300 -0.047 0.000 0.861 344 V CB 1.851 33.657 31.823 -0.028 0.000 0.985 344 V HN 0.444 nan 8.190 nan 0.000 0.436 345 I N 3.621 124.110 120.570 -0.135 0.000 2.339 345 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 345 I C -0.170 175.773 176.117 -0.290 0.000 0.994 345 I CA -0.242 60.876 61.300 -0.304 0.000 1.191 345 I CB 1.565 39.261 38.000 -0.507 0.000 1.343 345 I HN 0.619 nan 8.210 nan 0.000 0.458 346 D N 7.392 127.644 120.400 -0.246 0.000 2.563 346 D HA 0.187 4.827 4.640 -0.000 0.000 0.222 346 D C -0.329 175.897 176.300 -0.123 0.000 1.145 346 D CA -0.284 53.642 54.000 -0.123 0.000 1.001 346 D CB 0.012 40.778 40.800 -0.057 0.000 1.049 346 D HN 0.023 nan 8.370 nan 0.000 0.515 347 F N 2.558 122.527 119.950 0.031 0.000 2.545 347 F HA 0.032 4.559 4.527 -0.000 0.000 0.348 347 F C 1.677 177.499 175.800 0.038 0.000 1.163 347 F CA -0.486 57.531 58.000 0.029 0.000 1.331 347 F CB 0.212 39.232 39.000 0.034 0.000 1.138 347 F HN 0.194 nan 8.300 nan 0.000 0.602 348 I N 1.187 121.906 120.570 0.248 0.000 2.973 348 I HA -0.241 3.929 4.170 -0.000 0.000 0.174 348 I C 0.186 176.398 176.117 0.158 0.000 1.427 348 I CA 0.741 62.134 61.300 0.155 0.000 0.743 348 I CB -0.217 37.864 38.000 0.135 0.000 1.794 348 I HN 0.497 nan 8.210 nan 0.000 1.075 349 D N 0.775 121.249 120.400 0.123 0.000 2.375 349 D HA 0.393 5.032 4.640 -0.000 0.000 0.259 349 D C -0.675 175.685 176.300 0.100 0.000 1.235 349 D CA -0.197 53.869 54.000 0.110 0.000 0.924 349 D CB 0.564 41.416 40.800 0.087 0.000 1.143 349 D HN 0.168 nan 8.370 nan 0.000 0.529 350 M N -0.035 119.635 119.600 0.116 0.000 2.409 350 M HA 0.352 4.832 4.480 -0.000 0.000 0.329 350 M C 1.576 177.896 176.300 0.033 0.000 1.180 350 M CA -0.724 54.639 55.300 0.105 0.000 1.053 350 M CB 1.408 34.137 32.600 0.215 0.000 1.586 350 M HN 0.181 nan 8.290 nan 0.000 0.461 351 T N -2.072 112.463 114.554 -0.032 0.000 2.901 351 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 351 T C -1.325 173.308 174.700 -0.112 0.000 1.035 351 T CA -0.037 62.027 62.100 -0.061 0.000 1.142 351 T CB -1.345 67.487 68.868 -0.060 0.000 0.869 351 T HN 0.639 nan 8.240 nan 0.000 0.442 352 P HA 0.251 nan 4.420 nan 0.000 0.271 352 P C 1.358 178.557 177.300 -0.169 0.000 1.233 352 P CA -0.053 62.886 63.100 -0.269 0.000 0.764 352 P CB 1.555 32.916 31.700 -0.566 0.000 0.825 353 V N 4.699 124.559 119.914 -0.090 0.000 2.324 353 V HA -0.339 3.780 4.120 -0.000 0.000 0.250 353 V C 2.644 178.740 176.094 0.003 0.000 1.060 353 V CA 2.236 64.513 62.300 -0.039 0.000 1.042 353 V CB -1.670 30.124 31.823 -0.048 0.000 0.650 353 V HN 0.576 nan 8.190 nan 0.000 0.450 354 R N 0.154 120.653 120.500 -0.001 0.000 2.133 354 R HA -0.271 4.069 4.340 -0.000 0.000 0.247 354 R C 2.114 178.515 176.300 0.168 0.000 1.151 354 R CA 2.347 58.482 56.100 0.059 0.000 0.971 354 R CB -1.073 29.256 30.300 0.049 0.000 0.866 354 R HN 0.521 nan 8.270 nan 0.000 0.447 355 H N 0.825 119.868 119.070 -0.045 0.000 2.389 355 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 355 H C 2.152 177.564 175.328 0.139 0.000 1.081 355 H CA 1.558 57.666 56.048 0.099 0.000 1.345 355 H CB -0.216 29.598 29.762 0.087 0.000 1.393 355 H HN 0.392 nan 8.280 nan 0.000 0.520 356 Q N -0.121 119.787 119.800 0.180 0.000 2.020 356 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 356 Q C 2.252 178.275 176.000 0.039 0.000 0.982 356 Q CA 0.969 56.816 55.803 0.074 0.000 0.838 356 Q CB 0.157 28.919 28.738 0.040 0.000 0.899 356 Q HN 0.135 nan 8.270 nan 0.000 0.423 357 R N 0.318 120.842 120.500 0.041 0.000 2.152 357 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 357 R C 2.007 178.332 176.300 0.043 0.000 1.117 357 R CA 1.126 57.242 56.100 0.028 0.000 0.981 357 R CB -0.986 29.317 30.300 0.005 0.000 0.870 357 R HN 0.314 nan 8.270 nan 0.000 0.451 358 A N 0.370 123.241 122.820 0.085 0.000 1.851 358 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 358 A C 2.420 180.007 177.584 0.005 0.000 1.195 358 A CA 1.977 54.077 52.037 0.105 0.000 0.622 358 A CB -0.799 18.382 19.000 0.301 0.000 0.831 358 A HN 0.099 nan 8.150 nan 0.000 0.444 359 V N 0.176 120.048 119.914 -0.070 0.000 2.358 359 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 359 V C 2.394 178.363 176.094 -0.209 0.000 1.047 359 V CA 2.261 64.404 62.300 -0.262 0.000 1.035 359 V CB -1.029 30.488 31.823 -0.510 0.000 0.658 359 V HN 0.647 nan 8.190 nan 0.000 0.452 360 E N 0.419 120.544 120.200 -0.126 0.000 2.033 360 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 360 E C 2.159 178.757 176.600 -0.004 0.000 1.011 360 E CA 1.680 58.062 56.400 -0.031 0.000 0.815 360 E CB -0.318 29.418 29.700 0.060 0.000 0.755 360 E HN 0.586 nan 8.360 nan 0.000 0.451 361 N N 0.682 119.385 118.700 0.006 0.000 2.025 361 N HA -0.198 4.542 4.740 -0.000 0.000 0.194 361 N C 1.798 177.306 175.510 -0.003 0.000 1.044 361 N CA 1.073 54.131 53.050 0.013 0.000 0.851 361 N CB -0.450 38.049 38.487 0.019 0.000 1.036 361 N HN 0.003 nan 8.380 nan 0.000 0.422 362 R N 1.605 122.088 120.500 -0.029 0.000 2.191 362 R HA -0.186 4.154 4.340 -0.000 0.000 0.248 362 R C 2.107 178.397 176.300 -0.017 0.000 1.127 362 R CA 1.415 57.489 56.100 -0.043 0.000 0.943 362 R CB -1.303 28.933 30.300 -0.107 0.000 0.891 362 R HN 0.291 nan 8.270 nan 0.000 0.439 363 L N 1.023 122.241 121.223 -0.009 0.000 1.944 363 L HA -0.205 4.135 4.340 -0.000 0.000 0.218 363 L C 2.387 179.279 176.870 0.036 0.000 1.075 363 L CA 2.185 57.051 54.840 0.044 0.000 0.767 363 L CB -0.861 41.257 42.059 0.099 0.000 0.890 363 L HN 0.241 nan 8.230 nan 0.000 0.434 364 R N -0.644 119.875 120.500 0.031 0.000 2.134 364 R HA -0.231 4.109 4.340 -0.000 0.000 0.248 364 R C 2.229 