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_D DATA FIRST_RESID 1 DATA SEQUENCE MVLVLDFGSQ YTRLIARRLR ELRAFSLILP GDAPLEEVLK HRPQALILSG DATA SEQUENCE GPRSVFDPDA PRPDPRLFSS GLPLLGICYG MQLLAQELGG RVERXXXXXY 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 VIXXXXXXXX XXXXXXXXXX XXXXXLEFEL 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 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.370 55.300 0.117 0.000 0.988 1 M CB 0.000 32.709 32.600 0.183 0.000 1.302 2 V N 5.531 125.430 119.914 -0.025 0.000 2.555 2 V HA 0.612 4.737 4.120 0.008 0.000 0.302 2 V C -0.208 175.835 176.094 -0.086 0.000 1.038 2 V CA -0.728 61.557 62.300 -0.025 0.000 0.887 2 V CB 2.149 33.970 31.823 -0.003 0.000 0.991 2 V HN 0.838 nan 8.190 nan 0.000 0.434 3 L N 4.135 125.336 121.223 -0.036 0.000 2.325 3 L HA 0.590 4.935 4.340 0.008 0.000 0.279 3 L C -0.625 176.228 176.870 -0.029 0.000 1.054 3 L CA -0.699 54.095 54.840 -0.078 0.000 0.804 3 L CB 1.959 43.986 42.059 -0.054 0.000 1.200 3 L HN 0.383 nan 8.230 nan 0.000 0.436 4 V N 5.024 124.904 119.914 -0.057 0.000 2.334 4 V HA 0.286 4.411 4.120 0.008 0.000 0.281 4 V C 0.117 176.190 176.094 -0.036 0.000 1.016 4 V CA -0.475 61.817 62.300 -0.014 0.000 0.832 4 V CB 1.381 33.197 31.823 -0.013 0.000 0.999 4 V HN 0.500 nan 8.190 nan 0.000 0.439 5 L N 4.280 125.500 121.223 -0.006 0.000 2.325 5 L HA 0.338 4.683 4.340 0.008 0.000 0.284 5 L C 0.220 176.939 176.870 -0.252 0.000 1.089 5 L CA -0.145 54.614 54.840 -0.134 0.000 0.836 5 L CB 0.611 42.660 42.059 -0.017 0.000 1.184 5 L HN 0.586 nan 8.230 nan 0.000 0.444 6 D N 2.923 123.121 120.400 -0.337 0.000 2.317 6 D HA 0.131 4.776 4.640 0.008 0.000 0.252 6 D C -0.120 175.901 176.300 -0.465 0.000 1.174 6 D CA 0.088 53.930 54.000 -0.262 0.000 0.866 6 D CB 0.648 41.351 40.800 -0.163 0.000 1.127 6 D HN 0.213 nan 8.370 nan 0.000 0.467 7 F N 1.692 121.648 119.950 0.010 0.000 2.735 7 F HA 0.350 4.879 4.527 0.003 0.000 0.304 7 F C 1.757 177.451 175.800 -0.177 0.000 1.119 7 F CA -0.022 57.941 58.000 -0.061 0.000 1.280 7 F CB 0.914 39.919 39.000 0.008 0.000 0.994 7 F HN 0.635 nan 8.300 nan 0.000 0.520 8 G N -0.381 108.417 108.800 -0.003 0.000 2.218 8 G HA2 -0.258 3.707 3.960 0.008 0.000 0.216 8 G HA3 -0.258 3.707 3.960 0.008 0.000 0.216 8 G C 0.487 175.374 174.900 -0.021 0.000 0.994 8 G CA 0.017 45.091 45.100 -0.043 0.000 0.637 8 G HN 0.360 nan 8.290 nan 0.000 0.505 9 S N 0.840 116.564 115.700 0.040 0.000 2.558 9 S HA 0.269 4.744 4.470 0.008 0.000 0.288 9 S C 1.897 176.482 174.600 -0.024 0.000 1.318 9 S CA 1.000 59.239 58.200 0.065 0.000 1.056 9 S CB 0.762 64.090 63.200 0.214 0.000 0.853 9 S HN 0.731 nan 8.310 nan 0.000 0.505 10 Q N 3.240 122.941 119.800 -0.166 0.000 2.364 10 Q HA -0.100 4.245 4.340 0.008 0.000 0.207 10 Q C 0.236 176.095 176.000 -0.236 0.000 0.970 10 Q CA 1.450 57.097 55.803 -0.260 0.000 0.888 10 Q CB -0.314 28.176 28.738 -0.413 0.000 0.951 10 Q HN 0.906 nan 8.270 nan 0.000 0.469 11 Y N 0.734 121.074 120.300 0.066 0.000 2.468 11 Y HA 0.235 4.789 4.550 0.008 0.000 0.268 11 Y C 1.912 177.857 175.900 0.074 0.000 1.177 11 Y CA -0.001 58.134 58.100 0.059 0.000 1.265 11 Y CB 0.185 38.666 38.460 0.036 0.000 1.103 11 Y HN 0.066 nan 8.280 nan 0.000 0.522 12 T N -0.082 114.575 114.554 0.172 0.000 2.684 12 T HA -0.224 4.131 4.350 0.008 0.000 0.267 12 T C 2.158 176.914 174.700 0.094 0.000 1.036 12 T CA 1.597 63.769 62.100 0.119 0.000 1.148 12 T CB -0.061 68.839 68.868 0.054 0.000 0.863 12 T HN 0.328 nan 8.240 nan 0.000 0.436 13 R N 0.436 120.983 120.500 0.079 0.000 2.081 13 R HA -0.078 4.267 4.340 0.008 0.000 0.235 13 R C 2.401 178.769 176.300 0.113 0.000 1.131 13 R CA 1.201 57.360 56.100 0.099 0.000 0.960 13 R CB -0.572 29.780 30.300 0.086 0.000 0.856 13 R HN 0.285 nan 8.270 nan 0.000 0.436 14 L N 1.488 122.773 121.223 0.104 0.000 2.042 14 L HA -0.154 4.191 4.340 0.008 0.000 0.210 14 L C 2.106 178.987 176.870 0.018 0.000 1.076 14 L CA 1.590 56.462 54.840 0.054 0.000 0.749 14 L CB -0.422 41.734 42.059 0.162 0.000 0.893 14 L HN 0.225 nan 8.230 nan 0.000 0.432 15 I N -0.717 119.897 120.570 0.073 0.000 2.127 15 I HA -0.347 3.828 4.170 0.008 0.000 0.241 15 I C 2.616 178.743 176.117 0.017 0.000 1.075 15 I CA 1.311 62.643 61.300 0.053 0.000 1.334 15 I CB -0.818 37.231 38.000 0.081 0.000 1.040 15 I HN 0.342 nan 8.210 nan 0.000 0.405 16 A N 1.068 123.915 122.820 0.045 0.000 1.892 16 A HA -0.307 4.018 4.320 0.008 0.000 0.218 16 A C 2.446 180.033 177.584 0.005 0.000 1.188 16 A CA 2.365 54.433 52.037 0.052 0.000 0.631 16 A CB -0.849 18.271 19.000 0.201 0.000 0.822 16 A HN 0.445 nan 8.150 nan 0.000 0.447 17 R N -1.125 119.309 120.500 -0.110 0.000 2.091 17 R HA -0.186 4.159 4.340 0.008 0.000 0.238 17 R C 2.224 178.381 176.300 -0.239 0.000 1.136 17 R CA 1.569 57.389 56.100 -0.466 0.000 0.959 17 R CB -0.229 29.505 30.300 -0.943 0.000 0.856 17 R HN 0.326 nan 8.270 nan 0.000 0.437 18 R N 0.829 121.249 120.500 -0.133 0.000 2.091 18 R HA -0.102 4.243 4.340 0.008 0.000 0.238 18 R C 2.339 178.616 176.300 -0.037 0.000 1.136 18 R CA 1.224 57.286 56.100 -0.064 0.000 0.959 18 R CB -1.022 29.263 30.300 -0.025 0.000 0.856 18 R HN 0.357 nan 8.270 nan 0.000 0.437 19 L N 0.663 121.861 121.223 -0.041 0.000 2.042 19 L HA -0.180 4.165 4.340 0.008 0.000 0.210 19 L C 2.591 179.442 176.870 -0.031 0.000 1.076 19 L CA 1.334 56.154 54.840 -0.035 0.000 0.749 19 L CB -0.389 41.629 42.059 -0.070 0.000 0.893 19 L HN 0.076 nan 8.230 nan 0.000 0.432 20 R N 0.514 120.980 120.500 -0.058 0.000 2.081 20 R HA -0.161 4.184 4.340 0.008 0.000 0.235 20 R C 1.939 178.343 176.300 0.172 0.000 1.131 20 R CA 1.299 57.429 56.100 0.050 0.000 0.960 20 R CB -0.735 29.622 30.300 0.096 0.000 0.856 20 R HN 0.527 nan 8.270 nan 0.000 0.436 21 E N 0.436 120.674 120.200 0.064 0.000 2.401 21 E HA -0.085 4.270 4.350 0.008 0.000 0.199 21 E C 0.511 177.148 176.600 0.060 0.000 1.023 21 E CA 0.380 56.814 56.400 0.056 0.000 0.859 21 E CB 0.095 29.799 29.700 0.007 0.000 0.780 21 E HN 0.018 nan 8.360 nan 0.000 0.523 22 L N 0.510 121.770 121.223 0.061 0.000 2.791 22 L HA 0.161 4.506 4.340 0.008 0.000 0.239 22 L C 0.086 177.006 176.870 0.083 0.000 1.203 22 L CA 0.147 55.018 54.840 0.052 0.000 1.002 22 L CB -0.445 41.633 42.059 0.031 0.000 1.295 22 L HN 0.022 nan 8.230 nan 0.000 0.504 23 R N -0.744 119.845 120.500 0.148 0.000 3.525 23 R HA -0.188 4.157 4.340 0.008 0.000 0.276 23 R C 0.213 176.646 176.300 0.222 0.000 1.116 23 R CA 0.868 57.091 56.100 0.205 0.000 0.745 23 R CB -2.563 27.802 30.300 0.108 0.000 1.185 23 R HN 0.334 nan 8.270 nan 0.000 0.454 24 A N 0.525 123.459 122.820 0.189 0.000 2.343 24 A HA 0.620 4.945 4.320 0.008 0.000 0.308 24 A C -0.377 177.192 177.584 -0.025 0.000 1.092 24 A CA -0.748 51.355 52.037 0.109 0.000 0.751 24 A CB 0.900 19.918 19.000 0.031 0.000 1.203 24 A HN 0.189 nan 8.150 nan 0.000 0.452 25 F N 3.372 123.213 119.950 -0.182 0.000 2.518 25 F HA 0.466 4.997 4.527 0.006 0.000 0.359 25 F C 0.757 176.325 175.800 -0.386 0.000 1.118 25 F CA 0.621 58.277 58.000 -0.574 0.000 1.287 25 F CB 0.903 39.655 39.000 -0.412 0.000 1.132 25 F HN 0.629 nan 8.300 nan 0.000 0.587 26 S N 6.389 121.239 115.700 -1.417 0.000 2.549 26 S HA 0.797 5.272 4.470 0.008 0.000 0.280 26 S C -1.582 172.343 174.600 -1.124 0.000 1.109 26 S CA -0.888 56.770 58.200 -0.903 0.000 0.905 26 S CB 2.032 64.963 63.200 -0.448 0.000 1.081 26 S HN 0.825 nan 8.310 nan 0.000 0.477 27 L N 1.842 122.704 121.223 -0.602 0.000 2.422 27 L HA 0.680 5.025 4.340 0.008 0.000 0.264 27 L C -1.549 175.225 176.870 -0.160 0.000 0.984 27 L CA -0.767 53.842 54.840 -0.385 0.000 0.819 27 L CB 1.779 43.614 42.059 -0.373 0.000 1.330 27 L HN 0.900 nan 8.230 nan 0.000 0.410 28 I N 5.038 125.608 120.570 0.001 0.000 2.385 28 I HA 0.469 4.644 4.170 0.008 0.000 0.294 28 I C -0.660 175.418 176.117 -0.065 0.000 0.988 28 I CA -0.490 60.786 61.300 -0.039 0.000 1.265 28 I CB 1.353 39.325 38.000 -0.048 0.000 1.388 28 I HN 0.433 nan 8.210 nan 0.000 0.480 29 L N 6.541 127.706 121.223 -0.096 0.000 2.393 29 L HA 0.515 4.860 4.340 0.008 0.000 0.260 29 L C -2.561 174.227 176.870 -0.137 0.000 1.002 29 L CA -2.031 52.755 54.840 -0.091 0.000 0.818 29 L CB 2.713 44.724 42.059 -0.081 0.000 1.369 29 L HN 0.252 nan 8.230 nan 0.000 0.412 30 P HA 0.010 nan 4.420 nan 0.000 0.265 30 P C 0.618 177.747 177.300 -0.285 0.000 1.193 30 P CA 0.131 63.126 63.100 -0.176 0.000 0.765 30 P CB 0.776 32.413 31.700 -0.104 0.000 0.823 31 G N 2.771 111.244 108.800 -0.545 0.000 2.462 31 G HA2 -0.207 3.758 3.960 0.008 0.000 0.220 31 G HA3 -0.207 3.758 3.960 0.008 0.000 0.220 31 G C 0.496 175.178 174.900 -0.363 0.000 1.121 31 G CA 0.550 45.027 45.100 -1.039 0.000 0.758 31 G HN 0.632 nan 8.290 nan 0.000 0.559 32 D N 0.467 120.770 120.400 -0.163 0.000 3.071 32 D HA 0.465 5.110 4.640 0.008 0.000 0.259 32 D C 0.402 176.682 176.300 -0.033 0.000 1.331 32 D CA -0.299 53.688 54.000 -0.021 0.000 0.861 32 D CB 0.303 41.115 40.800 0.020 0.000 1.059 32 D HN 0.164 nan 8.370 nan 0.000 0.486 33 A N 2.043 124.835 122.820 -0.047 0.000 2.301 33 A HA 0.520 4.845 4.320 0.008 0.000 0.298 33 A C -2.181 175.402 177.584 -0.001 0.000 1.185 33 A CA -1.356 50.669 52.037 -0.020 0.000 0.830 33 A CB 0.507 19.495 19.000 -0.019 