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 2ywb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MVLVLDFGSQ YTRLIARRLR ELRAFSLILP GDAPLEEVLK HRPQALILSG DATA SEQUENCE GPRSVFDPDA PRPDPRLFSS GLPLLGICYG MQLLAQELGG RVERAXXXXY DATA SEQUENCE GKALLTRHEG PLFRGLEGEV QVWMSHQDAV TAPPPGWRVV AETEENPVAA DATA SEQUENCE IASPDGRAYG VQFHPEVAHT PKGMQILENF LELAGVKRDW TPEHVLEELL DATA SEQUENCE REVRERAGKD RVLLAVSGGV DSSTLALLLA KAGVDHLAVF VDHGLLRLGE DATA SEQUENCE REEVEGALRA LGVNLLVVDA KERFLKALKG VEDPEEKRKI IGREFVAAFS DATA SEQUENCE QVARERGPFR FLAQGTLYPD VIESAXXXXX XXXXXXXXXX XXXXXXEFEL DATA SEQUENCE LEPFRLLFKD EVRELALLLG LPDTLRLRHP FPGPGLAVRV LGEVTEERLE DATA SEQUENCE ILRRADDIFT SLLREWGLYE KVAQALAVLT PVXXXXXXXX XXXXGYVLAL DATA SEQUENCE RAVTTEDFMT ADWARLPLEF LDEAARRITR RVPEIGRVVY DLTSKPPATI DATA SEQUENCE EWE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.385 55.300 0.141 0.000 0.988 1 M CB 0.000 32.726 32.600 0.210 0.000 1.302 2 V N 4.909 124.819 119.914 -0.007 0.000 2.540 2 V HA 0.613 4.733 4.120 0.001 0.000 0.302 2 V C -0.786 175.271 176.094 -0.062 0.000 1.035 2 V CA -0.782 61.513 62.300 -0.010 0.000 0.873 2 V CB 1.952 33.776 31.823 0.002 0.000 0.992 2 V HN 0.775 nan 8.190 nan 0.000 0.428 3 L N 5.469 126.682 121.223 -0.016 0.000 2.322 3 L HA 0.676 5.017 4.340 0.001 0.000 0.279 3 L C -0.376 176.483 176.870 -0.019 0.000 1.036 3 L CA 0.012 54.819 54.840 -0.055 0.000 0.807 3 L CB 1.917 43.955 42.059 -0.034 0.000 1.226 3 L HN 0.462 nan 8.230 nan 0.000 0.433 4 V N 5.754 125.639 119.914 -0.049 0.000 2.357 4 V HA 0.339 4.460 4.120 0.001 0.000 0.284 4 V C -0.270 175.790 176.094 -0.056 0.000 1.018 4 V CA -0.823 61.465 62.300 -0.020 0.000 0.841 4 V CB 1.416 33.232 31.823 -0.011 0.000 0.991 4 V HN 0.419 nan 8.190 nan 0.000 0.437 5 L N 3.936 125.122 121.223 -0.061 0.000 2.325 5 L HA 0.337 4.677 4.340 0.001 0.000 0.284 5 L C 0.258 176.901 176.870 -0.379 0.000 1.089 5 L CA 0.227 54.927 54.840 -0.233 0.000 0.836 5 L CB 0.693 42.618 42.059 -0.223 0.000 1.184 5 L HN 0.666 nan 8.230 nan 0.000 0.444 6 D N 3.247 123.430 120.400 -0.362 0.000 2.338 6 D HA 0.078 4.718 4.640 0.001 0.000 0.255 6 D C 0.193 176.254 176.300 -0.397 0.000 1.237 6 D CA 0.020 53.863 54.000 -0.261 0.000 0.883 6 D CB 0.371 41.084 40.800 -0.144 0.000 1.087 6 D HN 0.220 nan 8.370 nan 0.000 0.485 7 F N 1.610 121.611 119.950 0.085 0.000 2.684 7 F HA 0.318 4.846 4.527 0.001 0.000 0.298 7 F C 1.894 177.669 175.800 -0.042 0.000 1.120 7 F CA -0.074 57.970 58.000 0.074 0.000 1.332 7 F CB 0.552 39.700 39.000 0.248 0.000 0.986 7 F HN 0.621 nan 8.300 nan 0.000 0.524 8 G N -0.321 108.523 108.800 0.073 0.000 2.176 8 G HA2 -0.268 3.692 3.960 0.001 0.000 0.232 8 G HA3 -0.268 3.692 3.960 0.001 0.000 0.232 8 G C 0.541 175.455 174.900 0.024 0.000 0.986 8 G CA 0.161 45.272 45.100 0.019 0.000 0.643 8 G HN 0.410 nan 8.290 nan 0.000 0.522 9 S N 0.408 116.159 115.700 0.085 0.000 2.558 9 S HA 0.298 4.768 4.470 0.001 0.000 0.288 9 S C 1.855 176.458 174.600 0.005 0.000 1.318 9 S CA 0.937 59.198 58.200 0.101 0.000 1.056 9 S CB 0.766 64.115 63.200 0.249 0.000 0.853 9 S HN 0.768 nan 8.310 nan 0.000 0.505 10 Q N 3.012 122.732 119.800 -0.135 0.000 2.436 10 Q HA -0.066 4.274 4.340 0.001 0.000 0.209 10 Q C 0.026 175.862 176.000 -0.272 0.000 0.965 10 Q CA 1.386 57.034 55.803 -0.258 0.000 0.910 10 Q CB -0.254 28.240 28.738 -0.407 0.000 0.980 10 Q HN 0.879 nan 8.270 nan 0.000 0.491 11 Y N 0.262 120.606 120.300 0.073 0.000 2.555 11 Y HA 0.280 4.831 4.550 0.001 0.000 0.259 11 Y C 1.750 177.699 175.900 0.080 0.000 1.179 11 Y CA -0.247 57.890 58.100 0.063 0.000 1.230 11 Y CB 0.358 38.845 38.460 0.044 0.000 1.146 11 Y HN 0.069 nan 8.280 nan 0.000 0.526 12 T N -0.128 114.531 114.554 0.176 0.000 2.684 12 T HA -0.227 4.123 4.350 0.001 0.000 0.267 12 T C 2.155 176.915 174.700 0.099 0.000 1.036 12 T CA 1.745 63.919 62.100 0.123 0.000 1.148 12 T CB -0.032 68.872 68.868 0.060 0.000 0.863 12 T HN 0.351 nan 8.240 nan 0.000 0.436 13 R N 0.284 120.836 120.500 0.087 0.000 2.081 13 R HA -0.060 4.281 4.340 0.001 0.000 0.235 13 R C 2.386 178.748 176.300 0.103 0.000 1.131 13 R CA 1.094 57.259 56.100 0.109 0.000 0.960 13 R CB -0.480 29.878 30.300 0.098 0.000 0.856 13 R HN 0.262 nan 8.270 nan 0.000 0.436 14 L N 1.366 122.652 121.223 0.104 0.000 2.042 14 L HA -0.156 4.185 4.340 0.001 0.000 0.210 14 L C 2.019 178.891 176.870 0.004 0.000 1.076 14 L CA 1.667 56.538 54.840 0.051 0.000 0.749 14 L CB -0.400 41.754 42.059 0.158 0.000 0.893 14 L HN 0.252 nan 8.230 nan 0.000 0.432 15 I N -0.672 119.934 120.570 0.061 0.000 2.208 15 I HA -0.328 3.842 4.170 0.001 0.000 0.245 15 I C 2.555 178.669 176.117 -0.004 0.000 1.097 15 I CA 1.235 62.557 61.300 0.037 0.000 1.363 15 I CB -0.660 37.383 38.000 0.070 0.000 1.051 15 I HN 0.361 nan 8.210 nan 0.000 0.413 16 A N 0.730 123.562 122.820 0.020 0.000 1.902 16 A HA -0.248 4.072 4.320 0.001 0.000 0.217 16 A C 2.464 180.007 177.584 -0.069 0.000 1.181 16 A CA 1.761 53.813 52.037 0.025 0.000 0.623 16 A CB -0.649 18.469 19.000 0.197 0.000 0.818 16 A HN 0.374 nan 8.150 nan 0.000 0.443 17 R N -0.958 119.386 120.500 -0.260 0.000 2.081 17 R HA -0.150 4.190 4.340 0.001 0.000 0.235 17 R C 2.214 178.322 176.300 -0.321 0.000 1.131 17 R CA 1.243 56.943 56.100 -0.666 0.000 0.960 17 R CB -0.217 29.463 30.300 -1.034 0.000 0.856 17 R HN 0.284 nan 8.270 nan 0.000 0.436 18 R N 0.619 121.012 120.500 -0.178 0.000 2.091 18 R HA -0.126 4.214 4.340 0.001 0.000 0.238 18 R C 2.188 178.453 176.300 -0.060 0.000 1.136 18 R CA 0.955 57.001 56.100 -0.089 0.000 0.959 18 R CB -1.028 29.247 30.300 -0.042 0.000 0.856 18 R HN 0.234 nan 8.270 nan 0.000 0.437 19 L N 1.022 122.207 121.223 -0.063 0.000 2.046 19 L HA -0.132 4.208 4.340 0.001 0.000 0.208 19 L C 2.395 179.244 176.870 -0.035 0.000 1.077 19 L CA 1.615 56.428 54.840 -0.045 0.000 0.747 19 L CB -0.704 41.312 42.059 -0.072 0.000 0.896 19 L HN 0.046 nan 8.230 nan 0.000 0.432 20 R N 0.206 120.666 120.500 -0.067 0.000 2.091 20 R HA -0.150 4.191 4.340 0.001 0.000 0.238 20 R C 1.969 178.348 176.300 0.132 0.000 1.136 20 R CA 1.214 57.337 56.100 0.038 0.000 0.959 20 R CB -0.790 29.543 30.300 0.056 0.000 0.856 20 R HN 0.544 nan 8.270 nan 0.000 0.437 21 E N 0.598 120.820 120.200 0.036 0.000 2.409 21 E HA -0.070 4.280 4.350 0.001 0.000 0.198 21 E C 1.221 177.850 176.600 0.049 0.000 1.024 21 E CA 0.461 56.885 56.400 0.040 0.000 0.861 21 E CB -0.015 29.683 29.700 -0.003 0.000 0.788 21 E HN 0.267 nan 8.360 nan 0.000 0.521 22 L N 0.652 121.904 121.223 0.049 0.000 2.741 22 L HA 0.202 4.543 4.340 0.001 0.000 0.237 22 L C -0.125 176.791 176.870 0.075 0.000 1.178 22 L CA -0.334 54.532 54.840 0.044 0.000 0.973 22 L CB 0.178 42.251 42.059 0.023 0.000 1.255 22 L HN 0.013 nan 8.230 nan 0.000 0.498 23 R N -0.694 119.887 120.500 0.136 0.000 3.525 23 R HA -0.167 4.174 4.340 0.001 0.000 0.276 23 R C -0.130 176.306 176.300 0.226 0.000 1.116 23 R CA 0.799 57.023 56.100 0.206 0.000 0.745 23 R CB -2.535 27.840 30.300 0.125 0.000 1.185 23 R HN 0.321 nan 8.270 nan 0.000 0.454 24 A N 0.513 123.445 122.820 0.187 0.000 2.374 24 A HA 0.657 4.977 4.320 0.001 0.000 0.305 24 A C -0.483 177.113 177.584 0.020 0.000 1.053 24 A CA -0.771 51.345 52.037 0.132 0.000 0.726 24 A CB 1.066 20.094 19.000 0.047 0.000 1.229 24 A HN 0.199 nan 8.150 nan 0.000 0.431 25 F N 3.137 123.004 119.950 -0.139 0.000 2.471 25 F HA 0.506 5.033 4.527 0.001 0.000 0.353 25 F C 0.730 176.333 175.800 -0.329 0.000 1.113 25 F CA 0.537 58.239 58.000 -0.497 0.000 1.262 25 F CB 0.985 39.746 39.000 -0.398 0.000 1.146 25 F HN 0.642 nan 8.300 nan 0.000 0.578 26 S N 6.661 121.560 115.700 -1.335 0.000 2.549 26 S HA 0.792 5.263 4.470 0.001 0.000 0.280 26 S C -1.432 172.493 174.600 -1.125 0.000 1.109 26 S CA -0.957 56.726 58.200 -0.862 0.000 0.905 26 S CB 1.873 64.822 63.200 -0.417 0.000 1.081 26 S HN 0.875 nan 8.310 nan 0.000 0.477 27 L N 2.012 122.875 121.223 -0.599 0.000 2.455 27 L HA 0.615 4.955 4.340 0.001 0.000 0.264 27 L C -1.641 175.137 176.870 -0.154 0.000 0.968 27 L CA -1.050 53.553 54.840 -0.394 0.000 0.827 27 L CB 1.804 43.633 42.059 -0.382 0.000 1.317 27 L HN 0.803 nan 8.230 nan 0.000 0.407 28 I N 4.667 125.248 120.570 0.018 0.000 2.353 28 I HA 0.412 4.582 4.170 0.001 0.000 0.293 28 I C -0.613 175.473 176.117 -0.052 0.000 0.992 28 I CA -0.368 60.921 61.300 -0.019 0.000 1.268 28 I CB 1.392 39.387 38.000 -0.008 0.000 1.387 28 I HN 0.361 nan 8.210 nan 0.000 0.478 29 L N 7.204 128.376 121.223 -0.085 0.000 2.370 29 L HA 0.529 4.869 4.340 0.001 0.000 0.266 29 L C -2.517 174.282 176.870 -0.119 0.000 1.002 29 L CA -2.094 52.699 54.840 -0.078 0.000 0.818 29 L CB 2.512 44.533 42.059 -0.065 0.000 1.325 29 L HN 0.234 nan 8.230 nan 0.000 0.418 30 P HA -0.008 nan 4.420 nan 0.000 0.265 30 P C 0.667 177.828 177.300 -0.233 0.000 1.193 30 P CA 0.190 63.203 63.100 -0.145 0.000 0.765 30 P CB 0.805 32.462 31.700 -0.072 0.000 0.823 31 G N 3.042 111.553 108.800 -0.483 0.000 2.475 31 G HA2 -0.253 3.707 3.960 0.001 0.000 0.220 31 G HA3 -0.253 3.707 3.960 0.001 0.000 0.220 31 G C 0.856 175.663 174.900 -0.155 0.000 1.125 31 G CA 0.697 45.317 45.100 -0.800 0.000 0.755 31 G HN 0.594 nan 8.290 nan 0.000 0.565 32 D N 0.908 121.293 120.400 -0.027 0.000 2.349 32 D HA 0.257 4.897 4.640 0.001 0.000 0.224 32 D C 1.357 177.668 176.300 0.019 0.000 1.029 32 D CA 0.386 54.420 54.000 0.058 0.000 0.879 32 D CB -0.398 40.449 40.800 0.077 0.000 0.906 32 D HN 0.291 nan 8.370 nan 0.000 0.528 33 A N 1.834 124.649 122.820 -0.008 0.000 2.587 33 A HA 0.191 4.511 4.320 0.001 0.000 0.235 33 A C -2.163 175.432 177.584 0.019 0.000 1.044 33 A CA -0.603 51.439 52.037 0.007 0.000 0.754 33 A CB -0.440 18.565 19.000 0.008 0.000 0.968 33 A HN 0.049 nan 8.150 nan 0.000 0.509 34 P HA 0.017 nan 4.420 nan 0.000 0.266 34 P C 1.103 178.419 177.300 0.027 0.000 1.195 34 P CA -0.347 62.765 63.100 0.020 0.000 0.768 34 P CB 0.442 32.154 31.700 0.019 0.000 0.838 35 L N 4.714 125.949 121.223 0.020 0.000 2.021 35 L HA -0.282 4.058 4.340 0.001 0.000 0.215 35 L C 1.971 178.862 176.870 0.036 0.000 1.074 35 L CA 2.289 57.146 54.840 0.028 0.000 0.760 35 L CB -1.186 40.884 42.059 0.018 0.000 0.889 35 L HN 0.447 nan 8.230 nan 0.000 0.433 36 E N -0.800 119.416 120.200 0.026 0.000 2.160 36 E HA -0.289 4.061 4.350 0.001 0.000 0.195 36 E C 1.993 178.607 176.600 0.023 0.000 0.991 36 E CA 1.668 58.081 56.400 0.021 0.000 0.810 36 E CB -0.662 29.045 29.700 0.012 0.000 0.742 36 E HN 0.750 nan 8.360 nan 0.000 0.466 37 E N 0.640 120.862 120.200 0.037 0.000 2.028 37 E HA -0.181 4.169 4.350 0.001 0.000 0.191 37 E C 2.179 178.853 176.600 0.124 0.000 0.988 37 E CA 1.343 57.777 56.400 0.056 0.000 0.799 37 E CB -0.084 29.660 29.700 0.073 0.000 0.755 37 E HN 0.229 nan 8.360 nan 0.000 0.447 38 V N 1.017 121.010 119.914 0.131 0.000 2.392 38 V HA -0.224 3.897 4.120 0.001 0.000 0.249 38 V C 2.020 178.219 176.094 0.175 0.000 1.059 38 V CA 1.704 64.109 62.300 0.174 0.000 1.051 38 V CB -0.351 31.536 31.823 0.107 0.000 0.658 38 V HN 0.330 nan 8.190 nan 0.000 0.455 39 L N 0.111 121.395 121.223 0.101 0.000 2.291 39 L HA -0.076 4.264 4.340 0.001 0.000 0.214 39 L C 2.618 179.513 176.870 0.041 0.000 1.120 39 L CA 1.719 56.603 54.840 0.073 0.000 0.799 39 L CB -0.752 41.336 42.059 0.048 0.000 0.925 39 L HN 0.434 nan 8.230 nan 0.000 0.446 40 K N 0.743 121.134 120.400 -0.014 0.000 2.074 40 K HA -0.238 4.082 4.320 0.001 0.000 0.209 40 K C 1.592 178.090 176.600 -0.170 0.000 1.048 40 K CA 1.920 58.122 56.287 -0.141 0.000 0.926 40 K CB -0.174 32.155 32.500 -0.285 0.000 0.713 40 K HN 0.408 nan 8.250 nan 0.000 0.444 41 H N 0.182 119.280 119.070 0.047 0.000 2.556 41 H HA 0.218 4.774 4.556 0.001 0.000 0.268 41 H C -0.224 175.139 175.328 0.059 0.000 0.996 41 H CA 0.391 56.474 56.048 0.059 0.000 1.157 41 H CB 0.035 29.840 29.762 0.072 0.000 1.355 41 H HN 0.189 nan 8.280 nan 0.000 0.597 42 R N 0.171 120.748 120.500 0.128 0.000 3.322 42 R HA -0.116 4.225 4.340 0.001 0.000 0.253 42 R C -2.499 173.865 176.300 0.106 0.000 0.987 42 R CA 0.198 56.355 56.100 0.096 0.000 0.666 42 R CB -1.697 28.646 30.300 0.072 0.000 1.072 42 R HN 0.420 nan 8.270 nan 0.000 0.447 43 P HA -0.067 nan 4.420 nan 0.000 0.268 43 P C -0.002 177.341 177.300 0.071 0.000 1.204 43 P CA 0.296 63.453 63.100 0.097 0.000 0.768 43 P CB 0.720 32.478 31.700 0.097 0.000 0.842 44 Q N 1.171 121.002 119.800 0.050 0.000 2.403 44 Q HA 0.352 4.692 4.340 0.001 0.000 0.203 44 Q C 0.494 176.498 176.000 0.007 0.000 0.932 44 Q CA 0.256 56.071 55.803 0.020 0.000 0.945 44 Q CB 0.354 29.090 28.738 -0.002 0.000 1.045 44 Q HN 0.624 nan 8.270 nan 0.000 0.511 45 A N 0.392 123.242 122.820 0.049 0.000 2.567 45 A HA 0.628 4.949 4.320 0.001 0.000 0.291 45 A C -1.959 175.732 177.584 0.179 0.000 1.048 45 A CA -0.753 51.347 52.037 0.106 0.000 0.661 45 A CB 0.785 19.777 19.000 -0.014 0.000 1.288 45 A HN 0.132 nan 8.150 nan 0.000 0.424 46 L N 0.701 122.086 121.223 0.270 0.000 2.370 46 L HA 0.713 5.054 4.340 0.001 0.000 0.266 46 L C -0.940 176.051 176.870 0.201 0.000 1.002 46 L CA -0.565 54.399 54.840 0.206 0.000 0.818 46 L CB 2.187 44.361 42.059 0.191 0.000 1.325 46 L HN 0.637 nan 8.230 nan 0.000 0.418 47 I N 3.166 123.812 120.570 0.126 0.000 2.447 47 I HA 0.362 4.533 4.170 0.001 0.000 0.287 47 I C -0.837 175.342 176.117 0.104 0.000 1.023 47 I CA -0.498 60.835 61.300 0.055 0.000 1.083 47 I CB 2.135 40.156 38.000 0.035 0.000 1.245 47 I HN 0.344 nan 8.210 nan 0.000 0.434 48 L N 5.784 127.088 121.223 0.136 0.000 2.257 48 L HA 0.349 4.690 4.340 0.001 0.000 0.290 48 L C 0.786 177.831 176.870 0.291 0.000 1.044 48 L CA -0.328 54.706 54.840 0.324 0.000 0.810 48 L CB 1.310 43.590 42.059 0.370 0.000 1.193 48 L HN 0.679 nan 8.230 nan 0.000 0.425 49 S N 2.387 118.303 115.700 0.361 0.000 2.617 49 S HA 0.496 4.966 4.470 0.001 0.000 0.259 49 S C 0.524 175.368 174.600 0.406 0.000 1.301 49 S CA -0.181 58.204 58.200 0.308 0.000 0.984 49 S CB 1.430 64.773 63.200 0.238 0.000 0.954 49 S HN 0.638 nan 8.310 nan 0.000 0.572 50 G N -0.756 108.245 108.800 0.334 0.000 2.535 50 G HA2 0.614 4.574 3.960 0.001 0.000 0.282 50 G HA3 0.614 4.574 3.960 0.001 0.000 0.282 50 G C 0.125 175.201 174.900 0.293 0.000 1.350 50 G CA -0.538 44.767 45.100 0.341 0.000 1.039 50 G HN 1.364 nan 8.290 nan 0.000 0.509 51 G N -1.935 106.942 108.800 0.129 0.000 2.632 51 G HA2 0.553 4.514 3.960 0.001 0.000 0.292 51 G HA3 0.553 4.514 3.960 0.001 0.000 0.292 51 G C -1.924 172.889 174.900 -0.144 0.000 1.465 51 G CA -0.203 44.844 45.100 -0.088 0.000 0.824 51 G HN 0.366 nan 8.290 nan 0.000 0.509 52 P HA -0.029 nan 4.420 nan 0.000 0.223 52 P C 0.635 177.851 177.300 -0.139 0.000 1.151 52 P CA 0.444 63.479 63.100 -0.108 0.000 0.787 52 P CB 0.519 32.171 31.700 -0.080 0.000 0.788 53 R N -0.083 120.275 120.500 -0.237 0.000 2.580 53 R HA 0.452 4.792 4.340 0.001 0.000 0.267 53 R C 0.619 176.825 176.300 -0.158 0.000 1.125 53 R CA -0.347 55.637 56.100 -0.194 0.000 1.188 53 R CB 0.340 30.519 30.300 -0.201 0.000 1.155 53 R HN 0.002 nan 8.270 nan 0.000 0.586 54 S N -0.454 115.238 115.700 -0.013 0.000 2.593 54 S HA 0.140 4.610 4.470 0.001 0.000 0.297 54 S C 1.309 175.965 174.600 0.092 0.000 1.112 54 S CA -0.883 57.343 58.200 0.043 0.000 1.043 54 S CB 1.536 64.773 63.200 0.062 0.000 1.054 54 S HN 0.470 nan 8.310 nan 0.000 0.516 55 V N 2.591 122.462 119.914 -0.072 0.000 2.594 55 V HA -0.025 4.095 4.120 0.001 0.000 0.253 55 V C 1.641 177.649 176.094 -0.145 0.000 1.069 55 V CA 1.547 63.746 62.300 -0.170 0.000 1.082 55 V CB -1.459 30.099 31.823 -0.442 0.000 0.680 55 V HN 0.786 nan 8.190 nan 0.000 0.469 56 F N 1.045 121.024 119.950 0.048 0.000 2.113 56 F HA 0.113 4.640 4.527 0.001 0.000 0.297 56 F C 1.494 177.312 175.800 0.030 0.000 1.103 56 F CA 0.506 58.520 58.000 0.024 0.000 1.248 56 F CB -0.926 38.083 39.000 0.014 0.000 0.999 56 F HN 0.195 nan 8.300 nan 0.000 0.475 57 D N 3.072 123.603 120.400 0.219 0.000 2.662 57 D HA -0.099 4.541 4.640 0.001 0.000 0.233 57 D C -1.450 174.911 176.300 0.103 0.000 1.129 57 D CA -0.662 53.416 54.000 0.130 0.000 0.851 57 D