178.544 176.300 0.024 0.000 1.143 364 R CA 1.912 58.028 56.100 0.027 0.000 0.957 364 R CB -0.973 29.341 30.300 0.023 0.000 0.867 364 R HN 0.489 nan 8.270 nan 0.000 0.441 365 E N -0.270 119.942 120.200 0.020 0.000 2.427 365 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 365 E C 1.595 178.209 176.600 0.025 0.000 1.028 365 E CA 0.679 57.092 56.400 0.021 0.000 0.864 365 E CB 0.203 29.912 29.700 0.016 0.000 0.813 365 E HN 0.541 nan 8.360 nan 0.000 0.514 366 A N -0.338 122.497 122.820 0.025 0.000 2.095 366 A HA 0.185 4.505 4.320 -0.000 0.000 0.212 366 A C 1.994 179.600 177.584 0.036 0.000 1.162 366 A CA 0.758 52.812 52.037 0.028 0.000 0.753 366 A CB 0.183 19.195 19.000 0.020 0.000 0.840 366 A HN 0.470 nan 8.150 nan 0.000 0.468 367 V N -0.516 119.420 119.914 0.037 0.000 3.331 367 V HA 0.093 4.213 4.120 -0.000 0.000 0.332 367 V C 1.765 177.884 176.094 0.042 0.000 1.341 367 V CA 0.933 63.257 62.300 0.040 0.000 1.218 367 V CB -0.812 31.031 31.823 0.034 0.000 1.152 367 V HN 0.416 nan 8.190 nan 0.000 0.445 368 R N 0.490 121.015 120.500 0.042 0.000 2.091 368 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 368 R C 2.277 178.609 176.300 0.053 0.000 1.136 368 R CA 2.626 58.751 56.100 0.041 0.000 0.959 368 R CB -0.752 29.572 30.300 0.039 0.000 0.856 368 R HN 0.995 nan 8.270 nan 0.000 0.437 369 Q N 0.075 119.919 119.800 0.073 0.000 1.942 369 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 369 Q C 0.627 176.684 176.000 0.094 0.000 0.987 369 Q CA 0.978 56.842 55.803 0.102 0.000 0.844 369 Q CB -0.738 28.093 28.738 0.154 0.000 0.911 369 Q HN 0.298 nan 8.270 nan 0.000 0.423 370 D N 1.038 121.491 120.400 0.090 0.000 7.011 370 D HA -0.193 4.447 4.640 -0.000 0.000 0.125 370 D C 0.608 176.952 176.300 0.074 0.000 1.093 370 D CA 0.442 54.488 54.000 0.076 0.000 0.765 370 D CB 0.342 41.171 40.800 0.048 0.000 1.507 370 D HN 0.313 nan 8.370 nan 0.000 0.865 371 R N 1.919 122.482 120.500 0.106 0.000 2.152 371 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 371 R C 0.839 177.155 176.300 0.027 0.000 1.117 371 R CA 0.888 57.025 56.100 0.063 0.000 0.981 371 R CB 0.057 30.408 30.300 0.085 0.000 0.870 371 R HN 0.428 nan 8.270 nan 0.000 0.451 372 A N 1.018 123.860 122.820 0.038 0.000 2.332 372 A HA 0.499 4.819 4.320 -0.000 0.000 0.258 372 A C 0.338 177.925 177.584 0.005 0.000 1.087 372 A CA -0.172 51.874 52.037 0.015 0.000 0.802 372 A CB 0.242 19.251 19.000 0.015 0.000 1.042 372 A HN 0.437 nan 8.150 nan 0.000 0.489 373 R N 0.515 121.011 120.500 -0.006 0.000 2.643 373 R HA 0.577 4.917 4.340 -0.000 0.000 0.270 373 R C -0.359 175.936 176.300 -0.007 0.000 1.061 373 R CA 0.343 56.437 56.100 -0.009 0.000 1.107 373 R CB -0.212 30.078 30.300 -0.018 0.000 0.999 373 R HN 0.708 nan 8.270 nan 0.000 0.460 374 I N 1.525 122.092 120.570 -0.006 0.000 2.607 374 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 374 I C -0.657 175.455 176.117 -0.009 0.000 1.129 374 I CA -0.682 60.615 61.300 -0.005 0.000 1.042 374 I CB 2.453 40.456 38.000 0.005 0.000 1.242 374 I HN 0.732 nan 8.210 nan 0.000 0.421 375 Q N 5.575 125.367 119.800 -0.013 0.000 2.375 375 Q HA 0.662 5.002 4.340 -0.000 0.000 0.271 375 Q C -1.240 174.749 176.000 -0.019 0.000 1.074 375 Q CA -0.631 55.160 55.803 -0.020 0.000 0.808 375 Q CB 3.452 32.174 28.738 -0.027 0.000 1.327 375 Q HN 0.487 nan 8.270 nan 0.000 0.441 376 I N 2.811 123.363 120.570 -0.030 0.000 2.560 376 I HA 0.159 4.329 4.170 -0.000 0.000 0.278 376 I C -0.164 175.915 176.117 -0.063 0.000 1.089 376 I CA -0.340 60.948 61.300 -0.020 0.000 1.086 376 I CB 1.530 39.531 38.000 0.002 0.000 1.202 376 I HN 0.645 nan 8.210 nan 0.000 0.471 377 S N 5.015 120.679 115.700 -0.060 0.000 2.600 377 S HA 0.327 4.797 4.470 -0.000 0.000 0.265 377 S C 0.471 175.029 174.600 -0.070 0.000 1.325 377 S CA -0.365 57.760 58.200 -0.124 0.000 1.002 377 S CB 0.727 63.890 63.200 -0.062 0.000 0.921 377 S HN 0.464 nan 8.310 nan 0.000 0.554 378 H N 0.426 119.512 119.070 0.026 0.000 3.045 378 H HA 0.089 4.645 4.556 -0.000 0.000 0.372 378 H C 0.370 175.723 175.328 0.041 0.000 1.298 378 H CA 0.269 56.333 56.048 0.026 0.000 1.416 378 H CB -0.014 29.754 29.762 0.010 0.000 1.369 378 H HN 0.557 nan 8.280 nan 0.000 0.604 379 I N 1.149 121.836 120.570 0.195 0.000 2.519 379 I HA -0.001 4.169 4.170 -0.000 0.000 0.287 379 I C 1.122 177.294 176.117 0.092 0.000 1.047 379 I CA -0.260 61.126 61.300 0.144 0.000 1.381 379 I CB 0.930 39.009 38.000 0.132 0.000 1.417 379 I HN 0.561 nan 8.210 nan 0.000 0.540 380 S N 6.198 121.940 115.700 0.070 0.000 2.641 380 S HA 0.165 4.635 4.470 -0.000 0.000 0.261 380 S C 1.195 175.742 174.600 -0.087 0.000 1.257 380 S CA -0.586 57.605 58.200 -0.014 0.000 0.983 380 S CB 0.803 64.002 63.200 -0.001 0.000 0.990 380 S HN 0.811 nan 8.310 nan 0.000 0.572 381 R N -0.366 119.975 120.500 -0.265 0.000 2.280 381 R HA 0.054 4.394 4.340 -0.000 0.000 0.207 381 R C 0.656 176.782 176.300 -0.290 0.000 1.043 381 R CA 1.004 56.919 56.100 -0.308 0.000 1.006 381 R CB -0.668 29.413 30.300 -0.365 0.000 0.885 381 R HN 0.696 nan 8.270 nan 0.000 0.467 382 F N 1.017 120.988 119.950 0.035 0.000 2.692 382 F HA 0.362 4.889 4.527 -0.000 0.000 0.303 382 F C 1.298 177.124 175.800 0.044 0.000 1.114 382 F CA 0.118 58.138 58.000 0.032 0.000 1.361 382 F CB 0.684 39.699 39.000 0.024 0.000 1.063 382 F HN 0.253 nan 8.300 nan 0.000 0.550 383 G N 1.589 110.479 108.800 0.150 0.000 2.198 383 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 383 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 383 G C -0.047 174.954 174.900 0.168 0.000 1.025 383 G CA -0.197 44.992 45.100 0.149 0.000 0.769 383 G HN 0.319 nan 