0.000 1.112 33 A HN 0.173 nan 8.150 nan 0.000 0.508 34 P HA -0.086 nan 4.420 nan 0.000 0.265 34 P C 0.866 178.177 177.300 0.019 0.000 1.187 34 P CA -0.192 62.914 63.100 0.010 0.000 0.766 34 P CB 0.569 32.276 31.700 0.012 0.000 0.820 35 L N 2.826 124.057 121.223 0.014 0.000 2.263 35 L HA -0.228 4.117 4.340 0.008 0.000 0.216 35 L C 1.932 178.824 176.870 0.035 0.000 1.111 35 L CA 2.045 56.900 54.840 0.024 0.000 0.773 35 L CB -1.034 41.036 42.059 0.018 0.000 0.906 35 L HN 0.271 nan 8.230 nan 0.000 0.439 36 E N -0.098 120.119 120.200 0.028 0.000 2.006 36 E HA -0.230 4.125 4.350 0.008 0.000 0.192 36 E C 2.116 178.737 176.600 0.034 0.000 0.993 36 E CA 1.482 57.897 56.400 0.025 0.000 0.808 36 E CB -0.455 29.254 29.700 0.016 0.000 0.764 36 E HN 0.604 nan 8.360 nan 0.000 0.449 37 E N 0.400 120.624 120.200 0.042 0.000 2.273 37 E HA -0.194 4.161 4.350 0.008 0.000 0.198 37 E C 1.591 178.283 176.600 0.153 0.000 1.002 37 E CA 0.879 57.321 56.400 0.069 0.000 0.828 37 E CB 0.175 29.918 29.700 0.072 0.000 0.747 37 E HN 0.071 nan 8.360 nan 0.000 0.491 38 V N 0.508 120.498 119.914 0.127 0.000 2.300 38 V HA -0.164 3.961 4.120 0.008 0.000 0.241 38 V C 2.193 178.389 176.094 0.170 0.000 1.034 38 V CA 1.076 63.473 62.300 0.163 0.000 1.021 38 V CB -0.255 31.624 31.823 0.095 0.000 0.662 38 V HN 0.315 nan 8.190 nan 0.000 0.458 39 L N 1.057 122.341 121.223 0.102 0.000 2.549 39 L HA -0.118 4.227 4.340 0.008 0.000 0.229 39 L C 2.444 179.349 176.870 0.058 0.000 1.158 39 L CA 1.101 55.990 54.840 0.082 0.000 0.842 39 L CB -0.637 41.456 42.059 0.057 0.000 0.952 39 L HN 0.511 nan 8.230 nan 0.000 0.452 40 K N -0.912 119.503 120.400 0.025 0.000 2.217 40 K HA -0.154 4.171 4.320 0.008 0.000 0.202 40 K C 1.363 177.898 176.600 -0.109 0.000 1.051 40 K CA 1.246 57.489 56.287 -0.073 0.000 0.952 40 K CB -0.296 32.107 32.500 -0.161 0.000 0.736 40 K HN 0.311 nan 8.250 nan 0.000 0.453 41 H N 0.879 119.977 119.070 0.045 0.000 2.547 41 H HA 0.255 4.814 4.556 0.005 0.000 0.266 41 H C -0.360 175.003 175.328 0.057 0.000 0.988 41 H CA 0.091 56.173 56.048 0.057 0.000 1.147 41 H CB 0.125 29.927 29.762 0.065 0.000 1.365 41 H HN 0.139 nan 8.280 nan 0.000 0.589 42 R N 0.490 121.072 120.500 0.136 0.000 3.188 42 R HA -0.119 4.226 4.340 0.008 0.000 0.247 42 R C -2.554 173.811 176.300 0.108 0.000 0.918 42 R CA 0.153 56.312 56.100 0.099 0.000 0.629 42 R CB -1.612 28.732 30.300 0.072 0.000 1.087 42 R HN 0.409 nan 8.270 nan 0.000 0.462 43 P HA -0.054 nan 4.420 nan 0.000 0.271 43 P C -0.065 177.277 177.300 0.070 0.000 1.216 43 P CA 0.123 63.279 63.100 0.094 0.000 0.776 43 P CB 0.791 32.547 31.700 0.093 0.000 0.881 44 Q N 0.764 120.593 119.800 0.050 0.000 2.402 44 Q HA 0.324 4.669 4.340 0.008 0.000 0.206 44 Q C 0.560 176.565 176.000 0.009 0.000 0.919 44 Q CA 0.406 56.222 55.803 0.021 0.000 0.923 44 Q CB 0.427 29.164 28.738 -0.002 0.000 1.048 44 Q HN 0.629 nan 8.270 nan 0.000 0.515 45 A N 0.356 123.201 122.820 0.043 0.000 2.586 45 A HA 0.708 5.033 4.320 0.008 0.000 0.290 45 A C -1.897 175.794 177.584 0.178 0.000 1.086 45 A CA -0.719 51.377 52.037 0.098 0.000 0.665 45 A CB 1.085 20.074 19.000 -0.020 0.000 1.279 45 A HN 0.123 nan 8.150 nan 0.000 0.423 46 L N 0.442 121.836 121.223 0.285 0.000 2.422 46 L HA 0.670 5.015 4.340 0.008 0.000 0.264 46 L C -1.156 175.852 176.870 0.230 0.000 0.984 46 L CA -0.394 54.582 54.840 0.226 0.000 0.819 46 L CB 2.148 44.332 42.059 0.207 0.000 1.330 46 L HN 0.618 nan 8.230 nan 0.000 0.410 47 I N 3.211 123.875 120.570 0.156 0.000 2.466 47 I HA 0.359 4.534 4.170 0.008 0.000 0.289 47 I C -1.098 175.105 176.117 0.144 0.000 1.026 47 I CA -0.665 60.689 61.300 0.090 0.000 1.078 47 I CB 2.211 40.246 38.000 0.058 0.000 1.249 47 I HN 0.283 nan 8.210 nan 0.000 0.429 48 L N 5.837 127.165 121.223 0.174 0.000 2.264 48 L HA 0.375 4.720 4.340 0.008 0.000 0.289 48 L C 0.717 177.764 176.870 0.294 0.000 1.044 48 L CA 0.104 55.157 54.840 0.356 0.000 0.807 48 L CB 1.371 43.645 42.059 0.358 0.000 1.192 48 L HN 0.699 nan 8.230 nan 0.000 0.425 49 S N 1.673 117.614 115.700 0.402 0.000 2.640 49 S HA 0.720 5.195 4.470 0.008 0.000 0.262 49 S C 0.478 175.295 174.600 0.362 0.000 1.232 49 S CA -0.164 58.225 58.200 0.316 0.000 0.988 49 S CB 0.872 64.230 63.200 0.264 0.000 1.034 49 S HN 0.677 nan 8.310 nan 0.000 0.569 50 G N -1.408 107.585 108.800 0.322 0.000 2.537 50 G HA2 0.654 4.619 3.960 0.008 0.000 0.297 50 G HA3 0.654 4.619 3.960 0.008 0.000 0.297 50 G C -0.040 175.001 174.900 0.234 0.000 1.310 50 G CA -0.631 44.668 45.100 0.332 0.000 1.027 50 G HN 1.292 nan 8.290 nan 0.000 0.505 51 G N -1.764 107.093 108.800 0.094 0.000 2.703 51 G HA2 0.570 4.535 3.960 0.008 0.000 0.294 51 G HA3 0.570 4.535 3.960 0.008 0.000 0.294 51 G C -1.990 172.829 174.900 -0.135 0.000 1.451 51 G CA -0.421 44.575 45.100 -0.172 0.000 0.869 51 G HN 0.351 nan 8.290 nan 0.000 0.516 52 P HA -0.011 nan 4.420 nan 0.000 0.223 52 P C 0.630 177.865 177.300 -0.109 0.000 1.151 52 P CA 0.416 63.462 63.100 -0.090 0.000 0.787 52 P CB 0.607 32.258 31.700 -0.082 0.000 0.788 53 R N -0.307 120.080 120.500 -0.187 0.000 2.541 53 R HA 0.486 4.831 4.340 0.008 0.000 0.263 53 R C 0.467 176.731 176.300 -0.061 0.000 1.112 53 R CA -0.449 55.567 56.100 -0.139 0.000 1.170 53 R CB 0.466 30.680 30.300 -0.143 0.000 1.167 53 R HN -0.039 nan 8.270 nan 0.000 0.582 54 S N -0.363 115.276 115.700 -0.101 0.000 2.565 54 S HA 0.158 4.633 4.470 0.008 0.000 0.290 54 S C 1.473 175.936 174.600 -0.228 0.000 1.150 54 S CA -0.847 57.207 58.200 -0.243 0.000 1.058 54 S CB 1.374 64.167 63.200 -0.678 0.000 1.032 54 S HN 0.457 nan 8.310 nan 0.000 0.510 55 V N 3.261 122.999 119.914 -0.293 0.000 2.231 55 V HA -0.151 3.974 4.120 0.008 0.000 0.248 55 V C 1.867 177.844 176.094 -0.194 0.000 1.054 55 V CA 2.473 64.611 62.300 -0.269 0.000 1.015 55 V CB -1.956 29.701 31.823 -0.276 0.000 0.638 55 V HN 0.952 nan 8.190 nan 0.000 0.444 56 F N 1.732 121.682 119.950 -0.001 0.000 2.293 56 F HA 0.140 4.672 4.527 0.008 0.000 0.300 56 F C 1.211 177.026 175.800 0.026 0.000 1.086 56 F CA 0.225 58.227 58.000 0.002 0.000 1.375 56 F CB -1.283 37.713 39.000 -0.007 0.000 1.045 56 F HN 0.227 nan 8.300 nan 0.000 0.516 57 D N 3.513 123.754 120.400 -0.266 0.000 2.601 57 D HA -0.111 4.534 4.640 0.008 0.000 0.229 57 D C -1.215 175.102 176.300 0.029 0.000 1.140 57 D CA -0.472 53.484 54.000 -0.073 0.000 0.862 57 D CB 1.198 41.900 40.800 -0.164 0.000 1.192 57 D HN 0.045 nan 8.370 nan 0.000 0.480 58 P HA -0.120 nan 4.420 nan 0.000 0.212 58 P C 0.338 177.661 177.300 0.039 0.000 1.180 58 P CA 0.986 64.117 63.100 0.051 0.000 0.906 58 P CB 0.137 31.866 31.700 0.049 0.000 0.782 59 D N 0.202 120.618 120.400 0.027 0.000 2.355 59 D HA 0.186 4.831 4.640 0.008 0.000 0.253 59 D C 0.581 176.898 176.300 0.029 0.000 1.187 59 D CA 0.187 54.201 54.000 0.023 0.000 0.900 59 D CB -0.811 39.995 40.800 0.011 0.000 0.915 59 D HN 0.188 nan 8.370 nan 0.000 0.516 60 A N 1.574 124.422 122.820 0.045 0.000 2.454 60 A HA 0.376 4.701 4.320 0.008 0.000 0.260 60 A C -2.099 175.575 177.584 0.149 0.000 1.106 60 A CA -1.062 51.029 52.037 0.090 0.000 0.780 60 A CB 0.143 19.209 19.000 0.110 0.000 1.044 60 A HN -0.047 nan 8.150 nan 0.000 0.498 61 P HA 0.319 nan 4.420 nan 0.000 0.268 61 P C -0.295 177.245 177.300 0.400 0.000 1.205 61 P CA 0.186 63.452 63.100 0.277 0.000 0.771 61 P CB 0.532 32.422 31.700 0.316 0.000 0.858 62 R N 2.823 123.520 120.500 0.328 0.000 2.771 62 R HA 0.503 4.848 4.340 0.008 0.000 0.274 62 R C -2.567 173.905 176.300 0.286 0.000 0.987 62 R CA -1.952 54.311 56.100 0.273 0.000 0.908 62 R CB 2.253 32.617 30.300 0.106 0.000 1.213 62 R HN 0.375 nan 8.270 nan 0.000 0.468 63 P HA -0.003 nan 4.420 nan 0.000 0.278 63 P C -1.016 176.240 177.300 -0.073 0.000 1.266 63 P CA -0.347 62.804 63.100 0.085 0.000 0.807 63 P CB 0.614 32.295 31.700 -0.033 0.000 1.094 64 D N 1.143 121.495 120.400 -0.081 0.000 2.450 64 D HA 0.006 4.651 4.640 0.008 0.000 0.247 64 D C -1.340 174.869 176.300 -0.152 0.000 1.162 64 D CA -1.353 52.599 54.000 -0.081 0.000 0.879 64 D CB 0.524 41.296 40.800 -0.047 0.000 1.163 64 D HN 0.067 nan 8.370 nan 0.000 0.472 65 P HA -0.188 nan 4.420 nan 0.000 0.218 65 P C 0.970 178.211 177.300 -0.097 0.000 1.152 65 P CA 1.184 64.220 63.100 -0.107 0.000 0.857 65 P CB 0.261 31.933 31.700 -0.046 0.000 0.787 66 R N -1.623 118.839 120.500 -0.063 0.000 2.275 66 R HA 0.108 4.453 4.340 0.008 0.000 0.199 66 R C 2.013 178.304 176.300 -0.014 0.000 0.989 66 R CA 0.131 56.219 56.100 -0.019 0.000 1.016 66 R CB -1.652 28.650 30.300 0.003 0.000 0.918 66 R HN 0.257 nan 8.270 nan 0.000 0.473 67 L N 0.575 121.743 121.223 -0.091 0.000 1.997 67 L HA -0.156 4.189 4.340 0.008 0.000 0.216 67 L C 1.428 178.371 176.870 0.121 0.000 1.074 67 L CA 1.846 56.657 54.840 -0.050 0.000 0.763 67 L CB -0.592 41.355 42.059 -0.186 0.000 0.890 67 L HN -0.026 nan 8.230 nan 0.000 0.434 68 F N -0.694 119.301 119.950 0.076 0.000 2.722 68 F HA 0.013 4.555 4.527 0.025 0.000 0.298 68 F C 2.309 178.159 175.800 0.083 0.000 1.175 68 F CA 0.681 58.732 58.000 0.085 0.000 1.462 68 F CB -1.338 37.703 39.000 0.068 0.000 1.111 68 F HN 0.136 nan 8.300 nan 0.000 0.592 69 S N -1.301 114.529 115.700 0.217 0.000 2.523 69 S HA -0.038 4.437 4.470 0.008 