CB 1.109 41.961 40.800 0.087 0.000 1.152 57 D HN 0.063 nan 8.370 nan 0.000 0.507 58 P HA -0.153 nan 4.420 nan 0.000 0.215 58 P C 0.714 178.050 177.300 0.059 0.000 1.153 58 P CA 0.938 64.077 63.100 0.065 0.000 0.853 58 P CB 0.361 32.091 31.700 0.050 0.000 0.788 59 D N 0.497 120.928 120.400 0.051 0.000 2.219 59 D HA -0.005 4.635 4.640 0.001 0.000 0.205 59 D C 1.026 177.361 176.300 0.059 0.000 0.970 59 D CA 0.518 54.546 54.000 0.046 0.000 0.851 59 D CB -0.566 40.253 40.800 0.032 0.000 0.943 59 D HN 0.145 nan 8.370 nan 0.000 0.488 60 A N 3.172 126.032 122.820 0.068 0.000 2.573 60 A HA 0.073 4.394 4.320 0.001 0.000 0.250 60 A C -1.937 175.740 177.584 0.155 0.000 1.049 60 A CA -0.635 51.456 52.037 0.091 0.000 0.767 60 A CB -0.255 18.826 19.000 0.135 0.000 0.965 60 A HN 0.021 nan 8.150 nan 0.000 0.514 61 P HA 0.192 nan 4.420 nan 0.000 0.269 61 P C -0.773 176.732 177.300 0.342 0.000 1.209 61 P CA 0.184 63.447 63.100 0.271 0.000 0.776 61 P CB 0.620 32.516 31.700 0.326 0.000 0.876 62 R N 2.339 122.997 120.500 0.263 0.000 2.771 62 R HA 0.625 4.965 4.340 0.001 0.000 0.274 62 R C -2.919 173.515 176.300 0.223 0.000 0.987 62 R CA -2.479 53.719 56.100 0.165 0.000 0.908 62 R CB 0.514 30.827 30.300 0.022 0.000 1.213 62 R HN 0.266 nan 8.270 nan 0.000 0.468 63 P HA 0.020 nan 4.420 nan 0.000 0.277 63 P C -0.656 176.597 177.300 -0.078 0.000 1.271 63 P CA -0.286 62.866 63.100 0.087 0.000 0.795 63 P CB 0.549 32.266 31.700 0.028 0.000 1.101 64 D N 0.566 120.919 120.400 -0.077 0.000 2.450 64 D HA 0.014 4.655 4.640 0.001 0.000 0.247 64 D C -1.389 174.807 176.300 -0.173 0.000 1.162 64 D CA -1.377 52.572 54.000 -0.085 0.000 0.879 64 D CB 0.462 41.235 40.800 -0.045 0.000 1.163 64 D HN 0.076 nan 8.370 nan 0.000 0.472 65 P HA -0.120 nan 4.420 nan 0.000 0.220 65 P C 0.740 177.963 177.300 -0.129 0.000 1.144 65 P CA 1.100 64.110 63.100 -0.150 0.000 0.800 65 P CB 0.197 31.850 31.700 -0.077 0.000 0.772 66 R N -1.831 118.616 120.500 -0.088 0.000 2.317 66 R HA 0.146 4.487 4.340 0.001 0.000 0.208 66 R C 1.745 178.031 176.300 -0.024 0.000 0.914 66 R CA -0.112 55.965 56.100 -0.037 0.000 1.060 66 R CB -0.557 29.737 30.300 -0.010 0.000 1.015 66 R HN 0.205 nan 8.270 nan 0.000 0.498 67 L N 0.509 121.674 121.223 -0.097 0.000 2.005 67 L HA -0.069 4.272 4.340 0.001 0.000 0.207 67 L C 1.372 178.338 176.870 0.159 0.000 1.072 67 L CA 1.782 56.609 54.840 -0.023 0.000 0.744 67 L CB -0.309 41.677 42.059 -0.121 0.000 0.895 67 L HN -0.010 nan 8.230 nan 0.000 0.433 68 F N -0.756 119.232 119.950 0.064 0.000 2.722 68 F HA 0.032 4.559 4.527 0.001 0.000 0.298 68 F C 2.178 178.021 175.800 0.072 0.000 1.175 68 F CA 0.435 58.479 58.000 0.074 0.000 1.462 68 F CB -1.431 37.605 39.000 0.060 0.000 1.111 68 F HN 0.117 nan 8.300 nan 0.000 0.592 69 S N -1.414 114.409 115.700 0.205 0.000 2.540 69 S HA -0.027 4.443 4.470 0.001 0.000 0.222 69 S C 1.997 176.661 174.600 0.107 0.000 1.008 69 S CA 0.512 58.793 58.200 0.136 0.000 0.939 69 S CB 0.013 63.267 63.200 0.089 0.000 0.865 69 S HN 0.390 nan 8.310 nan 0.000 0.499 70 S N 1.570 117.340 115.700 0.117 0.000 2.442 70 S HA 0.106 4.577 4.470 0.001 0.000 0.236 70 S C 1.779 176.431 174.600 0.086 0.000 1.007 70 S CA 1.102 59.358 58.200 0.093 0.000 0.965 70 S CB -0.634 62.626 63.200 0.101 0.000 0.773 70 S HN 0.871 nan 8.310 nan 0.000 0.504 71 G N 0.554 109.414 108.800 0.099 0.000 2.141 71 G HA2 -0.212 3.748 3.960 0.001 0.000 0.242 71 G HA3 -0.212 3.748 3.960 0.001 0.000 0.242 71 G C -0.093 174.852 174.900 0.074 0.000 0.982 71 G CA 0.220 45.365 45.100 0.075 0.000 0.662 71 G HN 0.548 nan 8.290 nan 0.000 0.527 72 L N 1.030 122.313 121.223 0.101 0.000 2.349 72 L HA 0.357 4.697 4.340 0.001 0.000 0.275 72 L C -1.676 175.271 176.870 0.129 0.000 1.115 72 L CA -2.003 52.900 54.840 0.105 0.000 0.820 72 L CB 0.949 43.083 42.059 0.124 0.000 1.135 72 L HN -0.114 nan 8.230 nan 0.000 0.445 73 P HA 0.095 nan 4.420 nan 0.000 0.264 73 P C -1.027 176.499 177.300 0.377 0.000 1.193 73 P CA 0.424 63.642 63.100 0.196 0.000 0.763 73 P CB 0.450 32.175 31.700 0.042 0.000 0.810 74 L N 3.157 124.616 121.223 0.394 0.000 2.388 74 L HA 0.649 4.990 4.340 0.001 0.000 0.264 74 L C -0.689 176.159 176.870 -0.036 0.000 0.998 74 L CA -1.089 53.898 54.840 0.245 0.000 0.817 74 L CB 2.061 44.186 42.059 0.111 0.000 1.338 74 L HN 0.184 nan 8.230 nan 0.000 0.414 75 L N 1.468 122.493 121.223 -0.330 0.000 2.404 75 L HA 0.779 5.119 4.340 0.001 0.000 0.272 75 L C -0.337 176.375 176.870 -0.265 0.000 0.980 75 L CA 0.094 54.588 54.840 -0.578 0.000 0.836 75 L CB 1.787 43.097 42.059 -1.248 0.000 1.238 75 L HN 0.565 nan 8.230 nan 0.000 0.408 76 G N 5.893 114.580 108.800 -0.189 0.000 2.335 76 G HA2 0.613 4.574 3.960 0.001 0.000 0.316 76 G HA3 0.613 4.574 3.960 0.001 0.000 0.316 76 G C -0.852 173.943 174.900 -0.175 0.000 1.129 76 G CA -0.416 44.604 45.100 -0.133 0.000 0.899 76 G HN 0.590 nan 8.290 nan 0.000 0.448 77 I N 2.507 122.994 120.570 -0.138 0.000 2.354 77 I HA 0.205 4.375 4.170 0.001 0.000 0.286 77 I C 0.810 176.822 176.117 -0.175 0.000 1.007 77 I CA -0.395 60.778 61.300 -0.212 0.000 1.167 77 I CB 0.870 38.761 38.000 -0.182 0.000 1.320 77 I HN 0.687 nan 8.210 nan 0.000 0.458 78 C N 4.247 123.416 119.300 -0.218 0.000 1.976 78 C HA -0.385 4.076 4.460 0.001 0.000 0.111 78 C C 2.038 177.007 174.990 -0.035 0.000 0.830 78 C CA 1.214 60.163 59.018 -0.115 0.000 0.873 78 C CB -1.703 25.972 27.740 -0.109 0.000 3.215 78 C HN 0.849 nan 8.230 nan 0.000 1.057 79 Y N 2.681 122.928 120.300 -0.088 0.000 2.132 79 Y HA -0.168 4.382 4.550 0.001 0.000 0.280 79 Y C 2.177 177.962 175.900 -0.192 0.000 1.193 79 Y CA 3.053 61.076 58.100 -0.129 0.000 1.157 79 Y CB -1.063 37.347 38.460 -0.083 0.000 0.966 79 Y HN 0.652 nan 8.280 nan 0.000 0.511 80 G N -0.221 108.516 108.800 -0.104 0.000 2.440 80 G HA2 -0.338 3.622 3.960 0.001 0.000 0.218 80 G HA3 -0.338 3.622 3.960 0.001 0.000 0.218 80 G C 1.793 176.556 174.900 -0.228 0.000 1.154 80 G CA 1.014 46.010 45.100 -0.174 0.000 0.767 80 G HN 0.520 nan 8.290 nan 0.000 0.552 81 M N 0.048 119.533 119.600 -0.191 0.000 2.117 81 M HA -0.098 4.383 4.480 0.001 0.000 0.262 81 M C 2.755 178.917 176.300 -0.230 0.000 1.065 81 M CA 1.605 56.797 55.300 -0.179 0.000 1.114 81 M CB -0.144 32.372 32.600 -0.140 0.000 1.361 81 M HN 0.283 nan 8.290 nan 0.000 0.408 82 Q N 0.153 119.797 119.800 -0.260 0.000 2.170 82 Q HA -0.147 4.193 4.340 0.001 0.000 0.203 82 Q C 1.997 177.776 176.000 -0.368 0.000 0.976 82 Q CA 1.333 56.957 55.803 -0.297 0.000 0.858 82 Q CB -0.219 28.340 28.738 -0.298 0.000 0.907 82 Q HN 0.560 nan 8.270 nan 0.000 0.433 83 L N 0.131 121.083 121.223 -0.452 0.000 2.093 83 L HA -0.176 4.165 4.340 0.001 0.000 0.208 83 L C 2.215 178.955 176.870 -0.216 0.000 1.085 83 L CA 0.859 55.478 54.840 -0.369 0.000 0.755 83 L CB -0.332 41.484 42.059 -0.405 0.000 0.904 83 L HN 0.269 nan 8.230 nan 0.000 0.435 84 L N -0.526 120.479 121.223 -0.363 0.000 2.056 84 L HA -0.178 4.163 4.340 0.001 0.000 0.207 84 L C 2.872 179.431 176.870 -0.518 0.000 1.078 84 L CA 1.170 55.683 54.840 -0.545 0.000 0.749 84 L CB -0.720 41.052 42.059 -0.477 0.000 0.901 84 L HN 0.234 nan 8.230 nan 0.000 0.433 85 A N -0.452 122.114 122.820 -0.422 0.000 1.855 85 A HA -0.265 4.056 4.320 0.001 0.000 0.215 85 A C 2.272 179.683 177.584 -0.288 0.000 1.191 85 A CA 1.714 53.515 52.037 -0.392 0.000 0.613 85 A CB -0.627 18.210 19.000 -0.273 0.000 0.829 85 A HN 0.470 nan 8.150 nan 0.000 0.442 86 Q N -0.150 119.512 119.800 -0.231 0.000 2.084 86 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 86 Q C 1.207 177.139 176.000 -0.114 0.000 0.978 86 Q CA 1.812 57.517 55.803 -0.163 0.000 0.844 86 Q CB -0.131 28.496 28.738 -0.185 0.000 0.898 86 Q HN 0.784 nan 8.270 nan 0.000 0.426 87 E N -0.438 119.713 120.200 -0.081 0.000 2.463 87 E HA 0.068 4.419 4.350 0.001 0.000 0.193 87 E C 0.715 177.317 176.600 0.002 0.000 1.041 87 E CA -0.030 56.373 56.400 0.005 0.000 0.879 87 E CB 0.541 30.320 29.700 0.131 0.000 0.997 87 E HN 0.369 nan 8.360 nan 0.000 0.478 88 L N -0.956 120.190 121.223 -0.127 0.000 3.135 88 L HA 0.378 4.718 4.340 0.001 0.000 0.279 88 L C 1.128 177.868 176.870 -0.216 0.000 1.200 88 L CA 0.048 54.787 54.840 -0.168 0.000 1.016 88 L CB 1.136 43.010 42.059 -0.308 0.000 1.391 88 L HN 0.233 nan 8.230 nan 0.000 0.588 89 G N -0.411 108.277 108.800 -0.187 0.000 2.260 89 G HA2 -0.162 3.798 3.960 0.001 0.000 0.179 89 G HA3 -0.162 3.798 3.960 0.001 0.000 0.179 89 G C 0.503 175.303 174.900 -0.166 0.000 1.002 89 G CA -0.370 44.636 45.100 -0.156 0.000 0.677 89 G HN 0.416 nan 8.290 nan 0.000 0.486 90 G N -0.431 108.236 108.800 -0.222 0.000 2.525 90 G HA2 0.599 4.559 3.960 0.001 0.000 0.287 90 G HA3 0.599 4.559 3.960 0.001 0.000 0.287 90 G C -0.380 174.452 174.900 -0.113 0.000 1.350 90 G CA -0.587 44.405 45.100 -0.181 0.000 1.039 90 G HN 0.300 nan 8.290 nan 0.000 0.513 91 R N -0.862 119.589 120.500 -0.082 0.000 2.480 91 R HA 0.517 4.857 4.340 0.001 0.000 0.306 91 R C -1.294 174.991 176.300 -0.025 0.000 0.958 91 R CA -0.622 55.459 56.100 -0.033 0.000 0.861 91 R CB 1.625 31.919 30.300 -0.009 0.000 1.171 91 R HN 0.253 nan 8.270 nan 0.000 0.445 92 V N 2.990 122.907 119.914 0.005 0.000 2.540 92 V HA 0.418 4.538 4.120 0.001 0.000 0.302 92 V C 0.284 176.501 176.094 0.205 0.000 1.035 92 V CA -0.763 61.529 62.300 -0.014 0.000 0.873 92 V CB 2.147 33.854 31.823 -0.194 0.000 0.992 92 V HN 0.643 nan 8.190 nan 0.000 0.428 93 E N 2.843 123.177 120.200 0.223 0.000 2.390 93 E HA 0.608 4.958 4.350 0.001 0.000 0.249 93 E C -0.627 176.271 176.600 0.496 0.000 0.981 93 E CA -1.095 55.550 56.400 0.410 0.000 0.860 93 E CB 2.041 31.842 29.700 0.167 0.000 1.278 93 E HN 0.509 nan 8.360 nan 0.000 0.416 94 R N 0.008 120.756 120.500 0.413 0.000 2.532 94 R HA 0.693 5.033 4.340 0.001 0.000 0.295 94 R C -1.329 175.061 176.300 0.151 0.000 0.968 94 R CA -0.139 56.180 56.100 0.366 0.000 0.916 94 R CB 1.356 31.808 30.300 0.254 0.000 1.124 94 R HN 0.555 nan 8.270 nan 0.000 0.463 101 G N 0.391 108.472 108.800 -1.198 0.000 2.655 101 G HA2 0.544 4.504 3.960 0.001 0.000 0.296 101 G HA3 0.544 4.504 3.960 0.001 0.000 0.296 101 G C -2.218 172.438 174.900 -0.406 0.000 1.485 101 G CA -1.319 43.390 45.100 -0.652 0.000 0.869 101 G HN 0.392 nan 8.290 nan 0.000 0.540 102 K N -0.051 120.373 120.400 0.040 0.000 2.218 102 K HA 0.712 5.033 4.320 0.001 0.000 0.276 102 K C 0.058 176.742 176.600 0.140 0.000 1.022 102 K CA -0.040 56.389 56.287 0.237 0.000 0.946 102 K CB 1.740 34.434 32.500 0.323 0.000 1.000 102 K HN 0.843 nan 8.250 nan 0.000 0.468 103 A N 2.234 125.126 122.820 0.119 0.000 2.594 103 A HA 0.565 4.885 4.320 0.001 0.000 0.295 103 A C -1.828 175.777 177.584 0.035 0.000 1.071 103 A CA -0.811 51.276 52.037 0.083 0.000 0.685 103 A CB 0.909 19.973 19.000 0.105 0.000 1.285 103 A HN 0.406 nan 8.150 nan 0.000 0.405 104 L N 0.997 122.234 121.223 0.023 0.000 2.322 104 L HA 0.510 4.850 4.340 0.001 0.000 0.279 104 L C -0.189 176.676 176.870 -0.008 0.000 1.036 104 L CA -0.081 54.758 54.840 -0.003 0.000 0.807 104 L CB 1.336 43.401 42.059 0.011 0.000 1.226 104 L HN 0.616 nan 8.230 nan 0.000 0.433 105 L N 2.534 123.741 121.223 -0.026 0.000 2.315 105 L HA 0.224 4.564 4.340 0.001 0.000 0.283 105 L C 1.301 178.196 176.870 0.043 0.000 1.089 105 L CA -0.232 54.609 54.840 0.001 0.000 0.833 105 L CB 0.855 42.898 42.059 -0.028 0.000 1.170 105 L HN 0.839 nan 8.230 nan 0.000 0.442 106 T N 0.037 114.585 114.554 -0.009 0.000 3.055 106 T HA -0.016 4.335 4.350 0.001 0.000 0.265 106 T C 0.794 175.415 174.700 -0.130 0.000 1.111 106 T CA 0.335 62.409 62.100 -0.044 0.000 1.118 106 T CB 0.131 68.980 68.868 -0.033 0.000 0.909 106 T HN 0.549 nan 8.240 nan 0.000 0.501 107 R N 0.764 121.165 120.500 -0.165 0.000 2.626 107 R HA 0.470 4.811 4.340 0.001 0.000 0.274 107 R C -1.987 174.101 176.300 -0.355 0.000 1.031 107 R CA -0.778 55.140 56.100 -0.303 0.000 0.898 107 R CB 1.175 31.377 30.300 -0.163 0.000 1.222 107 R HN 0.644 nan 8.270 nan 0.000 0.455 108 H N 0.890 119.765 119.070 -0.324 0.000 3.139 108 H HA 0.366 4.923 4.556 0.001 0.000 0.322 108 H C -1.448 173.687 175.328 -0.321 0.000 1.345 108 H CA -0.983 54.647 56.048 -0.696 0.000 1.637 108 H CB 0.661 29.797 29.762 -1.043 0.000 1.959 108 H HN 0.533 nan 8.280 nan 0.000 0.586 109 E N 2.170 122.358 120.200 -0.019 0.000 2.355 109 E HA 0.783 5.134 4.350 0.001 0.000 0.261 109 E C 0.469 177.259 176.600 0.317 0.000 0.943 109 E CA 0.213 56.700 56.400 0.145 0.000 0.806 109 E CB 1.797 31.529 29.700 0.054 0.000 1.286 109 E HN 1.220 nan 8.360 nan 0.000 0.424 110 G N 1.330 110.271 108.800 0.234 0.000 2.663 110 G HA2 -0.119 3.842 3.960 0.001 0.000 0.686 110 G HA3 -0.119 3.842 3.960 0.001 0.000 0.686 110 G C -2.017 172.991 174.900 0.180 0.000 1.288 110 G CA -0.338 44.894 45.100 0.221 0.000 0.836 110 G HN 0.508 nan 8.290 nan 0.000 0.584 111 P HA -0.018 nan 4.420 nan 0.000 0.225 111 P C 1.934 179.179 177.300 -0.092 0.000 1.148 111 P CA 0.875 63.992 63.100 0.030 0.000 0.779 111 P CB 0.210 31.933 31.700 0.039 0.000 0.780 112 L N -1.723 119.375 121.223 -0.209 0.000 2.376 112 L HA 0.116 4.456 4.340 0.001 0.000 0.219 112 L C 1.337 177.871 176.870 -0.561 0.000 1.133 112 L CA 1.471 56.000 54.840 -0.519 0.000 0.816 112 L CB -0.766 40.811 42.059 -0.803 0.000 0.933 112 L HN -0.225 nan 8.230 nan 0.000 0.449 113 F N -0.908 119.047 119.950 0.008 0.000 2.683 113 F HA 0.338 4.865 4.527 0.001 0.000 0.306 113 F C 0.949 176.769 175.800 0.034 0.000 1.102 113 F CA -0.677 57.345 58.000 0.038 0.000 1.244 113 F CB -0.126 38.941 39.000 0.112 0.000 1.029 113 F HN -0.244 nan 8.300 nan 0.000 0.545 114 R N 0.166 120.740 120.500 0.124 0.000 2.570 114 R HA 0.336 4.676 4.340 0.001 0.000 0.277 114 R C 1.416 177.755 176.300 0.065 0.000 1.039 114 R CA 1.040 57.193 56.100 0.089 0.000 1.065 114 R CB -0.007 30.319 30.300 0.043 0.000 0.964 114 R HN 0.443 nan 8.270 nan 0.000 0.428 115 G N 2.047 110.885 108.800 0.062 0.000 2.179 115 G HA2 -0.271 3.689 3.960 0.001 0.000 0.260 115 G HA3 -0.271 3.689 3.960 0.001 0.000 0.260 115 G C 0.330 175.252 174.900 0.035 0.000 0.977 115 G CA -0.033 45.090 45.100 0.038 0.000 0.641 115 G HN 0.481 nan 8.290 nan 0.000 0.533 116 L N 1.022 122.279 121.223 0.057 0.000 2.741 116 L HA 0.439 4.780 4.340 0.001 0.000 0.237 116 L C 0.960 177.808 176.870 -0.036 0.000 1.178 116 L CA -0.152 54.690 54.840 0.003 0.000 0.973 116 L CB 0.352 42.423 42.059 0.020 0.000 1.255 116 L HN 0.158 nan 8.230 nan 0.000 0.498 117 E N 0.455 120.686 120.200 0.052 0.000 2.508 117 E HA 0.358 4.708 4.350 0.001 0.000 0.266 117 E C 1.054 177.688 176.600 0.058 0.000 1.010 117 E CA 1.268 57.731 56.400 0.104 0.000 0.955 117 E CB -0.014 29.735 29.700 0.081 0.000 0.946 117 E HN 0.302 nan 8.360 nan 0.000 0.454 118 G N 1.606 110.470 108.800 0.107 0.000 2.445 118 G HA2 -0.251 3.710 3.960 0.001 0.000 0.212 118 G HA3 -0.251 3.710 3.960 0.001 0.000 0.212 118 G C -0.616 174.322 174.900 0.064 0.000 1.217 118 G CA -0.192 44.944 45.100 0.061 0.000 1.002 118 G HN 0.680 nan 8.290 nan 0.000 0.574 119 E N -0.426 119.782 120.200 0.013 0.000 2.289 119 E HA 0.492 4.842 4.350 0.001 0.000 0.278 119 E C -0.532 176.023 176.600 -0.075 0.000 1.032 119 E CA -0.478 55.920 56.400 -0.003 0.000 0.854 119 E CB 1.079 30.776 29.700 -0.006 0.000 1.046 119 E HN 0.580 nan 8.360 nan 0.000 0.409 120 V N 6.044 125.891 119.914 -0.113 0.000 2.320 120 V HA 0.103 4.223 4.120 0.001 0.000 0.268 120 V C -0.149 175.857 176.094 -0.147 0.000 1.021 120 V CA -0.610 61.573 62.300 -0.195 0.000 0.813 120 V CB 0.939 32.517 31.823 -0.408 0.000 1.054 120 V HN 0.710 nan 8.190 nan 0.000 0.444 121 Q N 3.665 123.408 119.800 -0.095 0.000 2.314 121 Q HA 0.587 4.927 4.340 0.001 0.000 0.258 121 Q C -0.636 175.312 176.000 -0.088 0.000 0.954 121 Q CA -0.215 55.556 55.803 -0.054 0.000 0.890 121 Q CB 1.789 30.526 28.738 -0.000 0.000 1.210 121 Q HN 0.700 nan 8.270 nan 0.000 0.410 122 V N 1.189 121.055 119.914 -0.079 0.000 2.962 122 V HA 0.510 4.630 4.120 0.001 0.000 0.313 122 V C -1.135 175.085 176.094 0.211 0.000 1.099 122 V CA -1.123 61.119 62.300 -0.096 