8.290 nan 0.000 0.507 384 L N -0.491 120.830 121.223 0.164 0.000 2.325 384 L HA 0.731 5.070 4.340 -0.000 0.000 0.279 384 L C 0.439 177.389 176.870 0.134 0.000 1.054 384 L CA -1.026 53.892 54.840 0.129 0.000 0.804 384 L CB 1.781 43.918 42.059 0.129 0.000 1.200 384 L HN 0.226 nan 8.230 nan 0.000 0.436 385 L N 3.285 124.585 121.223 0.128 0.000 2.319 385 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 385 L C -0.114 176.801 176.870 0.074 0.000 1.005 385 L CA -0.202 54.725 54.840 0.145 0.000 0.828 385 L CB 1.183 43.415 42.059 0.288 0.000 1.227 385 L HN 0.616 nan 8.230 nan 0.000 0.415 386 E N 5.332 125.565 120.200 0.056 0.000 2.280 386 E HA 0.584 4.934 4.350 -0.000 0.000 0.261 386 E C -0.764 175.847 176.600 0.019 0.000 1.088 386 E CA -1.036 55.380 56.400 0.025 0.000 0.915 386 E CB 2.138 31.850 29.700 0.021 0.000 1.141 386 E HN 0.662 nan 8.360 nan 0.000 0.433 387 M N 1.727 121.329 119.600 0.003 0.000 2.482 387 M HA 0.096 4.576 4.480 -0.000 0.000 0.196 387 M C -1.834 174.460 176.300 -0.010 0.000 0.921 387 M CA -0.211 55.089 55.300 0.000 0.000 0.774 387 M CB 1.591 34.198 32.600 0.011 0.000 2.510 387 M HN 0.764 nan 8.290 nan 0.000 0.414 388 S N 4.801 120.492 115.700 -0.014 0.000 2.654 388 S HA 0.943 5.413 4.470 -0.000 0.000 0.283 388 S C -0.535 174.054 174.600 -0.018 0.000 1.180 388 S CA -0.682 57.506 58.200 -0.019 0.000 1.021 388 S CB 2.381 65.568 63.200 -0.022 0.000 1.018 388 S HN 0.911 nan 8.310 nan 0.000 0.532 389 R N 0.927 121.414 120.500 -0.021 0.000 2.664 389 R HA 0.244 4.584 4.340 -0.000 0.000 0.260 389 R C -1.579 174.708 176.300 -0.022 0.000 1.062 389 R CA -0.576 55.513 56.100 -0.019 0.000 0.902 389 R CB 1.194 31.485 30.300 -0.015 0.000 1.258 389 R HN 0.962 nan 8.270 nan 0.000 0.465 390 Q N 3.468 123.257 119.800 -0.019 0.000 2.259 390 Q HA 0.297 4.636 4.340 -0.000 0.000 0.246 390 Q C -0.838 175.149 176.000 -0.021 0.000 0.920 390 Q CA -0.590 55.199 55.803 -0.022 0.000 0.895 390 Q CB 1.444 30.170 28.738 -0.020 0.000 1.220 390 Q HN 0.528 nan 8.270 nan 0.000 0.439 391 R N 3.920 124.404 120.500 -0.026 0.000 2.870 391 R HA 0.188 4.528 4.340 -0.000 0.000 0.254 391 R C 0.551 176.841 176.300 -0.018 0.000 1.392 391 R CA -0.086 55.998 56.100 -0.026 0.000 1.322 391 R CB 0.073 30.352 30.300 -0.035 0.000 1.205 391 R HN 0.828 nan 8.270 nan 0.000 0.597 392 L N 0.601 121.819 121.223 -0.008 0.000 2.313 392 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 392 L C 0.713 177.588 176.870 0.008 0.000 1.119 392 L CA 1.038 55.881 54.840 0.006 0.000 0.809 392 L CB -0.138 41.938 42.059 0.028 0.000 0.933 392 L HN 0.572 nan 8.230 nan 0.000 0.449 393 S N -2.558 113.140 115.700 -0.003 0.000 2.669 393 S HA 0.442 4.912 4.470 -0.000 0.000 0.266 393 S C -2.924 171.667 174.600 -0.015 0.000 1.149 393 S CA -1.115 57.082 58.200 -0.004 0.000 0.842 393 S CB 0.988 64.188 63.200 0.000 0.000 1.160 393 S HN -0.239 nan 8.310 nan 0.000 0.487 394 P HA 0.357 nan 4.420 nan 0.000 0.272 394 P C -0.255 177.026 177.300 -0.031 0.000 1.223 394 P CA -0.247 62.842 63.100 -0.018 0.000 0.784 394 P CB 0.603 32.299 31.700 -0.008 0.000 0.923 395 S N 1.607 117.283 115.700 -0.040 0.000 2.669 395 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 395 S C 1.017 175.576 174.600 -0.069 0.000 1.225 395 S CA -0.496 57.666 58.200 -0.063 0.000 0.991 395 S CB 0.229 63.386 63.200 -0.072 0.000 0.987 395 S HN 0.329 nan 8.310 nan 0.000 0.552 396 L N 2.345 123.498 121.223 -0.116 0.000 2.056 396 L HA 0.206 4.546 4.340 -0.000 0.000 0.207 396 L C 2.376 179.223 176.870 -0.038 0.000 1.078 396 L CA 2.413 57.169 54.840 -0.140 0.000 0.749 396 L CB -1.418 40.446 42.059 -0.326 0.000 0.901 396 L HN 0.980 nan 8.230 nan 0.000 0.433 397 G N -1.330 107.399 108.800 -0.120 0.000 2.432 397 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 397 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 397 G C 1.339 176.270 174.900 0.052 0.000 1.135 397 G CA 0.893 45.908 45.100 -0.142 0.000 0.767 397 G HN 0.539 nan 8.290 nan 0.000 0.550 398 E N -0.017 120.189 120.200 0.011 0.000 2.479 398 E HA 0.304 4.654 4.350 -0.000 0.000 0.193 398 E C 1.817 178.442 176.600 0.040 0.000 1.049 398 E CA 1.140 57.550 56.400 0.016 0.000 0.870 398 E CB -0.311 29.382 29.700 -0.011 0.000 0.944 398 E HN 0.719 nan 8.360 nan 0.000 0.492 399 S N -2.452 113.282 115.700 0.057 0.000 2.993 399 S HA 0.345 4.815 4.470 -0.000 0.000 0.257 399 S C 0.588 175.214 174.600 0.044 0.000 0.997 399 S CA 0.507 58.731 58.200 0.041 0.000 1.191 399 S CB 0.241 63.451 63.200 0.017 0.000 1.143 399 S HN 0.197 nan 8.310 nan 0.000 0.655 400 S N 0.340 116.088 115.700 0.080 0.000 3.004 400 S HA 0.366 4.836 4.470 -0.000 0.000 0.244 400 S C -0.774 173.605 174.600 -0.368 0.000 0.870 400 S CA -0.459 57.712 58.200 -0.049 0.000 1.267 400 S CB 0.222 63.439 63.200 0.029 0.000 1.208 400 S HN 0.676 nan 8.310 nan 0.000 0.624 401 H N 0.654 119.683 119.070 -0.068 0.000 3.220 401 H HA 0.740 5.296 4.556 -0.000 0.000 0.299 401 H C 0.255 175.493 175.328 -0.151 0.000 1.604 401 H CA -0.703 55.242 56.048 -0.172 0.000 1.260 401 H CB 0.899 30.605 29.762 -0.092 0.000 1.846 401 H HN 0.345 nan 8.280 nan 0.000 0.632 402 H N -2.675 116.498 119.070 0.172 0.000 3.365 402 H HA 0.494 5.050 4.556 -0.000 0.000 0.287 402 H C -1.464 173.913 175.328 0.083 0.000 1.597 402 H CA -0.996 55.108 56.048 0.094 0.000 1.192 402 H CB 0.543 30.338 29.762 0.054 0.000 1.829 402 H HN 0.265 nan 8.280 nan 0.000 0.739 403 V N 1.750 121.851 119.914 0.311 0.000 2.257 403 V HA 0.121 4.241 4.120 -0.000 0.000 0.269 403 V C 1.010 177.186 176.094 0.137 0.000 1.040 403 V CA -0.778 61.622 62.300 0.167 0.000 0.813 403 V CB -0.321 31.558 31.823 0.092 