0.000 0.217 69 S C 2.030 176.699 174.600 0.116 0.000 0.996 69 S CA 0.553 58.841 58.200 0.147 0.000 0.921 69 S CB -0.097 63.163 63.200 0.100 0.000 0.829 69 S HN 0.397 nan 8.310 nan 0.000 0.495 70 S N 1.552 117.326 115.700 0.123 0.000 2.442 70 S HA 0.102 4.577 4.470 0.008 0.000 0.236 70 S C 1.808 176.465 174.600 0.095 0.000 1.007 70 S CA 0.954 59.214 58.200 0.100 0.000 0.965 70 S CB -0.740 62.522 63.200 0.104 0.000 0.773 70 S HN 0.827 nan 8.310 nan 0.000 0.504 71 G N 0.663 109.529 108.800 0.110 0.000 2.162 71 G HA2 -0.239 3.726 3.960 0.008 0.000 0.260 71 G HA3 -0.239 3.726 3.960 0.008 0.000 0.260 71 G C -0.062 174.890 174.900 0.086 0.000 0.976 71 G CA 0.323 45.475 45.100 0.085 0.000 0.655 71 G HN 0.558 nan 8.290 nan 0.000 0.533 72 L N 1.051 122.342 121.223 0.113 0.000 2.380 72 L HA 0.334 4.679 4.340 0.008 0.000 0.273 72 L C -1.592 175.365 176.870 0.146 0.000 1.138 72 L CA -1.960 52.950 54.840 0.117 0.000 0.832 72 L CB 0.827 42.965 42.059 0.131 0.000 1.124 72 L HN -0.110 nan 8.230 nan 0.000 0.454 73 P HA 0.068 nan 4.420 nan 0.000 0.264 73 P C -0.949 176.576 177.300 0.376 0.000 1.183 73 P CA 0.473 63.698 63.100 0.208 0.000 0.763 73 P CB 0.463 32.202 31.700 0.064 0.000 0.807 74 L N 3.191 124.668 121.223 0.424 0.000 2.388 74 L HA 0.623 4.968 4.340 0.008 0.000 0.264 74 L C -0.772 176.145 176.870 0.079 0.000 0.998 74 L CA -1.021 54.005 54.840 0.310 0.000 0.817 74 L CB 2.117 44.290 42.059 0.190 0.000 1.338 74 L HN 0.180 nan 8.230 nan 0.000 0.414 75 L N 1.843 122.936 121.223 -0.218 0.000 2.457 75 L HA 0.706 5.051 4.340 0.008 0.000 0.266 75 L C -0.345 176.391 176.870 -0.223 0.000 0.979 75 L CA 0.053 54.584 54.840 -0.514 0.000 0.857 75 L CB 1.600 42.862 42.059 -1.330 0.000 1.213 75 L HN 0.522 nan 8.230 nan 0.000 0.418 76 G N 5.550 114.263 108.800 -0.144 0.000 2.332 76 G HA2 0.612 4.577 3.960 0.008 0.000 0.310 76 G HA3 0.612 4.577 3.960 0.008 0.000 0.310 76 G C -0.787 174.022 174.900 -0.152 0.000 1.123 76 G CA -0.412 44.627 45.100 -0.101 0.000 0.873 76 G HN 0.572 nan 8.290 nan 0.000 0.460 77 I N 2.336 122.836 120.570 -0.116 0.000 2.382 77 I HA 0.209 4.384 4.170 0.008 0.000 0.285 77 I C 0.770 176.790 176.117 -0.162 0.000 1.007 77 I CA -0.398 60.788 61.300 -0.189 0.000 1.142 77 I CB 0.881 38.787 38.000 -0.155 0.000 1.289 77 I HN 0.708 nan 8.210 nan 0.000 0.453 78 C N 4.118 123.290 119.300 -0.214 0.000 5.333 78 C HA -0.384 4.081 4.460 0.008 0.000 0.297 78 C C 2.051 177.019 174.990 -0.037 0.000 2.206 78 C CA 1.234 60.183 59.018 -0.115 0.000 2.002 78 C CB -1.747 25.934 27.740 -0.098 0.000 3.232 78 C HN 0.851 nan 8.230 nan 0.000 0.528 79 Y N 2.676 122.935 120.300 -0.069 0.000 2.181 79 Y HA -0.102 4.452 4.550 0.006 0.000 0.284 79 Y C 2.113 177.895 175.900 -0.196 0.000 1.179 79 Y CA 2.895 60.931 58.100 -0.107 0.000 1.179 79 Y CB -0.870 37.550 38.460 -0.065 0.000 0.973 79 Y HN 0.624 nan 8.280 nan 0.000 0.519 80 G N -0.313 108.438 108.800 -0.081 0.000 2.403 80 G HA2 -0.273 3.692 3.960 0.008 0.000 0.216 80 G HA3 -0.273 3.692 3.960 0.008 0.000 0.216 80 G C 1.727 176.502 174.900 -0.208 0.000 1.154 80 G CA 0.748 45.748 45.100 -0.166 0.000 0.784 80 G HN 0.517 nan 8.290 nan 0.000 0.538 81 M N 0.134 119.623 119.600 -0.186 0.000 2.229 81 M HA -0.026 4.459 4.480 0.008 0.000 0.264 81 M C 2.566 178.727 176.300 -0.231 0.000 1.063 81 M CA 1.223 56.411 55.300 -0.187 0.000 1.114 81 M CB -0.071 32.433 32.600 -0.159 0.000 1.387 81 M HN 0.253 nan 8.290 nan 0.000 0.420 82 Q N 0.222 119.869 119.800 -0.256 0.000 2.123 82 Q HA -0.103 4.242 4.340 0.008 0.000 0.199 82 Q C 2.075 177.877 176.000 -0.330 0.000 0.966 82 Q CA 1.232 56.871 55.803 -0.273 0.000 0.845 82 Q CB -0.159 28.417 28.738 -0.270 0.000 0.907 82 Q HN 0.543 nan 8.270 nan 0.000 0.439 83 L N 0.190 121.163 121.223 -0.416 0.000 2.042 83 L HA -0.231 4.114 4.340 0.008 0.000 0.210 83 L C 2.127 178.878 176.870 -0.199 0.000 1.076 83 L CA 0.730 55.385 54.840 -0.308 0.000 0.749 83 L CB -0.384 41.502 42.059 -0.287 0.000 0.893 83 L HN 0.235 nan 8.230 nan 0.000 0.432 84 L N -0.196 120.797 121.223 -0.384 0.000 2.042 84 L HA -0.183 4.162 4.340 0.008 0.000 0.210 84 L C 2.731 179.270 176.870 -0.552 0.000 1.076 84 L CA 2.134 56.591 54.840 -0.639 0.000 0.749 84 L CB -1.313 40.374 42.059 -0.620 0.000 0.893 84 L HN 0.184 nan 8.230 nan 0.000 0.432 85 A N -0.467 122.092 122.820 -0.436 0.000 1.897 85 A HA -0.211 4.114 4.320 0.008 0.000 0.215 85 A C 2.223 179.652 177.584 -0.259 0.000 1.181 85 A CA 1.286 53.091 52.037 -0.386 0.000 0.620 85 A CB -0.562 18.268 19.000 -0.284 0.000 0.821 85 A HN 0.595 nan 8.150 nan 0.000 0.443 86 Q N -0.265 119.420 119.800 -0.192 0.000 2.297 86 Q HA -0.066 4.279 4.340 0.008 0.000 0.204 86 Q C 0.942 176.894 176.000 -0.080 0.000 0.962 86 Q CA 1.642 57.376 55.803 -0.116 0.000 0.879 86 Q CB -0.173 28.511 28.738 -0.090 0.000 0.947 86 Q HN 0.723 nan 8.270 nan 0.000 0.462 87 E N 0.042 120.201 120.200 -0.069 0.000 2.526 87 E HA 0.187 4.542 4.350 0.008 0.000 0.208 87 E C 0.706 177.306 176.600 -0.000 0.000 0.997 87 E CA -0.077 56.333 56.400 0.016 0.000 0.961 87 E CB 0.642 30.433 29.700 0.153 0.000 1.030 87 E HN 0.337 nan 8.360 nan 0.000 0.483 88 L N -0.147 120.997 121.223 -0.132 0.000 2.959 88 L HA 0.340 4.685 4.340 0.008 0.000 0.259 88 L C 1.002 177.759 176.870 -0.188 0.000 1.185 88 L CA 0.159 54.897 54.840 -0.170 0.000 0.998 88 L CB 0.837 42.680 42.059 -0.360 0.000 1.337 88 L HN 0.296 nan 8.230 nan 0.000 0.555 89 G N -0.275 108.434 108.800 -0.151 0.000 2.179 89 G HA2 -0.207 3.758 3.960 0.008 0.000 0.220 89 G HA3 -0.207 3.758 3.960 0.008 0.000 0.220 89 G C 0.562 175.371 174.900 -0.151 0.000 0.990 89 G CA -0.265 44.761 45.100 -0.124 0.000 0.646 89 G HN 0.472 nan 8.290 nan 0.000 0.517 90 G N -0.629 108.040 108.800 -0.217 0.000 2.621 90 G HA2 0.573 4.538 3.960 0.008 0.000 0.271 90 G HA3 0.573 4.538 3.960 0.008 0.000 0.271 90 G C -0.086 174.733 174.900 -0.135 0.000 1.236 90 G CA -0.027 44.950 45.100 -0.205 0.000 0.958 90 G HN 0.543 nan 8.290 nan 0.000 0.512 91 R N -1.314 119.120 120.500 -0.110 0.000 2.534 91 R HA 0.548 4.893 4.340 0.008 0.000 0.301 91 R C -1.810 174.451 176.300 -0.064 0.000 0.961 91 R CA -0.612 55.443 56.100 -0.075 0.000 0.871 91 R CB 2.082 32.346 30.300 -0.059 0.000 1.170 91 R HN 0.436 nan 8.270 nan 0.000 0.446 92 V N 4.115 124.004 119.914 -0.041 0.000 2.569 92 V HA 0.405 4.530 4.120 0.008 0.000 0.301 92 V C -0.884 175.223 176.094 0.023 0.000 1.044 92 V CA -0.548 61.745 62.300 -0.010 0.000 0.874 92 V CB 1.805 33.623 31.823 -0.010 0.000 1.002 92 V HN 0.833 nan 8.190 nan 0.000 0.424 93 E N 5.832 126.042 120.200 0.017 0.000 2.280 93 E HA 0.533 4.888 4.350 0.008 0.000 0.264 93 E C 0.014 176.659 176.600 0.075 0.000 1.064 93 E CA -0.180 56.221 56.400 0.002 0.000 0.900 93 E CB 1.683 31.373 29.700 -0.015 0.000 1.123 93 E HN 0.937 nan 8.360 nan 0.000 0.418 101 G N 0.694 108.697 108.800 -1.329 0.000 2.596 101 G HA2 0.504 4.469 3.960 0.008 0.000 0.296 101 G HA3 0.504 4.469 3.960 0.008 0.000 0.296 101 G C -2.095 172.571 174.900 -0.389 0.000 1.513 101 G CA -1.325 43.336 45.100 -0.731 0.000 0.851 101 G HN 0.414 nan 8.290 nan 0.000 0.548 102 K N -0.090 120.322 120.400 0.019 0.000 2.295 102 K HA 0.671 4.996 4.320 0.008 0.000 0.270 102 K C 0.116 176.787 176.600 0.118 0.000 1.011 102 K CA 0.210 56.617 56.287 0.200 0.000 0.953 102 K CB 1.536 34.184 32.500 0.246 0.000 0.956 102 K HN 0.956 nan 8.250 nan 0.000 0.477 103 A N 2.363 125.247 122.820 0.107 0.000 2.605 103 A HA 0.457 4.782 4.320 0.008 0.000 0.294 103 A C -1.535 176.073 177.584 0.040 0.000 1.062 103 A CA -0.828 51.254 52.037 0.076 0.000 0.682 103 A CB 1.015 20.072 19.000 0.095 0.000 1.278 103 A HN 0.561 nan 8.150 nan 0.000 0.410 104 L N 1.821 123.062 121.223 0.029 0.000 2.295 104 L HA 0.430 4.775 4.340 0.008 0.000 0.285 104 L C -0.533 176.344 176.870 0.012 0.000 1.035 104 L CA -0.639 54.207 54.840 0.010 0.000 0.806 104 L CB 1.398 43.466 42.059 0.016 0.000 1.214 104 L HN 0.635 nan 8.230 nan 0.000 0.426 105 L N 2.815 124.038 121.223 -0.001 0.000 2.361 105 L HA 0.070 4.415 4.340 0.008 0.000 0.278 105 L C 1.416 178.322 176.870 0.060 0.000 1.113 105 L CA 0.070 54.928 54.840 0.030 0.000 0.849 105 L CB 1.119 43.188 42.059 0.016 0.000 1.155 105 L HN 0.677 nan 8.230 nan 0.000 0.452 106 T N 3.624 118.189 114.554 0.020 0.000 3.067 106 T HA 0.118 4.473 4.350 0.008 0.000 0.257 106 T C 0.814 175.468 174.700 -0.077 0.000 1.105 106 T CA 0.692 62.785 62.100 -0.011 0.000 1.104 106 T CB 0.045 68.905 68.868 -0.014 0.000 0.925 106 T HN 0.521 nan 8.240 nan 0.000 0.498 107 R N 0.341 120.781 120.500 -0.099 0.000 2.740 107 R HA 0.491 4.836 4.340 0.008 0.000 0.273 107 R C -1.798 174.321 176.300 -0.302 0.000 0.998 107 R CA -0.828 55.125 56.100 -0.246 0.000 0.900 107 R CB 1.704 31.916 30.300 -0.147 0.000 1.223 107 R HN 0.584 nan 8.270 nan 0.000 0.466 108 H N -0.815 118.060 119.070 -0.324 0.000 3.455 108 H HA 0.294 4.855 4.556 0.008 0.000 0.351 108 H C -1.663 173.474 175.328 -0.318 0.000 1.554 108 H CA -0.801 54.819 56.048 -0.714 0.000 1.639 108 H CB 0.284 29.400 29.762 -1.076 0.000 2.324 108 H HN 0.452 nan 8.280 nan 0.000 0.399 109 E N 1.893 122.079 120.200 -0.024 0.000 2.359 109 E HA 0.707 5.062 4.350 0.008 0.000 0.266 109 E C 0.081 176.892 176.600 