0.000 0.971 122 V CB 1.808 33.251 31.823 -0.634 0.000 1.028 122 V HN 1.003 nan 8.190 nan 0.000 0.430 123 W N 5.727 127.070 121.300 0.073 0.000 2.228 123 W HA 0.425 5.085 4.660 0.001 0.000 0.364 123 W C -0.461 176.190 176.519 0.219 0.000 0.917 123 W CA -0.977 56.420 57.345 0.087 0.000 1.513 123 W CB 1.235 30.696 29.460 0.003 0.000 1.494 123 W HN 0.594 nan 8.180 nan 0.000 0.346 124 M N 2.629 122.248 119.600 0.032 0.000 2.245 124 M HA -0.034 4.447 4.480 0.001 0.000 0.330 124 M C 0.455 176.679 176.300 -0.126 0.000 1.098 124 M CA 0.608 55.921 55.300 0.022 0.000 1.172 124 M CB 1.146 33.755 32.600 0.014 0.000 1.467 124 M HN 0.217 nan 8.290 nan 0.000 0.454 125 S N 1.003 116.733 115.700 0.050 0.000 2.532 125 S HA 0.283 4.753 4.470 0.001 0.000 0.318 125 S C 0.546 175.159 174.600 0.021 0.000 1.083 125 S CA -0.527 57.705 58.200 0.053 0.000 1.131 125 S CB -0.179 63.135 63.200 0.190 0.000 0.973 125 S HN 0.661 nan 8.310 nan 0.000 0.468 126 H N 1.987 121.024 119.070 -0.055 0.000 2.563 126 H HA 0.097 4.653 4.556 0.001 0.000 0.272 126 H C 1.074 176.377 175.328 -0.042 0.000 1.005 126 H CA 0.089 56.107 56.048 -0.050 0.000 1.171 126 H CB 0.327 30.041 29.762 -0.079 0.000 1.351 126 H HN 0.531 nan 8.280 nan 0.000 0.602 127 Q N 2.135 121.966 119.800 0.052 0.000 2.288 127 Q HA 0.032 4.373 4.340 0.001 0.000 0.258 127 Q C -0.566 175.459 176.000 0.041 0.000 0.957 127 Q CA -0.523 55.298 55.803 0.031 0.000 0.919 127 Q CB 0.521 29.255 28.738 -0.006 0.000 1.185 127 Q HN 0.339 nan 8.270 nan 0.000 0.408 128 D N 0.592 121.023 120.400 0.052 0.000 4.136 128 D HA -0.213 4.427 4.640 0.001 0.000 0.291 128 D C -1.138 175.187 176.300 0.042 0.000 2.238 128 D CA 1.157 55.185 54.000 0.046 0.000 1.141 128 D CB -0.818 39.953 40.800 -0.049 0.000 1.027 128 D HN 0.833 nan 8.370 nan 0.000 1.223 129 A N -1.286 121.549 122.820 0.025 0.000 2.583 129 A HA 0.512 4.832 4.320 0.001 0.000 0.292 129 A C -1.212 176.370 177.584 -0.004 0.000 1.045 129 A CA -0.398 51.649 52.037 0.016 0.000 0.672 129 A CB 1.334 20.357 19.000 0.038 0.000 1.283 129 A HN 0.471 nan 8.150 nan 0.000 0.419 130 V N 2.142 122.047 119.914 -0.014 0.000 2.385 130 V HA 0.361 4.481 4.120 0.001 0.000 0.269 130 V C 1.405 177.496 176.094 -0.004 0.000 1.043 130 V CA 0.729 63.011 62.300 -0.031 0.000 0.906 130 V CB 0.684 32.477 31.823 -0.050 0.000 0.995 130 V HN 1.180 nan 8.190 nan 0.000 0.467 131 T N 1.197 115.750 114.554 -0.001 0.000 3.065 131 T HA 0.493 4.844 4.350 0.001 0.000 0.252 131 T C 0.485 175.184 174.700 -0.002 0.000 1.099 131 T CA 0.527 62.632 62.100 0.007 0.000 1.063 131 T CB 0.410 69.287 68.868 0.015 0.000 0.948 131 T HN 0.890 nan 8.240 nan 0.000 0.506 132 A N 2.056 124.864 122.820 -0.020 0.000 2.540 132 A HA 0.722 5.042 4.320 0.001 0.000 0.297 132 A C -3.161 174.383 177.584 -0.066 0.000 1.056 132 A CA -1.646 50.373 52.037 -0.029 0.000 0.700 132 A CB 1.733 20.715 19.000 -0.030 0.000 1.280 132 A HN 0.069 nan 8.150 nan 0.000 0.398 133 P HA 0.542 nan 4.420 nan 0.000 0.280 133 P C -2.840 174.331 177.300 -0.215 0.000 1.272 133 P CA -1.825 61.207 63.100 -0.113 0.000 0.819 133 P CB 0.199 31.922 31.700 0.037 0.000 1.122 134 P HA 0.121 nan 4.420 nan 0.000 0.269 134 P C -2.087 175.079 177.300 -0.223 0.000 1.215 134 P CA -0.906 61.860 63.100 -0.557 0.000 0.780 134 P CB -1.207 29.736 31.700 -1.262 0.000 0.898 135 P HA -0.068 nan 4.420 nan 0.000 0.263 135 P C 0.825 178.212 177.300 0.145 0.000 1.195 135 P CA 1.178 64.292 63.100 0.023 0.000 0.762 135 P CB 0.121 31.826 31.700 0.008 0.000 0.799 136 G N 2.190 111.083 108.800 0.155 0.000 2.258 136 G HA2 -0.209 3.752 3.960 0.001 0.000 0.233 136 G HA3 -0.209 3.752 3.960 0.001 0.000 0.233 136 G C -0.402 174.637 174.900 0.232 0.000 1.006 136 G CA -0.507 44.698 45.100 0.176 0.000 0.620 136 G HN 0.382 nan 8.290 nan 0.000 0.511 137 W N 2.503 123.780 121.300 -0.040 0.000 2.190 137 W HA 0.697 5.357 4.660 0.001 0.000 0.330 137 W C 1.087 177.590 176.519 -0.026 0.000 1.299 137 W CA -0.411 56.904 57.345 -0.051 0.000 1.215 137 W CB 0.362 29.781 29.460 -0.068 0.000 1.147 137 W HN 0.163 nan 8.180 nan 0.000 0.563 138 R N 1.638 122.222 120.500 0.139 0.000 2.428 138 R HA 0.488 4.828 4.340 0.001 0.000 0.294 138 R C -0.913 175.469 176.300 0.137 0.000 1.000 138 R CA -1.079 55.085 56.100 0.106 0.000 0.960 138 R CB 1.114 31.448 30.300 0.058 0.000 1.076 138 R HN 0.133 nan 8.270 nan 0.000 0.475 139 V N 4.201 124.186 119.914 0.120 0.000 2.372 139 V HA 0.006 4.127 4.120 0.001 0.000 0.261 139 V C 1.106 177.275 176.094 0.125 0.000 1.055 139 V CA 0.003 62.378 62.300 0.125 0.000 0.930 139 V CB 1.163 33.040 31.823 0.090 0.000 1.031 139 V HN 0.760 nan 8.190 nan 0.000 0.479 140 V N 2.358 122.381 119.914 0.181 0.000 3.621 140 V HA 0.756 4.877 4.120 0.001 0.000 0.285 140 V C 0.556 176.735 176.094 0.142 0.000 1.346 140 V CA 0.591 63.011 62.300 0.199 0.000 1.104 140 V CB -0.004 32.016 31.823 0.328 0.000 0.913 140 V HN 0.807 nan 8.190 nan 0.000 0.432 141 A N -0.066 122.830 122.820 0.126 0.000 2.589 141 A HA 0.847 5.167 4.320 0.001 0.000 0.296 141 A C -0.907 176.717 177.584 0.068 0.000 1.062 141 A CA -0.622 51.433 52.037 0.030 0.000 0.686 141 A CB 1.675 20.728 19.000 0.087 0.000 1.282 141 A HN 0.462 nan 8.150 nan 0.000 0.404 142 E N -0.063 120.148 120.200 0.020 0.000 2.413 142 E HA 0.657 5.008 4.350 0.001 0.000 0.277 142 E C -0.849 175.768 176.600 0.027 0.000 0.958 142 E CA -0.823 55.599 56.400 0.037 0.000 0.779 142 E CB 2.437 32.145 29.700 0.013 0.000 1.278 142 E HN 0.815 nan 8.360 nan 0.000 0.456 143 T N -2.669 111.910 114.554 0.043 0.000 2.930 143 T HA 0.230 4.581 4.350 0.001 0.000 0.290 143 T C 0.975 175.689 174.700 0.024 0.000 1.052 143 T CA -0.683 61.438 62.100 0.036 0.000 1.017 143 T CB 1.499 70.404 68.868 0.062 0.000 1.137 143 T HN 0.673 nan 8.240 nan 0.000 0.511 144 E N 0.452 120.662 120.200 0.017 0.000 2.118 144 E HA -0.186 4.164 4.350 0.001 0.000 0.195 144 E C 1.098 177.703 176.600 0.007 0.000 0.992 144 E CA 1.183 57.588 56.400 0.008 0.000 0.804 144 E CB -0.143 29.561 29.700 0.006 0.000 0.741 144 E HN 0.629 nan 8.360 nan 0.000 0.458 145 E N 0.465 120.671 120.200 0.010 0.000 2.463 145 E HA 0.118 4.469 4.350 0.001 0.000 0.193 145 E C -0.193 176.412 176.600 0.008 0.000 1.041 145 E CA 0.012 56.411 56.400 -0.003 0.000 0.879 145 E CB 0.281 29.965 29.700 -0.028 0.000 0.997 145 E HN 0.154 nan 8.360 nan 0.000 0.478 146 N N 0.848 119.566 118.700 0.030 0.000 2.629 146 N HA 0.086 4.826 4.740 0.001 0.000 0.277 146 N C -2.399 173.139 175.510 0.048 0.000 1.188 146 N CA -1.378 51.698 53.050 0.044 0.000 0.835 146 N CB 1.740 40.272 38.487 0.074 0.000 1.420 146 N HN -0.257 nan 8.380 nan 0.000 0.542 147 P HA -0.011 nan 4.420 nan 0.000 0.236 147 P C -0.189 177.140 177.300 0.049 0.000 1.172 147 P CA 0.530 63.651 63.100 0.035 0.000 0.759 147 P CB 0.549 32.264 31.700 0.024 0.000 0.843 148 V N -0.035 119.916 119.914 0.061 0.000 2.383 148 V HA 0.360 4.481 4.120 0.001 0.000 0.261 148 V C 1.333 177.490 176.094 0.105 0.000 0.987 148 V CA -0.096 62.249 62.300 0.075 0.000 0.853 148 V CB 0.538 32.392 31.823 0.052 0.000 1.095 148 V HN -0.036 nan 8.190 nan 0.000 0.461 149 A N 1.962 124.869 122.820 0.145 0.000 1.975 149 A HA 0.734 5.055 4.320 0.001 0.000 0.215 149 A C 1.125 178.869 177.584 0.267 0.000 1.170 149 A CA 1.117 53.292 52.037 0.230 0.000 0.656 149 A CB 0.266 19.423 19.000 0.262 0.000 0.821 149 A HN 1.143 nan 8.150 nan 0.000 0.449 150 A N -0.517 122.452 122.820 0.248 0.000 2.547 150 A HA 0.631 4.951 4.320 0.001 0.000 0.297 150 A C -0.648 177.078 177.584 0.236 0.000 1.056 150 A CA -0.385 51.808 52.037 0.260 0.000 0.688 150 A CB 0.681 19.970 19.000 0.483 0.000 1.282 150 A HN 0.846 nan 8.150 nan 0.000 0.400 151 I N -1.460 119.242 120.570 0.219 0.000 3.002 151 I HA 1.002 5.172 4.170 0.001 0.000 0.310 151 I C -0.240 175.996 176.117 0.199 0.000 1.087 151 I CA -1.251 60.197 61.300 0.247 0.000 1.017 151 I CB 2.399 40.586 38.000 0.311 0.000 1.226 151 I HN 1.057 nan 8.210 nan 0.000 0.443 152 A N 2.248 125.099 122.820 0.052 0.000 2.459 152 A HA 0.646 4.966 4.320 0.001 0.000 0.296 152 A C -0.398 176.655 177.584 -0.885 0.000 1.039 152 A CA -0.419 51.352 52.037 -0.444 0.000 0.698 152 A CB 1.453 20.303 19.000 -0.250 0.000 1.261 152 A HN 0.977 nan 8.150 nan 0.000 0.405 153 S N 3.162 117.839 115.700 -1.705 0.000 2.562 153 S HA 0.366 4.836 4.470 0.001 0.000 0.281 153 S C -1.167 172.897 174.600 -0.894 0.000 1.333 153 S CA -0.330 56.660 58.200 -2.016 0.000 1.052 153 S CB 0.581 62.766 63.200 -1.692 0.000 0.884 153 S HN 0.544 nan 8.310 nan 0.000 0.506 154 P HA -0.184 nan 4.420 nan 0.000 0.218 154 P C 0.826 177.994 177.300 -0.219 0.000 1.146 154 P CA 1.488 64.431 63.100 -0.261 0.000 0.813 154 P CB -0.149 31.480 31.700 -0.118 0.000 0.778 155 D N -1.094 119.155 120.400 -0.251 0.000 2.347 155 D HA -0.016 4.624 4.640 0.001 0.000 0.215 155 D C 1.411 177.602 176.300 -0.183 0.000 0.976 155 D CA 0.934 54.833 54.000 -0.168 0.000 0.884 155 D CB -0.975 39.748 40.800 -0.128 0.000 0.915 155 D HN 0.256 nan 8.370 nan 0.000 0.526 156 G N 1.368 109.982 108.800 -0.310 0.000 2.176 156 G HA2 -0.320 3.640 3.960 0.001 0.000 0.252 156 G HA3 -0.320 3.640 3.960 0.001 0.000 0.252 156 G C 0.821 175.599 174.900 -0.203 0.000 1.024 156 G CA 0.183 45.114 45.100 -0.281 0.000 0.755 156 G HN 0.433 nan 8.290 nan 0.000 0.507 157 R N -0.691 119.640 120.500 -0.280 0.000 2.476 157 R HA 0.540 4.880 4.340 0.001 0.000 0.276 157 R C 0.679 176.923 176.300 -0.094 0.000 0.941 157 R CA 0.678 56.728 56.100 -0.082 0.000 1.088 157 R CB 1.041 31.316 30.300 -0.043 0.000 1.216 157 R HN 0.731 nan 8.270 nan 0.000 0.533 158 A N 0.604 123.145 122.820 -0.465 0.000 2.422 158 A HA 0.724 5.044 4.320 0.001 0.000 0.302 158 A C -1.597 175.523 177.584 -0.775 0.000 1.041 158 A CA -0.467 51.323 52.037 -0.412 0.000 0.708 158 A CB 1.095 19.850 19.000 -0.408 0.000 1.257 158 A HN 0.145 nan 8.150 nan 0.000 0.414 159 Y N -0.003 120.186 120.300 -0.185 0.000 2.562 159 Y HA 0.678 5.228 4.550 0.001 0.000 0.345 159 Y C 0.583 176.404 175.900 -0.131 0.000 1.045 159 Y CA -0.343 57.660 58.100 -0.162 0.000 1.028 159 Y CB 2.838 41.188 38.460 -0.183 0.000 1.297 159 Y HN 1.005 nan 8.280 nan 0.000 0.463 160 G N 0.494 109.354 108.800 0.098 0.000 2.620 160 G HA2 0.640 4.600 3.960 0.001 0.000 0.301 160 G HA3 0.640 4.600 3.960 0.001 0.000 0.301 160 G C -1.840 173.018 174.900 -0.071 0.000 1.347 160 G CA -0.972 44.118 45.100 -0.016 0.000 0.971 160 G HN 0.867 nan 8.290 nan 0.000 0.488 161 V N -0.261 119.509 119.914 -0.240 0.000 2.760 161 V HA 0.609 4.730 4.120 0.001 0.000 0.309 161 V C 0.262 176.090 176.094 -0.444 0.000 1.077 161 V CA -0.944 61.080 62.300 -0.461 0.000 0.910 161 V CB 1.888 33.091 31.823 -1.033 0.000 1.008 161 V HN 0.651 nan 8.190 nan 0.000 0.424 162 Q N 2.792 122.445 119.800 -0.245 0.000 2.415 162 Q HA 0.350 4.690 4.340 0.001 0.000 0.206 162 Q C -0.205 175.807 176.000 0.019 0.000 0.946 162 Q CA 0.522 56.290 55.803 -0.057 0.000 0.951 162 Q CB -0.297 28.500 28.738 0.097 0.000 1.026 162 Q HN 0.859 nan 8.270 nan 0.000 0.510 163 F N -3.020 116.944 119.950 0.023 0.000 2.631 163 F HA 0.581 5.108 4.527 0.001 0.000 0.328 163 F C -0.795 175.000 175.800 -0.008 0.000 1.067 163 F CA -1.632 56.408 58.000 0.067 0.000 0.969 163 F CB 0.690 39.772 39.000 0.136 0.000 1.332 163 F HN -0.208 nan 8.300 nan 0.000 0.490 164 H N 1.939 121.223 119.070 0.357 0.000 2.690 164 H HA 0.296 4.852 4.556 0.001 0.000 0.289 164 H C -1.943 173.528 175.328 0.239 0.000 1.089 164 H CA -1.720 54.447 56.048 0.197 0.000 1.299 164 H CB 1.028 30.858 29.762 0.112 0.000 1.405 164 H HN 0.375 nan 8.280 nan 0.000 0.463 165 P HA -0.126 nan 4.420 nan 0.000 0.236 165 P C 0.954 178.309 177.300 0.092 0.000 1.177 165 P CA 0.709 63.946 63.100 0.228 0.000 0.773 165 P CB 0.630 32.423 31.700 0.155 0.000 0.878 166 E N 0.936 121.173 120.200 0.060 0.000 2.358 166 E HA -0.004 4.347 4.350 0.001 0.000 0.195 166 E C 0.854 177.390 176.600 -0.107 0.000 1.010 166 E CA 0.394 56.789 56.400 -0.010 0.000 0.856 166 E CB -0.813 28.897 29.700 0.018 0.000 0.795 166 E HN 0.150 nan 8.360 nan 0.000 0.504 167 V N -2.245 117.559 119.914 -0.184 0.000 2.716 167 V HA 0.648 4.768 4.120 0.001 0.000 0.304 167 V C 1.468 177.408 176.094 -0.256 0.000 1.053 167 V CA -0.247 61.851 62.300 -0.336 0.000 0.984 167 V CB 1.395 32.836 31.823 -0.638 0.000 1.021 167 V HN 0.046 nan 8.190 nan 0.000 0.467 168 A N 1.157 123.783 122.820 -0.324 0.000 2.024 168 A HA -0.157 4.163 4.320 0.001 0.000 0.220 168 A C 1.646 178.990 177.584 -0.401 0.000 1.164 168 A CA 1.976 53.804 52.037 -0.347 0.000 0.643 168 A CB -1.260 17.490 19.000 -0.416 0.000 0.806 168 A HN 1.102 nan 8.150 nan 0.000 0.451 169 H N -0.628 118.188 119.070 -0.423 0.000 2.568 169 H HA 0.044 4.600 4.556 0.001 0.000 0.281 169 H C -0.089 175.166 175.328 -0.121 0.000 1.028 169 H CA 1.322 57.149 56.048 -0.368 0.000 1.199 169 H CB -0.053 29.225 29.762 -0.807 0.000 1.352 169 H HN 0.300 nan 8.280 nan 0.000 0.605 170 T N 2.357 116.894 114.554 -0.028 0.000 3.327 170 T HA 0.074 4.424 4.350 0.001 0.000 0.373 170 T C -1.692 172.982 174.700 -0.044 0.000 1.589 170 T CA -1.236 60.872 62.100 0.013 0.000 1.497 170 T CB 1.194 70.127 68.868 0.108 0.000 1.032 170 T HN 0.187 nan 8.240 nan 0.000 0.640 171 P HA -0.154 nan 4.420 nan 0.000 0.217 171 P C 0.716 177.981 177.300 -0.059 0.000 1.148 171 P CA 1.219 64.267 63.100 -0.086 0.000 0.834 171 P CB 0.297 31.944 31.700 -0.089 0.000 0.783 172 K N -0.611 119.763 120.400 -0.043 0.000 2.410 172 K HA 0.192 4.513 4.320 0.001 0.000 0.200 172 K C 2.081 178.683 176.600 0.002 0.000 1.023 172 K CA 0.225 56.495 56.287 -0.027 0.000 1.149 172 K CB -0.317 32.161 32.500 -0.035 0.000 0.859 172 K HN 0.099 nan 8.250 nan 0.000 0.514 173 G N 1.572 110.380 108.800 0.012 0.000 2.442 173 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 173 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 173 G C 1.446 176.360 174.900 0.024 0.000 1.141 173 G CA 0.518 45.650 45.100 0.053 0.000 0.763 173 G HN 0.113 nan 8.290 nan 0.000 0.554 174 M N 0.125 119.724 119.600 -0.001 0.000 2.159 174 M HA -0.068 4.412 4.480 0.001 0.000 0.263 174 M C 2.447 178.744 176.300 -0.005 0.000 1.063 174 M CA 1.237 56.534 55.300 -0.005 0.000 1.110 174 M CB -0.916 31.676 32.600 -0.014 0.000 1.374 174 M HN 0.335 nan 8.290 nan 0.000 0.411 175 Q N 0.695 120.490 119.800 -0.009 0.000 2.167 175 Q HA -0.001 4.340 4.340 0.001 0.000 0.202 175 Q C 1.802 177.785 176.000 -0.029 0.000 0.970 175 Q CA 1.364 57.158 55.803 -0.014 0.000 0.855 175 Q CB -0.302 28.430 28.738 -0.011 0.000 0.911 175 Q HN 0.558 nan 8.270 nan 0.000 0.438 176 I N -0.354 120.198 120.570 -0.030 0.000 2.142 176 I HA -0.290 3.880 4.170 0.001 0.000 0.240 176 I C 2.022 178.101 176.117 -0.062 0.000 1.078 176 I CA 1.034 62.280 61.300 -0.090 0.000 1.343 176 I CB -0.326 37.639 38.000 -0.059 0.000 1.046 176 I HN 0.212 nan 8.210 nan 0.000 0.405 177 L N 0.406 121.622 121.223 -0.012 0.000 2.079 177 L HA -0.242 4.098 4.340 0.001 0.000 0.210 177 L C 2.596 179.499 176.870 0.055 0.000 1.081 177 L CA 1.349 56.214 54.840 0.040 0.000 0.752 177 L CB -0.576 41.503 42.059 0.033 0.000 0.896 177 L HN 0.283 nan 8.230 nan 0.000 0.433 178 E N 0.577 120.782 120.200 0.009 0.000 2.072 178 E HA -0.194 4.156 4.350 0.001 0.000 0.191 178 E C 1.904 178.486 176.600 -0.031 0.000 0.985 178 E CA 1.353 57.748 56.400 -0.008 0.000 0.801 178 E CB -0.076 29.616 29.700 -0.013 0.000 0.750 178 E HN 0.341 nan 8.360 nan 0.000 0.452 179 N N -0.125 118.547 118.700 -0.046 0.000 2.120 179 N HA -0.160 4.581 4.740 0.001 0.000 0.188 179 N C 1.585 177.043 175.510 -0.087 0.000 1.024 179 N CA 1.218 54.219 53.050 -0.082 0.000 0.852 179 N CB -0.605 37.803 38.487 -0.132 0.000 1.003 179 N HN 0.258 nan 8.380 nan 0.000 0.424 180 F N 1.752 121.575 119.950 -0.212 0.000 2.171 180 F HA 0.018 4.545 4.527 0.001 0.000 0.300 180 F C 1.982 177.720 175.800 -0.102 0.000 1.090 180 F CA 0.846 58.722 58.000 -0.206 0.000 1.293 180 F CB -0.282 38.601 39.000 -0.196 0.000 1.013 180 F HN -0.063 nan 8.300 nan 0.000 0.486 181 L N -0.238 120.840 121.223 -0.243 