0.000 1.065 403 V HN 0.940 nan 8.190 nan 0.000 0.457 404 C N 4.751 124.149 119.300 0.164 0.000 0.986 404 C HA -0.039 4.421 4.460 -0.000 0.000 0.516 404 C C -0.062 174.976 174.990 0.081 0.000 1.308 404 C CA -0.084 59.005 59.018 0.120 0.000 1.877 404 C CB -1.213 26.579 27.740 0.086 0.000 3.376 404 C HN 0.752 nan 8.230 nan 0.000 0.586 405 P HA -0.056 nan 4.420 nan 0.000 0.236 405 P C 1.646 179.003 177.300 0.095 0.000 1.177 405 P CA 1.038 64.162 63.100 0.041 0.000 0.773 405 P CB 0.057 31.742 31.700 -0.026 0.000 0.878 406 R N 0.638 121.193 120.500 0.091 0.000 2.083 406 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 406 R C 0.953 177.313 176.300 0.099 0.000 1.137 406 R CA 1.694 57.864 56.100 0.117 0.000 0.951 406 R CB -1.357 28.987 30.300 0.074 0.000 0.851 406 R HN 0.154 nan 8.270 nan 0.000 0.434 407 C N -2.245 117.089 119.300 0.055 0.000 2.536 407 C HA 0.571 5.031 4.460 -0.000 0.000 0.385 407 C C 1.526 176.538 174.990 0.035 0.000 2.253 407 C CA -0.459 58.569 59.018 0.018 0.000 1.823 407 C CB 1.467 29.218 27.740 0.019 0.000 2.000 407 C HN 0.520 nan 8.230 nan 0.000 0.444 408 S N -1.573 114.139 115.700 0.021 0.000 2.648 408 S HA 0.361 4.831 4.470 -0.000 0.000 0.270 408 S C 0.849 175.465 174.600 0.027 0.000 1.080 408 S CA 0.656 58.876 58.200 0.032 0.000 1.159 408 S CB 0.906 64.114 63.200 0.012 0.000 1.091 408 S HN 1.101 nan 8.310 nan 0.000 0.605 409 G N 0.802 109.613 108.800 0.019 0.000 4.616 409 G HA2 0.036 3.996 3.960 -0.000 0.000 0.214 409 G HA3 0.036 3.996 3.960 -0.000 0.000 0.214 409 G C 0.723 175.628 174.900 0.008 0.000 0.653 409 G CA 0.721 45.831 45.100 0.017 0.000 0.816 409 G HN 0.434 nan 8.290 nan 0.000 0.601 410 T N -3.305 111.251 114.554 0.004 0.000 2.989 410 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 410 T C 1.830 176.527 174.700 -0.005 0.000 0.981 410 T CA 1.624 63.721 62.100 -0.005 0.000 0.980 410 T CB 0.409 69.270 68.868 -0.011 0.000 1.133 410 T HN 1.802 nan 8.240 nan 0.000 0.489 411 G N 1.758 110.559 108.800 0.001 0.000 2.149 411 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.235 411 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.235 411 G C 0.119 175.017 174.900 -0.002 0.000 1.018 411 G CA 0.500 45.602 45.100 0.003 0.000 0.728 411 G HN 1.319 nan 8.290 nan 0.000 0.508 412 T N -3.420 111.130 114.554 -0.007 0.000 2.865 412 T HA 0.803 5.153 4.350 -0.000 0.000 0.294 412 T C -0.834 173.857 174.700 -0.015 0.000 1.119 412 T CA -0.637 61.456 62.100 -0.011 0.000 1.007 412 T CB 3.259 72.118 68.868 -0.015 0.000 1.225 412 T HN 1.010 nan 8.240 nan 0.000 0.515 413 V N 0.789 120.693 119.914 -0.017 0.000 2.711 413 V HA 0.486 4.605 4.120 -0.000 0.000 0.304 413 V C -0.097 175.981 176.094 -0.026 0.000 1.097 413 V CA -1.006 61.281 62.300 -0.022 0.000 0.906 413 V CB 1.949 33.764 31.823 -0.013 0.000 1.015 413 V HN 0.970 nan 8.190 nan 0.000 0.427 414 R N 3.133 123.614 120.500 -0.031 0.000 2.502 414 R HA 0.064 4.404 4.340 -0.000 0.000 0.292 414 R C -0.212 176.062 176.300 -0.045 0.000 0.998 414 R CA -0.270 55.809 56.100 -0.034 0.000 1.056 414 R CB 0.280 30.563 30.300 -0.030 0.000 0.939 414 R HN 0.668 nan 8.270 nan 0.000 0.411 415 D N 3.116 123.486 120.400 -0.051 0.000 2.548 415 D HA -0.105 4.535 4.640 -0.000 0.000 0.231 415 D C 0.883 177.121 176.300 -0.104 0.000 1.142 415 D CA 0.597 54.556 54.000 -0.068 0.000 0.866 415 D CB 0.501 41.261 40.800 -0.066 0.000 1.190 415 D HN 0.609 nan 8.370 nan 0.000 0.469 416 N N 1.079 119.702 118.700 -0.129 0.000 2.137 416 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 416 N C 1.024 176.341 175.510 -0.321 0.000 1.017 416 N CA 1.034 53.973 53.050 -0.184 0.000 0.859 416 N CB 0.197 38.579 38.487 -0.174 0.000 1.002 416 N HN 0.398 nan 8.380 nan 0.000 0.428 417 E N 0.247 120.207 120.200 -0.400 0.000 2.033 417 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 417 E C 1.985 178.436 176.600 -0.249 0.000 0.979 417 E CA 0.719 56.786 56.400 -0.555 0.000 0.802 417 E CB -0.398 29.022 29.700 -0.467 0.000 0.763 417 E HN 0.113 nan 8.360 nan 0.000 0.449 418 S N 0.359 115.968 115.700 -0.151 0.000 2.402 418 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 418 S C 1.862 176.415 174.600 -0.078 0.000 1.030 418 S CA 0.834 58.985 58.200 -0.083 0.000 1.003 418 S CB -0.223 62.942 63.200 -0.059 0.000 0.813 418 S HN 0.183 nan 8.310 nan 0.000 0.477 419 L N 1.730 122.894 121.223 -0.099 0.000 2.017 419 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 419 L C 2.459 179.254 176.870 -0.124 0.000 1.073 419 L CA 2.247 57.028 54.840 -0.098 0.000 0.745 419 L CB -1.604 40.405 42.059 -0.084 0.000 0.894 419 L HN 0.333 nan 8.230 nan 0.000 0.432 420 S N -0.409 115.219 115.700 -0.120 0.000 2.345 420 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 420 S C 2.002 176.608 174.600 0.009 0.000 1.031 420 S CA 1.271 59.446 58.200 -0.043 0.000 0.996 420 S CB -0.439 62.799 63.200 0.063 0.000 0.882 420 S HN 0.430 nan 8.310 nan 0.000 0.445 421 L N 1.164 122.410 121.223 0.039 0.000 2.064 421 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 421 L C 2.722 179.587 176.870 -0.008 0.000 1.077 421 L CA 1.438 56.301 54.840 0.039 0.000 0.766 421 L CB -0.555 41.524 42.059 0.034 0.000 0.890 421 L HN 0.321 nan 8.230 nan 0.000 0.435 422 S N -0.247 115.429 115.700 -0.041 0.000 2.335 422 S HA -0.126 4.344 4.470 -0.000 0.000 0.216 422 S C 1.985 176.529 174.600 -0.093 0.000 1.032 422 S CA 0.913 59.081 58.200 -0.053 0.000 1.000 422 S CB -0.113 63.057 63.200 -0.050 0.000 0.928 422 S HN 0.248 nan 8.310 nan 0.000 0.434 423 I N 1.993 122.442 120.570 -0.200 0.000 2.229 423 I HA -0.217 3.953 4.170 -0.000 0.000 0.250 423 I C 2.398 178.442 176.117 -0.122 0.000 1.096 423 I CA 1.376 62.502 61.300 -0.291 0.000 1.358 423 I CB -1.266 36.493 38.000 -0.401 0.000 1.047 423 I HN 0.407 nan 8.210 nan 0.000 0.422 424 L N 1.460 122.643 121.223 -0.066 0.000 2.109 424 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 424 L C 2.755 179.618 176.870 -0.012 0.000 1.086 424 L CA 1.449 56.275 54.840 -0.024 0.000 0.760 424 L CB -0.507 41.554 42.059 0.002 0.000 0.910 424 L HN 0.114 nan 8.230 nan 0.000 0.437 425 R N -0.566 119.927 120.500 -0.011 0.000 2.115 425 R HA -0.082 4.257 4.340 -0.000 0.000 0.226 425 R C 2.133 178.436 176.300 0.004 0.000 1.100 425 R CA 1.168 57.268 56.100 -0.001 0.000 0.980 425 R CB -1.059 29.242 30.300 0.002 0.000 0.875 425 R HN 0.311 nan 8.270 nan 0.000 0.445 426 L N 2.093 123.316 121.223 0.000 0.000 1.989 426 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 426 L C 2.112 178.996 176.870 0.023 0.000 1.071 426 L CA 1.500 56.351 54.840 0.018 0.000 0.749 426 L CB -0.749 41.327 42.059 0.028 0.000 0.890 426 L HN 0.110 nan 8.230 nan 0.000 0.431 427 I N -0.133 120.446 120.570 0.015 0.000 2.118 427 I HA -0.370 3.799 4.170 -0.000 0.000 0.241 427 I C 2.564 178.695 176.117 0.023 0.000 1.070 427 I CA 1.935 63.250 61.300 0.026 0.000 1.327 427 I CB -0.364 37.648 38.000 0.020 0.000 1.034 427 I HN 0.451 nan 8.210 nan 0.000 0.405 428 E N 1.222 121.430 120.200 0.015 0.000 2.077 428 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 428 E C 2.164 178.773 176.600 0.015 0.000 0.989 428 E CA 2.000 58.408 56.400 0.014 0.000 0.800 428 E CB -0.075 29.630 29.700 0.009 0.000 0.746 428 E HN 0.523 nan 8.360 nan 0.000 0.452 429 E N 1.411 121.620 120.200 0.016 0.000 2.072 429 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 429 E C 1.913 178.524 176.600 0.019 0.000 0.985 429 E CA 1.284 57.693 56.400 0.016 0.000 0.801 429 E CB -0.818 28.892 29.700 0.016 0.000 0.750 429 E HN 0.331 nan 8.360 nan 0.000 0.452 430 E N -0.328 119.887 120.200 0.024 0.000 2.219 430 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 430 E C 2.065 178.679 176.600 0.024 0.000 0.998 430 E CA 1.185 57.601 56.400 0.027 0.000 0.818 430 E CB -0.155 29.568 29.700 0.037 0.000 0.741 430 E HN 0.573 nan 8.360 nan 0.000 0.477 431 A N -0.183 122.651 122.820 0.024 0.000 2.267 431 A HA 0.046 4.366 4.320 -0.000 0.000 0.213 431 A C 1.818 179.412 177.584 0.017 0.000 1.192 431 A CA -0.005 52.046 52.037 0.024 0.000 0.851 431 A CB 0.181 19.196 19.000 0.025 0.000 0.881 431 A HN 0.051 nan 8.150 nan 0.000 0.494 432 L N -0.150 121.082 121.223 0.015 0.000 2.162 432 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 432 L C 1.922 178.798 176.870 0.011 0.000 1.086 432 L CA 1.473 56.320 54.840 0.011 0.000 0.778 432 L CB -1.709 40.356 42.059 0.010 0.000 0.928 432 L HN 0.459 nan 8.230 nan 0.000 0.446 433 K N 1.957 122.364 120.400 0.011 0.000 2.196 433 K HA 0.176 4.496 4.320 -0.000 0.000 0.254 433 K C 0.661 177.266 176.600 0.008 0.000 1.303 433 K CA 0.874 57.167 56.287 0.009 0.000 1.306 433 K CB -2.423 30.084 32.500 0.010 0.000 0.803 433 K HN 0.542 nan 8.250 nan 0.000 0.469 434 E N 2.089 122.293 120.200 0.006 0.000 3.131 434 E HA 0.076 4.426 4.350 -0.000 0.000 0.258 434 E C 0.618 177.221 176.600 0.004 0.000 0.901 434 E CA 0.725 57.128 56.400 0.005 0.000 0.964 434 E CB -0.702 29.001 29.700 0.004 0.000 0.903 434 E HN 1.266 nan 8.360 nan 0.000 0.537 435 N N -0.187 118.515 118.700 0.005 0.000 2.995 435 N HA -0.133 4.607 4.740 -0.000 0.000 0.247 435 N C -0.534 174.978 175.510 0.003 0.000 1.129 435 N CA 1.099 54.151 53.050 0.003 0.000 0.721 435 N CB -1.265 37.222 38.487 0.002 0.000 1.079 435 N HN 0.883 nan 8.380 nan 0.000 0.553 436 T N -1.812 112.746 114.554 0.006 0.000 2.895 436 T HA 0.528 4.878 4.350 -0.000 0.000 0.283 436 T C 0.829 175.537 174.700 0.013 0.000 1.014 436 T CA -0.645 61.459 62.100 0.007 0.000 1.037 436 T CB 2.493 71.368 68.868 0.012 0.000 1.006 436 T HN 0.146 nan 8.240 nan 0.000 0.468 437 Q N 1.281 121.090 119.800 0.015 0.000 2.514 437 Q HA 0.345 4.685 4.340 -0.000 0.000 0.191 437 Q C 1.063 177.091 176.000 0.047 0.000 0.968 437 Q CA 1.067 56.885 55.803 0.025 0.000 0.852 437 Q CB -0.636 28.115 28.738 0.022 0.000 1.051 437 Q HN 0.884 nan 8.270 nan 0.000 0.604 438 E N 0.018 120.262 120.200 0.073 0.000 2.385 438 E HA 0.595 4.945 4.350 -0.000 0.000 0.254 438 E C -0.583 176.101 176.600 0.139 0.000 1.228 438 E CA -0.062 56.427 56.400 0.149 0.000 0.956 438 E CB 0.765 30.662 29.700 0.329 0.000 1.116 438 E HN 0.671 nan 8.360 nan 0.000 0.507 439 V N -1.055 119.011 119.914 0.254 0.000 3.077 439 V HA 0.576 4.696 4.120 -0.000 0.000 0.299 439 V C -1.258 175.057 176.094 0.368 0.000 1.276 439 V CA -0.489 61.942 62.300 0.219 0.000 0.993 439 V CB 1.837 33.724 31.823 0.106 0.000 1.076 439 V HN 0.935 nan 8.190 nan 0.000 0.434 440 H N 4.598 123.693 119.070 0.042 0.000 2.514 440 H HA 0.596 5.152 4.556 -0.000 0.000 0.226 440 H C 0.506 175.877 175.328 0.072 0.000 1.421 440 H CA -0.128 55.947 56.048 0.046 0.000 1.394 440 H CB 1.447 31.233 29.762 0.040 0.000 1.701 440 H HN 1.149 nan 8.280 nan 0.000 0.515 441 A N 2.350 125.276 122.820 0.176 0.000 2.587 441 A HA 0.098 4.418 4.320 -0.000 0.000 0.233 441 A C 0.222 177.901 177.584 0.158 0.000 1.049 441 A CA 0.493 52.624 52.037 0.157 0.000 0.754 441 A CB 0.175 19.226 19.000 0.085 0.000 0.977 441 A HN 0.529 nan 8.150 nan 0.000 0.509 442 I N 3.772 124.467 120.570 0.209 0.000 2.503 442 I HA 0.398 4.568 4.170 -0.000 0.000 0.282 442 I C -0.315 175.936 176.117 0.223 0.000 1.059 442 I CA -0.245 61.163 61.300 0.181 0.000 1.081 442 I CB 1.032 39.134 38.000 0.169 0.000 1.210 442 I HN 0.634 nan 8.210 nan 0.000 0.450 443 V N 4.960 124.970 