0.352 0.000 0.920 109 E CA -1.053 55.440 56.400 0.155 0.000 0.788 109 E CB 2.616 32.352 29.700 0.059 0.000 1.279 109 E HN 1.034 nan 8.360 nan 0.000 0.438 110 G N 1.315 110.269 108.800 0.256 0.000 2.661 110 G HA2 -0.159 3.806 3.960 0.008 0.000 0.685 110 G HA3 -0.159 3.806 3.960 0.008 0.000 0.685 110 G C -2.146 172.874 174.900 0.199 0.000 1.298 110 G CA -0.512 44.729 45.100 0.236 0.000 0.855 110 G HN 0.453 nan 8.290 nan 0.000 0.560 111 P HA -0.021 nan 4.420 nan 0.000 0.225 111 P C 1.987 179.234 177.300 -0.088 0.000 1.148 111 P CA 0.993 64.112 63.100 0.031 0.000 0.779 111 P CB 0.184 31.903 31.700 0.031 0.000 0.780 112 L N -1.375 119.724 121.223 -0.206 0.000 2.275 112 L HA 0.069 4.414 4.340 0.008 0.000 0.215 112 L C 1.336 177.824 176.870 -0.636 0.000 1.119 112 L CA 1.592 56.107 54.840 -0.542 0.000 0.790 112 L CB -0.912 40.666 42.059 -0.802 0.000 0.919 112 L HN -0.214 nan 8.230 nan 0.000 0.443 113 F N -0.747 119.220 119.950 0.029 0.000 2.698 113 F HA 0.342 4.874 4.527 0.009 0.000 0.304 113 F C 0.915 176.738 175.800 0.039 0.000 1.108 113 F CA -0.689 57.339 58.000 0.047 0.000 1.263 113 F CB -0.219 38.859 39.000 0.130 0.000 1.013 113 F HN -0.259 nan 8.300 nan 0.000 0.532 114 R N 0.385 120.951 120.500 0.110 0.000 2.522 114 R HA 0.289 4.634 4.340 0.008 0.000 0.284 114 R C 1.382 177.719 176.300 0.061 0.000 1.032 114 R CA 1.148 57.298 56.100 0.084 0.000 1.049 114 R CB 0.067 30.390 30.300 0.037 0.000 0.956 114 R HN 0.536 nan 8.270 nan 0.000 0.422 115 G N 2.245 111.083 108.800 0.064 0.000 2.253 115 G HA2 -0.281 3.684 3.960 0.008 0.000 0.251 115 G HA3 -0.281 3.684 3.960 0.008 0.000 0.251 115 G C -0.060 174.860 174.900 0.034 0.000 0.998 115 G CA -0.299 44.825 45.100 0.039 0.000 0.621 115 G HN 0.425 nan 8.290 nan 0.000 0.524 116 L N 2.012 123.263 121.223 0.048 0.000 2.375 116 L HA 0.653 4.998 4.340 0.008 0.000 0.276 116 L C 0.541 177.392 176.870 -0.031 0.000 1.162 116 L CA 0.125 54.953 54.840 -0.020 0.000 0.991 116 L CB 0.854 42.885 42.059 -0.047 0.000 1.315 116 L HN 0.243 nan 8.230 nan 0.000 0.431 117 E N 0.659 120.866 120.200 0.012 0.000 2.601 117 E HA 0.805 5.160 4.350 0.008 0.000 0.250 117 E C 0.885 177.505 176.600 0.033 0.000 1.099 117 E CA 0.262 56.702 56.400 0.067 0.000 0.968 117 E CB 0.457 30.191 29.700 0.057 0.000 1.290 117 E HN 0.452 nan 8.360 nan 0.000 0.505 118 G N 0.637 109.471 108.800 0.057 0.000 2.594 118 G HA2 -0.343 3.622 3.960 0.008 0.000 0.297 118 G HA3 -0.343 3.622 3.960 0.008 0.000 0.297 118 G C -0.505 174.417 174.900 0.036 0.000 1.273 118 G CA 0.677 45.799 45.100 0.037 0.000 0.974 118 G HN 0.680 nan 8.290 nan 0.000 0.552 119 E N -0.875 119.329 120.200 0.007 0.000 2.283 119 E HA 0.545 4.900 4.350 0.008 0.000 0.278 119 E C -0.502 176.069 176.600 -0.047 0.000 1.027 119 E CA -0.927 55.471 56.400 -0.004 0.000 0.843 119 E CB 1.796 31.495 29.700 -0.002 0.000 1.062 119 E HN 0.576 nan 8.360 nan 0.000 0.401 120 V N 4.096 123.965 119.914 -0.075 0.000 2.289 120 V HA 0.121 4.246 4.120 0.008 0.000 0.272 120 V C -0.178 175.846 176.094 -0.118 0.000 1.026 120 V CA -0.686 61.532 62.300 -0.137 0.000 0.807 120 V CB 0.654 32.318 31.823 -0.266 0.000 1.044 120 V HN 0.792 nan 8.190 nan 0.000 0.443 121 Q N 3.809 123.559 119.800 -0.083 0.000 2.304 121 Q HA 0.586 4.931 4.340 0.008 0.000 0.260 121 Q C -0.622 175.320 176.000 -0.097 0.000 0.965 121 Q CA -0.259 55.514 55.803 -0.049 0.000 0.898 121 Q CB 1.747 30.487 28.738 0.004 0.000 1.196 121 Q HN 0.727 nan 8.270 nan 0.000 0.402 122 V N 1.128 120.988 119.914 -0.089 0.000 3.001 122 V HA 0.524 4.649 4.120 0.008 0.000 0.314 122 V C -1.126 175.070 176.094 0.170 0.000 1.099 122 V CA -1.142 61.072 62.300 -0.142 0.000 0.989 122 V CB 1.813 33.272 31.823 -0.606 0.000 1.040 122 V HN 0.987 nan 8.190 nan 0.000 0.434 123 W N 5.450 126.757 121.300 0.011 0.000 2.292 123 W HA 0.458 5.122 4.660 0.007 0.000 0.352 123 W C -0.715 175.907 176.519 0.171 0.000 0.962 123 W CA -0.937 56.445 57.345 0.062 0.000 1.496 123 W CB 1.337 30.806 29.460 0.015 0.000 1.381 123 W HN 0.574 nan 8.180 nan 0.000 0.363 124 M N 2.888 122.467 119.600 -0.035 0.000 2.228 124 M HA 0.054 4.539 4.480 0.008 0.000 0.326 124 M C 0.333 176.557 176.300 -0.127 0.000 1.122 124 M CA 0.291 55.609 55.300 0.030 0.000 1.161 124 M CB 1.330 34.014 32.600 0.138 0.000 1.437 124 M HN 0.214 nan 8.290 nan 0.000 0.465 125 S N 0.355 116.111 115.700 0.094 0.000 2.456 125 S HA 0.336 4.811 4.470 0.008 0.000 0.316 125 S C 0.506 175.202 174.600 0.159 0.000 1.089 125 S CA -0.525 57.779 58.200 0.173 0.000 1.101 125 S CB 0.217 63.596 63.200 0.298 0.000 0.995 125 S HN 0.695 nan 8.310 nan 0.000 0.468 126 H N 2.284 121.376 119.070 0.037 0.000 2.551 126 H HA 0.099 4.660 4.556 0.008 0.000 0.266 126 H C 0.755 176.093 175.328 0.017 0.000 0.964 126 H CA -0.142 55.910 56.048 0.007 0.000 1.180 126 H CB 0.378 30.120 29.762 -0.033 0.000 1.408 126 H HN 0.649 nan 8.280 nan 0.000 0.563 127 Q N 1.952 121.833 119.800 0.134 0.000 2.286 127 Q HA 0.192 4.537 4.340 0.008 0.000 0.257 127 Q C -0.732 175.328 176.000 0.100 0.000 0.941 127 Q CA -0.649 55.212 55.803 0.096 0.000 0.912 127 Q CB 1.032 29.805 28.738 0.058 0.000 1.192 127 Q HN 0.145 nan 8.270 nan 0.000 0.410 128 D N 0.575 121.038 120.400 0.105 0.000 4.121 128 D HA -0.033 4.612 4.640 0.008 0.000 0.291 128 D C -1.111 175.236 176.300 0.078 0.000 2.247 128 D CA 1.762 55.829 54.000 0.112 0.000 1.125 128 D CB -0.818 40.041 40.800 0.099 0.000 1.032 128 D HN 1.088 nan 8.370 nan 0.000 1.224 129 A N -1.790 121.064 122.820 0.056 0.000 2.569 129 A HA 0.528 4.853 4.320 0.008 0.000 0.292 129 A C -1.520 176.066 177.584 0.004 0.000 1.032 129 A CA -0.498 51.556 52.037 0.029 0.000 0.669 129 A CB 1.172 20.190 19.000 0.029 0.000 1.290 129 A HN 0.665 nan 8.150 nan 0.000 0.422 130 V N 2.230 122.136 119.914 -0.013 0.000 2.368 130 V HA 0.297 4.422 4.120 0.008 0.000 0.266 130 V C 1.175 177.253 176.094 -0.027 0.000 1.045 130 V CA 0.687 62.964 62.300 -0.038 0.000 0.899 130 V CB 0.496 32.284 31.823 -0.059 0.000 1.006 130 V HN 1.018 nan 8.190 nan 0.000 0.470 131 T N 3.260 117.796 114.554 -0.029 0.000 2.985 131 T HA 0.205 4.560 4.350 0.008 0.000 0.266 131 T C 0.647 175.329 174.700 -0.030 0.000 1.076 131 T CA 1.186 63.271 62.100 -0.025 0.000 1.135 131 T CB 0.231 69.083 68.868 -0.027 0.000 0.890 131 T HN 0.799 nan 8.240 nan 0.000 0.480 132 A N 1.987 124.779 122.820 -0.046 0.000 2.459 132 A HA 0.660 4.985 4.320 0.008 0.000 0.296 132 A C -2.932 174.601 177.584 -0.084 0.000 1.039 132 A CA -1.715 50.292 52.037 -0.050 0.000 0.698 132 A CB 1.583 20.553 19.000 -0.049 0.000 1.261 132 A HN -0.048 nan 8.150 nan 0.000 0.405 133 P HA 0.410 nan 4.420 nan 0.000 0.276 133 P C -2.782 174.388 177.300 -0.217 0.000 1.261 133 P CA -1.571 61.453 63.100 -0.128 0.000 0.800 133 P CB -0.205 31.499 31.700 0.007 0.000 1.066 134 P HA 0.160 nan 4.420 nan 0.000 0.266 134 P C -2.276 174.901 177.300 -0.205 0.000 1.195 134 P CA -0.696 62.066 63.100 -0.563 0.000 0.768 134 P CB -1.263 29.613 31.700 -1.373 0.000 0.838 135 P HA -0.028 nan 4.420 nan 0.000 0.258 135 P C 1.030 178.418 177.300 0.148 0.000 1.172 135 P CA 1.759 64.874 63.100 0.026 0.000 0.762 135 P CB -0.124 31.581 31.700 0.009 0.000 0.764 136 G N 1.356 110.252 108.800 0.160 0.000 2.254 136 G HA2 -0.196 3.769 3.960 0.008 0.000 0.225 136 G HA3 -0.196 3.769 3.960 0.008 0.000 0.225 136 G C -0.357 174.681 174.900 0.230 0.000 1.003 136 G CA -0.719 44.489 45.100 0.180 0.000 0.622 136 G HN 0.325 nan 8.290 nan 0.000 0.507 137 W N 2.357 123.628 121.300 -0.048 0.000 2.184 137 W HA 0.785 5.447 4.660 0.004 0.000 0.338 137 W C 0.899 177.396 176.519 -0.038 0.000 1.257 137 W CA -0.595 56.715 57.345 -0.059 0.000 1.243 137 W CB 0.428 29.840 29.460 -0.079 0.000 1.122 137 W HN -0.007 nan 8.180 nan 0.000 0.585 138 R N 0.903 121.495 120.500 0.152 0.000 2.643 138 R HA 0.507 4.852 4.340 0.008 0.000 0.272 138 R C -1.126 175.253 176.300 0.132 0.000 0.995 138 R CA -1.173 54.989 56.100 0.104 0.000 1.032 138 R CB 1.413 31.745 30.300 0.053 0.000 1.126 138 R HN 0.207 nan 8.270 nan 0.000 0.505 139 V N 3.381 123.357 119.914 0.103 0.000 2.320 139 V HA 0.051 4.176 4.120 0.008 0.000 0.265 139 V C 1.301 177.459 176.094 0.107 0.000 1.048 139 V CA -0.201 62.162 62.300 0.104 0.000 0.865 139 V CB 1.154 33.019 31.823 0.068 0.000 1.043 139 V HN 0.672 nan 8.190 nan 0.000 0.474 140 V N 2.077 122.091 119.914 0.167 0.000 3.649 140 V HA 0.728 4.853 4.120 0.008 0.000 0.275 140 V C 0.623 176.771 176.094 0.090 0.000 1.281 140 V CA 0.714 63.131 62.300 0.195 0.000 1.143 140 V CB -0.246 31.808 31.823 0.386 0.000 0.892 140 V HN 0.828 nan 8.190 nan 0.000 0.441 141 A N 0.676 123.541 122.820 0.075 0.000 2.605 141 A HA 0.782 5.106 4.320 0.008 0.000 0.294 141 A C -0.861 176.757 177.584 0.056 0.000 1.062 141 A CA -0.127 51.897 52.037 -0.022 0.000 0.682 141 A CB 1.493 20.474 19.000 -0.032 0.000 1.278 141 A HN 0.717 nan 8.150 nan 0.000 0.410 142 E N -0.358 119.861 120.200 0.032 0.000 2.396 142 E HA 0.658 5.013 4.350 0.008 0.000 0.280 142 E C -0.677 175.949 176.600 0.045 0.000 1.065 142 E CA -0.389 56.043 56.400 0.054 0.000 0.831 142 E CB 1.345 31.062 29.700 0.028 0.000 1.272 142 E HN 0.977 nan 8.360 nan 0.000 0.443 143 T N -1.991 112.596 114.554 0.054 0.000 2.870 143 T HA 