0.000 2.156 181 L HA -0.149 4.191 4.340 0.001 0.000 0.208 181 L C 2.291 179.019 176.870 -0.238 0.000 1.095 181 L CA 1.379 56.045 54.840 -0.290 0.000 0.770 181 L CB -0.699 41.294 42.059 -0.110 0.000 0.914 181 L HN 0.150 nan 8.230 nan 0.000 0.439 182 E N 0.206 120.309 120.200 -0.162 0.000 2.107 182 E HA -0.163 4.187 4.350 0.001 0.000 0.191 182 E C 2.353 178.876 176.600 -0.129 0.000 0.982 182 E CA 0.861 57.191 56.400 -0.116 0.000 0.809 182 E CB -0.005 29.649 29.700 -0.076 0.000 0.756 182 E HN 0.445 nan 8.360 nan 0.000 0.459 183 L N 0.395 121.521 121.223 -0.162 0.000 2.056 183 L HA -0.106 4.234 4.340 0.001 0.000 0.207 183 L C 2.427 179.210 176.870 -0.146 0.000 1.078 183 L CA 0.983 55.754 54.840 -0.115 0.000 0.749 183 L CB -0.326 41.691 42.059 -0.070 0.000 0.901 183 L HN 0.119 nan 8.230 nan 0.000 0.433 184 A N -0.301 122.331 122.820 -0.313 0.000 2.206 184 A HA 0.203 4.524 4.320 0.001 0.000 0.211 184 A C 1.650 179.122 177.584 -0.186 0.000 1.158 184 A CA 0.708 52.566 52.037 -0.299 0.000 0.761 184 A CB -0.630 18.022 19.000 -0.580 0.000 0.801 184 A HN 0.530 nan 8.150 nan 0.000 0.473 185 G N -0.601 108.104 108.800 -0.159 0.000 2.273 185 G HA2 -0.176 3.785 3.960 0.001 0.000 0.280 185 G HA3 -0.176 3.785 3.960 0.001 0.000 0.280 185 G C 0.091 174.938 174.900 -0.089 0.000 1.047 185 G CA 0.218 45.259 45.100 -0.099 0.000 0.869 185 G HN 0.733 nan 8.290 nan 0.000 0.502 186 V N 0.365 120.210 119.914 -0.115 0.000 2.637 186 V HA 0.220 4.340 4.120 0.001 0.000 0.296 186 V C 1.149 177.221 176.094 -0.037 0.000 1.046 186 V CA 0.045 62.300 62.300 -0.075 0.000 1.066 186 V CB 1.246 33.015 31.823 -0.090 0.000 0.968 186 V HN 0.399 nan 8.190 nan 0.000 0.483 187 K N 4.158 124.552 120.400 -0.010 0.000 2.185 187 K HA 0.367 4.688 4.320 0.001 0.000 0.271 187 K C -0.074 176.543 176.600 0.029 0.000 1.013 187 K CA -0.764 55.524 56.287 0.002 0.000 0.943 187 K CB 0.655 33.156 32.500 0.002 0.000 0.998 187 K HN 0.389 nan 8.250 nan 0.000 0.468 188 R N 2.725 123.242 120.500 0.028 0.000 3.956 188 R HA 0.080 4.420 4.340 0.001 0.000 0.237 188 R C -0.294 176.050 176.300 0.073 0.000 1.552 188 R CA -0.029 56.109 56.100 0.063 0.000 1.529 188 R CB -0.404 29.922 30.300 0.043 0.000 1.376 188 R HN 0.609 nan 8.270 nan 0.000 0.733 189 D N -0.489 119.972 120.400 0.102 0.000 2.348 189 D HA -0.094 4.546 4.640 0.001 0.000 0.211 189 D C -0.024 176.409 176.300 0.222 0.000 0.998 189 D CA 0.273 54.310 54.000 0.061 0.000 0.873 189 D CB 0.450 41.249 40.800 -0.001 0.000 0.925 189 D HN 0.425 nan 8.370 nan 0.000 0.524 190 W N 4.075 125.426 121.300 0.086 0.000 2.081 190 W HA 0.098 4.758 4.660 0.001 0.000 0.433 190 W C -0.380 176.195 176.519 0.094 0.000 0.876 190 W CA -0.012 57.415 57.345 0.136 0.000 1.631 190 W CB 0.090 29.660 29.460 0.183 0.000 1.757 190 W HN -0.199 nan 8.180 nan 0.000 0.298 191 T N 1.719 116.221 114.554 -0.087 0.000 2.887 191 T HA 0.360 4.710 4.350 0.001 0.000 0.288 191 T C -1.951 172.591 174.700 -0.265 0.000 1.021 191 T CA -1.924 60.097 62.100 -0.133 0.000 1.000 191 T CB 2.344 71.189 68.868 -0.039 0.000 1.034 191 T HN -0.061 nan 8.240 nan 0.000 0.467 192 P HA -0.225 nan 4.420 nan 0.000 0.216 192 P C 1.713 178.895 177.300 -0.197 0.000 1.154 192 P CA 1.350 64.303 63.100 -0.244 0.000 0.865 192 P CB 0.147 31.752 31.700 -0.158 0.000 0.789 193 E N -0.456 119.673 120.200 -0.120 0.000 2.072 193 E HA -0.264 4.086 4.350 0.001 0.000 0.191 193 E C 2.045 178.601 176.600 -0.074 0.000 0.985 193 E CA 1.510 57.861 56.400 -0.082 0.000 0.801 193 E CB -1.335 28.339 29.700 -0.043 0.000 0.750 193 E HN 0.323 nan 8.360 nan 0.000 0.452 194 H N 1.477 120.459 119.070 -0.146 0.000 2.321 194 H HA -0.059 4.497 4.556 0.001 0.000 0.300 194 H C 2.097 177.321 175.328 -0.173 0.000 1.087 194 H CA 2.270 58.239 56.048 -0.131 0.000 1.319 194 H CB -0.287 29.409 29.762 -0.111 0.000 1.379 194 H HN 0.023 nan 8.280 nan 0.000 0.501 195 V N 0.571 120.219 119.914 -0.442 0.000 2.343 195 V HA -0.214 3.906 4.120 0.001 0.000 0.247 195 V C 2.666 178.558 176.094 -0.337 0.000 1.051 195 V CA 1.588 63.565 62.300 -0.538 0.000 1.036 195 V CB -0.861 30.522 31.823 -0.734 0.000 0.654 195 V HN 0.404 nan 8.190 nan 0.000 0.451 196 L N 0.529 121.604 121.223 -0.246 0.000 1.989 196 L HA -0.206 4.135 4.340 0.001 0.000 0.211 196 L C 2.384 179.175 176.870 -0.132 0.000 1.071 196 L CA 2.078 56.830 54.840 -0.148 0.000 0.749 196 L CB -0.850 41.139 42.059 -0.115 0.000 0.890 196 L HN 0.381 nan 8.230 nan 0.000 0.431 197 E N -0.642 119.472 120.200 -0.144 0.000 2.085 197 E HA -0.303 4.048 4.350 0.001 0.000 0.194 197 E C 2.121 178.639 176.600 -0.138 0.000 0.994 197 E CA 1.544 57.875 56.400 -0.115 0.000 0.801 197 E CB -0.147 29.501 29.700 -0.087 0.000 0.743 197 E HN 0.644 nan 8.360 nan 0.000 0.453 198 E N 0.604 120.667 120.200 -0.227 0.000 2.077 198 E HA -0.172 4.179 4.350 0.001 0.000 0.193 198 E C 2.021 178.540 176.600 -0.135 0.000 0.989 198 E CA 0.759 57.033 56.400 -0.210 0.000 0.800 198 E CB 0.054 29.552 29.700 -0.337 0.000 0.746 198 E HN 0.203 nan 8.360 nan 0.000 0.452 199 L N 0.395 121.545 121.223 -0.122 0.000 2.217 199 L HA -0.125 4.215 4.340 0.001 0.000 0.211 199 L C 2.389 179.215 176.870 -0.072 0.000 1.107 199 L CA 0.461 55.258 54.840 -0.071 0.000 0.783 199 L CB -0.236 41.818 42.059 -0.007 0.000 0.919 199 L HN 0.258 nan 8.230 nan 0.000 0.442 200 L N -0.690 120.490 121.223 -0.072 0.000 2.027 200 L HA -0.164 4.177 4.340 0.001 0.000 0.206 200 L C 2.878 179.709 176.870 -0.065 0.000 1.074 200 L CA 1.136 55.938 54.840 -0.064 0.000 0.745 200 L CB -0.421 41.605 42.059 -0.054 0.000 0.898 200 L HN 0.198 nan 8.230 nan 0.000 0.433 201 R N 0.233 120.694 120.500 -0.065 0.000 2.082 201 R HA -0.207 4.133 4.340 0.001 0.000 0.234 201 R C 2.157 178.420 176.300 -0.062 0.000 1.136 201 R CA 1.867 57.934 56.100 -0.055 0.000 0.935 201 R CB -0.553 29.716 30.300 -0.052 0.000 0.842 201 R HN 0.439 nan 8.270 nan 0.000 0.430 202 E N 0.263 120.420 120.200 -0.072 0.000 2.114 202 E HA -0.204 4.146 4.350 0.001 0.000 0.199 202 E C 2.084 178.618 176.600 -0.110 0.000 1.008 202 E CA 1.650 58.002 56.400 -0.080 0.000 0.810 202 E CB -0.160 29.492 29.700 -0.079 0.000 0.739 202 E HN 0.124 nan 8.360 nan 0.000 0.456 203 V N 1.030 120.871 119.914 -0.122 0.000 2.343 203 V HA -0.260 3.860 4.120 0.001 0.000 0.247 203 V C 2.274 178.284 176.094 -0.140 0.000 1.051 203 V CA 1.765 63.968 62.300 -0.160 0.000 1.036 203 V CB -0.478 31.255 31.823 -0.150 0.000 0.654 203 V HN 0.201 nan 8.190 nan 0.000 0.451 204 R N -0.081 120.366 120.500 -0.089 0.000 2.088 204 R HA -0.209 4.131 4.340 0.001 0.000 0.232 204 R C 2.349 178.618 176.300 -0.051 0.000 1.136 204 R CA 2.181 58.247 56.100 -0.057 0.000 0.926 204 R CB -0.413 29.865 30.300 -0.036 0.000 0.837 204 R HN 0.624 nan 8.270 nan 0.000 0.429 205 E N 0.039 120.210 120.200 -0.049 0.000 2.005 205 E HA -0.199 4.152 4.350 0.001 0.000 0.198 205 E C 2.169 178.745 176.600 -0.041 0.000 1.010 205 E CA 0.967 57.349 56.400 -0.030 0.000 0.825 205 E CB -0.122 29.562 29.700 -0.026 0.000 0.769 205 E HN 0.162 nan 8.360 nan 0.000 0.456 206 R N 0.148 120.592 120.500 -0.094 0.000 2.162 206 R HA -0.245 4.096 4.340 0.001 0.000 0.245 206 R C 2.264 178.414 176.300 -0.251 0.000 1.129 206 R CA 1.815 57.820 56.100 -0.159 0.000 0.940 206 R CB -0.912 29.222 30.300 -0.276 0.000 0.875 206 R HN 0.270 nan 8.270 nan 0.000 0.437 207 A N -0.400 122.192 122.820 -0.380 0.000 1.968 207 A HA 0.128 4.449 4.320 0.001 0.000 0.217 207 A C 1.632 179.297 177.584 0.136 0.000 1.169 207 A CA 1.696 53.579 52.037 -0.258 0.000 0.638 207 A CB -0.564 18.297 19.000 -0.233 0.000 0.812 207 A HN 0.556 nan 8.150 nan 0.000 0.446 208 G N -0.210 108.621 108.800 0.052 0.000 2.634 208 G HA2 -0.363 3.597 3.960 0.001 0.000 0.318 208 G HA3 -0.363 3.597 3.960 0.001 0.000 0.318 208 G C 0.774 175.726 174.900 0.087 0.000 1.207 208 G CA 0.747 45.893 45.100 0.077 0.000 0.987 208 G HN 0.414 nan 8.290 nan 0.000 0.547 209 K N 1.776 122.238 120.400 0.103 0.000 2.374 209 K HA 0.227 4.547 4.320 0.001 0.000 0.202 209 K C 0.383 177.050 176.600 0.112 0.000 1.040 209 K CA 0.085 56.424 56.287 0.087 0.000 1.085 209 K CB 0.358 32.892 32.500 0.058 0.000 0.873 209 K HN 0.528 nan 8.250 nan 0.000 0.539 210 D N 1.485 121.990 120.400 0.175 0.000 2.369 210 D HA 0.068 4.708 4.640 0.001 0.000 0.241 210 D C 0.576 177.016 176.300 0.234 0.000 1.271 210 D CA 0.108 54.223 54.000 0.191 0.000 0.942 210 D CB 0.861 41.808 40.800 0.244 0.000 1.129 210 D HN -0.238 nan 8.370 nan 0.000 0.476 211 R N -0.078 120.561 120.500 0.231 0.000 2.457 211 R HA 0.462 4.802 4.340 0.001 0.000 0.284 211 R C -0.756 175.859 176.300 0.525 0.000 1.024 211 R CA -0.635 55.664 56.100 0.333 0.000 1.025 211 R CB 1.214 31.617 30.300 0.171 0.000 1.063 211 R HN 0.137 nan 8.270 nan 0.000 0.493 212 V N 4.426 124.631 119.914 0.485 0.000 2.443 212 V HA 0.224 4.344 4.120 0.001 0.000 0.293 212 V C -0.543 175.562 176.094 0.019 0.000 1.021 212 V CA -0.894 61.589 62.300 0.304 0.000 0.848 212 V CB 1.675 33.620 31.823 0.203 0.000 0.998 212 V HN 0.479 nan 8.190 nan 0.000 0.424 213 L N 6.261 127.280 121.223 -0.341 0.000 2.312 213 L HA 0.801 5.141 4.340 0.001 0.000 0.281 213 L C -0.812 175.906 176.870 -0.252 0.000 1.070 213 L CA -0.036 54.377 54.840 -0.712 0.000 0.805 213 L CB 1.385 42.682 42.059 -1.269 0.000 1.174 213 L HN 0.651 nan 8.230 nan 0.000 0.434 214 L N 4.951 126.127 121.223 -0.079 0.000 2.455 214 L HA 0.874 5.214 4.340 0.001 0.000 0.264 214 L C -1.138 175.806 176.870 0.123 0.000 0.968 214 L CA -0.332 54.519 54.840 0.018 0.000 0.827 214 L CB 1.943 43.986 42.059 -0.028 0.000 1.317 214 L HN 0.721 nan 8.230 nan 0.000 0.407 215 A N 4.392 127.203 122.820 -0.015 0.000 2.276 215 A HA 0.725 5.045 4.320 0.001 0.000 0.316 215 A C -0.669 176.904 177.584 -0.018 0.000 1.229 215 A CA -0.210 51.777 52.037 -0.083 0.000 0.851 215 A CB 0.772 19.492 19.000 -0.467 0.000 1.165 215 A HN 1.211 nan 8.150 nan 0.000 0.513 216 V N 1.439 121.383 119.914 0.050 0.000 2.581 216 V HA 0.783 4.903 4.120 0.001 0.000 0.303 216 V C 0.525 176.626 176.094 0.011 0.000 1.041 216 V CA 0.219 62.490 62.300 -0.047 0.000 0.907 216 V CB 1.308 33.035 31.823 -0.160 0.000 0.994 216 V HN 1.153 nan 8.190 nan 0.000 0.442 217 S N 0.715 116.384 115.700 -0.052 0.000 2.632 217 S HA 0.559 5.030 4.470 0.001 0.000 0.237 217 S C 1.311 175.973 174.600 0.104 0.000 1.037 217 S CA 0.631 58.908 58.200 0.130 0.000 1.009 217 S CB 0.854 64.080 63.200 0.043 0.000 0.974 217 S HN 2.384 nan 8.310 nan 0.000 0.544 218 G N 0.740 109.436 108.800 -0.173 0.000 2.316 218 G HA2 -0.014 3.946 3.960 0.001 0.000 0.203 218 G HA3 -0.014 3.946 3.960 0.001 0.000 0.203 218 G C 0.483 175.355 174.900 -0.046 0.000 0.999 218 G CA -0.271 44.749 45.100 -0.133 0.000 0.649 218 G HN 1.039 nan 8.290 nan 0.000 0.489 219 G N -0.182 108.622 108.800 0.007 0.000 2.527 219 G HA2 0.523 4.484 3.960 0.001 0.000 0.248 219 G HA3 0.523 4.484 3.960 0.001 0.000 0.248 219 G C 1.264 176.166 174.900 0.002 0.000 1.231 219 G CA 0.599 45.720 45.100 0.035 0.000 0.838 219 G HN 0.992 nan 8.290 nan 0.000 0.570 220 V N 0.736 120.658 119.914 0.013 0.000 2.469 220 V HA -0.145 3.976 4.120 0.001 0.000 0.251 220 V C 2.209 178.311 176.094 0.013 0.000 1.064 220 V CA 2.716 65.014 62.300 -0.003 0.000 1.066 220 V CB -0.340 31.480 31.823 -0.005 0.000 0.667 220 V HN 0.856 nan 8.190 nan 0.000 0.461 221 D N 0.199 120.623 120.400 0.040 0.000 2.081 221 D HA -0.161 4.479 4.640 0.001 0.000 0.194 221 D C 2.402 178.793 176.300 0.151 0.000 0.986 221 D CA 2.174 56.236 54.000 0.102 0.000 0.837 221 D CB -0.250 40.613 40.800 0.106 0.000 0.985 221 D HN 0.641 nan 8.370 nan 0.000 0.448 222 S N -0.336 115.404 115.700 0.066 0.000 2.382 222 S HA -0.115 4.355 4.470 0.001 0.000 0.228 222 S C 2.290 176.889 174.600 -0.001 0.000 1.027 222 S CA 1.542 59.755 58.200 0.020 0.000 0.991 222 S CB -0.460 62.722 63.200 -0.030 0.000 0.823 222 S HN 0.127 nan 8.310 nan 0.000 0.469 223 S N 1.693 117.379 115.700 -0.022 0.000 2.368 223 S HA -0.068 4.402 4.470 0.001 0.000 0.225 223 S C 2.062 176.662 174.600 -0.001 0.000 1.030 223 S CA 1.664 59.834 58.200 -0.049 0.000 0.999 223 S CB -0.923 62.234 63.200 -0.072 0.000 0.844 223 S HN 0.731 nan 8.310 nan 0.000 0.459 224 T N 2.429 117.017 114.554 0.056 0.000 2.915 224 T HA 0.032 4.383 4.350 0.001 0.000 0.269 224 T C 1.673 176.513 174.700 0.234 0.000 1.071 224 T CA 0.616 62.780 62.100 0.106 0.000 1.132 224 T CB -0.275 68.619 68.868 0.043 0.000 0.878 224 T HN 0.138 nan 8.240 nan 0.000 0.479 225 L N 1.594 122.956 121.223 0.232 0.000 2.056 225 L HA 0.209 4.549 4.340 0.001 0.000 0.207 225 L C 2.582 179.394 176.870 -0.097 0.000 1.078 225 L CA 1.603 56.443 54.840 0.001 0.000 0.749 225 L CB -1.154 40.830 42.059 -0.125 0.000 0.901 225 L HN 0.203 nan 8.230 nan 0.000 0.433 226 A N -0.826 121.943 122.820 -0.085 0.000 1.902 226 A HA -0.165 4.155 4.320 0.001 0.000 0.217 226 A C 2.120 179.596 177.584 -0.179 0.000 1.181 226 A CA 1.828 53.771 52.037 -0.156 0.000 0.623 226 A CB -0.800 18.143 19.000 -0.095 0.000 0.818 226 A HN 0.408 nan 8.150 nan 0.000 0.443 227 L N -1.065 120.108 121.223 -0.084 0.000 2.141 227 L HA -0.078 4.263 4.340 0.001 0.000 0.209 227 L C 2.334 179.165 176.870 -0.065 0.000 1.094 227 L CA 1.395 56.197 54.840 -0.063 0.000 0.763 227 L CB -0.891 41.152 42.059 -0.027 0.000 0.908 227 L HN 0.465 nan 8.230 nan 0.000 0.437 228 L N -1.247 119.950 121.223 -0.043 0.000 2.056 228 L HA -0.168 4.173 4.340 0.001 0.000 0.207 228 L C 2.281 179.086 176.870 -0.109 0.000 1.078 228 L CA 1.618 56.434 54.840 -0.040 0.000 0.749 228 L CB -0.333 41.727 42.059 0.001 0.000 0.901 228 L HN 0.155 nan 8.230 nan 0.000 0.433 229 L N -0.700 120.406 121.223 -0.195 0.000 1.994 229 L HA -0.182 4.158 4.340 0.001 0.000 0.208 229 L C 2.749 179.495 176.870 -0.207 0.000 1.071 229 L CA 1.279 55.971 54.840 -0.246 0.000 0.745 229 L CB -1.183 40.630 42.059 -0.411 0.000 0.892 229 L HN 0.348 nan 8.230 nan 0.000 0.431 230 A N 0.426 123.072 122.820 -0.290 0.000 1.892 230 A HA -0.310 4.010 4.320 0.001 0.000 0.218 230 A C 2.313 179.900 177.584 0.004 0.000 1.188 230 A CA 2.427 54.440 52.037 -0.040 0.000 0.631 230 A CB -0.545 18.450 19.000 -0.009 0.000 0.822 230 A HN 0.283 nan 8.150 nan 0.000 0.447 231 K N -0.009 120.372 120.400 -0.031 0.000 2.211 231 K HA 0.081 4.401 4.320 0.001 0.000 0.203 231 K C 1.680 178.270 176.600 -0.016 0.000 1.050 231 K CA 1.449 57.726 56.287 -0.018 0.000 0.945 231 K CB -0.439 32.045 32.500 -0.027 0.000 0.732 231 K HN 0.354 nan 8.250 nan 0.000 0.451 232 A N -0.672 122.131 122.820 -0.028 0.000 2.208 232 A HA 0.274 4.595 4.320 0.001 0.000 0.209 232 A C 1.577 179.162 177.584 0.002 0.000 1.161 232 A CA 0.799 52.821 52.037 -0.025 0.000 0.782 232 A CB -0.583 18.387 19.000 -0.050 0.000 0.816 232 A HN 0.503 nan 8.150 nan 0.000 0.477 233 G N -0.726 108.091 108.800 0.028 0.000 2.184 233 G HA2 -0.212 3.749 3.960 0.001 0.000 0.264 233 G HA3 -0.212 3.749 3.960 0.001 0.000 0.264 233 G C 0.610 175.563 174.900 0.088 0.000 0.975 233 G CA 0.813 45.949 45.100 0.060 0.000 0.642 233 G HN 1.823 nan 8.290 nan 0.000 0.536 234 V N -1.263 118.704 119.914 0.088 0.000 2.872 234 V HA 0.489 4.609 4.120 0.001 0.000 0.307 234 V C 0.657 176.884 176.094 0.222 0.000 1.072 234 V CA -0.314 62.054 62.300 0.113 0.000 1.148 234 V CB 1.520 33.378 31.823 0.059 0.000 0.954 234 V HN 0.283 nan 8.190 nan 0.000 0.490 235 D N 4.494 124.994 120.400 0.166 0.000 2.339 235 D HA 0.211 4.851 4.640 0.001 0.000 0.256 235 D C -0.158 176.264 176.300 0.204 0.000 1.214 235 D CA 0.200 54.277 54.000 0.129 0.000 0.877 235 D CB 0.108 40.969 40.800 0.101 0.000 1.111 235 D HN 1.060 nan 8.370 nan 0.000 0.478 236 H N 1.810 120.950 119.070 0.116 0.000 2.977 236 H HA 0.621 5.177 4.556 0.001 0.000 0.350 236 H C -1.738 173.665 175.328 0.124 0.000 1.238 236 H CA -1.193 54.926 56.048 0.119 0.000 1.124 236 H CB 1.367 31.155 29.762 0.044 0.000 1.866 236 H HN 0.255 nan 8.280 nan 0.000 0.550 237 L N 1.529 122.841 121.223 0.148 0.000 2.491 237 L HA 0.654 4.994 4.340 0.001 0.000 0.267 237 L C -1.119 175.807 176.870 0.093 0.000 0.971 237 L CA -0.287 54.606 