119.914 0.161 0.000 3.049 443 V HA 0.733 4.853 4.120 -0.000 0.000 0.309 443 V C -2.827 173.345 176.094 0.130 0.000 1.148 443 V CA -2.428 59.975 62.300 0.172 0.000 0.990 443 V CB 2.441 34.318 31.823 0.090 0.000 1.039 443 V HN 0.329 nan 8.190 nan 0.000 0.430 444 P HA 0.007 nan 4.420 nan 0.000 0.268 444 P C 1.014 178.360 177.300 0.076 0.000 1.189 444 P CA 0.551 63.715 63.100 0.107 0.000 0.771 444 P CB 0.624 32.387 31.700 0.105 0.000 0.822 445 V N 4.940 124.892 119.914 0.062 0.000 2.287 445 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 445 V C -0.846 175.280 176.094 0.053 0.000 1.053 445 V CA 2.555 64.886 62.300 0.052 0.000 1.027 445 V CB -1.708 30.140 31.823 0.041 0.000 0.646 445 V HN 0.704 nan 8.190 nan 0.000 0.447 446 P HA -0.061 nan 4.420 nan 0.000 0.217 446 P C 1.719 179.061 177.300 0.071 0.000 1.154 446 P CA 0.996 64.128 63.100 0.053 0.000 0.841 446 P CB -0.096 31.623 31.700 0.032 0.000 0.788 447 I N 0.668 121.267 120.570 0.048 0.000 2.143 447 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 447 I C 2.248 178.415 176.117 0.084 0.000 1.068 447 I CA 1.614 62.945 61.300 0.051 0.000 1.326 447 I CB -2.100 35.909 38.000 0.015 0.000 1.028 447 I HN -0.073 nan 8.210 nan 0.000 0.412 448 A N -0.535 122.326 122.820 0.067 0.000 2.014 448 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 448 A C 2.552 180.172 177.584 0.059 0.000 1.163 448 A CA 1.750 53.822 52.037 0.058 0.000 0.652 448 A CB -0.728 18.303 19.000 0.051 0.000 0.808 448 A HN 0.476 nan 8.150 nan 0.000 0.449 449 S N -1.522 114.222 115.700 0.073 0.000 2.355 449 S HA -0.212 4.257 4.470 -0.000 0.000 0.222 449 S C 1.941 176.592 174.600 0.084 0.000 1.031 449 S CA 1.575 59.815 58.200 0.066 0.000 0.993 449 S CB -0.596 62.647 63.200 0.072 0.000 0.859 449 S HN 0.663 nan 8.310 nan 0.000 0.453 450 Y N 1.381 121.677 120.300 -0.007 0.000 2.314 450 Y HA 0.188 4.738 4.550 -0.000 0.000 0.293 450 Y C 1.855 177.747 175.900 -0.015 0.000 1.129 450 Y CA 1.262 59.355 58.100 -0.011 0.000 1.201 450 Y CB -0.175 38.277 38.460 -0.014 0.000 0.999 450 Y HN 0.266 nan 8.280 nan 0.000 0.541 451 L N -0.531 120.743 121.223 0.086 0.000 2.217 451 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 451 L C 1.840 178.667 176.870 -0.073 0.000 1.107 451 L CA 0.796 55.635 54.840 -0.002 0.000 0.783 451 L CB -0.167 41.914 42.059 0.036 0.000 0.919 451 L HN 0.304 nan 8.230 nan 0.000 0.442 452 L N -1.484 119.707 121.223 -0.054 0.000 2.515 452 L HA 0.093 4.432 4.340 -0.000 0.000 0.223 452 L C 1.494 178.323 176.870 -0.068 0.000 1.079 452 L CA -0.037 54.775 54.840 -0.046 0.000 0.857 452 L CB -0.048 42.001 42.059 -0.016 0.000 1.050 452 L HN 0.322 nan 8.230 nan 0.000 0.476 453 N N -0.161 118.480 118.700 -0.098 0.000 2.107 453 N HA -0.007 4.732 4.740 -0.000 0.000 0.230 453 N C 1.078 176.464 175.510 -0.206 0.000 1.139 453 N CA -0.078 52.902 53.050 -0.117 0.000 1.110 453 N CB -0.344 38.096 38.487 -0.078 0.000 1.474 453 N HN -0.186 nan 8.380 nan 0.000 0.525 454 E N 0.912 120.942 120.200 -0.284 0.000 2.549 454 E HA -0.291 4.059 4.350 -0.000 0.000 0.249 454 E C 1.486 177.861 176.600 -0.374 0.000 1.084 454 E CA 3.136 59.278 56.400 -0.431 0.000 1.243 454 E CB -0.675 28.412 29.700 -1.021 0.000 1.105 454 E HN 0.610 nan 8.360 nan 0.000 0.477 455 K N 0.520 120.674 120.400 -0.410 0.000 2.437 455 K HA 0.260 4.580 4.320 -0.000 0.000 0.205 455 K C 1.413 177.934 176.600 -0.132 0.000 1.026 455 K CA 0.623 56.764 56.287 -0.244 0.000 1.153 455 K CB -0.145 32.222 32.500 -0.221 0.000 0.863 455 K HN 0.226 nan 8.250 nan 0.000 0.502 456 R N 1.199 121.630 120.500 -0.116 0.000 2.092 456 R HA -0.208 4.132 4.340 -0.000 0.000 0.226 456 R C 2.239 178.508 176.300 -0.052 0.000 1.140 456 R CA 2.762 58.818 56.100 -0.072 0.000 0.910 456 R CB -0.559 29.705 30.300 -0.059 0.000 0.822 456 R HN 0.476 nan 8.270 nan 0.000 0.433 457 S N 0.597 116.269 115.700 -0.047 0.000 2.692 457 S HA -0.400 4.070 4.470 -0.000 0.000 0.347 457 S C 2.004 176.585 174.600 -0.032 0.000 1.359 457 S CA 2.189 60.367 58.200 -0.037 0.000 1.123 457 S CB -1.516 61.659 63.200 -0.041 0.000 1.261 457 S HN 0.691 nan 8.310 nan 0.000 0.445 458 A N 2.206 125.003 122.820 -0.037 0.000 1.832 458 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 458 A C 2.539 180.111 177.584 -0.019 0.000 1.200 458 A CA 2.108 54.130 52.037 -0.026 0.000 0.610 458 A CB -1.387 17.597 19.000 -0.026 0.000 0.842 458 A HN 1.050 nan 8.150 nan 0.000 0.444 459 V N 1.187 121.088 119.914 -0.022 0.000 2.481 459 V HA -0.374 3.746 4.120 -0.000 0.000 0.263 459 V C 2.147 178.234 176.094 -0.012 0.000 1.108 459 V CA 2.335 64.626 62.300 -0.015 0.000 1.113 459 V CB -1.307 30.505 31.823 -0.019 0.000 0.684 459 V HN 0.552 nan 8.190 nan 0.000 0.467 460 N N -0.170 118.521 118.700 -0.015 0.000 2.220 460 N HA 0.034 4.774 4.740 -0.000 0.000 0.193 460 N C 1.964 177.469 175.510 -0.008 0.000 1.052 460 N CA 1.523 54.566 53.050 -0.012 0.000 0.898 460 N CB -0.544 37.934 38.487 -0.016 0.000 1.080 460 N HN 0.402 nan 8.380 nan 0.000 0.467 461 A N 1.668 124.482 122.820 -0.009 0.000 1.257 461 A HA -0.335 3.985 4.320 -0.000 0.000 0.399 461 A C 2.007 179.589 177.584 -0.004 0.000 5.515 461 A CA 2.559 54.592 52.037 -0.008 0.000 1.068 461 A CB -1.832 17.162 19.000 -0.011 0.000 1.218 461 A HN 0.417 nan 8.150 nan 0.000 0.660 462 I N -0.403 120.165 120.570 -0.003 0.000 2.086 462 I HA -0.215 3.955 4.170 -0.000 0.000 0.233 462 I C 2.535 178.654 176.117 0.003 0.000 1.060 462 I CA 1.667 62.968 61.300 0.002 0.000 1.326 462 I CB -0.749 37.253 38.000 0.004 0.000 1.067 462 I HN 0.626 nan 8.210 nan 0.000 0.398 463 E N 0.618 120.820 120.200 0.004 0.000 2.233 463 