0.289 4.644 4.350 0.008 0.000 0.277 143 T C 0.887 175.600 174.700 0.022 0.000 1.000 143 T CA -0.540 61.585 62.100 0.042 0.000 0.982 143 T CB 1.555 70.459 68.868 0.060 0.000 1.249 143 T HN 0.562 nan 8.240 nan 0.000 0.589 144 E N 0.288 120.497 120.200 0.016 0.000 2.077 144 E HA -0.155 4.200 4.350 0.008 0.000 0.193 144 E C 1.738 178.337 176.600 -0.001 0.000 0.989 144 E CA 1.389 57.791 56.400 0.004 0.000 0.800 144 E CB -0.078 29.623 29.700 0.003 0.000 0.746 144 E HN 0.661 nan 8.360 nan 0.000 0.452 145 E N 0.366 120.563 120.200 -0.004 0.000 2.122 145 E HA -0.044 4.311 4.350 0.008 0.000 0.190 145 E C 0.806 177.400 176.600 -0.010 0.000 0.977 145 E CA 0.235 56.623 56.400 -0.020 0.000 0.820 145 E CB -0.130 29.540 29.700 -0.052 0.000 0.770 145 E HN 0.042 nan 8.360 nan 0.000 0.462 146 N N 1.526 120.233 118.700 0.012 0.000 2.501 146 N HA 0.086 4.831 4.740 0.008 0.000 0.245 146 N C -2.050 173.479 175.510 0.031 0.000 0.974 146 N CA -1.912 51.154 53.050 0.026 0.000 0.941 146 N CB 1.698 40.219 38.487 0.055 0.000 1.122 146 N HN -0.184 nan 8.380 nan 0.000 0.507 147 P HA 0.003 nan 4.420 nan 0.000 0.237 147 P C -0.187 177.130 177.300 0.029 0.000 1.178 147 P CA 0.460 63.571 63.100 0.018 0.000 0.766 147 P CB 0.569 32.274 31.700 0.008 0.000 0.876 148 V N 0.135 120.071 119.914 0.037 0.000 2.320 148 V HA 0.391 4.516 4.120 0.008 0.000 0.257 148 V C 1.371 177.504 176.094 0.064 0.000 0.996 148 V CA -0.114 62.212 62.300 0.044 0.000 0.928 148 V CB 0.420 32.257 31.823 0.023 0.000 1.169 148 V HN -0.036 nan 8.190 nan 0.000 0.475 149 A N 1.804 124.683 122.820 0.099 0.000 2.081 149 A HA 0.760 5.085 4.320 0.008 0.000 0.214 149 A C 1.106 178.778 177.584 0.147 0.000 1.158 149 A CA 1.008 53.138 52.037 0.155 0.000 0.724 149 A CB 0.291 19.429 19.000 0.230 0.000 0.826 149 A HN 1.087 nan 8.150 nan 0.000 0.463 150 A N -0.386 122.528 122.820 0.158 0.000 2.574 150 A HA 0.648 4.973 4.320 0.008 0.000 0.297 150 A C -0.763 176.936 177.584 0.192 0.000 1.062 150 A CA -0.346 51.803 52.037 0.186 0.000 0.686 150 A CB 0.740 19.991 19.000 0.418 0.000 1.285 150 A HN 0.874 nan 8.150 nan 0.000 0.403 151 I N -1.587 119.100 120.570 0.196 0.000 2.865 151 I HA 0.978 5.153 4.170 0.008 0.000 0.302 151 I C -0.361 175.903 176.117 0.244 0.000 1.140 151 I CA -1.152 60.290 61.300 0.236 0.000 1.021 151 I CB 2.336 40.484 38.000 0.246 0.000 1.233 151 I HN 1.070 nan 8.210 nan 0.000 0.427 152 A N 2.696 125.592 122.820 0.126 0.000 2.486 152 A HA 0.730 5.055 4.320 0.008 0.000 0.300 152 A C -0.341 176.775 177.584 -0.780 0.000 1.048 152 A CA -0.447 51.377 52.037 -0.356 0.000 0.696 152 A CB 1.630 20.474 19.000 -0.261 0.000 1.278 152 A HN 0.974 nan 8.150 nan 0.000 0.405 153 S N 2.077 116.797 115.700 -1.634 0.000 2.593 153 S HA 0.425 4.900 4.470 0.008 0.000 0.269 153 S C -1.954 172.069 174.600 -0.961 0.000 1.334 153 S CA -0.671 56.257 58.200 -2.122 0.000 1.015 153 S CB 0.611 62.680 63.200 -1.886 0.000 0.912 153 S HN 0.398 nan 8.310 nan 0.000 0.541 154 P HA -0.096 nan 4.420 nan 0.000 0.217 154 P C 0.763 177.907 177.300 -0.261 0.000 1.150 154 P CA 1.305 64.215 63.100 -0.318 0.000 0.832 154 P CB -0.163 31.429 31.700 -0.180 0.000 0.787 155 D N -1.199 119.030 120.400 -0.285 0.000 2.352 155 D HA 0.030 4.675 4.640 0.008 0.000 0.232 155 D C 1.325 177.504 176.300 -0.201 0.000 1.055 155 D CA 0.594 54.480 54.000 -0.189 0.000 0.891 155 D CB -1.428 39.286 40.800 -0.142 0.000 0.897 155 D HN 0.169 nan 8.370 nan 0.000 0.529 156 G N 0.651 109.265 108.800 -0.310 0.000 2.269 156 G HA2 -0.432 3.533 3.960 0.008 0.000 0.277 156 G HA3 -0.432 3.533 3.960 0.008 0.000 0.277 156 G C 1.212 175.989 174.900 -0.205 0.000 1.008 156 G CA 0.821 45.754 45.100 -0.278 0.000 0.774 156 G HN 0.413 nan 8.290 nan 0.000 0.511 157 R N -0.020 120.318 120.500 -0.270 0.000 2.087 157 R HA 0.586 4.931 4.340 0.008 0.000 0.216 157 R C 1.695 177.959 176.300 -0.060 0.000 1.114 157 R CA 1.623 57.666 56.100 -0.095 0.000 1.002 157 R CB -0.030 30.224 30.300 -0.076 0.000 0.903 157 R HN 0.740 nan 8.270 nan 0.000 0.445 158 A N -0.922 121.692 122.820 -0.343 0.000 2.320 158 A HA 0.688 5.013 4.320 0.008 0.000 0.334 158 A C -1.401 175.858 177.584 -0.541 0.000 1.147 158 A CA -0.375 51.527 52.037 -0.225 0.000 0.820 158 A CB 0.704 19.655 19.000 -0.082 0.000 1.218 158 A HN 0.213 nan 8.150 nan 0.000 0.482 159 Y N -0.788 119.477 120.300 -0.058 0.000 2.562 159 Y HA 0.614 5.169 4.550 0.008 0.000 0.345 159 Y C 0.539 176.401 175.900 -0.064 0.000 1.045 159 Y CA -0.287 57.776 58.100 -0.062 0.000 1.028 159 Y CB 2.781 41.164 38.460 -0.129 0.000 1.297 159 Y HN 0.974 nan 8.280 nan 0.000 0.463 160 G N 0.586 109.466 108.800 0.134 0.000 2.620 160 G HA2 0.639 4.604 3.960 0.008 0.000 0.301 160 G HA3 0.639 4.604 3.960 0.008 0.000 0.301 160 G C -1.838 173.008 174.900 -0.089 0.000 1.347 160 G CA -0.955 44.136 45.100 -0.014 0.000 0.971 160 G HN 0.835 nan 8.290 nan 0.000 0.488 161 V N -0.306 119.449 119.914 -0.264 0.000 2.760 161 V HA 0.637 4.762 4.120 0.008 0.000 0.309 161 V C -0.011 175.774 176.094 -0.515 0.000 1.077 161 V CA -1.036 60.948 62.300 -0.526 0.000 0.910 161 V CB 1.918 33.123 31.823 -1.031 0.000 1.008 161 V HN 0.639 nan 8.190 nan 0.000 0.424 162 Q N 2.836 122.400 119.800 -0.394 0.000 2.225 162 Q HA 0.437 4.782 4.340 0.008 0.000 0.222 162 Q C -0.544 175.421 176.000 -0.058 0.000 0.887 162 Q CA 0.096 55.804 55.803 -0.158 0.000 0.958 162 Q CB -0.346 28.395 28.738 0.005 0.000 1.058 162 Q HN 0.847 nan 8.270 nan 0.000 0.459 163 F N -3.567 116.360 119.950 -0.038 0.000 2.692 163 F HA 0.539 5.072 4.527 0.010 0.000 0.320 163 F C -1.015 174.700 175.800 -0.140 0.000 1.123 163 F CA -1.655 56.329 58.000 -0.027 0.000 0.961 163 F CB 0.742 39.787 39.000 0.075 0.000 1.383 163 F HN -0.173 nan 8.300 nan 0.000 0.483 164 H N 2.019 121.314 119.070 0.374 0.000 2.741 164 H HA 0.325 4.886 4.556 0.008 0.000 0.282 164 H C -1.976 173.497 175.328 0.241 0.000 1.122 164 H CA -1.610 54.558 56.048 0.199 0.000 1.293 164 H CB 1.133 30.906 29.762 0.018 0.000 1.415 164 H HN 0.370 nan 8.280 nan 0.000 0.472 165 P HA -0.122 nan 4.420 nan 0.000 0.236 165 P C 0.949 178.299 177.300 0.083 0.000 1.177 165 P CA 0.717 63.953 63.100 0.228 0.000 0.773 165 P CB 0.655 32.488 31.700 0.222 0.000 0.878 166 E N 0.886 121.122 120.200 0.060 0.000 2.435 166 E HA 0.007 4.362 4.350 0.008 0.000 0.195 166 E C 0.879 177.420 176.600 -0.098 0.000 1.029 166 E CA 0.309 56.708 56.400 -0.003 0.000 0.865 166 E CB -0.768 28.951 29.700 0.031 0.000 0.833 166 E HN 0.151 nan 8.360 nan 0.000 0.510 167 V N -2.205 117.602 119.914 -0.178 0.000 2.716 167 V HA 0.652 4.777 4.120 0.008 0.000 0.304 167 V C 1.481 177.395 176.094 -0.301 0.000 1.053 167 V CA -0.177 61.913 62.300 -0.349 0.000 0.984 167 V CB 1.401 32.833 31.823 -0.651 0.000 1.021 167 V HN 0.047 nan 8.190 nan 0.000 0.467 168 A N 1.299 123.878 122.820 -0.401 0.000 1.978 168 A HA -0.165 4.160 4.320 0.008 0.000 0.220 168 A C 1.778 179.108 177.584 -0.424 0.000 1.170 168 A CA 1.828 53.623 52.037 -0.403 0.000 0.636 168 A CB -1.170 17.541 19.000 -0.481 0.000 0.810 168 A HN 1.049 nan 8.150 nan 0.000 0.448 169 H N -0.263 118.566 119.070 -0.402 0.000 2.560 169 H HA -0.025 4.536 4.556 0.008 0.000 0.283 169 H C -0.036 175.222 175.328 -0.116 0.000 1.028 169 H CA 1.424 57.263 56.048 -0.348 0.000 1.221 169 H CB -0.252 29.044 29.762 -0.777 0.000 1.363 169 H HN 0.323 nan 8.280 nan 0.000 0.594 170 T N 3.468 118.001 114.554 -0.036 0.000 3.332 170 T HA 0.102 4.457 4.350 0.008 0.000 0.385 170 T C -1.505 173.152 174.700 -0.071 0.000 1.695 170 T CA -1.282 60.801 62.100 -0.027 0.000 1.397 170 T CB 1.793 70.664 68.868 0.005 0.000 1.100 170 T HN 0.198 nan 8.240 nan 0.000 0.669 171 P HA -0.183 nan 4.420 nan 0.000 0.216 171 P C 0.737 177.998 177.300 -0.066 0.000 1.154 171 P CA 1.346 64.397 63.100 -0.082 0.000 0.865 171 P CB 0.292 31.950 31.700 -0.071 0.000 0.789 172 K N -0.543 119.820 120.400 -0.062 0.000 2.469 172 K HA 0.190 4.515 4.320 0.008 0.000 0.201 172 K C 2.040 178.620 176.600 -0.033 0.000 1.028 172 K CA 0.244 56.502 56.287 -0.048 0.000 1.170 172 K CB -0.424 32.044 32.500 -0.053 0.000 0.874 172 K HN 0.127 nan 8.250 nan 0.000 0.507 173 G N 1.108 109.891 108.800 -0.029 0.000 2.422 173 G HA2 -0.246 3.719 3.960 0.008 0.000 0.218 173 G HA3 -0.246 3.719 3.960 0.008 0.000 0.218 173 G C 1.380 176.286 174.900 0.009 0.000 1.140 173 G CA 0.439 45.547 45.100 0.013 0.000 0.775 173 G HN 0.173 nan 8.290 nan 0.000 0.545 174 M N 0.006 119.599 119.600 -0.011 0.000 2.175 174 M HA 0.026 4.511 4.480 0.008 0.000 0.264 174 M C 2.414 178.710 176.300 -0.007 0.000 1.063 174 M CA 1.367 56.661 55.300 -0.008 0.000 1.119 174 M CB -0.267 32.323 32.600 -0.017 0.000 1.377 174 M HN 0.285 nan 8.290 nan 0.000 0.415 175 Q N -0.086 119.706 119.800 -0.013 0.000 2.224 175 Q HA -0.022 4.323 4.340 0.008 0.000 0.203 175 Q C 1.693 177.676 176.000 -0.027 0.000 0.970 175 Q CA 1.605 57.398 55.803 -0.017 0.000 0.865 175 Q CB -0.370 28.358 28.738 -0.017 0.000 0.922 175 Q HN 0.643 nan 8.270 nan 0.000 0.445 176 I N -0.559 119.994 120.570 -0.028 0.000 2.233 176 I HA -0.244 3.931 4.170 0.008 0.000 0.243 176 I C 1.864 177.954 176.117 -0.046 0.000 1.093 176 I CA 0.805 62.060 61.300 -0.074 0.000 1.380 176 I CB -0.188 37.790 38.000 -0.036 0.000 