54.840 0.088 0.000 0.857 237 L CB 1.356 43.486 42.059 0.118 0.000 1.226 237 L HN 0.919 nan 8.230 nan 0.000 0.408 238 A N 5.083 128.002 122.820 0.166 0.000 2.260 238 A HA 0.726 5.046 4.320 0.001 0.000 0.308 238 A C -0.866 176.818 177.584 0.168 0.000 1.254 238 A CA -0.471 51.654 52.037 0.147 0.000 0.874 238 A CB 0.769 19.847 19.000 0.130 0.000 1.153 238 A HN 0.513 nan 8.150 nan 0.000 0.527 239 V N 3.362 123.420 119.914 0.241 0.000 2.370 239 V HA 0.335 4.455 4.120 0.001 0.000 0.283 239 V C -0.779 175.547 176.094 0.387 0.000 1.023 239 V CA -0.335 62.153 62.300 0.314 0.000 0.857 239 V CB 0.922 32.997 31.823 0.420 0.000 0.985 239 V HN 0.745 nan 8.190 nan 0.000 0.443 240 F N 5.998 126.028 119.950 0.133 0.000 2.308 240 F HA 0.529 5.056 4.527 0.001 0.000 0.370 240 F C 0.016 175.871 175.800 0.092 0.000 1.100 240 F CA -1.371 56.684 58.000 0.092 0.000 1.108 240 F CB 1.243 40.271 39.000 0.048 0.000 1.293 240 F HN 0.268 nan 8.300 nan 0.000 0.478 241 V N 5.742 125.733 119.914 0.128 0.000 2.381 241 V HA 0.027 4.148 4.120 0.001 0.000 0.257 241 V C 0.210 176.039 176.094 -0.441 0.000 1.057 241 V CA -0.370 61.918 62.300 -0.019 0.000 1.013 241 V CB 0.387 32.367 31.823 0.261 0.000 1.069 241 V HN 0.528 nan 8.190 nan 0.000 0.484 242 D N 4.549 124.660 120.400 -0.481 0.000 2.435 242 D HA 0.032 4.672 4.640 0.001 0.000 0.230 242 D C 1.453 177.598 176.300 -0.259 0.000 1.215 242 D CA -0.205 53.472 54.000 -0.539 0.000 0.947 242 D CB 0.267 40.839 40.800 -0.381 0.000 1.048 242 D HN 0.811 nan 8.370 nan 0.000 0.512 243 H N 1.858 120.689 119.070 -0.399 0.000 2.556 243 H HA 0.190 4.746 4.556 0.001 0.000 0.268 243 H C 1.295 176.437 175.328 -0.311 0.000 0.996 243 H CA 0.082 55.729 56.048 -0.668 0.000 1.157 243 H CB 0.233 29.112 29.762 -1.472 0.000 1.355 243 H HN 0.479 nan 8.280 nan 0.000 0.597 244 G N 1.505 110.364 108.800 0.099 0.000 2.162 244 G HA2 -0.294 3.666 3.960 0.001 0.000 0.260 244 G HA3 -0.294 3.666 3.960 0.001 0.000 0.260 244 G C 0.646 175.563 174.900 0.027 0.000 0.976 244 G CA 0.482 45.616 45.100 0.057 0.000 0.655 244 G HN 0.493 nan 8.290 nan 0.000 0.533 245 L N 0.073 121.295 121.223 -0.002 0.000 2.769 245 L HA 0.436 4.776 4.340 0.001 0.000 0.240 245 L C 1.408 178.370 176.870 0.153 0.000 1.163 245 L CA -0.411 54.350 54.840 -0.133 0.000 0.962 245 L CB 0.021 41.728 42.059 -0.588 0.000 1.258 245 L HN 0.147 nan 8.230 nan 0.000 0.513 246 L N 0.043 121.421 121.223 0.259 0.000 2.475 246 L HA 0.253 4.593 4.340 0.001 0.000 0.253 246 L C 0.875 177.793 176.870 0.080 0.000 1.198 246 L CA -0.438 54.556 54.840 0.256 0.000 0.814 246 L CB 0.275 42.427 42.059 0.155 0.000 1.134 246 L HN 0.172 nan 8.230 nan 0.000 0.478 247 R N 0.329 120.744 120.500 -0.142 0.000 2.679 247 R HA 0.215 4.556 4.340 0.001 0.000 0.269 247 R C -0.522 175.738 176.300 -0.066 0.000 1.076 247 R CA -0.995 55.018 56.100 -0.145 0.000 1.160 247 R CB 0.380 30.488 30.300 -0.319 0.000 1.054 247 R HN 0.238 nan 8.270 nan 0.000 0.507 248 L N 2.006 123.207 121.223 -0.037 0.000 2.628 248 L HA -0.022 4.318 4.340 0.001 0.000 0.274 248 L C 1.197 178.051 176.870 -0.027 0.000 1.209 248 L CA 1.918 56.746 54.840 -0.020 0.000 0.930 248 L CB -0.001 42.051 42.059 -0.012 0.000 1.183 248 L HN 0.952 nan 8.230 nan 0.000 0.492 249 G N 2.696 111.489 108.800 -0.011 0.000 2.189 249 G HA2 -0.393 3.567 3.960 0.001 0.000 0.267 249 G HA3 -0.393 3.567 3.960 0.001 0.000 0.267 249 G C 0.993 175.891 174.900 -0.003 0.000 0.975 249 G CA 0.797 45.893 45.100 -0.006 0.000 0.644 249 G HN 0.744 nan 8.290 nan 0.000 0.537 250 E N -0.062 120.133 120.200 -0.008 0.000 2.072 250 E HA -0.100 4.250 4.350 0.001 0.000 0.191 250 E C 2.452 179.114 176.600 0.103 0.000 0.985 250 E CA 1.028 57.432 56.400 0.006 0.000 0.801 250 E CB -0.203 29.473 29.700 -0.040 0.000 0.750 250 E HN 0.413 nan 8.360 nan 0.000 0.452 251 R N 0.849 121.438 120.500 0.148 0.000 2.091 251 R HA -0.186 4.155 4.340 0.001 0.000 0.238 251 R C 1.858 178.284 176.300 0.209 0.000 1.136 251 R CA 2.043 58.308 56.100 0.275 0.000 0.959 251 R CB -0.208 30.148 30.300 0.094 0.000 0.856 251 R HN 0.365 nan 8.270 nan 0.000 0.437 252 E N -0.011 120.249 120.200 0.101 0.000 2.072 252 E HA -0.171 4.179 4.350 0.001 0.000 0.191 252 E C 2.025 178.651 176.600 0.043 0.000 0.985 252 E CA 1.201 57.640 56.400 0.065 0.000 0.801 252 E CB -0.062 29.660 29.700 0.036 0.000 0.750 252 E HN 0.491 nan 8.360 nan 0.000 0.452 253 E N 0.451 120.665 120.200 0.023 0.000 2.072 253 E HA -0.148 4.202 4.350 0.001 0.000 0.191 253 E C 2.189 178.777 176.600 -0.021 0.000 0.985 253 E CA 0.977 57.372 56.400 -0.008 0.000 0.801 253 E CB 0.125 29.807 29.700 -0.030 0.000 0.750 253 E HN 0.044 nan 8.360 nan 0.000 0.452 254 V N 2.085 121.989 119.914 -0.018 0.000 2.270 254 V HA -0.264 3.857 4.120 0.001 0.000 0.245 254 V C 2.469 178.515 176.094 -0.080 0.000 1.043 254 V CA 2.182 64.423 62.300 -0.099 0.000 1.014 254 V CB -0.669 31.013 31.823 -0.236 0.000 0.645 254 V HN 0.403 nan 8.190 nan 0.000 0.447 255 E N 1.006 121.213 120.200 0.013 0.000 2.077 255 E HA -0.160 4.190 4.350 0.001 0.000 0.193 255 E C 2.253 178.867 176.600 0.022 0.000 0.989 255 E CA 1.700 58.127 56.400 0.045 0.000 0.800 255 E CB -0.730 29.049 29.700 0.132 0.000 0.746 255 E HN 0.484 nan 8.360 nan 0.000 0.452 256 G N 1.279 110.091 108.800 0.019 0.000 2.421 256 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 256 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 256 G C 1.793 176.689 174.900 -0.006 0.000 1.171 256 G CA 1.278 46.383 45.100 0.009 0.000 0.775 256 G HN 0.459 nan 8.290 nan 0.000 0.543 257 A N 0.565 123.372 122.820 -0.021 0.000 1.873 257 A HA 0.121 4.442 4.320 0.001 0.000 0.215 257 A C 2.444 180.010 177.584 -0.029 0.000 1.186 257 A CA 1.252 53.271 52.037 -0.030 0.000 0.616 257 A CB -0.433 18.539 19.000 -0.046 0.000 0.823 257 A HN 0.339 nan 8.150 nan 0.000 0.442 258 L N -1.296 119.904 121.223 -0.039 0.000 2.093 258 L HA -0.154 4.187 4.340 0.001 0.000 0.208 258 L C 2.862 179.733 176.870 0.001 0.000 1.085 258 L CA 1.303 56.125 54.840 -0.031 0.000 0.755 258 L CB -0.461 41.565 42.059 -0.055 0.000 0.904 258 L HN 0.360 nan 8.230 nan 0.000 0.435 259 R N -0.082 120.423 120.500 0.009 0.000 2.090 259 R HA -0.051 4.290 4.340 0.001 0.000 0.228 259 R C 2.445 178.756 176.300 0.017 0.000 1.110 259 R CA 1.124 57.238 56.100 0.023 0.000 0.973 259 R CB -0.378 29.939 30.300 0.027 0.000 0.869 259 R HN 0.302 nan 8.270 nan 0.000 0.440 260 A N 0.917 123.741 122.820 0.007 0.000 2.019 260 A HA -0.107 4.213 4.320 0.001 0.000 0.219 260 A C 1.980 179.566 177.584 0.003 0.000 1.164 260 A CA 1.148 53.187 52.037 0.003 0.000 0.644 260 A CB -0.333 18.665 19.000 -0.003 0.000 0.805 260 A HN 0.202 nan 8.150 nan 0.000 0.449 261 L N -2.230 118.995 121.223 0.002 0.000 2.509 261 L HA 0.211 4.551 4.340 0.001 0.000 0.222 261 L C 1.696 178.575 176.870 0.015 0.000 1.123 261 L CA 0.686 55.527 54.840 0.002 0.000 0.856 261 L CB 0.132 42.185 42.059 -0.009 0.000 0.985 261 L HN 0.586 nan 8.230 nan 0.000 0.456 262 G N -0.684 108.135 108.800 0.031 0.000 2.227 262 G HA2 -0.190 3.770 3.960 0.001 0.000 0.168 262 G HA3 -0.190 3.770 3.960 0.001 0.000 0.168 262 G C 0.138 175.103 174.900 0.108 0.000 1.006 262 G CA -0.280 44.853 45.100 0.055 0.000 0.684 262 G HN -0.010 nan 8.290 nan 0.000 0.489 263 V N 1.128 121.106 119.914 0.107 0.000 2.715 263 V HA 0.344 4.465 4.120 0.001 0.000 0.299 263 V C 0.782 176.990 176.094 0.191 0.000 1.054 263 V CA 0.111 62.536 62.300 0.209 0.000 1.077 263 V CB 1.459 33.344 31.823 0.104 0.000 0.972 263 V HN 0.385 nan 8.190 nan 0.000 0.484 264 N N 3.817 122.666 118.700 0.248 0.000 2.602 264 N HA 0.330 5.071 4.740 0.001 0.000 0.238 264 N C -0.958 174.603 175.510 0.086 0.000 1.084 264 N CA -0.282 52.778 53.050 0.016 0.000 0.952 264 N CB 0.382 38.706 38.487 -0.272 0.000 1.244 264 N HN 0.596 nan 8.380 nan 0.000 0.512 265 L N 3.355 124.631 121.223 0.087 0.000 2.309 265 L HA 0.626 4.966 4.340 0.001 0.000 0.282 265 L C -1.345 175.587 176.870 0.103 0.000 1.036 265 L CA -0.878 54.023 54.840 0.102 0.000 0.806 265 L CB 1.303 43.415 42.059 0.089 0.000 1.220 265 L HN 0.435 nan 8.230 nan 0.000 0.429 266 L N 6.260 127.560 121.223 0.128 0.000 2.342 266 L HA 0.568 4.909 4.340 0.001 0.000 0.276 266 L C -1.238 175.729 176.870 0.161 0.000 0.997 266 L CA -0.314 54.599 54.840 0.121 0.000 0.838 266 L CB 1.633 43.754 42.059 0.103 0.000 1.224 266 L HN 0.353 nan 8.230 nan 0.000 0.416 267 V N 5.982 125.983 119.914 0.146 0.000 2.406 267 V HA 0.392 4.513 4.120 0.001 0.000 0.272 267 V C -0.066 176.072 176.094 0.074 0.000 1.043 267 V CA -0.562 61.823 62.300 0.142 0.000 0.915 267 V CB 1.482 33.385 31.823 0.133 0.000 0.988 267 V HN 0.517 nan 8.190 nan 0.000 0.466 268 V N 4.331 124.275 119.914 0.050 0.000 2.333 268 V HA 0.253 4.374 4.120 0.001 0.000 0.274 268 V C 0.156 176.259 176.094 0.014 0.000 1.028 268 V CA -0.579 61.747 62.300 0.044 0.000 0.851 268 V CB 1.475 33.344 31.823 0.076 0.000 1.000 268 V HN 0.874 nan 8.190 nan 0.000 0.456 269 D N 4.887 125.303 120.400 0.025 0.000 2.344 269 D HA 0.364 5.005 4.640 0.001 0.000 0.253 269 D C 0.438 176.785 176.300 0.077 0.000 1.255 269 D CA 0.116 54.133 54.000 0.028 0.000 0.894 269 D CB 1.597 42.414 40.800 0.029 0.000 1.067 269 D HN 0.649 nan 8.370 nan 0.000 0.492 270 A N 4.509 127.405 122.820 0.126 0.000 2.605 270 A HA 0.120 4.440 4.320 0.001 0.000 0.292 270 A C 1.647 179.437 177.584 0.343 0.000 1.055 270 A CA -0.409 51.779 52.037 0.251 0.000 0.969 270 A CB 0.216 19.466 19.000 0.417 0.000 1.236 270 A HN 0.513 nan 8.150 nan 0.000 0.534 271 K N 1.160 121.676 120.400 0.192 0.000 2.001 271 K HA -0.221 4.099 4.320 0.001 0.000 0.214 271 K C 1.936 178.649 176.600 0.188 0.000 1.050 271 K CA 1.773 58.163 56.287 0.172 0.000 0.934 271 K CB -0.112 32.442 32.500 0.088 0.000 0.718 271 K HN 0.628 nan 8.250 nan 0.000 0.443 272 E N 1.900 122.177 120.200 0.129 0.000 2.085 272 E HA -0.272 4.078 4.350 0.001 0.000 0.194 272 E C 2.018 178.678 176.600 0.100 0.000 0.994 272 E CA 1.437 57.895 56.400 0.096 0.000 0.801 272 E CB -0.505 29.233 29.700 0.064 0.000 0.743 272 E HN 0.292 nan 8.360 nan 0.000 0.453 273 R N -0.255 120.311 120.500 0.109 0.000 2.080 273 R HA -0.136 4.205 4.340 0.001 0.000 0.236 273 R C 2.429 178.720 176.300 -0.016 0.000 1.137 273 R CA 1.934 58.048 56.100 0.023 0.000 0.943 273 R CB -0.393 29.902 30.300 -0.009 0.000 0.846 273 R HN 0.201 nan 8.270 nan 0.000 0.431 274 F N 0.192 120.177 119.950 0.059 0.000 2.128 274 F HA -0.144 4.383 4.527 0.001 0.000 0.295 274 F C 2.171 177.991 175.800 0.035 0.000 1.100 274 F CA 0.714 58.749 58.000 0.059 0.000 1.260 274 F CB -0.503 38.547 39.000 0.083 0.000 1.009 274 F HN 0.085 nan 8.300 nan 0.000 0.476 275 L N 0.881 122.240 121.223 0.226 0.000 1.971 275 L HA -0.244 4.096 4.340 0.001 0.000 0.215 275 L C 2.127 179.047 176.870 0.083 0.000 1.072 275 L CA 1.980 56.895 54.840 0.126 0.000 0.758 275 L CB -0.828 41.289 42.059 0.097 0.000 0.889 275 L HN 0.022 nan 8.230 nan 0.000 0.433 276 K N -0.773 119.666 120.400 0.064 0.000 2.147 276 K HA -0.082 4.238 4.320 0.001 0.000 0.205 276 K C 1.908 178.522 176.600 0.024 0.000 1.049 276 K CA 1.214 57.523 56.287 0.036 0.000 0.936 276 K CB -0.370 32.145 32.500 0.025 0.000 0.722 276 K HN 0.478 nan 8.250 nan 0.000 0.446 277 A N 0.592 123.421 122.820 0.015 0.000 2.168 277 A HA -0.004 4.317 4.320 0.001 0.000 0.215 277 A C 1.771 179.369 177.584 0.024 0.000 1.152 277 A CA 0.887 52.920 52.037 -0.005 0.000 0.716 277 A CB -0.168 18.792 19.000 -0.067 0.000 0.794 277 A HN 0.173 nan 8.150 nan 0.000 0.465 278 L N -1.284 119.968 121.223 0.049 0.000 2.638 278 L HA 0.145 4.485 4.340 0.001 0.000 0.232 278 L C 0.938 177.832 176.870 0.041 0.000 1.099 278 L CA -0.205 54.667 54.840 0.053 0.000 0.883 278 L CB 0.046 42.148 42.059 0.073 0.000 1.136 278 L HN 0.226 nan 8.230 nan 0.000 0.492 279 K N 0.992 121.414 120.400 0.037 0.000 2.569 279 K HA -0.052 4.268 4.320 0.001 0.000 0.280 279 K C 1.191 177.808 176.600 0.028 0.000 0.984 279 K CA 1.021 57.327 56.287 0.032 0.000 1.064 279 K CB 0.207 32.723 32.500 0.027 0.000 0.866 279 K HN 0.257 nan 8.250 nan 0.000 0.492 280 G N 2.055 110.872 108.800 0.028 0.000 2.200 280 G HA2 -0.257 3.703 3.960 0.001 0.000 0.267 280 G HA3 -0.257 3.703 3.960 0.001 0.000 0.267 280 G C -0.059 174.857 174.900 0.026 0.000 0.993 280 G CA 0.421 45.536 45.100 0.025 0.000 0.701 280 G HN 0.466 nan 8.290 nan 0.000 0.524 281 V N 0.025 119.956 119.914 0.029 0.000 2.364 281 V HA 0.428 4.549 4.120 0.001 0.000 0.272 281 V C 0.911 177.024 176.094 0.031 0.000 1.036 281 V CA 0.271 62.588 62.300 0.029 0.000 0.880 281 V CB 1.391 33.233 31.823 0.032 0.000 0.991 281 V HN 0.481 nan 8.190 nan 0.000 0.460 282 E N 1.787 122.004 120.200 0.029 0.000 2.421 282 E HA 0.061 4.411 4.350 0.001 0.000 0.209 282 E C 0.190 176.808 176.600 0.030 0.000 0.871 282 E CA -0.179 56.239 56.400 0.031 0.000 1.064 282 E CB 0.532 30.250 29.700 0.031 0.000 1.075 282 E HN 0.810 nan 8.360 nan 0.000 0.513 283 D N 2.920 123.335 120.400 0.026 0.000 2.412 283 D HA -0.027 4.613 4.640 0.001 0.000 0.257 283 D C -1.261 175.054 176.300 0.026 0.000 1.217 283 D CA -1.538 52.477 54.000 0.024 0.000 0.897 283 D CB 1.093 41.905 40.800 0.020 0.000 1.132 283 D HN -0.118 nan 8.370 nan 0.000 0.493 284 P HA -0.233 nan 4.420 nan 0.000 0.216 284 P C 1.112 178.426 177.300 0.023 0.000 1.150 284 P CA 1.156 64.272 63.100 0.027 0.000 0.843 284 P CB 0.226 31.945 31.700 0.032 0.000 0.787 285 E N -0.020 120.193 120.200 0.021 0.000 2.150 285 E HA -0.220 4.130 4.350 0.001 0.000 0.193 285 E C 2.111 178.726 176.600 0.025 0.000 0.985 285 E CA 0.872 57.284 56.400 0.020 0.000 0.814 285 E CB -0.069 29.641 29.700 0.017 0.000 0.752 285 E HN 0.071 nan 8.360 nan 0.000 0.466 286 E N 0.990 121.205 120.200 0.025 0.000 2.046 286 E HA -0.140 4.211 4.350 0.001 0.000 0.190 286 E C 1.813 178.434 176.600 0.036 0.000 0.982 286 E CA 1.367 57.784 56.400 0.029 0.000 0.800 286 E CB 0.067 29.783 29.700 0.026 0.000 0.756 286 E HN 0.118 nan 8.360 nan 0.000 0.449 287 K N -0.020 120.400 120.400 0.034 0.000 2.044 287 K HA -0.169 4.152 4.320 0.001 0.000 0.210 287 K C 2.380 179.008 176.600 0.048 0.000 1.049 287 K CA 1.755 58.066 56.287 0.040 0.000 0.927 287 K CB -0.172 32.344 32.500 0.027 0.000 0.713 287 K HN 0.055 nan 8.250 nan 0.000 0.443 288 R N 0.875 121.397 120.500 0.036 0.000 2.092 288 R HA -0.086 4.254 4.340 0.001 0.000 0.231 288 R C 2.249 178.585 176.300 0.058 0.000 1.119 288 R CA 1.315 57.438 56.100 0.038 0.000 0.970 288 R CB -0.063 30.250 30.300 0.021 0.000 0.864 288 R HN 0.153 nan 8.270 nan 0.000 0.440 289 K N 0.570 121.001 120.400 0.052 0.000 2.002 289 K HA -0.093 4.227 4.320 0.001 0.000 0.209 289 K C 2.120 178.764 176.600 0.073 0.000 1.048 289 K CA 1.343 57.665 56.287 0.058 0.000 0.930 289 K CB -0.187 32.339 32.500 0.043 0.000 0.714 289 K HN 0.117 nan 8.250 nan 0.000 0.438 290 I N 1.189 121.800 120.570 0.067 0.000 2.208 290 I HA -0.306 3.864 4.170 0.001 0.000 0.245 290 I C 2.316 178.502 176.117 0.114 0.000 1.097 290 I CA 1.371 62.710 61.300 0.066 0.000 1.363 290 I CB -0.289 37.744 38.000 0.054 0.000 1.051 290 I HN 0.161 nan 8.210 nan 0.000 0.413 291 I N 0.481 121.158 120.570 0.178 0.000 2.315 291 I HA -0.185 3.985 4.170 0.001 0.000 0.248 291 I C 2.642 178.986 176.117 0.379 0.000 1.117 291 I CA 1.469 62.978 61.300 0.349 0.000 1.404 291 I CB -0.756 37.391 38.000 0.245 0.000 1.071 291 I HN 0.257 nan 8.210 nan 0.000 0.419 292 G N 1.596 110.535 108.800 0.231 0.000 2.418 292 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 292 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 292 G C 1.730 176.785 174.900 0.258 0.000 1.158 292 G CA 0.856 46.097 45.100 0.236 0.000 0.771 292 G HN 0.418 nan 8.290 nan 0.000 0.545 293 R N 0.247 120.845 120.500 0.163 0.000 2.061 293 R HA 0.006 4.346 4.340 0.001 0.000 0.230 293 R C 2.043 178.394 176.300 0.085 0.000 1.140 293 R CA 1.620 57.786 56.100 0.109 0.000 0.940 293 R CB -0.690 29.642 30.300 0.053 0.000 0.839 293 R HN 0.148 nan 8.270 nan 0.000 0.429 294 E N 0.444 120.647 120.200 0.005 0.000 2.171 294 E HA -0.214 4.136 4.350 