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 463 E C 1.941 178.543 176.600 0.003 0.000 1.004 463 E CA 2.001 58.404 56.400 0.005 0.000 0.819 463 E CB -0.682 29.020 29.700 0.004 0.000 0.738 463 E HN 0.673 nan 8.360 nan 0.000 0.478 464 T N -0.390 114.164 114.554 0.001 0.000 2.746 464 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 464 T C 1.969 176.670 174.700 0.001 0.000 1.039 464 T CA 1.152 63.252 62.100 0.000 0.000 1.142 464 T CB -0.049 68.817 68.868 -0.002 0.000 0.866 464 T HN 0.109 nan 8.240 nan 0.000 0.444 465 R N 0.321 120.822 120.500 0.002 0.000 2.041 465 R HA 0.164 4.504 4.340 -0.000 0.000 0.221 465 R C 1.406 177.709 176.300 0.004 0.000 1.196 465 R CA 0.537 56.638 56.100 0.003 0.000 0.969 465 R CB -0.347 29.954 30.300 0.002 0.000 0.858 465 R HN 0.267 nan 8.270 nan 0.000 0.444 466 Q N 2.077 121.881 119.800 0.006 0.000 1.923 466 Q HA -0.020 4.320 4.340 -0.000 0.000 0.107 466 Q C -0.911 175.094 176.000 0.008 0.000 0.778 466 Q CA 0.746 56.554 55.803 0.008 0.000 1.039 466 Q CB -2.200 26.544 28.738 0.011 0.000 1.508 466 Q HN 0.425 nan 8.270 nan 0.000 0.323 467 D N 0.111 120.515 120.400 0.006 0.000 3.683 467 D HA 0.202 4.842 4.640 -0.000 0.000 0.201 467 D C 1.319 177.624 176.300 0.008 0.000 1.100 467 D CA 0.819 54.822 54.000 0.006 0.000 0.742 467 D CB -0.461 40.342 40.800 0.005 0.000 1.168 467 D HN 0.711 nan 8.370 nan 0.000 0.585 468 G N 0.569 109.373 108.800 0.008 0.000 2.155 468 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.257 468 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.257 468 G C 0.594 175.502 174.900 0.014 0.000 0.983 468 G CA 0.373 45.479 45.100 0.010 0.000 0.676 468 G HN 1.580 nan 8.290 nan 0.000 0.528 469 V N 1.172 121.095 119.914 0.016 0.000 2.389 469 V HA 0.669 4.789 4.120 -0.000 0.000 0.264 469 V C 1.161 177.270 176.094 0.026 0.000 1.049 469 V CA 0.239 62.553 62.300 0.024 0.000 0.932 469 V CB 0.581 32.419 31.823 0.024 0.000 1.011 469 V HN 0.824 nan 8.190 nan 0.000 0.475 470 R N 3.494 124.014 120.500 0.033 0.000 2.316 470 R HA 0.352 4.691 4.340 -0.000 0.000 0.314 470 R C -0.177 176.148 176.300 0.043 0.000 1.069 470 R CA -0.281 55.835 56.100 0.028 0.000 0.959 470 R CB -0.262 30.052 30.300 0.023 0.000 0.987 470 R HN 0.883 nan 8.270 nan 0.000 0.446 471 C N 4.048 123.364 119.300 0.026 0.000 2.176 471 C HA 0.442 4.901 4.460 -0.000 0.000 0.329 471 C C 0.580 175.568 174.990 -0.002 0.000 1.113 471 C CA -1.370 57.668 59.018 0.033 0.000 1.562 471 C CB -0.777 26.979 27.740 0.026 0.000 2.040 471 C HN 0.705 nan 8.230 nan 0.000 0.460 472 V N 4.403 124.291 119.914 -0.043 0.000 2.715 472 V HA 0.263 4.383 4.120 -0.000 0.000 0.299 472 V C 0.286 176.348 176.094 -0.054 0.000 1.054 472 V CA 0.250 62.480 62.300 -0.117 0.000 1.077 472 V CB 0.692 32.306 31.823 -0.350 0.000 0.972 472 V HN 0.756 nan 8.190 nan 0.000 0.484 473 I N 4.463 125.011 120.570 -0.035 0.000 2.641 473 I HA 0.249 4.419 4.170 -0.000 0.000 0.275 473 I C -0.540 175.585 176.117 0.012 0.000 1.129 473 I CA -0.321 60.981 61.300 0.003 0.000 1.094 473 I CB 1.766 39.772 38.000 0.010 0.000 1.232 473 I HN 0.527 nan 8.210 nan 0.000 0.503 474 V N 8.827 128.753 119.914 0.021 0.000 2.406 474 V HA 0.585 4.705 4.120 -0.000 0.000 0.272 474 V C -2.167 173.961 176.094 0.058 0.000 1.043 474 V CA -1.592 60.730 62.300 0.037 0.000 0.915 474 V CB 1.416 33.258 31.823 0.032 0.000 0.988 474 V HN 0.390 nan 8.190 nan 0.000 0.466 475 P HA 0.337 nan 4.420 nan 0.000 0.282 475 P C -1.261 176.075 177.300 0.061 0.000 1.249 475 P CA -0.263 62.872 63.100 0.058 0.000 0.806 475 P CB 1.339 33.067 31.700 0.047 0.000 0.984 476 N N 1.336 120.073 118.700 0.062 0.000 2.396 476 N HA 0.177 4.917 4.740 -0.000 0.000 0.275 476 N C -0.575 174.965 175.510 0.051 0.000 1.218 476 N CA -0.586 52.498 53.050 0.057 0.000 0.812 476 N CB 1.391 39.915 38.487 0.062 0.000 1.592 476 N HN 0.275 nan 8.380 nan 0.000 0.480 477 D N 0.306 120.730 120.400 0.039 0.000 2.469 477 D HA 0.088 4.728 4.640 -0.000 0.000 0.213 477 D C 0.591 176.909 176.300 0.030 0.000 1.135 477 D CA 0.170 54.189 54.000 0.033 0.000 0.834 477 D CB 0.479 41.292 40.800 0.022 0.000 1.009 477 D HN 0.309 nan 8.370 nan 0.000 0.507 478 Q N 0.602 120.420 119.800 0.030 0.000 2.008 478 Q HA 0.149 4.489 4.340 -0.000 0.000 0.196 478 Q C 1.154 177.173 176.000 0.032 0.000 0.973 478 Q CA 0.590 56.406 55.803 0.021 0.000 0.826 478 Q CB -0.234 28.509 28.738 0.009 0.000 0.894 478 Q HN 0.378 nan 8.270 nan 0.000 0.439 479 M N 2.098 121.730 119.600 0.054 0.000 2.286 479 M HA -0.071 4.409 4.480 -0.000 0.000 0.365 479 M C 0.426 176.788 176.300 0.103 0.000 1.443 479 M CA 0.730 56.086 55.300 0.093 0.000 0.951 479 M CB 0.152 32.836 32.600 0.139 0.000 1.961 479 M HN 0.008 nan 8.290 nan 0.000 0.468 480 E N 1.240 121.518 120.200 0.130 0.000 2.330 480 E HA 0.123 4.473 4.350 -0.000 0.000 0.256 480 E C 0.859 177.551 176.600 0.154 0.000 1.146 480 E CA -0.122 56.356 56.400 0.130 0.000 0.945 480 E CB 0.987 30.765 29.700 0.129 0.000 1.182 480 E HN 0.668 nan 8.360 nan 0.000 0.480 481 T N 0.253 114.866 114.554 0.097 0.000 2.995 481 T HA -0.007 4.343 4.350 -0.000 0.000 0.269 481 T C -1.295 173.441 174.700 0.061 0.000 1.091 481 T CA 0.691 62.831 62.100 0.066 0.000 1.128 481 T CB -0.320 68.566 68.868 0.029 0.000 0.891 481 T HN 0.204 nan 8.240 nan 0.000 0.492 482 P HA 0.194 nan 4.420 nan 0.000 0.252 482 P C 0.277 177.538 177.300 -0.065 0.000 1.211 482 P CA 0.224 63.296 63.100 -0.046 0.000 0.824 482 P CB 0.129 31.721 31.700 -0.179 0.000 1.077 483 H N 0.550 119.688 119.070 0.113 0.000 2.509 483 H HA 0.409 4.965 4.556 -0.000 0.000 0.359 483 H C -0.025 175.414 175.328 0.185 0.000 1.253 483 H CA 0.503 56.572 56.048 0.035 