1.067 176 I HN 0.206 nan 8.210 nan 0.000 0.413 177 L N 0.423 121.648 121.223 0.003 0.000 2.131 177 L HA -0.213 4.132 4.340 0.008 0.000 0.210 177 L C 2.537 179.449 176.870 0.069 0.000 1.092 177 L CA 1.124 55.996 54.840 0.054 0.000 0.759 177 L CB -0.480 41.606 42.059 0.046 0.000 0.903 177 L HN 0.267 nan 8.230 nan 0.000 0.435 178 E N 0.573 120.784 120.200 0.018 0.000 2.107 178 E HA -0.179 4.176 4.350 0.008 0.000 0.191 178 E C 1.887 178.474 176.600 -0.021 0.000 0.982 178 E CA 1.219 57.619 56.400 0.000 0.000 0.809 178 E CB -0.049 29.647 29.700 -0.008 0.000 0.756 178 E HN 0.315 nan 8.360 nan 0.000 0.459 179 N N -0.159 118.519 118.700 -0.036 0.000 2.223 179 N HA -0.143 4.602 4.740 0.008 0.000 0.185 179 N C 1.529 176.994 175.510 -0.075 0.000 1.016 179 N CA 1.067 54.075 53.050 -0.071 0.000 0.863 179 N CB -0.466 37.950 38.487 -0.120 0.000 0.983 179 N HN 0.249 nan 8.380 nan 0.000 0.429 180 F N 1.870 121.700 119.950 -0.200 0.000 2.113 180 F HA 0.040 4.571 4.527 0.006 0.000 0.297 180 F C 2.059 177.796 175.800 -0.104 0.000 1.103 180 F CA 0.865 58.742 58.000 -0.205 0.000 1.248 180 F CB -0.504 38.384 39.000 -0.187 0.000 0.999 180 F HN -0.102 nan 8.300 nan 0.000 0.475 181 L N 0.003 121.075 121.223 -0.250 0.000 2.079 181 L HA -0.213 4.132 4.340 0.008 0.000 0.210 181 L C 2.383 179.109 176.870 -0.240 0.000 1.081 181 L CA 1.710 56.370 54.840 -0.299 0.000 0.752 181 L CB -0.808 41.186 42.059 -0.107 0.000 0.896 181 L HN 0.219 nan 8.230 nan 0.000 0.433 182 E N 0.085 120.191 120.200 -0.158 0.000 2.072 182 E HA -0.182 4.173 4.350 0.008 0.000 0.191 182 E C 2.371 178.894 176.600 -0.128 0.000 0.985 182 E CA 0.906 57.239 56.400 -0.112 0.000 0.801 182 E CB -0.015 29.642 29.700 -0.071 0.000 0.750 182 E HN 0.446 nan 8.360 nan 0.000 0.452 183 L N 0.381 121.506 121.223 -0.163 0.000 2.005 183 L HA -0.128 4.217 4.340 0.008 0.000 0.207 183 L C 2.431 179.209 176.870 -0.154 0.000 1.072 183 L CA 1.008 55.775 54.840 -0.120 0.000 0.744 183 L CB -0.420 41.589 42.059 -0.083 0.000 0.895 183 L HN 0.115 nan 8.230 nan 0.000 0.433 184 A N 0.024 122.645 122.820 -0.331 0.000 2.248 184 A HA 0.098 4.423 4.320 0.008 0.000 0.210 184 A C 1.671 179.139 177.584 -0.192 0.000 1.174 184 A CA 0.767 52.613 52.037 -0.318 0.000 0.750 184 A CB -1.070 17.547 19.000 -0.639 0.000 0.780 184 A HN 0.596 nan 8.150 nan 0.000 0.478 185 G N -0.750 107.957 108.800 -0.155 0.000 2.341 185 G HA2 -0.200 3.765 3.960 0.008 0.000 0.292 185 G HA3 -0.200 3.765 3.960 0.008 0.000 0.292 185 G C 0.157 175.005 174.900 -0.086 0.000 1.021 185 G CA 0.331 45.375 45.100 -0.094 0.000 0.905 185 G HN 0.749 nan 8.290 nan 0.000 0.508 186 V N 0.835 120.678 119.914 -0.119 0.000 2.572 186 V HA 0.215 4.340 4.120 0.008 0.000 0.291 186 V C 0.962 177.032 176.094 -0.039 0.000 1.039 186 V CA -0.195 62.056 62.300 -0.081 0.000 1.055 186 V CB 1.235 32.995 31.823 -0.106 0.000 0.969 186 V HN 0.288 nan 8.190 nan 0.000 0.482 187 K N 4.308 124.702 120.400 -0.010 0.000 2.185 187 K HA 0.363 4.688 4.320 0.008 0.000 0.271 187 K C 0.077 176.693 176.600 0.026 0.000 1.013 187 K CA -0.626 55.666 56.287 0.007 0.000 0.943 187 K CB 0.765 33.275 32.500 0.017 0.000 0.998 187 K HN 0.397 nan 8.250 nan 0.000 0.468 188 R N 2.713 123.232 120.500 0.031 0.000 3.171 188 R HA 0.131 4.476 4.340 0.008 0.000 0.241 188 R C -0.196 176.139 176.300 0.057 0.000 1.421 188 R CA -0.156 55.977 56.100 0.055 0.000 1.444 188 R CB -0.287 30.040 30.300 0.044 0.000 1.247 188 R HN 0.489 nan 8.270 nan 0.000 0.636 189 D N -0.364 120.073 120.400 0.061 0.000 2.350 189 D HA -0.086 4.559 4.640 0.008 0.000 0.213 189 D C 0.004 176.281 176.300 -0.038 0.000 1.031 189 D CA 0.191 54.185 54.000 -0.011 0.000 0.861 189 D CB 0.482 41.252 40.800 -0.050 0.000 0.926 189 D HN 0.446 nan 8.370 nan 0.000 0.520 190 W N 4.101 125.336 121.300 -0.108 0.000 2.072 190 W HA 0.126 4.792 4.660 0.011 0.000 0.413 190 W C -0.478 176.020 176.519 -0.035 0.000 0.865 190 W CA -0.059 57.243 57.345 -0.072 0.000 1.579 190 W CB 0.141 29.637 29.460 0.061 0.000 1.720 190 W HN -0.202 nan 8.180 nan 0.000 0.301 191 T N 1.880 116.251 114.554 -0.305 0.000 2.907 191 T HA 0.384 4.739 4.350 0.008 0.000 0.292 191 T C -1.435 173.039 174.700 -0.376 0.000 1.043 191 T CA -1.745 60.191 62.100 -0.274 0.000 1.003 191 T CB 2.306 71.111 68.868 -0.105 0.000 1.084 191 T HN 0.085 nan 8.240 nan 0.000 0.483 192 P HA -0.161 nan 4.420 nan 0.000 0.216 192 P C 0.830 178.029 177.300 -0.168 0.000 1.150 192 P CA 1.444 64.383 63.100 -0.269 0.000 0.837 192 P CB 0.223 31.811 31.700 -0.186 0.000 0.786 193 E N -0.562 119.575 120.200 -0.104 0.000 2.038 193 E HA -0.235 4.120 4.350 0.008 0.000 0.195 193 E C 2.383 178.954 176.600 -0.047 0.000 1.000 193 E CA 1.133 57.494 56.400 -0.064 0.000 0.803 193 E CB -1.641 28.035 29.700 -0.041 0.000 0.750 193 E HN 0.401 nan 8.360 nan 0.000 0.448 194 H N 1.241 120.230 119.070 -0.135 0.000 2.289 194 H HA -0.127 4.434 4.556 0.008 0.000 0.296 194 H C 2.047 177.288 175.328 -0.145 0.000 1.091 194 H CA 2.004 57.980 56.048 -0.119 0.000 1.274 194 H CB -0.391 29.307 29.762 -0.107 0.000 1.364 194 H HN 0.090 nan 8.280 nan 0.000 0.490 195 V N 1.440 121.382 119.914 0.045 0.000 2.287 195 V HA -0.264 3.861 4.120 0.008 0.000 0.248 195 V C 3.043 179.104 176.094 -0.055 0.000 1.053 195 V CA 1.748 64.012 62.300 -0.059 0.000 1.027 195 V CB -0.941 30.659 31.823 -0.371 0.000 0.646 195 V HN 0.298 nan 8.190 nan 0.000 0.447 196 L N 0.396 121.573 121.223 -0.077 0.000 2.042 196 L HA -0.193 4.152 4.340 0.008 0.000 0.210 196 L C 2.414 179.255 176.870 -0.049 0.000 1.076 196 L CA 1.984 56.797 54.840 -0.044 0.000 0.749 196 L CB -0.825 41.203 42.059 -0.050 0.000 0.893 196 L HN 0.406 nan 8.230 nan 0.000 0.432 197 E N -0.818 119.332 120.200 -0.083 0.000 2.118 197 E HA -0.281 4.074 4.350 0.008 0.000 0.195 197 E C 1.981 178.517 176.600 -0.106 0.000 0.992 197 E CA 1.244 57.583 56.400 -0.101 0.000 0.804 197 E CB -0.038 29.575 29.700 -0.145 0.000 0.741 197 E HN 0.540 nan 8.360 nan 0.000 0.458 198 E N 1.167 121.295 120.200 -0.120 0.000 2.007 198 E HA -0.146 4.209 4.350 0.008 0.000 0.194 198 E C 2.034 178.609 176.600 -0.042 0.000 0.999 198 E CA 0.999 57.345 56.400 -0.090 0.000 0.811 198 E CB -0.266 29.403 29.700 -0.051 0.000 0.762 198 E HN 0.141 nan 8.360 nan 0.000 0.450 199 L N 0.291 121.508 121.223 -0.009 0.000 2.081 199 L HA -0.236 4.109 4.340 0.008 0.000 0.212 199 L C 2.605 179.463 176.870 -0.020 0.000 1.080 199 L CA 1.034 55.879 54.840 0.009 0.000 0.754 199 L CB -0.577 41.530 42.059 0.080 0.000 0.893 199 L HN 0.242 nan 8.230 nan 0.000 0.433 200 L N -0.729 120.480 121.223 -0.024 0.000 2.046 200 L HA -0.210 4.135 4.340 0.008 0.000 0.208 200 L C 2.857 179.702 176.870 -0.042 0.000 1.077 200 L CA 1.159 55.979 54.840 -0.033 0.000 0.747 200 L CB -0.427 41.613 42.059 -0.031 0.000 0.896 200 L HN 0.239 nan 8.230 nan 0.000 0.432 201 R N 0.353 120.826 120.500 -0.046 0.000 2.070 201 R HA -0.177 4.168 4.340 0.008 0.000 0.232 201 R C 2.212 178.483 176.300 -0.047 0.000 1.138 201 R CA 1.690 57.762 56.100 -0.046 0.000 0.936 201 R CB -0.097 30.172 30.300 -0.052 0.000 0.839 201 R HN 0.321 nan 8.270 nan 0.000 0.429 202 E N -0.429 119.742 120.200 -0.048 0.000 2.033 202 E HA -0.227 4.128 4.350 0.008 0.000 0.199 202 E C 1.982 178.531 176.600 -0.085 0.000 1.011 202 E CA 1.918 58.285 56.400 -0.055 0.000 0.815 202 E CB -0.133 29.541 29.700 -0.044 0.000 0.755 202 E HN 0.158 nan 8.360 nan 0.000 0.451 203 V N 1.044 120.899 119.914 -0.099 0.000 2.332 203 V HA -0.291 3.834 4.120 0.008 0.000 0.248 203 V C 2.274 178.292 176.094 -0.127 0.000 1.055 203 V CA 1.922 64.137 62.300 -0.141 0.000 1.038 203 V CB -0.514 31.230 31.823 -0.132 0.000 0.651 203 V HN 0.205 nan 8.190 nan 0.000 0.450 204 R N -0.203 120.249 120.500 -0.079 0.000 2.070 204 R HA -0.165 4.180 4.340 0.008 0.000 0.233 204 R C 2.404 178.674 176.300 -0.050 0.000 1.137 204 R CA 1.905 57.973 56.100 -0.054 0.000 0.945 204 R CB -0.355 29.925 30.300 -0.034 0.000 0.845 204 R HN 0.611 nan 8.270 nan 0.000 0.430 205 E N -0.078 120.094 120.200 -0.047 0.000 2.058 205 E HA -0.245 4.110 4.350 0.008 0.000 0.194 205 E C 2.113 178.691 176.600 -0.036 0.000 0.997 205 E CA 1.080 57.462 56.400 -0.030 0.000 0.801 205 E CB -0.075 29.611 29.700 -0.024 0.000 0.746 205 E HN 0.070 nan 8.360 nan 0.000 0.450 206 R N 1.030 121.477 120.500 -0.088 0.000 2.082 206 R HA -0.138 4.207 4.340 0.008 0.000 0.234 206 R C 2.052 178.219 176.300 -0.221 0.000 1.136 206 R CA 1.999 58.015 56.100 -0.141 0.000 0.935 206 R CB -0.726 29.431 30.300 -0.239 0.000 0.842 206 R HN 0.163 nan 8.270 nan 0.000 0.430 207 A N -0.768 121.830 122.820 -0.369 0.000 2.016 207 A HA 0.232 4.557 4.320 0.008 0.000 0.217 207 A C 1.625 179.256 177.584 0.079 0.000 1.162 207 A CA 1.224 53.082 52.037 -0.299 0.000 0.662 207 A CB -1.030 17.789 19.000 -0.301 0.000 0.812 207 A HN 0.663 nan 8.150 nan 0.000 0.450 208 G N 0.171 108.988 108.800 0.028 0.000 2.634 208 G HA2 -0.388 3.577 3.960 0.008 0.000 0.309 208 G HA3 -0.388 3.577 3.960 0.008 0.000 0.309 208 G C 0.824 175.772 174.900 0.078 0.000 1.265 208 G CA 0.714 45.850 45.100 0.061 0.000 0.998 208 G HN 0.387 nan 8.290 nan 0.000 0.551 209 K N 1.958 122.411 120.400 0.088 0.000 2.400 209 K HA 0.136 4.461 4.320 0.008 0.000 0.194 209 