0.001 0.000 0.197 294 E C 1.698 178.291 176.600 -0.012 0.000 0.997 294 E CA 1.222 57.486 56.400 -0.226 0.000 0.810 294 E CB -0.347 28.876 29.700 -0.795 0.000 0.738 294 E HN 0.423 nan 8.360 nan 0.000 0.467 295 F N 1.114 121.202 119.950 0.230 0.000 2.128 295 F HA -0.150 4.377 4.527 0.001 0.000 0.295 295 F C 2.246 178.194 175.800 0.247 0.000 1.100 295 F CA 0.849 59.072 58.000 0.372 0.000 1.260 295 F CB -0.325 38.868 39.000 0.320 0.000 1.009 295 F HN -0.220 nan 8.300 nan 0.000 0.476 296 V N 0.952 120.942 119.914 0.127 0.000 2.392 296 V HA -0.334 3.786 4.120 0.001 0.000 0.249 296 V C 2.744 178.837 176.094 -0.002 0.000 1.059 296 V CA 1.771 64.106 62.300 0.058 0.000 1.051 296 V CB -1.700 30.217 31.823 0.157 0.000 0.658 296 V HN 0.520 nan 8.190 nan 0.000 0.455 297 A N 0.192 123.009 122.820 -0.005 0.000 1.835 297 A HA -0.143 4.178 4.320 0.001 0.000 0.215 297 A C 2.459 180.017 177.584 -0.044 0.000 1.199 297 A CA 2.278 54.300 52.037 -0.025 0.000 0.615 297 A CB -1.068 17.903 19.000 -0.048 0.000 0.838 297 A HN 0.584 nan 8.150 nan 0.000 0.444 298 A N -1.767 121.023 122.820 -0.051 0.000 1.978 298 A HA -0.055 4.266 4.320 0.001 0.000 0.220 298 A C 2.049 179.608 177.584 -0.042 0.000 1.170 298 A CA 1.754 53.778 52.037 -0.021 0.000 0.636 298 A CB -0.660 18.383 19.000 0.071 0.000 0.810 298 A HN 0.654 nan 8.150 nan 0.000 0.448 299 F N 0.891 120.638 119.950 -0.338 0.000 2.163 299 F HA -0.051 4.477 4.527 0.001 0.000 0.297 299 F C 2.573 178.289 175.800 -0.140 0.000 1.094 299 F CA 1.478 59.274 58.000 -0.339 0.000 1.290 299 F CB -0.445 38.147 39.000 -0.680 0.000 1.017 299 F HN 0.186 nan 8.300 nan 0.000 0.483 300 S N 0.052 115.685 115.700 -0.111 0.000 2.359 300 S HA -0.286 4.184 4.470 0.001 0.000 0.224 300 S C 2.008 176.547 174.600 -0.101 0.000 1.035 300 S CA 1.453 59.600 58.200 -0.089 0.000 1.018 300 S CB -0.538 62.667 63.200 0.009 0.000 0.876 300 S HN 0.550 nan 8.310 nan 0.000 0.448 301 Q N 0.720 120.474 119.800 -0.076 0.000 2.014 301 Q HA -0.170 4.171 4.340 0.001 0.000 0.207 301 Q C 2.102 178.066 176.000 -0.061 0.000 0.993 301 Q CA 2.031 57.804 55.803 -0.050 0.000 0.850 301 Q CB -0.293 28.425 28.738 -0.033 0.000 0.916 301 Q HN 0.397 nan 8.270 nan 0.000 0.417 302 V N 1.114 120.966 119.914 -0.103 0.000 2.392 302 V HA -0.315 3.806 4.120 0.001 0.000 0.249 302 V C 2.388 178.440 176.094 -0.071 0.000 1.059 302 V CA 1.761 64.007 62.300 -0.089 0.000 1.051 302 V CB -1.242 30.506 31.823 -0.126 0.000 0.658 302 V HN 0.534 nan 8.190 nan 0.000 0.455 303 A N 1.402 124.117 122.820 -0.175 0.000 1.883 303 A HA -0.189 4.131 4.320 0.001 0.000 0.217 303 A C 1.836 179.517 177.584 0.162 0.000 1.186 303 A CA 1.635 53.673 52.037 0.001 0.000 0.624 303 A CB -0.357 18.623 19.000 -0.033 0.000 0.822 303 A HN 0.715 nan 8.150 nan 0.000 0.444 304 R N -0.729 119.805 120.500 0.057 0.000 4.017 304 R HA 0.513 4.854 4.340 0.001 0.000 0.272 304 R C -0.619 175.689 176.300 0.014 0.000 1.516 304 R CA 0.121 56.242 56.100 0.035 0.000 1.519 304 R CB -0.026 30.278 30.300 0.006 0.000 1.422 304 R HN 0.529 nan 8.270 nan 0.000 0.719 305 E N 0.463 120.678 120.200 0.025 0.000 2.318 305 E HA 0.101 4.451 4.350 0.001 0.000 0.180 305 E C 0.561 177.169 176.600 0.014 0.000 0.931 305 E CA -0.063 56.343 56.400 0.011 0.000 1.396 305 E CB 0.724 30.430 29.700 0.010 0.000 2.229 305 E HN 0.357 nan 8.360 nan 0.000 0.855 306 R N 0.170 120.694 120.500 0.040 0.000 2.526 306 R HA 0.211 4.552 4.340 0.001 0.000 0.346 306 R C 0.881 177.092 176.300 -0.148 0.000 0.926 306 R CA 0.241 56.352 56.100 0.019 0.000 1.147 306 R CB 1.465 31.839 30.300 0.123 0.000 1.629 306 R HN -0.029 nan 8.270 nan 0.000 0.516 307 G N 2.556 111.261 108.800 -0.158 0.000 2.468 307 G HA2 0.205 4.165 3.960 0.001 0.000 0.264 307 G HA3 0.205 4.165 3.960 0.001 0.000 0.264 307 G C -1.769 172.884 174.900 -0.410 0.000 1.460 307 G CA -0.508 44.262 45.100 -0.551 0.000 1.060 307 G HN -0.058 nan 8.290 nan 0.000 0.543 308 P HA 0.448 nan 4.420 nan 0.000 0.277 308 P C -1.487 175.538 177.300 -0.458 0.000 1.276 308 P CA -0.166 62.787 63.100 -0.244 0.000 0.788 308 P CB 0.828 32.453 31.700 -0.125 0.000 1.114 309 F N -1.413 118.649 119.950 0.187 0.000 2.574 309 F HA 0.405 4.933 4.527 0.001 0.000 0.313 309 F C 1.554 177.503 175.800 0.249 0.000 1.130 309 F CA -0.686 57.456 58.000 0.236 0.000 0.936 309 F CB 2.137 41.307 39.000 0.283 0.000 1.219 309 F HN 0.228 nan 8.300 nan 0.000 0.445 310 R N 1.745 122.369 120.500 0.207 0.000 2.100 310 R HA 0.194 4.534 4.340 0.001 0.000 0.220 310 R C -0.440 175.741 176.300 -0.200 0.000 1.091 310 R CA 1.041 57.068 56.100 -0.122 0.000 0.986 310 R CB 0.231 30.249 30.300 -0.470 0.000 0.888 310 R HN 0.407 nan 8.270 nan 0.000 0.444 311 F N 0.373 120.479 119.950 0.260 0.000 2.492 311 F HA 0.398 4.925 4.527 0.001 0.000 0.327 311 F C -0.451 175.318 175.800 -0.052 0.000 1.079 311 F CA -1.204 56.874 58.000 0.130 0.000 0.967 311 F CB 1.674 40.718 39.000 0.073 0.000 1.169 311 F HN -0.169 nan 8.300 nan 0.000 0.472 312 L N 2.844 124.128 121.223 0.101 0.000 2.377 312 L HA 0.788 5.129 4.340 0.001 0.000 0.270 312 L C -0.560 176.297 176.870 -0.022 0.000 0.991 312 L CA -0.529 54.220 54.840 -0.152 0.000 0.851 312 L CB 0.748 42.663 42.059 -0.239 0.000 1.218 312 L HN 0.679 nan 8.230 nan 0.000 0.420 313 A N 4.778 127.562 122.820 -0.060 0.000 2.331 313 A HA 0.728 5.048 4.320 0.001 0.000 0.283 313 A C -0.438 177.090 177.584 -0.092 0.000 1.142 313 A CA -0.275 51.708 52.037 -0.090 0.000 0.812 313 A CB 0.508 19.426 19.000 -0.136 0.000 1.074 313 A HN 0.762 nan 8.150 nan 0.000 0.497 314 Q N 0.566 120.306 119.800 -0.099 0.000 2.359 314 Q HA 0.471 4.811 4.340 0.001 0.000 0.274 314 Q C 0.454 176.401 176.000 -0.089 0.000 1.074 314 Q CA -0.396 55.363 55.803 -0.073 0.000 0.810 314 Q CB 2.201 30.923 28.738 -0.027 0.000 1.342 314 Q HN 0.871 nan 8.270 nan 0.000 0.427 315 G N 1.048 109.828 108.800 -0.033 0.000 3.332 315 G HA2 -0.018 3.943 3.960 0.001 0.000 0.242 315 G HA3 -0.018 3.943 3.960 0.001 0.000 0.242 315 G C 0.440 175.406 174.900 0.110 0.000 1.276 315 G CA -0.117 45.020 45.100 0.062 0.000 0.988 315 G HN 0.596 nan 8.290 nan 0.000 0.517 316 T N -0.238 114.349 114.554 0.056 0.000 2.866 316 T HA 0.287 4.637 4.350 0.001 0.000 0.293 316 T C 0.383 175.147 174.700 0.108 0.000 1.005 316 T CA -0.034 62.105 62.100 0.065 0.000 1.162 316 T CB 0.975 69.869 68.868 0.044 0.000 0.968 316 T HN 0.061 nan 8.240 nan 0.000 0.530 317 L N 2.780 124.056 121.223 0.087 0.000 2.365 317 L HA 0.374 4.714 4.340 0.001 0.000 0.267 317 L C 1.458 178.356 176.870 0.047 0.000 1.033 317 L CA -1.343 53.546 54.840 0.082 0.000 0.802 317 L CB 0.557 42.647 42.059 0.052 0.000 1.267 317 L HN 0.599 nan 8.230 nan 0.000 0.457 318 Y N 2.275 122.451 120.300 -0.208 0.000 2.151 318 Y HA -0.137 4.413 4.550 0.001 0.000 0.284 318 Y C -0.772 174.967 175.900 -0.269 0.000 1.166 318 Y CA 1.446 59.361 58.100 -0.307 0.000 1.163 318 Y CB -1.278 36.816 38.460 -0.609 0.000 0.974 318 Y HN 0.425 nan 8.280 nan 0.000 0.511 319 P HA -0.110 nan 4.420 nan 0.000 0.220 319 P C 1.192 178.403 177.300 -0.148 0.000 1.148 319 P CA 2.033 64.998 63.100 -0.225 0.000 0.803 319 P CB 0.047 31.709 31.700 -0.064 0.000 0.782 320 D N -0.981 119.368 120.400 -0.086 0.000 2.123 320 D HA -0.077 4.563 4.640 0.001 0.000 0.200 320 D C 2.005 178.272 176.300 -0.055 0.000 0.976 320 D CA 1.031 55.005 54.000 -0.043 0.000 0.831 320 D CB -0.654 40.145 40.800 -0.003 0.000 0.974 320 D HN 0.010 nan 8.370 nan 0.000 0.469 321 V N 1.608 121.488 119.914 -0.056 0.000 2.407 321 V HA -0.191 3.929 4.120 0.001 0.000 0.248 321 V C 2.537 178.562 176.094 -0.115 0.000 1.055 321 V CA 1.000 63.279 62.300 -0.035 0.000 1.049 321 V CB -0.305 31.560 31.823 0.070 0.000 0.662 321 V HN 0.169 nan 8.190 nan 0.000 0.455 322 I N -0.007 120.403 120.570 -0.265 0.000 2.252 322 I HA -0.233 3.937 4.170 0.001 0.000 0.245 322 I C 2.548 178.575 176.117 -0.149 0.000 1.102 322 I CA 1.834 62.963 61.300 -0.285 0.000 1.385 322 I CB -0.278 37.463 38.000 -0.432 0.000 1.064 322 I HN 0.392 nan 8.210 nan 0.000 0.414 323 E N 0.519 120.650 120.200 -0.115 0.000 2.347 323 E HA -0.110 4.240 4.350 0.001 0.000 0.196 323 E C 1.581 178.156 176.600 -0.042 0.000 1.008 323 E CA 0.636 56.996 56.400 -0.065 0.000 0.852 323 E CB 0.235 29.907 29.700 -0.047 0.000 0.783 323 E HN 0.301 nan 8.360 nan 0.000 0.505 324 S N -0.075 115.601 115.700 -0.040 0.000 2.577 324 S HA 0.331 4.801 4.470 0.001 0.000 0.219 324 S C 0.089 174.680 174.600 -0.015 0.000 0.962 324 S CA 0.032 58.222 58.200 -0.017 0.000 0.921 324 S CB 0.957 64.155 63.200 -0.005 0.000 0.789 324 S HN 0.357 nan 8.310 nan 0.000 0.497 348 F N 1.039 121.003 119.950 0.024 0.000 2.581 348 F HA 0.430 4.957 4.527 0.001 0.000 0.311 348 F C 0.033 175.853 175.800 0.034 0.000 1.113 348 F CA -1.077 56.942 58.000 0.032 0.000 0.935 348 F CB 2.041 41.088 39.000 0.080 0.000 1.232 348 F HN -0.016 nan 8.300 nan 0.000 0.445 349 E N 3.543 123.883 120.200 0.234 0.000 2.174 349 E HA 0.445 4.795 4.350 0.001 0.000 0.282 349 E C -0.918 175.868 176.600 0.310 0.000 0.992 349 E CA -0.490 56.030 56.400 0.200 0.000 0.803 349 E CB 0.935 30.695 29.700 0.100 0.000 1.090 349 E HN 0.608 nan 8.360 nan 0.000 0.396 350 L N 5.095 126.453 121.223 0.225 0.000 2.456 350 L HA 0.155 4.495 4.340 0.001 0.000 0.272 350 L C 0.002 176.960 176.870 0.147 0.000 1.189 350 L CA 0.109 55.050 54.840 0.168 0.000 0.846 350 L CB 0.395 42.521 42.059 0.111 0.000 1.111 350 L HN 0.545 nan 8.230 nan 0.000 0.475 351 L N 4.180 125.442 121.223 0.065 0.000 2.388 351 L HA 0.333 4.674 4.340 0.001 0.000 0.267 351 L C -0.709 176.103 176.870 -0.097 0.000 0.995 351 L CA -0.237 54.574 54.840 -0.049 0.000 0.864 351 L CB 1.079 43.058 42.059 -0.133 0.000 1.216 351 L HN 0.663 nan 8.230 nan 0.000 0.430 352 E N 5.377 125.526 120.200 -0.086 0.000 2.916 352 E HA 0.218 4.568 4.350 0.001 0.000 0.217 352 E C -1.968 174.561 176.600 -0.119 0.000 1.100 352 E CA -1.539 54.801 56.400 -0.100 0.000 0.891 352 E CB 1.144 30.832 29.700 -0.020 0.000 1.311 352 E HN 0.433 nan 8.360 nan 0.000 0.421 353 P HA -0.087 nan 4.420 nan 0.000 0.223 353 P C 0.246 177.557 177.300 0.018 0.000 1.151 353 P CA 0.836 63.804 63.100 -0.221 0.000 0.787 353 P CB 0.158 31.596 31.700 -0.437 0.000 0.788 354 F N -0.476 119.470 119.950 -0.007 0.000 2.664 354 F HA 0.249 4.776 4.527 0.001 0.000 0.303 354 F C 1.910 177.727 175.800 0.029 0.000 1.092 354 F CA -0.873 57.136 58.000 0.014 0.000 1.305 354 F CB -0.960 38.045 39.000 0.008 0.000 1.054 354 F HN -0.074 nan 8.300 nan 0.000 0.565 355 R N 0.768 121.374 120.500 0.178 0.000 2.211 355 R HA -0.118 4.222 4.340 0.001 0.000 0.240 355 R C 0.791 177.174 176.300 0.137 0.000 1.144 355 R CA 1.483 57.665 56.100 0.137 0.000 0.992 355 R CB -0.689 29.670 30.300 0.099 0.000 0.869 355 R HN 0.334 nan 8.270 nan 0.000 0.462 356 L N 0.978 122.253 121.223 0.086 0.000 2.818 356 L HA 0.316 4.657 4.340 0.001 0.000 0.243 356 L C -0.598 176.214 176.870 -0.096 0.000 1.185 356 L CA -0.505 54.263 54.840 -0.120 0.000 0.988 356 L CB 0.299 42.349 42.059 -0.014 0.000 1.292 356 L HN 0.032 nan 8.230 nan 0.000 0.519 357 L N -0.951 120.305 121.223 0.055 0.000 2.333 357 L HA 0.511 4.852 4.340 0.001 0.000 0.269 357 L C -0.214 176.633 176.870 -0.039 0.000 1.010 357 L CA -0.251 54.663 54.840 0.125 0.000 0.818 357 L CB 1.341 43.508 42.059 0.180 0.000 1.306 357 L HN -0.216 nan 8.230 nan 0.000 0.430 358 F N 0.477 120.514 119.950 0.145 0.000 2.380 358 F HA 0.323 4.851 4.527 0.001 0.000 0.321 358 F C 1.635 177.446 175.800 0.018 0.000 1.103 358 F CA -0.271 57.769 58.000 0.066 0.000 1.067 358 F CB 0.831 39.832 39.000 0.001 0.000 1.265 358 F HN 0.522 nan 8.300 nan 0.000 0.517 359 K N 0.877 121.387 120.400 0.182 0.000 2.063 359 K HA -0.198 4.123 4.320 0.001 0.000 0.208 359 K C 1.668 178.298 176.600 0.051 0.000 1.048 359 K CA 1.987 58.322 56.287 0.079 0.000 0.928 359 K CB -0.294 32.258 32.500 0.085 0.000 0.713 359 K HN 0.811 nan 8.250 nan 0.000 0.442 360 D N 0.418 120.867 120.400 0.082 0.000 2.221 360 D HA -0.226 4.414 4.640 0.001 0.000 0.204 360 D C 1.081 177.401 176.300 0.032 0.000 0.982 360 D CA 1.342 55.374 54.000 0.052 0.000 0.857 360 D CB -0.214 40.615 40.800 0.048 0.000 0.934 360 D HN 0.490 nan 8.370 nan 0.000 0.475 361 E N 0.364 120.606 120.200 0.070 0.000 2.152 361 E HA -0.051 4.300 4.350 0.001 0.000 0.192 361 E C 2.464 178.994 176.600 -0.116 0.000 0.983 361 E CA 0.473 56.892 56.400 0.032 0.000 0.818 361 E CB 0.168 29.982 29.700 0.190 0.000 0.758 361 E HN 0.162 nan 8.360 nan 0.000 0.467 362 V N 1.381 121.187 119.914 -0.179 0.000 2.427 362 V HA -0.205 3.916 4.120 0.001 0.000 0.248 362 V C 2.191 178.144 176.094 -0.234 0.000 1.051 362 V CA 1.537 63.607 62.300 -0.383 0.000 1.048 362 V CB -0.440 31.097 31.823 -0.477 0.000 0.666 362 V HN 0.174 nan 8.190 nan 0.000 0.456 363 R N -0.186 120.241 120.500 -0.122 0.000 2.120 363 R HA -0.125 4.215 4.340 0.001 0.000 0.234 363 R C 2.283 178.535 176.300 -0.080 0.000 1.123 363 R CA 1.156 57.211 56.100 -0.075 0.000 0.975 363 R CB -0.181 30.104 30.300 -0.025 0.000 0.866 363 R HN 0.507 nan 8.270 nan 0.000 0.446 364 E N 0.703 120.850 120.200 -0.088 0.000 2.152 364 E HA -0.101 4.249 4.350 0.001 0.000 0.192 364 E C 2.100 178.632 176.600 -0.113 0.000 0.983 364 E CA 0.764 57.112 56.400 -0.087 0.000 0.818 364 E CB -0.020 29.630 29.700 -0.083 0.000 0.758 364 E HN 0.361 nan 8.360 nan 0.000 0.467 365 L N 0.472 121.602 121.223 -0.156 0.000 2.093 365 L HA -0.106 4.235 4.340 0.001 0.000 0.208 365 L C 2.534 179.338 176.870 -0.109 0.000 1.085 365 L CA 0.964 55.711 54.840 -0.154 0.000 0.755 365 L CB -0.568 41.361 42.059 -0.216 0.000 0.904 365 L HN 0.052 nan 8.230 nan 0.000 0.435 366 A N 0.228 122.982 122.820 -0.111 0.000 1.908 366 A HA -0.245 4.076 4.320 0.001 0.000 0.218 366 A C 2.319 179.867 177.584 -0.060 0.000 1.181 366 A CA 1.639 53.631 52.037 -0.074 0.000 0.627 366 A CB -0.751 18.206 19.000 -0.071 0.000 0.818 366 A HN 0.413 nan 8.150 nan 0.000 0.445 367 L N -1.132 120.054 121.223 -0.062 0.000 2.012 367 L HA -0.180 4.161 4.340 0.001 0.000 0.210 367 L C 2.324 179.164 176.870 -0.050 0.000 1.073 367 L CA 1.465 56.275 54.840 -0.051 0.000 0.748 367 L CB -0.258 41.772 42.059 -0.049 0.000 0.891 367 L HN 0.334 nan 8.230 nan 0.000 0.431 368 L N -0.355 120.833 121.223 -0.058 0.000 2.191 368 L HA -0.190 4.150 4.340 0.001 0.000 0.212 368 L C 2.111 178.954 176.870 -0.045 0.000 1.103 368 L CA 1.568 56.375 54.840 -0.054 0.000 0.769 368 L CB -0.505 41.514 42.059 -0.068 0.000 0.908 368 L HN 0.254 nan 8.230 nan 0.000 0.438 369 L N -1.269 119.927 121.223 -0.044 0.000 2.592 369 L HA 0.223 4.563 4.340 0.001 0.000 0.227 369 L C 1.330 178.181 176.870 -0.032 0.000 1.127 369 L CA 0.514 55.333 54.840 -0.035 0.000 0.884 369 L CB -0.327 41.714 42.059 -0.030 0.000 1.065 369 L HN 0.451 nan 8.230 nan 0.000 0.457 370 G N 0.738 109.517 108.800 -0.034 0.000 2.136 370 G HA2 -0.287 3.673 3.960 0.001 0.000 0.242 370 G HA3 -0.287 3.673 3.960 0.001 0.000 0.242 370 G C -0.052 174.828 174.900 -0.034 0.000 0.989 370 G CA -0.106 44.975 45.100 -0.032 0.000 0.682 370 G HN 0.170 nan 8.290 nan 0.000 0.522 371 L N 2.682 123.882 121.223 -0.038 0.000 2.455 371 L HA 0.489 4.829 4.340 0.001 0.000 0.272 371 L C -1.124 175.720 176.870 -0.043 0.000 1.174 371 L CA -1.799 53.016 54.840 -0.042 0.000 0.869 371 L CB 0.151 42.183 42.059 -0.045 0.000 1.130 371 L HN 0.078 nan 8.230 nan 0.000 0.474 372 P HA 0.021 nan 4.420 nan 0.000 0.268 372 P C -0.236 177.031 177.300 -0.055 0.000 1.204 372 P CA -0.176 62.896 63.100 -0.048 0.000 0.768 372 P CB 0.689 32.360 31.700 -0.048 0.000 0.842 373 D N 1.963 122.331 120.400 -0.054 0.000 2.254 373 D HA -0.138 4.503 4.640 0.001 0.000 0.201 373 D C 1.612 177.863 176.300 -0.081 0.000 0.998 373 D CA 1.622 55.586 54.000 -0.059 0.000 0.885 373 D CB -0.582 40.185 40.800 -0.055 0.000 0.915 373 D HN 0.419 nan 8.370 nan 0.000 0.460 374 T N 0.386 114.886 114.554 -0.090 0.000 2.759 374 T HA -0.094 4.256 4.350 0.001 0.000 0.269 374 T C 2.026 176.656 174.700 -0.117 0.000 1.042 374 T CA 0.726 62.754 62.100 -0.119 0.000 1.140 374 T CB 0.001 