0.000 1.373 483 H CB 0.875 30.649 29.762 0.020 0.000 1.555 483 H HN 0.066 nan 8.280 nan 0.000 0.586 484 Y N -2.276 118.142 120.300 0.196 0.000 2.948 484 Y HA 0.253 4.803 4.550 -0.000 0.000 0.407 484 Y C -2.196 173.770 175.900 0.109 0.000 1.115 484 Y CA -1.040 57.180 58.100 0.201 0.000 1.357 484 Y CB 0.092 38.614 38.460 0.103 0.000 1.560 484 Y HN 0.598 nan 8.280 nan 0.000 0.517 485 H N 0.086 119.363 119.070 0.346 0.000 2.797 485 H HA 0.859 5.415 4.556 -0.000 0.000 0.372 485 H C -1.252 174.256 175.328 0.301 0.000 1.168 485 H CA -1.130 55.051 56.048 0.222 0.000 1.163 485 H CB 2.483 32.308 29.762 0.105 0.000 1.778 485 H HN 0.682 nan 8.280 nan 0.000 0.551 486 V N 3.741 123.834 119.914 0.298 0.000 2.462 486 V HA 0.171 4.290 4.120 -0.000 0.000 0.257 486 V C -0.409 175.778 176.094 0.154 0.000 0.944 486 V CA -0.424 62.010 62.300 0.223 0.000 0.903 486 V CB -0.263 31.678 31.823 0.197 0.000 1.128 486 V HN 0.454 nan 8.190 nan 0.000 0.486 487 L N 1.917 123.229 121.223 0.149 0.000 2.466 487 L HA 0.673 5.013 4.340 -0.000 0.000 0.257 487 L C 0.373 177.245 176.870 0.005 0.000 1.189 487 L CA -0.522 54.355 54.840 0.061 0.000 0.813 487 L CB 0.371 42.442 42.059 0.019 0.000 1.118 487 L HN 0.542 nan 8.230 nan 0.000 0.471 488 R N 0.450 120.922 120.500 -0.046 0.000 2.621 488 R HA 0.706 5.046 4.340 -0.000 0.000 0.284 488 R C -1.917 174.322 176.300 -0.102 0.000 0.998 488 R CA -0.709 55.360 56.100 -0.052 0.000 0.895 488 R CB 2.184 32.480 30.300 -0.006 0.000 1.195 488 R HN 0.496 nan 8.270 nan 0.000 0.450 489 V N 1.042 120.892 119.914 -0.108 0.000 2.376 489 V HA 0.472 4.592 4.120 -0.000 0.000 0.287 489 V C 0.084 176.149 176.094 -0.048 0.000 1.015 489 V CA -1.234 60.995 62.300 -0.117 0.000 0.834 489 V CB 0.934 32.634 31.823 -0.205 0.000 1.001 489 V HN 0.697 nan 8.190 nan 0.000 0.428 490 R N 1.994 122.472 120.500 -0.038 0.000 2.543 490 R HA 0.593 4.933 4.340 -0.000 0.000 0.277 490 R C 0.801 177.094 176.300 -0.011 0.000 1.074 490 R CA -0.297 55.792 56.100 -0.018 0.000 1.076 490 R CB -0.468 29.822 30.300 -0.017 0.000 0.993 490 R HN 1.293 nan 8.270 nan 0.000 0.459 491 K N 0.619 121.017 120.400 -0.004 0.000 2.606 491 K HA 0.199 4.519 4.320 -0.000 0.000 0.279 491 K C 1.958 178.557 176.600 -0.002 0.000 0.961 491 K CA 0.915 57.202 56.287 0.000 0.000 1.002 491 K CB -1.088 31.413 32.500 0.002 0.000 0.871 491 K HN 1.745 nan 8.250 nan 0.000 0.508 492 G N 0.346 109.147 108.800 0.001 0.000 2.746 492 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.236 492 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.236 492 G C 0.828 175.727 174.900 -0.002 0.000 1.172 492 G CA 1.521 46.621 45.100 -0.001 0.000 0.736 492 G HN 1.735 nan 8.290 nan 0.000 0.519 493 E N 1.781 121.977 120.200 -0.007 0.000 2.351 493 E HA 0.337 4.687 4.350 -0.000 0.000 0.236 493 E C 0.271 176.864 176.600 -0.013 0.000 1.341 493 E CA 0.309 56.701 56.400 -0.012 0.000 1.579 493 E CB -0.176 29.512 29.700 -0.019 0.000 1.393 493 E HN 0.616 nan 8.360 nan 0.000 0.438 494 E N 1.142 121.342 120.200 0.000 0.000 2.141 494 E HA 0.099 4.449 4.350 -0.000 0.000 0.259 494 E C -0.428 176.185 176.600 0.020 0.000 0.883 494 E CA -0.804 55.605 56.400 0.016 0.000 0.744 494 E CB 1.235 30.954 29.700 0.031 0.000 1.150 494 E HN 0.117 nan 8.360 nan 0.000 0.420 495 T N 3.596 118.164 114.554 0.023 0.000 2.939 495 T HA 0.093 4.443 4.350 -0.000 0.000 0.312 495 T C -2.048 172.665 174.700 0.022 0.000 1.064 495 T CA -0.637 61.474 62.100 0.019 0.000 1.136 495 T CB 0.028 68.908 68.868 0.021 0.000 1.035 495 T HN 0.356 nan 8.240 nan 0.000 0.538 496 P HA 0.480 nan 4.420 nan 0.000 0.295 496 P C -1.003 176.282 177.300 -0.025 0.000 1.354 496 P CA -0.346 62.749 63.100 -0.008 0.000 0.814 496 P CB 1.201 32.896 31.700 -0.009 0.000 0.935 497 T N 2.907 117.436 114.554 -0.041 0.000 3.012 497 T HA 0.245 4.595 4.350 -0.000 0.000 0.330 497 T C -0.577 174.041 174.700 -0.136 0.000 1.321 497 T CA -0.630 61.425 62.100 -0.075 0.000 1.067 497 T CB 0.905 69.745 68.868 -0.047 0.000 1.235 497 T HN 0.149 nan 8.240 nan 0.000 0.479 498 L N 3.780 124.863 121.223 -0.233 0.000 2.584 498 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 498 L C 2.263 178.910 176.870 -0.372 0.000 1.195 498 L CA 0.404 55.011 54.840 -0.389 0.000 0.920 498 L CB 0.713 42.298 42.059 -0.790 0.000 1.173 498 L HN 1.124 nan 8.230 nan 0.000 0.489 499 S N 4.336 119.892 115.700 -0.240 0.000 2.502 499 S HA -0.339 4.131 4.470 -0.000 0.000 0.288 499 S C 1.383 175.924 174.600 -0.100 0.000 1.186 499 S CA 2.625 60.739 58.200 -0.144 0.000 1.182 499 S CB -0.924 62.255 63.200 -0.034 0.000 1.135 499 S HN 0.757 nan 8.310 nan 0.000 0.442 500 Y N -1.934 118.352 120.300 -0.023 0.000 2.462 500 Y HA 0.670 5.220 4.550 -0.000 0.000 0.261 500 Y C 1.903 177.799 175.900 -0.007 0.000 1.146 500 Y CA -0.260 57.833 58.100 -0.013 0.000 1.283 500 Y CB -0.284 38.170 38.460 -0.009 0.000 1.090 500 Y HN 0.203 nan 8.280 nan 0.000 0.526 501 M N 1.003 120.416 119.600 -0.312 0.000 2.682 501 M HA 0.128 4.608 4.480 -0.000 0.000 0.235 501 M C 1.289 177.555 176.300 -0.057 0.000 1.114 501 M CA 0.121 55.332 55.300 -0.149 0.000 1.053 501 M CB -0.837 31.616 32.600 -0.244 0.000 1.599 501 M HN 0.498 nan 8.290 nan 0.000 0.520 502 L N -0.111 121.094 121.223 -0.031 0.000 1.982 502 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 502 L C -0.572 176.310 176.870 0.019 0.000 1.078 502 L CA 0.595 55.435 54.840 -0.000 0.000 0.749 502 L CB -1.935 40.132 42.059 0.014 0.000 0.894 502 L HN 0.177 nan 8.230 nan 0.000 0.436 503 P HA 0.000 nan 4.420 nan 0.000 0.216 503 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 503 P CB 0.000 31.702 31.700 0.003 0.000 0.726