K C 0.844 177.507 176.600 0.105 0.000 1.033 209 K CA 0.544 56.878 56.287 0.078 0.000 1.021 209 K CB -0.165 32.368 32.500 0.055 0.000 0.808 209 K HN 0.577 nan 8.250 nan 0.000 0.505 210 D N 1.574 122.071 120.400 0.161 0.000 2.352 210 D HA 0.021 4.666 4.640 0.008 0.000 0.238 210 D C 0.468 176.904 176.300 0.227 0.000 1.286 210 D CA 0.236 54.354 54.000 0.197 0.000 0.923 210 D CB 0.760 41.745 40.800 0.309 0.000 1.146 210 D HN -0.205 nan 8.370 nan 0.000 0.471 211 R N 0.178 120.823 120.500 0.240 0.000 2.368 211 R HA 0.389 4.734 4.340 0.008 0.000 0.302 211 R C -0.590 176.001 176.300 0.486 0.000 1.002 211 R CA -0.683 55.604 56.100 0.310 0.000 0.929 211 R CB 1.479 31.897 30.300 0.196 0.000 1.073 211 R HN 0.273 nan 8.270 nan 0.000 0.464 212 V N 1.236 121.412 119.914 0.437 0.000 2.448 212 V HA 0.532 4.657 4.120 0.008 0.000 0.295 212 V C -0.503 175.698 176.094 0.178 0.000 1.025 212 V CA -1.134 61.374 62.300 0.347 0.000 0.859 212 V CB 1.568 33.517 31.823 0.209 0.000 0.988 212 V HN 0.536 nan 8.190 nan 0.000 0.431 213 L N 6.420 127.618 121.223 -0.043 0.000 2.344 213 L HA 0.952 5.297 4.340 0.008 0.000 0.272 213 L C -0.805 175.980 176.870 -0.142 0.000 1.035 213 L CA -0.412 54.176 54.840 -0.420 0.000 0.807 213 L CB 1.627 43.118 42.059 -0.948 0.000 1.237 213 L HN 1.009 nan 8.230 nan 0.000 0.442 214 L N 2.104 123.311 121.223 -0.027 0.000 2.731 214 L HA 0.758 5.103 4.340 0.008 0.000 0.256 214 L C -1.573 175.404 176.870 0.178 0.000 0.947 214 L CA -0.734 54.155 54.840 0.081 0.000 0.914 214 L CB 0.674 42.744 42.059 0.019 0.000 1.470 214 L HN 0.782 nan 8.230 nan 0.000 0.421 215 A N 2.339 125.203 122.820 0.074 0.000 2.306 215 A HA 0.821 5.146 4.320 0.008 0.000 0.314 215 A C -0.059 177.561 177.584 0.060 0.000 1.164 215 A CA -0.062 52.004 52.037 0.049 0.000 0.822 215 A CB 1.274 20.135 19.000 -0.232 0.000 1.130 215 A HN 1.694 nan 8.150 nan 0.000 0.496 216 V N 1.156 121.152 119.914 0.137 0.000 2.448 216 V HA 0.666 4.791 4.120 0.008 0.000 0.295 216 V C 0.508 176.712 176.094 0.183 0.000 1.025 216 V CA 0.280 62.690 62.300 0.184 0.000 0.859 216 V CB 0.905 32.885 31.823 0.261 0.000 0.988 216 V HN 1.154 nan 8.190 nan 0.000 0.431 217 S N 1.964 117.724 115.700 0.100 0.000 2.512 217 S HA 0.514 4.989 4.470 0.008 0.000 0.216 217 S C 1.478 176.213 174.600 0.225 0.000 1.006 217 S CA 0.695 58.880 58.200 -0.025 0.000 0.915 217 S CB 0.675 63.834 63.200 -0.068 0.000 0.824 217 S HN 2.407 nan 8.310 nan 0.000 0.497 218 G N 0.606 109.602 108.800 0.326 0.000 2.253 218 G HA2 -0.046 3.919 3.960 0.008 0.000 0.209 218 G HA3 -0.046 3.919 3.960 0.008 0.000 0.209 218 G C 0.451 175.435 174.900 0.141 0.000 0.997 218 G CA -0.299 44.958 45.100 0.261 0.000 0.640 218 G HN 1.025 nan 8.290 nan 0.000 0.496 219 G N -0.212 108.671 108.800 0.137 0.000 2.527 219 G HA2 0.520 4.485 3.960 0.008 0.000 0.248 219 G HA3 0.520 4.485 3.960 0.008 0.000 0.248 219 G C 1.271 176.230 174.900 0.098 0.000 1.231 219 G CA 0.605 45.775 45.100 0.117 0.000 0.838 219 G HN 1.011 nan 8.290 nan 0.000 0.570 220 V N 0.983 120.948 119.914 0.085 0.000 2.469 220 V HA -0.154 3.971 4.120 0.008 0.000 0.251 220 V C 2.255 178.397 176.094 0.080 0.000 1.064 220 V CA 2.777 65.117 62.300 0.066 0.000 1.066 220 V CB -0.369 31.483 31.823 0.048 0.000 0.667 220 V HN 0.849 nan 8.190 nan 0.000 0.461 221 D N 0.320 120.780 120.400 0.099 0.000 2.088 221 D HA -0.167 4.478 4.640 0.008 0.000 0.191 221 D C 2.404 178.827 176.300 0.205 0.000 0.992 221 D CA 2.220 56.310 54.000 0.150 0.000 0.831 221 D CB -0.337 40.549 40.800 0.142 0.000 0.973 221 D HN 0.644 nan 8.370 nan 0.000 0.447 222 S N -0.690 115.094 115.700 0.141 0.000 2.399 222 S HA -0.087 4.388 4.470 0.008 0.000 0.231 222 S C 2.227 176.897 174.600 0.116 0.000 1.022 222 S CA 1.336 59.606 58.200 0.117 0.000 0.983 222 S CB -0.331 62.918 63.200 0.082 0.000 0.803 222 S HN 0.108 nan 8.310 nan 0.000 0.480 223 S N 1.680 117.447 115.700 0.112 0.000 2.368 223 S HA -0.055 4.420 4.470 0.008 0.000 0.224 223 S C 2.046 176.698 174.600 0.088 0.000 1.029 223 S CA 1.621 59.871 58.200 0.084 0.000 0.988 223 S CB -0.820 62.417 63.200 0.062 0.000 0.838 223 S HN 0.733 nan 8.310 nan 0.000 0.462 224 T N 2.487 117.118 114.554 0.128 0.000 2.867 224 T HA 0.026 4.381 4.350 0.008 0.000 0.268 224 T C 1.707 176.567 174.700 0.266 0.000 1.057 224 T CA 0.668 62.863 62.100 0.159 0.000 1.136 224 T CB -0.299 68.630 68.868 0.101 0.000 0.874 224 T HN 0.140 nan 8.240 nan 0.000 0.466 225 L N 1.678 123.071 121.223 0.284 0.000 2.027 225 L HA 0.140 4.485 4.340 0.008 0.000 0.206 225 L C 2.629 179.483 176.870 -0.026 0.000 1.074 225 L CA 1.781 56.662 54.840 0.069 0.000 0.745 225 L CB -1.176 40.854 42.059 -0.048 0.000 0.898 225 L HN 0.214 nan 8.230 nan 0.000 0.433 226 A N -0.775 122.039 122.820 -0.010 0.000 1.908 226 A HA -0.190 4.135 4.320 0.008 0.000 0.218 226 A C 2.139 179.644 177.584 -0.132 0.000 1.181 226 A CA 1.979 53.965 52.037 -0.085 0.000 0.627 226 A CB -0.874 18.120 19.000 -0.010 0.000 0.818 226 A HN 0.418 nan 8.150 nan 0.000 0.445 227 L N -1.054 120.146 121.223 -0.040 0.000 2.046 227 L HA -0.122 4.223 4.340 0.008 0.000 0.208 227 L C 2.392 179.238 176.870 -0.041 0.000 1.077 227 L CA 1.595 56.415 54.840 -0.033 0.000 0.747 227 L CB -1.060 41.004 42.059 0.008 0.000 0.896 227 L HN 0.465 nan 8.230 nan 0.000 0.432 228 L N -0.971 120.248 121.223 -0.005 0.000 1.994 228 L HA -0.205 4.140 4.340 0.008 0.000 0.208 228 L C 2.356 179.181 176.870 -0.075 0.000 1.071 228 L CA 1.741 56.578 54.840 -0.004 0.000 0.745 228 L CB -0.523 41.566 42.059 0.050 0.000 0.892 228 L HN 0.164 nan 8.230 nan 0.000 0.431 229 L N -0.610 120.525 121.223 -0.146 0.000 1.989 229 L HA -0.218 4.127 4.340 0.008 0.000 0.211 229 L C 2.696 179.456 176.870 -0.184 0.000 1.071 229 L CA 1.403 56.132 54.840 -0.185 0.000 0.749 229 L CB -1.134 40.759 42.059 -0.275 0.000 0.890 229 L HN 0.383 nan 8.230 nan 0.000 0.431 230 A N 0.113 122.751 122.820 -0.303 0.000 1.978 230 A HA -0.259 4.066 4.320 0.008 0.000 0.220 230 A C 2.308 179.880 177.584 -0.020 0.000 1.170 230 A CA 2.071 54.031 52.037 -0.128 0.000 0.636 230 A CB -0.419 18.519 19.000 -0.103 0.000 0.810 230 A HN 0.293 nan 8.150 nan 0.000 0.448 231 K N -0.139 120.238 120.400 -0.038 0.000 2.288 231 K HA 0.155 4.480 4.320 0.008 0.000 0.201 231 K C 1.578 178.172 176.600 -0.010 0.000 1.048 231 K CA 1.196 57.474 56.287 -0.015 0.000 0.956 231 K CB -0.283 32.208 32.500 -0.016 0.000 0.746 231 K HN 0.318 nan 8.250 nan 0.000 0.461 232 A N -0.582 122.228 122.820 -0.018 0.000 2.218 232 A HA 0.310 4.635 4.320 0.008 0.000 0.209 232 A C 1.523 179.113 177.584 0.010 0.000 1.168 232 A CA 0.608 52.638 52.037 -0.012 0.000 0.804 232 A CB -0.439 18.543 19.000 -0.029 0.000 0.834 232 A HN 0.471 nan 8.150 nan 0.000 0.482 233 G N -1.186 107.634 108.800 0.032 0.000 2.179 233 G HA2 -0.246 3.719 3.960 0.008 0.000 0.260 233 G HA3 -0.246 3.719 3.960 0.008 0.000 0.260 233 G C 0.371 175.323 174.900 0.086 0.000 0.977 233 G CA 0.217 45.352 45.100 0.058 0.000 0.641 233 G HN 0.829 nan 8.290 nan 0.000 0.533 234 V N 1.568 121.532 119.914 0.084 0.000 2.788 234 V HA 0.197 4.322 4.120 0.008 0.000 0.307 234 V C 0.936 177.155 176.094 0.208 0.000 1.069 234 V CA 0.209 62.573 62.300 0.107 0.000 1.173 234 V CB 1.230 33.089 31.823 0.059 0.000 0.925 234 V HN 0.406 nan 8.190 nan 0.000 0.492 235 D N 4.593 125.091 120.400 0.163 0.000 2.339 235 D HA 0.163 4.808 4.640 0.008 0.000 0.256 235 D C -0.151 176.277 176.300 0.213 0.000 1.214 235 D CA 0.089 54.173 54.000 0.141 0.000 0.877 235 D CB 0.201 41.063 40.800 0.103 0.000 1.111 235 D HN 0.860 nan 8.370 nan 0.000 0.478 236 H N 1.847 120.989 119.070 0.120 0.000 2.949 236 H HA 0.633 5.194 4.556 0.008 0.000 0.356 236 H C -1.729 173.681 175.328 0.137 0.000 1.212 236 H CA -1.203 54.921 56.048 0.128 0.000 1.136 236 H CB 1.404 31.206 29.762 0.067 0.000 1.869 236 H HN 0.249 nan 8.280 nan 0.000 0.556 237 L N 1.646 122.957 121.223 0.147 0.000 2.504 237 L HA 0.616 4.961 4.340 0.008 0.000 0.265 237 L C -1.059 175.870 176.870 0.098 0.000 0.975 237 L CA -0.247 54.640 54.840 0.078 0.000 0.864 237 L CB 1.192 43.319 42.059 0.113 0.000 1.212 237 L HN 0.925 nan 8.230 nan 0.000 0.416 238 A N 4.817 127.753 122.820 0.193 0.000 2.320 238 A HA 0.704 5.029 4.320 0.008 0.000 0.287 238 A C -0.713 176.977 177.584 0.177 0.000 1.181 238 A CA -0.398 51.749 52.037 0.184 0.000 0.831 238 A CB 0.646 19.767 19.000 0.200 0.000 1.102 238 A HN 0.511 nan 8.150 nan 0.000 0.513 239 V N 3.179 123.226 119.914 0.221 0.000 2.370 239 V HA 0.329 4.454 4.120 0.008 0.000 0.283 239 V C -0.749 175.527 176.094 0.304 0.000 1.023 239 V CA -0.211 62.244 62.300 0.257 0.000 0.857 239 V CB 0.969 32.971 31.823 0.298 0.000 0.985 239 V HN 0.760 nan 8.190 nan 0.000 0.443 240 F N 5.558 125.575 119.950 0.112 0.000 2.308 240 F HA 0.542 5.074 4.527 0.008 0.000 0.370 240 F C 0.020 175.859 175.800 0.065 0.000 1.100 240 F CA -0.538 57.506 58.000 0.073 0.000 1.108 240 F CB 1.182 40.202 39.000 0.033 0.000 1.293 240 F HN 0.279 nan 8.300 nan 0.000 0.478 241 V N 5.444 125.251 119.914 -0.178 0.000 2.372 241 V HA 0.057 4.182 4.120 0.008 0.000 0.261 241 V C 0.010 175.841 176.094 -0.437 0.000 1.055 241 V CA -0.461 61.767 62.300 -0.120 0.000 0.930 241 V CB 0.658 32.540 31.823 0.097 0.000 