68.807 68.868 -0.103 0.000 0.864 374 T HN 0.216 nan 8.240 nan 0.000 0.455 375 L N -0.520 120.651 121.223 -0.087 0.000 2.590 375 L HA 0.333 4.673 4.340 0.001 0.000 0.227 375 L C 2.540 179.376 176.870 -0.057 0.000 1.099 375 L CA 0.071 54.865 54.840 -0.076 0.000 0.872 375 L CB -0.120 41.894 42.059 -0.074 0.000 1.088 375 L HN 0.045 nan 8.230 nan 0.000 0.479 376 R N 0.803 121.271 120.500 -0.054 0.000 2.127 376 R HA 0.052 4.392 4.340 0.001 0.000 0.217 376 R C 1.359 177.646 176.300 -0.020 0.000 1.074 376 R CA 0.828 56.905 56.100 -0.039 0.000 0.991 376 R CB 0.266 30.541 30.300 -0.042 0.000 0.895 376 R HN 0.297 nan 8.270 nan 0.000 0.450 377 L N 1.234 122.441 121.223 -0.026 0.000 2.872 377 L HA 0.315 4.656 4.340 0.001 0.000 0.245 377 L C -0.069 176.820 176.870 0.032 0.000 1.211 377 L CA -0.350 54.494 54.840 0.007 0.000 1.013 377 L CB 0.345 42.405 42.059 0.001 0.000 1.326 377 L HN -0.010 nan 8.230 nan 0.000 0.525 378 R N -0.593 119.914 120.500 0.012 0.000 2.582 378 R HA 0.285 4.625 4.340 0.001 0.000 0.271 378 R C -0.257 176.101 176.300 0.097 0.000 1.078 378 R CA -0.527 55.600 56.100 0.045 0.000 1.127 378 R CB 0.553 30.859 30.300 0.011 0.000 1.038 378 R HN 0.209 nan 8.270 nan 0.000 0.500 379 H N 1.145 120.351 119.070 0.227 0.000 2.690 379 H HA 0.098 4.655 4.556 0.001 0.000 0.365 379 H C -1.837 173.577 175.328 0.144 0.000 1.142 379 H CA -1.536 54.572 56.048 0.100 0.000 1.417 379 H CB 0.118 29.870 29.762 -0.016 0.000 1.446 379 H HN 0.332 nan 8.280 nan 0.000 0.599 380 P HA -0.078 nan 4.420 nan 0.000 0.266 380 P C -1.158 176.321 177.300 0.299 0.000 1.193 380 P CA 0.445 63.675 63.100 0.217 0.000 0.770 380 P CB 0.398 32.188 31.700 0.150 0.000 0.836 381 F N 3.047 123.049 119.950 0.085 0.000 2.556 381 F HA 0.508 5.036 4.527 0.001 0.000 0.314 381 F C -2.415 173.420 175.800 0.058 0.000 1.106 381 F CA -2.869 55.179 58.000 0.080 0.000 0.911 381 F CB 1.020 40.072 39.000 0.086 0.000 1.190 381 F HN 0.233 nan 8.300 nan 0.000 0.448 382 P HA 0.264 nan 4.420 nan 0.000 0.269 382 P C 0.617 177.733 177.300 -0.307 0.000 1.209 382 P CA 0.026 62.910 63.100 -0.360 0.000 0.776 382 P CB 0.959 32.434 31.700 -0.375 0.000 0.876 383 G N 3.244 111.952 108.800 -0.153 0.000 2.446 383 G HA2 -0.159 3.801 3.960 0.001 0.000 0.217 383 G HA3 -0.159 3.801 3.960 0.001 0.000 0.217 383 G C -0.838 174.022 174.900 -0.067 0.000 1.168 383 G CA 0.499 45.538 45.100 -0.100 0.000 0.771 383 G HN 0.509 nan 8.290 nan 0.000 0.551 384 P HA 0.099 nan 4.420 nan 0.000 0.247 384 P C 1.522 178.631 177.300 -0.318 0.000 1.225 384 P CA 0.996 63.989 63.100 -0.178 0.000 0.768 384 P CB -0.231 31.405 31.700 -0.108 0.000 1.020 385 G N 1.830 110.383 108.800 -0.411 0.000 2.627 385 G HA2 -0.347 3.613 3.960 0.001 0.000 0.312 385 G HA3 -0.347 3.613 3.960 0.001 0.000 0.312 385 G C 0.882 175.560 174.900 -0.371 0.000 1.299 385 G CA 0.391 45.147 45.100 -0.573 0.000 0.989 385 G HN 0.291 nan 8.290 nan 0.000 0.547 386 L N 1.397 122.580 121.223 -0.067 0.000 2.549 386 L HA 0.073 4.414 4.340 0.001 0.000 0.229 386 L C 3.308 180.142 176.870 -0.060 0.000 1.158 386 L CA 1.265 56.105 54.840 -0.001 0.000 0.842 386 L CB -0.821 41.287 42.059 0.082 0.000 0.952 386 L HN 0.713 nan 8.230 nan 0.000 0.452 387 A N 0.513 123.268 122.820 -0.108 0.000 1.933 387 A HA -0.145 4.175 4.320 0.001 0.000 0.218 387 A C 2.046 179.602 177.584 -0.046 0.000 1.175 387 A CA 1.772 53.766 52.037 -0.072 0.000 0.628 387 A CB -0.654 18.297 19.000 -0.082 0.000 0.814 387 A HN 0.333 nan 8.150 nan 0.000 0.444 388 V N -3.687 116.187 119.914 -0.067 0.000 3.636 388 V HA 0.238 4.359 4.120 0.001 0.000 0.279 388 V C 1.161 177.246 176.094 -0.015 0.000 1.263 388 V CA 0.794 63.075 62.300 -0.031 0.000 1.182 388 V CB -0.883 30.914 31.823 -0.043 0.000 0.955 388 V HN 0.465 nan 8.190 nan 0.000 0.443 389 R N -0.373 120.107 120.500 -0.034 0.000 2.565 389 R HA 0.452 4.792 4.340 0.001 0.000 0.347 389 R C -0.552 175.715 176.300 -0.056 0.000 1.010 389 R CA -0.078 55.993 56.100 -0.050 0.000 1.126 389 R CB 1.618 31.892 30.300 -0.044 0.000 1.331 389 R HN 0.438 nan 8.270 nan 0.000 0.552 390 V N 2.089 121.989 119.914 -0.023 0.000 2.378 390 V HA 0.205 4.325 4.120 0.001 0.000 0.288 390 V C -0.444 175.669 176.094 0.031 0.000 1.016 390 V CA -0.795 61.499 62.300 -0.009 0.000 0.840 390 V CB 1.810 33.629 31.823 -0.007 0.000 0.994 390 V HN 0.101 nan 8.190 nan 0.000 0.431 391 L N 6.231 127.487 121.223 0.054 0.000 2.448 391 L HA 0.689 5.030 4.340 0.001 0.000 0.278 391 L C 0.791 177.713 176.870 0.085 0.000 1.201 391 L CA 1.572 56.468 54.840 0.094 0.000 1.036 391 L CB -0.440 41.700 42.059 0.135 0.000 1.325 391 L HN 0.980 nan 8.230 nan 0.000 0.441 392 G N 2.564 111.405 108.800 0.069 0.000 2.270 392 G HA2 -0.090 3.870 3.960 0.001 0.000 0.268 392 G HA3 -0.090 3.870 3.960 0.001 0.000 0.268 392 G C -0.808 174.124 174.900 0.053 0.000 1.312 392 G CA -0.637 44.499 45.100 0.061 0.000 1.050 392 G HN 0.431 nan 8.290 nan 0.000 0.474 393 E N -0.225 120.006 120.200 0.052 0.000 2.376 393 E HA 0.395 4.746 4.350 0.001 0.000 0.266 393 E C 0.092 176.720 176.600 0.046 0.000 1.009 393 E CA -0.429 55.998 56.400 0.046 0.000 0.902 393 E CB 0.868 30.594 29.700 0.044 0.000 0.972 393 E HN 0.421 nan 8.360 nan 0.000 0.439 394 V N 5.537 125.473 119.914 0.036 0.000 2.405 394 V HA 0.141 4.262 4.120 0.001 0.000 0.264 394 V C 0.483 176.596 176.094 0.032 0.000 1.048 394 V CA 0.014 62.331 62.300 0.028 0.000 0.966 394 V CB 0.359 32.194 31.823 0.020 0.000 1.015 394 V HN 0.786 nan 8.190 nan 0.000 0.477 395 T N 0.300 114.872 114.554 0.030 0.000 2.908 395 T HA 0.454 4.804 4.350 0.001 0.000 0.290 395 T C 0.730 175.442 174.700 0.020 0.000 1.034 395 T CA -0.580 61.539 62.100 0.033 0.000 1.010 395 T CB 2.201 71.096 68.868 0.044 0.000 1.068 395 T HN 0.429 nan 8.240 nan 0.000 0.481 396 E N 0.938 121.152 120.200 0.023 0.000 2.097 396 E HA -0.226 4.124 4.350 0.001 0.000 0.196 396 E C 1.812 178.413 176.600 0.003 0.000 1.000 396 E CA 2.101 58.510 56.400 0.015 0.000 0.804 396 E CB -0.258 29.455 29.700 0.022 0.000 0.740 396 E HN 0.860 nan 8.360 nan 0.000 0.454 397 E N -0.106 120.100 120.200 0.010 0.000 2.058 397 E HA -0.255 4.095 4.350 0.001 0.000 0.194 397 E C 2.189 178.762 176.600 -0.046 0.000 0.997 397 E CA 1.204 57.605 56.400 0.001 0.000 0.801 397 E CB -0.054 29.667 29.700 0.034 0.000 0.746 397 E HN 0.207 nan 8.360 nan 0.000 0.450 398 R N 0.033 120.503 120.500 -0.050 0.000 2.075 398 R HA -0.074 4.266 4.340 0.001 0.000 0.232 398 R C 2.643 178.863 176.300 -0.133 0.000 1.126 398 R CA 1.180 57.192 56.100 -0.147 0.000 0.963 398 R CB -0.269 29.985 30.300 -0.076 0.000 0.858 398 R HN 0.252 nan 8.270 nan 0.000 0.435 399 L N 0.641 121.825 121.223 -0.065 0.000 2.083 399 L HA -0.183 4.157 4.340 0.001 0.000 0.209 399 L C 2.686 179.528 176.870 -0.047 0.000 1.083 399 L CA 1.090 55.903 54.840 -0.045 0.000 0.752 399 L CB -0.426 41.623 42.059 -0.017 0.000 0.899 399 L HN 0.236 nan 8.230 nan 0.000 0.433 400 E N 0.797 120.968 120.200 -0.048 0.000 2.110 400 E HA -0.194 4.157 4.350 0.001 0.000 0.193 400 E C 2.204 178.766 176.600 -0.063 0.000 0.988 400 E CA 1.339 57.714 56.400 -0.040 0.000 0.804 400 E CB -0.001 29.683 29.700 -0.028 0.000 0.745 400 E HN 0.519 nan 8.360 nan 0.000 0.458 401 I N 0.487 120.988 120.570 -0.114 0.000 2.286 401 I HA -0.245 3.925 4.170 0.001 0.000 0.245 401 I C 2.509 178.546 176.117 -0.134 0.000 1.104 401 I CA 0.386 61.596 61.300 -0.150 0.000 1.397 401 I CB -0.211 37.614 38.000 -0.292 0.000 1.072 401 I HN 0.129 nan 8.210 nan 0.000 0.417 402 L N 1.009 122.149 121.223 -0.138 0.000 2.056 402 L HA -0.134 4.206 4.340 0.001 0.000 0.207 402 L C 2.591 179.441 176.870 -0.033 0.000 1.078 402 L CA 1.732 56.516 54.840 -0.093 0.000 0.749 402 L CB -0.704 41.304 42.059 -0.084 0.000 0.901 402 L HN 0.065 nan 8.230 nan 0.000 0.433 403 R N -0.646 119.841 120.500 -0.022 0.000 2.103 403 R HA -0.180 4.160 4.340 0.001 0.000 0.242 403 R C 2.346 178.647 176.300 0.002 0.000 1.142 403 R CA 1.978 58.079 56.100 0.002 0.000 0.960 403 R CB -0.328 29.971 30.300 -0.001 0.000 0.858 403 R HN 0.434 nan 8.270 nan 0.000 0.439 404 R N -0.077 120.416 120.500 -0.013 0.000 2.066 404 R HA -0.056 4.285 4.340 0.001 0.000 0.232 404 R C 2.359 178.661 176.300 0.004 0.000 1.131 404 R CA 1.344 57.440 56.100 -0.007 0.000 0.955 404 R CB -0.346 29.944 30.300 -0.018 0.000 0.851 404 R HN 0.199 nan 8.270 nan 0.000 0.432 405 A N 1.271 124.085 122.820 -0.011 0.000 1.873 405 A HA -0.231 4.089 4.320 0.001 0.000 0.215 405 A C 1.807 179.428 177.584 0.061 0.000 1.186 405 A CA 1.878 53.914 52.037 -0.003 0.000 0.616 405 A CB -0.602 18.368 19.000 -0.050 0.000 0.823 405 A HN 0.347 nan 8.150 nan 0.000 0.442 406 D N -0.437 120.007 120.400 0.073 0.000 2.123 406 D HA -0.213 4.427 4.640 0.001 0.000 0.196 406 D C 1.607 178.003 176.300 0.160 0.000 0.992 406 D CA 1.660 55.753 54.000 0.154 0.000 0.833 406 D CB -0.174 40.699 40.800 0.122 0.000 0.954 406 D HN 0.469 nan 8.370 nan 0.000 0.455 407 D N -0.749 119.703 120.400 0.088 0.000 2.117 407 D HA -0.109 4.531 4.640 0.001 0.000 0.198 407 D C 2.067 178.416 176.300 0.081 0.000 0.982 407 D CA 0.946 54.983 54.000 0.060 0.000 0.828 407 D CB -0.126 40.689 40.800 0.026 0.000 0.967 407 D HN 0.347 nan 8.370 nan 0.000 0.464 408 I N -0.295 120.330 120.570 0.092 0.000 2.252 408 I HA -0.184 3.987 4.170 0.001 0.000 0.245 408 I C 1.997 178.220 176.117 0.176 0.000 1.102 408 I CA 0.562 61.920 61.300 0.096 0.000 1.385 408 I CB -0.316 37.720 38.000 0.059 0.000 1.064 408 I HN 0.076 nan 8.210 nan 0.000 0.414 409 F N 1.634 121.604 119.950 0.033 0.000 2.102 409 F HA -0.223 4.305 4.527 0.001 0.000 0.298 409 F C 2.577 178.476 175.800 0.165 0.000 1.105 409 F CA 1.905 59.951 58.000 0.078 0.000 1.239 409 F CB -0.944 38.102 39.000 0.077 0.000 0.991 409 F HN -0.072 nan 8.300 nan 0.000 0.474 410 T N -0.483 114.133 114.554 0.103 0.000 2.746 410 T HA -0.159 4.192 4.350 0.001 0.000 0.267 410 T C 2.306 177.031 174.700 0.042 0.000 1.039 410 T CA 1.728 63.849 62.100 0.036 0.000 1.142 410 T CB -0.405 68.514 68.868 0.085 0.000 0.866 410 T HN 0.248 nan 8.240 nan 0.000 0.444 411 S N 1.028 116.758 115.700 0.051 0.000 2.356 411 S HA -0.029 4.442 4.470 0.001 0.000 0.223 411 S C 1.891 176.551 174.600 0.100 0.000 1.032 411 S CA 0.706 58.932 58.200 0.043 0.000 1.005 411 S CB -0.435 62.791 63.200 0.044 0.000 0.867 411 S HN 0.263 nan 8.310 nan 0.000 0.449 412 L N 1.704 123.010 121.223 0.140 0.000 2.083 412 L HA 0.031 4.371 4.340 0.001 0.000 0.209 412 L C 1.908 178.951 176.870 0.289 0.000 1.083 412 L CA 1.470 56.431 54.840 0.203 0.000 0.752 412 L CB -0.569 41.560 42.059 0.118 0.000 0.899 412 L HN 0.282 nan 8.230 nan 0.000 0.433 413 L N -1.032 120.311 121.223 0.200 0.000 2.046 413 L HA -0.211 4.130 4.340 0.001 0.000 0.208 413 L C 2.761 179.705 176.870 0.123 0.000 1.077 413 L CA 1.357 56.221 54.840 0.039 0.000 0.747 413 L CB -0.441 41.584 42.059 -0.057 0.000 0.896 413 L HN 0.215 nan 8.230 nan 0.000 0.432 414 R N -0.202 120.369 120.500 0.118 0.000 2.073 414 R HA -0.221 4.120 4.340 0.001 0.000 0.234 414 R C 2.217 178.585 176.300 0.113 0.000 1.134 414 R CA 1.678 57.811 56.100 0.055 0.000 0.952 414 R CB -0.372 29.875 30.300 -0.087 0.000 0.850 414 R HN 0.406 nan 8.270 nan 0.000 0.433 415 E N 0.056 120.365 120.200 0.183 0.000 2.085 415 E HA -0.221 4.129 4.350 0.001 0.000 0.194 415 E C 1.108 177.887 176.600 0.298 0.000 0.994 415 E CA 1.318 57.861 56.400 0.238 0.000 0.801 415 E CB -0.051 29.847 29.700 0.331 0.000 0.743 415 E HN 0.355 nan 8.360 nan 0.000 0.453 416 W N -0.099 121.230 121.300 0.049 0.000 3.180 416 W HA 0.315 4.975 4.660 0.000 0.000 0.254 416 W C 1.372 177.874 176.519 -0.029 0.000 1.318 416 W CA 0.881 58.240 57.345 0.023 0.000 1.608 416 W CB 0.146 29.634 29.460 0.047 0.000 1.124 416 W HN 0.360 nan 8.180 nan 0.000 0.694 417 G N 0.172 109.070 108.800 0.163 0.000 2.143 417 G HA2 -0.331 3.630 3.960 0.001 0.000 0.248 417 G HA3 -0.331 3.630 3.960 0.001 0.000 0.248 417 G C 0.809 175.743 174.900 0.056 0.000 0.991 417 G CA 0.488 45.637 45.100 0.081 0.000 0.689 417 G HN 0.348 nan 8.290 nan 0.000 0.522 418 L N -1.466 119.773 121.223 0.027 0.000 2.375 418 L HA 0.196 4.537 4.340 0.001 0.000 0.215 418 L C 2.286 179.127 176.870 -0.049 0.000 1.108 418 L CA 0.662 55.448 54.840 -0.091 0.000 0.830 418 L CB -0.306 41.544 42.059 -0.349 0.000 0.959 418 L HN 0.331 nan 8.230 nan 0.000 0.457 419 Y N 1.550 121.799 120.300 -0.085 0.000 2.114 419 Y HA -0.336 4.214 4.550 0.001 0.000 0.282 419 Y C 2.436 178.384 175.900 0.079 0.000 1.165 419 Y CA 1.933 60.022 58.100 -0.018 0.000 1.148 419 Y CB 0.210 38.622 38.460 -0.080 0.000 0.972 419 Y HN 0.088 nan 8.280 nan 0.000 0.504 420 E N 0.210 120.545 120.200 0.225 0.000 2.418 420 E HA -0.074 4.276 4.350 0.001 0.000 0.197 420 E C 1.232 177.871 176.600 0.066 0.000 1.026 420 E CA 0.801 57.298 56.400 0.162 0.000 0.862 420 E CB -0.054 29.719 29.700 0.121 0.000 0.799 420 E HN 0.429 nan 8.360 nan 0.000 0.518 421 K N -0.151 120.256 120.400 0.012 0.000 2.437 421 K HA 0.106 4.427 4.320 0.001 0.000 0.198 421 K C -0.128 176.423 176.600 -0.083 0.000 1.024 421 K CA 0.031 56.295 56.287 -0.038 0.000 1.148 421 K CB 0.613 33.085 32.500 -0.048 0.000 0.860 421 K HN -0.012 nan 8.250 nan 0.000 0.515 422 V N -4.580 115.268 119.914 -0.110 0.000 2.962 422 V HA 0.600 4.720 4.120 0.001 0.000 0.313 422 V C 0.535 176.461 176.094 -0.280 0.000 1.099 422 V CA -0.917 61.266 62.300 -0.195 0.000 0.971 422 V CB 1.751 33.428 31.823 -0.243 0.000 1.028 422 V HN -0.091 nan 8.190 nan 0.000 0.430 423 A N 1.320 123.982 122.820 -0.264 0.000 2.072 423 A HA 0.368 4.689 4.320 0.001 0.000 0.216 423 A C 0.907 178.227 177.584 -0.439 0.000 1.156 423 A CA 1.517 53.414 52.037 -0.234 0.000 0.701 423 A CB -0.179 18.743 19.000 -0.130 0.000 0.816 423 A HN 1.288 nan 8.150 nan 0.000 0.458 424 Q N -2.286 117.158 119.800 -0.594 0.000 2.479 424 Q HA 0.616 4.956 4.340 0.001 0.000 0.276 424 Q C -1.734 174.021 176.000 -0.409 0.000 0.989 424 Q CA 0.312 55.779 55.803 -0.560 0.000 0.864 424 Q CB 1.513 30.154 28.738 -0.161 0.000 1.444 424 Q HN 0.660 nan 8.270 nan 0.000 0.388 425 A N 2.999 125.671 122.820 -0.248 0.000 2.402 425 A HA 0.806 5.126 4.320 0.001 0.000 0.291 425 A C -1.791 175.929 177.584 0.228 0.000 1.051 425 A CA -0.364 51.684 52.037 0.017 0.000 0.716 425 A CB 0.539 19.416 19.000 -0.204 0.000 1.223 425 A HN 1.025 nan 8.150 nan 0.000 0.425 426 L N -0.705 120.740 121.223 0.368 0.000 2.479 426 L HA 1.076 5.417 4.340 0.001 0.000 0.255 426 L C -0.411 176.591 176.870 0.220 0.000 1.026 426 L CA -0.757 54.262 54.840 0.299 0.000 0.842 426 L CB 1.675 43.834 42.059 0.167 0.000 1.444 426 L HN 1.200 nan 8.230 nan 0.000 0.409 427 A N 0.847 123.724 122.820 0.096 0.000 2.386 427 A HA 0.910 5.231 4.320 0.001 0.000 0.311 427 A C -1.174 176.295 177.584 -0.192 0.000 1.068 427 A CA -0.718 51.258 52.037 -0.101 0.000 0.743 427 A CB 1.905 20.866 19.000 -0.065 0.000 1.258 427 A HN 0.693 nan 8.150 nan 0.000 0.429 428 V N 2.488 122.179 119.914 -0.371 0.000 2.540 428 V HA 0.433 4.553 4.120 0.001 0.000 0.302 428 V C -0.777 175.128 176.094 -0.314 0.000 1.035 428 V CA -0.512 61.534 62.300 -0.423 0.000 0.873 428 V CB 1.512 32.808 31.823 -0.879 0.000 0.992 428 V HN 0.819 nan 8.190 nan 0.000 0.428 429 L N 4.625 125.737 121.223 -0.185 0.000 2.264 429 L HA 0.639 4.979 4.340 0.001 0.000 0.289 429 L C 0.178 177.047 176.870 -0.002 0.000 1.044 429 L CA 0.747 55.521 54.840 -0.110 0.000 0.807 429 L CB 1.555 43.521 42.059 -0.155 0.000 1.192 429 L HN 0.728 nan 8.230 nan 0.000 0.425 430 T N 6.991 121.590 114.554 0.075 0.000 2.772 430 T HA 0.454 4.805 4.350 0.001 0.000 0.288 430 T C -2.596 172.240 174.700 0.228 0.000 0.994 430 T CA -1.072 61.107 62.100 0.133 0.000 0.951 430 T CB 1.449 70.373 68.868 0.093 0.000 0.933 430 T HN 0.377 nan 8.240 nan 0.000 0.447 431 P HA 0.291 nan 4.420 nan 0.000 0.276 431 P C -0.548 176.682 177.300 -0.116 0.000 1.243 431 P CA -0.253 62.819 63.100 -0.045 0.000 0.768 431 P CB 0.847 32.546 31.700 -0.001 0.000 0.856 446 Y N -1.500 118.790 120.300 -0.017 0.000 2.558 446 Y HA 0.589 5.140 4.550 0.001 0.000 0.333 446 Y C -0.490 175.392 175.900 -0.031 0.000 1.125 446 Y CA -0.767 57.319 58.100 -0.023 0.000 1.039 446 Y CB 2.416 40.859 38.460 -0.027 0.000 1.331 446 Y HN 0.380 nan 8.280 nan 0.000 0.456 447 V N 3.660 123.656 119.914 0.137 0.000 2.459 447 V HA 0.471 4.592 4.120 0.001 0.000 0.295 447 V C -0.987 175.113 176.094 0.011 0.000 1.029 447 V CA -0.703 61.627 62.300 0.051 0.000 0.874 447 V CB 1.775 33.618 31.823 0.034 0.000 0.985 447 V HN 0.556 nan 8.190 nan 0.000 0.438 448 L N 4.880 126.075 121.223 -0.045 0.000 2.296 448 L HA 0.858 5.198 4.340 0.001 0.000 0.286 448 L C 0.234 176.996 176.870 -0.180 0.000 1.023 448 L CA -0.032 54.733 54.840 -0.125 0.000 0.812 448 L CB 1.355 43.336 42.059 -0.130 0.000 1.223 448 L HN 0.737 nan 8.230 nan 0.000 0.421 449 A N 6.444 129.085 122.820 -0.298 0.000 2.260 449 A HA 0.631 4.951 4.320 0.001 0.000 0.314 449 A C -0.747 176.629 177.584 -0.347 0.000 1.257 449 A CA -0.562 51.278 52.037 -0.327 0.000 0.871 449 A CB 0.209 18.861 19.000 -0.579 0.000 1.166 449 A HN 0.729 nan 8.150 nan 0.000 0.522 450 L N 2.869 123.953 121.223 -0.232 0.000 2.305 450 L HA 0.523 4.864 4.340 0.001 0.000 0.281 450 L C 0.608 177.464 176.870 -0.024 0.000 1.085 450 L CA -0.455 54.219 54.840 -0.278 0.000 0.813 450 L CB 0.723 42.560 42.059 -0.370 0.000 1.157 450 L HN 0.630 nan 8.230 nan 0.000 0.436 451 R N 3.082 123.626 120.500 0.072 0.000 2.500 451 R HA 0.707 5.047 4.340 0.001 0.000 0.299 451 R C -1.591 174.867 176.300 0.263 0.000 1.038 451 R CA -0.360 55.808 56.100 0.113 0.000 0.903 451 R CB 1.766 32.115 30.300 0.082 0.000 1.177 451 R HN 0.741 nan 8.270 nan 0.000 0.455 452 A N 3.331 126.327 122.820 0.292 0.000 2.435 452 A HA 0.770 5.090 4.320 0.001 0.000 0.304 452 A C -0.771 176.912 177.584 0.165 0.000 1.064 452 A CA -0.582 51.604 52.037 0.248 0.000 0.727 452 A CB 1.697 20.908 19.000 0.351 0.000 1.284 452 A HN 0.467 nan 8.150 nan 0.000 0.415 453 V N -1.081 118.860 119.914 0.045 0.000 3.130 453 V HA 0.988 5.108 4.120 0.001 0.000 0.310 453 V C -0.284 175.770 176.094 -0.067 0.000 1.158 453 V CA -0.066 62.246 62.300 0.019 0.000 1.029 453 V CB 1.458 33.293 31.823 0.020 0.000 1.057 453 V HN 1.530 nan 8.190 nan 0.000 0.436 454 T N -1.376 113.126 114.554 -0.088 0.000 2.887 454 T HA 0.858 5.208 4.350 0.001 0.000 0.292 454 T C -0.391 174.216 174.700 -0.155 0.000 1.087 454 T CA -0.283 61.736 62.100 -0.136 0.000 1.009 454 T CB 1.862 70.641 68.868 -0.149 0.000 1.203 454 T HN 1.559 nan 8.240 nan 0.000 0.518 455 T N -0.578 113.847 114.554 -0.214 0.000 2.885 455 T HA 0.526 4.876 4.350 0.001 0.000 0.322 455 T C -0.855 173.597 174.700 -0.413 0.000 1.387 455 T CA -0.474 61.460 62.100 -0.276 0.000 1.041 455 T CB 2.053 70.757 68.868 -0.273 0.000 1.287 455 T HN 0.706 nan 8.240 nan 0.000 0.491 456 E N 0.663 120.609 120.200 -0.423 0.000 2.536 456 E HA 0.176 4.527 4.350 0.001 0.000 0.220 456 E C 0.266 176.572 176.600 -0.490 0.000 0.876 456 E CA 0.109 56.227 56.400 -0.470 0.000 1.190 456 E CB 0.669 30.155 29.700 -0.356 0.000 1.191 456 E HN 0.688 nan 8.360 nan 0.000 0.557 457 D N -0.972 119.208 120.400 -0.367 0.000 2.513 457 D HA 0.031 4.672 4.640 0.001 0.000 0.222 457 D C -0.091 176.263 176.300 0.089 0.000 1.210 457 D CA -0.673 53.265 54.000 -0.103 0.000 0.825 457 D CB -0.481 40.319 40.800 -0.000 0.000 1.037 457 D HN 0.027 nan 8.370 nan 0.000 0.506 458 F N -0.445 119.499 119.950 -0.011 0.000 3.048 458 F HA -0.322 4.205 4.527 0.001 0.000 0.287 458 F C 1.367 177.183 175.800 0.028 0.000 0.796 458 F CA 1.221 59.225 58.000 0.008 0.000 1.111 458 F CB -2.057 36.950 39.000 0.011 0.000 1.320 458 F HN 0.145 nan 8.300 nan 0.000 0.430 459 M N -2.678 116.999 119.600 0.127 0.000 2.363 459 M HA 0.117 4.598 4.480 0.001 0.000 0.243 459 M C 0.815 177.146 176.300 0.052 0.000 1.364 459 M CA 0.742 56.101 55.300 0.098 0.000 1.104 459 M CB 0.729 33.388 32.600 0.098 0.000 1.570 459 M HN -0.056 nan 8.290 nan 0.000 0.564 460 T N 1.149 115.719 114.554 0.028 0.000 2.944 460 T HA 0.742 5.093 4.350 0.001 0.000 0.284 460 T C -0.785 173.902 174.700 -0.020 0.000 1.010 460 T CA -0.572 61.534 62.100 0.011 0.000 1.025 460 T CB 1.825 70.701 68.868 0.012 0.000 1.079 460 T HN 0.267 nan 8.240 nan 0.000 0.516 461 A N 1.852 124.666 122.820 -0.011 0.000 2.459 461 A HA 0.629 4.949 4.320 0.001 0.000 0.296 461 A C -1.547 176.037 177.584 -0.001 0.000 1.039 461 A CA -0.859 51.164 52.037 -0.024 0.000 0.698 461 A CB 1.138 20.137 19.000 -0.003 0.000 1.261 461 A HN 0.676 nan 8.150 nan 0.000 0.405 462 D N 2.710 123.089 120.400 -0.035 0.000 2.163 462 D HA 0.410 5.050 4.640 0.001 0.000 0.248 462 D C 0.290 176.593 176.300 0.005 0.000 1.035 462 D CA -0.022 53.956 54.000 -0.036 0.000 0.872 462 D CB 0.956 41.661 40.800 -0.159 0.000 1.183 462 D HN 0.649 nan 8.370 nan 0.000 0.445 463 W N 0.804 122.093 121.300 -0.018 0.000 2.223 463 W HA 0.446 5.106 4.660 0.001 0.000 0.334 463 W C -0.375 176.174 176.519 0.051 0.000 1.334 463 W CA -1.188 56.147 57.345 -0.017 0.000 1.246 463 W CB -0.331 29.087 29.460 -0.070 0.000 1.184 463 W HN 0.240 nan 8.180 nan 0.000 0.563 464 A N 5.814 128.756 122.820 0.205 0.000 2.488 464 A HA 0.189 4.510 4.320 0.001 0.000 0.249 464 A C 0.679 178.304 177.584 0.068 0.000 1.083 464 A CA -0.496 51.585 52.037 0.073 0.000 0.768 464 A CB 0.158 19.244 19.000 0.144 0.000 1.017 464 A HN 0.569 nan 8.150 nan 0.000 0.496 465 R N 3.358 123.732 120.500 -0.209 0.000 4.138 465 R HA 0.188 4.529 4.340 0.001 0.000 0.206 465 R C -0.453 175.829 176.300 -0.029 0.000 1.667 465 R CA 0.092 56.069 56.100 -0.206 0.000 1.481 465 R CB -0.915 29.203 30.300 -0.302 0.000 1.388 465 R HN 0.677 nan 8.270 nan 0.000 0.776 466 L N 2.123 123.382 121.223 0.060 0.000 2.464 466 L HA 0.235 4.576 4.340 0.001 0.000 0.264 466 L C -1.598 175.304 176.870 0.054 0.000 1.199 466 L CA -1.791 53.058 54.840 0.015 0.000 0.818 466 L CB 0.040 42.099 42.059 0.000 0.000 1.102 466 L HN 0.042 nan 8.230 nan 0.000 0.473 467 P HA 0.049 nan 4.420 nan 0.000 0.267 467 P C 0.639 178.019 177.300 0.134 0.000 1.205 467 P CA -0.061 63.120 63.100 0.134 0.000 0.765 467 P CB 0.549 32.383 31.700 0.223 0.000 0.828 468 L N 1.626 122.909 121.223 0.101 0.000 2.131 468 L HA -0.168 4.172 4.340 0.001 0.000 0.210 468 L C 2.230 179.125 176.870 0.042 0.000 1.092 468 L CA 1.357 56.233 54.840 0.061 0.000 0.759 468 L CB -0.499 41.599 42.059 0.064 0.000 0.903 468 L HN 0.510 nan 8.230 nan 0.000 0.435 469 E N 0.396 120.655 120.200 0.100 0.000 2.110 469 E HA -0.258 4.092 4.350 0.001 0.000 0.193 469 E C 2.064 178.652 176.600 -0.021 0.000 0.988 469 E CA 1.346 57.810 56.400 0.106 0.000 0.804 469 E CB -0.125 29.722 29.700 0.245 0.000 0.745 469 E HN 0.436 nan 8.360 nan 0.000 0.458 470 F N 1.028 120.851 119.950 -0.212 0.000 2.146 470 F HA -0.111 4.416 4.527 0.001 0.000 0.298 470 F C 2.143 177.726 175.800 -0.363 0.000 1.096 470 F CA 1.059 58.705 58.000 -0.591 0.000 1.275 470 F CB -0.306 38.356 39.000 -0.564 0.000 1.008 470 F HN -0.050 nan 8.300 nan 0.000 0.480 471 L N 0.173 121.212 121.223 -0.308 0.000 2.083 471 L HA -0.218 4.122 4.340 0.001 0.000 0.209 471 L C 2.170 178.828 176.870 -0.355 0.000 1.083 471 L CA 1.820 56.441 54.840 -0.365 0.000 0.752 471 L CB -0.897 41.025 42.059 -0.229 0.000 0.899 471 L HN 0.196 nan 8.230 nan 0.000 0.433 472 D N 0.090 120.342 120.400 -0.246 0.000 2.117 472 D HA -0.261 4.380 4.640 0.001 0.000 0.197 472 D C 2.118 178.283 176.300 -0.225 0.000 0.987 472 D CA 1.352 55.246 54.000 -0.176 0.000 0.829 472 D CB 0.143 40.890 40.800 -0.088 0.000 0.961 472 D HN 0.296 nan 8.370 nan 0.000 0.460 473 E N -0.571 119.438 120.200 -0.319 0.000 2.072 473 E HA -0.163 4.188 4.350 0.001 0.000 0.191 473 E C 1.990 178.370 176.600 -0.368 0.000 0.985 473 E CA 0.934 57.153 56.400 -0.302 0.000 0.801 473 E CB -0.180 29.320 29.700 -0.334 0.000 0.750 473 E HN 0.317 nan 8.360 nan 0.000 0.452 474 A N 1.406 123.870 122.820 -0.593 0.000 1.865 474 A HA -0.158 4.162 4.320 0.001 0.000 0.217 474 A C 2.455 179.878 177.584 -0.269 0.000 1.191 474 A CA 2.068 53.830 52.037 -0.457 0.000 0.623 474 A CB -1.041 17.617 19.000 -0.571 0.000 0.826 474 A HN 0.429 nan 8.150 nan 0.000 0.444 475 A N -0.277 122.389 122.820 -0.256 0.000 1.883 475 A HA -0.201 4.119 4.320 0.001 0.000 0.217 475 A C 2.264 179.776 177.584 -0.121 0.000 1.186 475 A CA 1.740 53.676 52.037 -0.169 0.000 0.624 475 A CB -0.507 18.408 19.000 -0.142 0.000 0.822 475 A HN 0.574 nan 8.150 nan 0.000 0.444 476 R N -1.190 119.240 120.500 -0.118 0.000 2.073 476 R HA -0.094 4.246 4.340 0.001 0.000 0.234 476 R C 2.555 178.815 176.300 -0.067 0.000 1.134 476 R CA 1.530 57.583 56.100 -0.077 0.000 0.952 476 R CB -0.318 29.942 30.300 -0.065 0.000 0.850 476 R HN 0.569 nan 8.270 nan 0.000 0.433 477 R N 0.975 121.426 120.500 -0.083 0.000 2.081 477 R HA -0.099 4.241 4.340 0.001 0.000 0.235 477 R C 2.161 178.433 176.300 -0.046 0.000 1.131 477 R CA 1.392 57.459 56.100 -0.056 0.000 0.960 477 R CB -0.191 30.074 30.300 -0.059 0.000 0.856 477 R HN 0.177 nan 8.270 nan 0.000 0.436 478 I N 0.293 120.824 120.570 -0.064 0.000 2.163 478 I HA -0.274 3.897 4.170 0.001 0.000 0.240 478 I C 2.448 178.540 176.117 -0.042 0.000 1.081 478 I CA 1.889 63.157 61.300 -0.053 0.000 1.353 478 I CB -0.476 37.476 38.000 -0.079 0.000 1.054 478 I HN 0.413 nan 8.210 nan 0.000 0.407 479 T N -1.072 113.455 114.554 -0.045 0.000 2.833 479 T HA -0.229 4.121 4.350 0.001 0.000 0.269 479 T C 1.971 176.660 174.700 -0.019 0.000 1.054 479 T CA 1.142 63.225 62.100 -0.028 0.000 1.135 479 T CB -0.380 68.471 68.868 -0.029 0.000 0.869 479 T HN 0.315 nan 8.240 nan 0.000 0.466 480 R N 0.902 121.389 120.500 -0.022 0.000 2.062 480 R HA 0.111 4.451 4.340 0.001 0.000 0.229 480 R C 2.749 179.044 176.300 -0.009 0.000 1.128 480 R CA 0.756 56.849 56.100 -0.013 0.000 0.960 480 R CB -0.037 30.255 30.300 -0.014 0.000 0.855 480 R HN 0.326 nan 8.270 nan 0.000 0.432 481 R N -0.355 120.138 120.500 -0.011 0.000 2.161 481 R HA 0.091 4.431 4.340 0.001 0.000 0.213 481 R C 0.091 176.387 176.300 -0.007 0.000 1.055 481 R CA 0.538 56.634 56.100 -0.006 0.000 0.996 481 R CB 0.632 30.930 30.300 -0.005 0.000 0.901 481 R HN 0.047 nan 8.270 nan 0.000 0.456 482 V N 3.617 123.524 119.914 -0.011 0.000 2.225 482 V HA 0.124 4.244 4.120 0.001 0.000 0.264 482 V C -1.559 174.534 176.094 -0.002 0.000 1.067 482 V CA -1.234 61.059 62.300 -0.012 0.000 0.903 482 V CB 1.277 33.085 31.823 -0.026 0.000 1.136 482 V HN 0.054 nan 8.190 nan 0.000 0.456 483 P HA -0.233 nan 4.420 nan 0.000 0.218 483 P C 1.088 178.410 177.300 0.037 0.000 1.152 483 P CA 1.505 64.615 63.100 0.017 0.000 0.857 483 P CB 0.602 32.311 31.700 0.016 0.000 0.787 484 E N -0.357 119.874 120.200 0.051 0.000 2.265 484 E HA -0.034 4.317 4.350 0.001 0.000 0.196 484 E C 0.943 177.642 176.600 0.165 0.000 0.996 484 E CA 0.506 56.978 56.400 0.120 0.000 0.832 484 E CB -0.596 29.180 29.700 0.127 0.000 0.756 484 E HN 0.415 nan 8.360 nan 0.000 0.491 485 I N 0.342 120.962 120.570 0.083 0.000 2.304 485 I HA 0.180 4.351 4.170 0.001 0.000 0.291 485 I C 1.275 177.417 176.117 0.042 0.000 1.018 485 I CA -0.316 61.030 61.300 0.076 0.000 1.260 485 I CB 1.732 39.739 38.000 0.012 0.000 1.390 485 I HN 0.021 nan 8.210 nan 0.000 0.475 486 G N 6.087 114.914 108.800 0.044 0.000 2.887 486 G HA2 0.126 4.087 3.960 0.001 0.000 0.211 486 G HA3 0.126 4.087 3.960 0.001 0.000 0.211 486 G C 0.609 175.511 174.900 0.003 0.000 1.152 486 G CA -0.008 45.102 45.100 0.017 0.000 0.769 486 G HN 0.520 nan 8.290 nan 0.000 0.541 487 R N -0.613 119.889 120.500 0.002 0.000 2.566 487 R HA 0.517 4.858 4.340 0.001 0.000 0.271 487 R C -2.068 174.217 176.300 -0.024 0.000 1.071 487 R CA -0.394 55.699 56.100 -0.011 0.000 0.915 487 R CB 2.390 32.687 30.300 -0.004 0.000 1.228 487 R HN -0.066 nan 8.270 nan 0.000 0.449 488 V N 4.854 124.743 119.914 -0.041 0.000 2.540 488 V HA 0.529 4.650 4.120 0.001 0.000 0.302 488 V C -0.164 175.904 176.094 -0.044 0.000 1.035 488 V CA -0.636 61.624 62.300 -0.066 0.000 0.873 488 V CB 1.726 33.488 31.823 -0.101 0.000 0.992 488 V HN 0.591 nan 8.190 nan 0.000 0.428 489 V N 2.314 122.207 119.914 -0.035 0.000 3.046 489 V HA 0.722 4.843 4.120 0.001 0.000 0.316 489 V C -1.455 174.679 176.094 0.067 0.000 1.104 489 V CA -0.957 61.353 62.300 0.016 0.000 1.006 489 V CB 2.159 34.000 31.823 0.030 0.000 1.058 489 V HN 0.699 nan 8.190 nan 0.000 0.440 490 Y N 1.077 121.344 120.300 -0.056 0.000 2.364 490 Y HA 0.574 5.124 4.550 0.001 0.000 0.340 490 Y C -0.212 175.672 175.900 -0.027 0.000 0.975 490 Y CA -1.173 56.903 58.100 -0.039 0.000 1.089 490 Y CB 1.493 39.946 38.460 -0.011 0.000 1.192 490 Y HN 0.957 nan 8.280 nan 0.000 0.454 491 D N 5.400 125.525 120.400 -0.459 0.000 2.371 491 D HA 0.102 4.743 4.640 0.001 0.000 0.256 491 D C 0.248 176.164 176.300 -0.640 0.000 1.193 491 D CA 0.515 54.317 54.000 -0.329 0.000 0.881 491 D CB 0.820 41.611 40.800 -0.016 0.000 1.143 491 D HN 0.798 nan 8.370 nan 0.000 0.473 492 L N 2.806 123.666 121.223 -0.605 0.000 2.667 492 L HA 0.122 4.462 4.340 0.001 0.000 0.232 492 L C 0.549 176.972 176.870 -0.746 0.000 1.138 492 L CA 0.042 54.229 54.840 -1.088 0.000 0.921 492 L CB 0.256 41.757 42.059 -0.930 0.000 1.180 492 L HN 0.238 nan 8.230 nan 0.000 0.487 493 T N -0.563 113.791 114.554 -0.334 0.000 2.771 493 T HA 0.374 4.724 4.350 0.001 0.000 0.291 493 T C 0.441 175.156 174.700 0.025 0.000 0.954 493 T CA -0.259 61.757 62.100 -0.142 0.000 1.045 493 T CB 1.831 70.599 68.868 -0.168 0.000 0.917 493 T HN -0.023 nan 8.240 nan 0.000 0.484 494 S N 2.060 117.832 115.700 0.120 0.000 2.713 494 S HA 0.523 4.993 4.470 0.001 0.000 0.277 494 S C -0.004 174.634 174.600 0.063 0.000 1.168 494 S CA -0.999 57.292 58.200 0.152 0.000 0.994 494 S CB 0.882 64.203 63.200 0.201 0.000 1.054 494 S HN 0.696 nan 8.310 nan 0.000 0.555 495 K N 2.290 122.722 120.400 0.054 0.000 2.483 495 K HA 0.380 4.700 4.320 0.001 0.000 0.256 495 K C -2.793 173.826 176.600 0.031 0.000 0.961 495 K CA -2.127 54.178 56.287 0.030 0.000 0.873 495 K CB 1.212 33.728 32.500 0.027 0.000 1.107 495 K HN 0.290 nan 8.250 nan 0.000 0.432 496 P HA 0.143 nan 4.420 nan 0.000 0.274 496 P C -2.239 175.073 177.300 0.021 0.000 1.256 496 P CA -1.002 62.110 63.100 0.019 0.000 0.795 496 P CB 0.738 32.450 31.700 0.019 0.000 1.038 497 P HA 0.070 nan 4.420 nan 0.000 0.234 497 P C 0.605 177.886 177.300 -0.033 0.000 1.175 497 P CA 0.662 63.752 63.100 -0.016 0.000 0.801 497 P CB 0.179 31.864 31.700 -0.026 0.000 0.891 498 A N 0.734 123.526 122.820 -0.046 0.000 2.259 498 A HA 0.515 4.835 4.320 0.001 0.000 0.278 498 A C 0.563 178.126 177.584 -0.035 0.000 1.107 498 A CA 0.029 52.023 52.037 -0.072 0.000 0.828 498 A CB -0.311 18.612 19.000 -0.129 0.000 1.111 498 A HN 0.240 nan 8.150 nan 0.000 0.498 499 T N -1.568 112.963 114.554 -0.038 0.000 2.902 499 T HA 0.528 4.879 4.350 0.001 0.000 0.280 499 T C 1.182 175.903 174.700 0.036 0.000 0.992 499 T CA -0.427 61.675 62.100 0.003 0.000 1.015 499 T CB 0.610 69.483 68.868 0.007 0.000 1.044 499 T HN 0.354 nan 8.240 nan 0.000 0.520 500 I N -0.148 120.457 120.570 0.059 0.000 2.163 500 I HA -0.039 4.131 4.170 0.001 0.000 0.240 500 I C 1.446 177.658 176.117 0.158 0.000 1.081 500 I CA 1.101 62.455 61.300 0.091 0.000 1.353 500 I CB -0.176 37.864 38.000 0.066 0.000 1.054 500 I HN 0.640 nan 8.210 nan 0.000 0.407 501 E N -0.156 120.126 120.200 0.137 0.000 2.374 501 E HA -0.074 4.276 4.350 0.001 0.000 0.260 501 E C 0.157 176.932 176.600 0.292 0.000 1.101 501 E CA -0.216 56.293 56.400 0.183 0.000 0.907 501 E CB 0.676 30.430 29.700 0.090 0.000 1.014 501 E HN 0.223 nan 8.360 nan 0.000 0.427 502 W N 0.869 122.160 121.300 -0.016 0.000 2.770 502 W HA 0.070 4.731 4.660 0.001 0.000 0.256 502 W C 0.805 177.313 176.519 -0.018 0.000 1.291 502 W CA 0.159 57.492 57.345 -0.019 0.000 1.396 502 W CB 0.452 29.901 29.460 -0.018 0.000 1.114 502 W HN 0.472 nan 8.180 nan 0.000 0.637 503 E N 0.000 120.315 120.200 0.192 0.000 2.725 503 E HA 0.000 4.350 4.350 0.001 0.000 0.291 503 E CA 0.000 56.459 56.400 0.099 0.000 0.976 503 E CB 0.000 29.752 29.700 0.087 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440