1.031 241 V HN 0.530 nan 8.190 nan 0.000 0.479 242 D N 4.434 124.702 120.400 -0.220 0.000 2.435 242 D HA 0.055 4.700 4.640 0.008 0.000 0.230 242 D C 1.448 177.626 176.300 -0.205 0.000 1.215 242 D CA -0.233 53.630 54.000 -0.229 0.000 0.947 242 D CB 0.295 41.132 40.800 0.062 0.000 1.048 242 D HN 0.804 nan 8.370 nan 0.000 0.512 243 H N 1.807 120.640 119.070 -0.395 0.000 2.556 243 H HA 0.176 4.737 4.556 0.008 0.000 0.268 243 H C 1.253 176.416 175.328 -0.276 0.000 0.996 243 H CA 0.155 55.765 56.048 -0.729 0.000 1.157 243 H CB 0.162 29.021 29.762 -1.506 0.000 1.355 243 H HN 0.474 nan 8.280 nan 0.000 0.597 244 G N 1.541 110.431 108.800 0.150 0.000 2.153 244 G HA2 -0.296 3.669 3.960 0.008 0.000 0.252 244 G HA3 -0.296 3.669 3.960 0.008 0.000 0.252 244 G C 0.561 175.540 174.900 0.132 0.000 0.994 244 G CA 0.539 45.720 45.100 0.136 0.000 0.698 244 G HN 0.519 nan 8.290 nan 0.000 0.521 245 L N -0.406 120.944 121.223 0.211 0.000 2.910 245 L HA 0.459 4.804 4.340 0.008 0.000 0.252 245 L C 1.229 178.239 176.870 0.234 0.000 1.195 245 L CA -0.397 54.453 54.840 0.016 0.000 1.003 245 L CB 0.113 41.912 42.059 -0.434 0.000 1.328 245 L HN 0.131 nan 8.230 nan 0.000 0.540 246 L N -0.168 121.230 121.223 0.292 0.000 2.469 246 L HA 0.375 4.720 4.340 0.008 0.000 0.253 246 L C 0.773 177.675 176.870 0.054 0.000 1.143 246 L CA -0.655 54.317 54.840 0.220 0.000 0.804 246 L CB 0.560 42.698 42.059 0.131 0.000 1.214 246 L HN 0.139 nan 8.230 nan 0.000 0.476 247 R N 0.185 120.573 120.500 -0.187 0.000 2.679 247 R HA 0.216 4.561 4.340 0.008 0.000 0.269 247 R C -0.585 175.674 176.300 -0.068 0.000 1.076 247 R CA -0.879 55.128 56.100 -0.156 0.000 1.160 247 R CB 0.248 30.358 30.300 -0.317 0.000 1.054 247 R HN 0.233 nan 8.270 nan 0.000 0.507 248 L N 1.980 123.181 121.223 -0.037 0.000 2.601 248 L HA -0.005 4.340 4.340 0.008 0.000 0.277 248 L C 1.191 178.041 176.870 -0.033 0.000 1.219 248 L CA 1.912 56.740 54.840 -0.020 0.000 0.915 248 L CB 0.096 42.148 42.059 -0.012 0.000 1.160 248 L HN 0.912 nan 8.230 nan 0.000 0.494 249 G N 2.774 111.562 108.800 -0.020 0.000 2.180 249 G HA2 -0.414 3.551 3.960 0.008 0.000 0.263 249 G HA3 -0.414 3.551 3.960 0.008 0.000 0.263 249 G C 1.018 175.893 174.900 -0.040 0.000 0.989 249 G CA 0.945 46.029 45.100 -0.027 0.000 0.692 249 G HN 0.809 nan 8.290 nan 0.000 0.526 250 E N 0.039 120.216 120.200 -0.038 0.000 2.072 250 E HA -0.127 4.228 4.350 0.008 0.000 0.191 250 E C 2.373 178.961 176.600 -0.020 0.000 0.985 250 E CA 1.174 57.550 56.400 -0.041 0.000 0.801 250 E CB -0.199 29.465 29.700 -0.060 0.000 0.750 250 E HN 0.617 nan 8.360 nan 0.000 0.452 251 R N 0.553 121.075 120.500 0.036 0.000 2.091 251 R HA -0.195 4.150 4.340 0.008 0.000 0.238 251 R C 1.993 178.191 176.300 -0.171 0.000 1.136 251 R CA 1.991 58.080 56.100 -0.018 0.000 0.959 251 R CB -0.116 30.267 30.300 0.139 0.000 0.856 251 R HN 0.265 nan 8.270 nan 0.000 0.437 252 E N 0.066 120.211 120.200 -0.091 0.000 2.072 252 E HA -0.178 4.177 4.350 0.008 0.000 0.191 252 E C 1.942 178.472 176.600 -0.117 0.000 0.985 252 E CA 1.529 57.871 56.400 -0.096 0.000 0.801 252 E CB 0.049 29.717 29.700 -0.054 0.000 0.750 252 E HN 0.533 nan 8.360 nan 0.000 0.452 253 E N 0.403 120.537 120.200 -0.109 0.000 2.072 253 E HA -0.143 4.212 4.350 0.008 0.000 0.191 253 E C 2.242 178.761 176.600 -0.135 0.000 0.985 253 E CA 1.039 57.376 56.400 -0.105 0.000 0.801 253 E CB 0.024 29.670 29.700 -0.090 0.000 0.750 253 E HN 0.063 nan 8.360 nan 0.000 0.452 254 V N 2.409 122.206 119.914 -0.195 0.000 2.270 254 V HA -0.284 3.841 4.120 0.008 0.000 0.245 254 V C 2.501 178.424 176.094 -0.285 0.000 1.043 254 V CA 2.344 64.494 62.300 -0.250 0.000 1.014 254 V CB -0.707 30.887 31.823 -0.381 0.000 0.645 254 V HN 0.401 nan 8.190 nan 0.000 0.447 255 E N 0.874 120.853 120.200 -0.369 0.000 2.072 255 E HA -0.125 4.230 4.350 0.008 0.000 0.191 255 E C 2.302 178.815 176.600 -0.145 0.000 0.985 255 E CA 1.503 57.742 56.400 -0.269 0.000 0.801 255 E CB -0.878 28.664 29.700 -0.263 0.000 0.750 255 E HN 0.448 nan 8.360 nan 0.000 0.452 256 G N 1.371 110.096 108.800 -0.126 0.000 2.476 256 G HA2 -0.304 3.661 3.960 0.008 0.000 0.218 256 G HA3 -0.304 3.661 3.960 0.008 0.000 0.218 256 G C 1.797 176.657 174.900 -0.067 0.000 1.164 256 G CA 1.458 46.510 45.100 -0.080 0.000 0.768 256 G HN 0.466 nan 8.290 nan 0.000 0.560 257 A N 0.442 123.216 122.820 -0.076 0.000 1.873 257 A HA 0.152 4.477 4.320 0.008 0.000 0.215 257 A C 2.467 180.024 177.584 -0.045 0.000 1.186 257 A CA 1.256 53.259 52.037 -0.056 0.000 0.616 257 A CB -0.422 18.543 19.000 -0.059 0.000 0.823 257 A HN 0.338 nan 8.150 nan 0.000 0.442 258 L N -1.186 120.004 121.223 -0.056 0.000 2.046 258 L HA -0.185 4.160 4.340 0.008 0.000 0.208 258 L C 2.900 179.764 176.870 -0.010 0.000 1.077 258 L CA 1.495 56.317 54.840 -0.030 0.000 0.747 258 L CB -0.541 41.497 42.059 -0.036 0.000 0.896 258 L HN 0.381 nan 8.230 nan 0.000 0.432 259 R N -0.054 120.433 120.500 -0.022 0.000 2.075 259 R HA -0.087 4.258 4.340 0.008 0.000 0.232 259 R C 2.456 178.756 176.300 -0.001 0.000 1.126 259 R CA 1.244 57.342 56.100 -0.004 0.000 0.963 259 R CB -0.441 29.849 30.300 -0.016 0.000 0.858 259 R HN 0.317 nan 8.270 nan 0.000 0.435 260 A N 0.770 123.582 122.820 -0.014 0.000 1.978 260 A HA -0.140 4.185 4.320 0.008 0.000 0.220 260 A C 1.716 179.298 177.584 -0.005 0.000 1.170 260 A CA 1.255 53.285 52.037 -0.011 0.000 0.636 260 A CB -0.193 18.795 19.000 -0.020 0.000 0.810 260 A HN 0.110 nan 8.150 nan 0.000 0.448 261 L N -1.552 119.669 121.223 -0.003 0.000 2.591 261 L HA 0.270 4.615 4.340 0.008 0.000 0.228 261 L C 1.667 178.546 176.870 0.015 0.000 1.133 261 L CA 1.077 55.918 54.840 0.002 0.000 0.880 261 L CB -0.446 41.611 42.059 -0.004 0.000 1.033 261 L HN 0.652 nan 8.230 nan 0.000 0.450 262 G N -1.390 107.427 108.800 0.028 0.000 2.163 262 G HA2 -0.209 3.756 3.960 0.008 0.000 0.213 262 G HA3 -0.209 3.756 3.960 0.008 0.000 0.213 262 G C 0.239 175.203 174.900 0.107 0.000 0.991 262 G CA 0.034 45.166 45.100 0.054 0.000 0.653 262 G HN 0.070 nan 8.290 nan 0.000 0.518 263 V N 0.951 120.929 119.914 0.105 0.000 2.686 263 V HA 0.378 4.503 4.120 0.008 0.000 0.295 263 V C 0.853 177.091 176.094 0.241 0.000 1.055 263 V CA -0.041 62.386 62.300 0.213 0.000 1.050 263 V CB 1.554 33.447 31.823 0.117 0.000 0.984 263 V HN 0.417 nan 8.190 nan 0.000 0.482 264 N N 4.087 123.021 118.700 0.391 0.000 2.555 264 N HA 0.250 4.995 4.740 0.008 0.000 0.244 264 N C -0.966 174.598 175.510 0.089 0.000 1.114 264 N CA -0.221 52.846 53.050 0.029 0.000 0.963 264 N CB 0.237 38.492 38.487 -0.387 0.000 1.276 264 N HN 0.579 nan 8.380 nan 0.000 0.510 265 L N 3.436 124.707 121.223 0.080 0.000 2.317 265 L HA 0.654 4.999 4.340 0.008 0.000 0.281 265 L C -1.347 175.564 176.870 0.068 0.000 1.024 265 L CA -0.906 53.984 54.840 0.083 0.000 0.810 265 L CB 1.344 43.435 42.059 0.053 0.000 1.240 265 L HN 0.464 nan 8.230 nan 0.000 0.427 266 L N 5.998 127.279 121.223 0.096 0.000 2.376 266 L HA 0.664 5.008 4.340 0.008 0.000 0.275 266 L C -1.350 175.603 176.870 0.138 0.000 0.987 266 L CA -0.326 54.570 54.840 0.094 0.000 0.828 266 L CB 1.906 44.016 42.059 0.086 0.000 1.249 266 L HN 0.369 nan 8.230 nan 0.000 0.409 267 V N 5.698 125.688 119.914 0.127 0.000 2.427 267 V HA 0.516 4.641 4.120 0.008 0.000 0.286 267 V C -0.232 175.954 176.094 0.154 0.000 1.034 267 V CA -0.678 61.735 62.300 0.189 0.000 0.893 267 V CB 1.694 33.608 31.823 0.150 0.000 0.982 267 V HN 0.544 nan 8.190 nan 0.000 0.452 268 V N 3.767 123.781 119.914 0.167 0.000 2.370 268 V HA 0.306 4.431 4.120 0.008 0.000 0.279 268 V C 0.049 176.216 176.094 0.122 0.000 1.029 268 V CA -0.509 61.866 62.300 0.126 0.000 0.870 268 V CB 1.665 33.560 31.823 0.119 0.000 0.984 268 V HN 0.896 nan 8.190 nan 0.000 0.451 269 D N 4.793 125.260 120.400 0.112 0.000 2.422 269 D HA 0.386 5.031 4.640 0.008 0.000 0.227 269 D C 0.400 176.783 176.300 0.138 0.000 1.190 269 D CA -0.148 53.919 54.000 0.112 0.000 0.905 269 D CB 1.567 42.423 40.800 0.093 0.000 1.034 269 D HN 0.639 nan 8.370 nan 0.000 0.507 270 A N 4.336 127.266 122.820 0.183 0.000 2.637 270 A HA 0.134 4.459 4.320 0.008 0.000 0.293 270 A C 1.625 179.438 177.584 0.382 0.000 1.216 270 A CA -0.390 51.833 52.037 0.309 0.000 0.956 270 A CB 0.162 19.467 19.000 0.509 0.000 1.174 270 A HN 0.472 nan 8.150 nan 0.000 0.525 271 K N 0.409 120.943 120.400 0.224 0.000 1.978 271 K HA -0.212 4.113 4.320 0.008 0.000 0.214 271 K C 1.768 178.495 176.600 0.211 0.000 1.049 271 K CA 1.764 58.170 56.287 0.198 0.000 0.939 271 K CB -0.126 32.450 32.500 0.127 0.000 0.721 271 K HN 0.607 nan 8.250 nan 0.000 0.441 272 E N 1.233 121.527 120.200 0.156 0.000 2.160 272 E HA -0.250 4.105 4.350 0.008 0.000 0.195 272 E C 2.267 178.942 176.600 0.125 0.000 0.991 272 E CA 1.018 57.491 56.400 0.121 0.000 0.810 272 E CB 0.084 29.836 29.700 0.087 0.000 0.742 272 E HN 0.204 nan 8.360 nan 0.000 0.466 273 R N -0.471 120.120 120.500 0.151 0.000 2.070 273 R HA -0.147 4.198 4.340 0.008 0.000 0.232 273 R C 2.207 178.535 176.300 0.046 0.000 1.138 273 R CA 1.813 57.958 56.100 0.074 0.000 0.936 273 R CB -0.434 29.895 30.300 0.048 0.000 0.839 273 R HN 0.175 nan 8.270 nan 0.000 0.429 274 F N 0.662 120.656 119.950 0.072 0.000 2.161 274 F HA -0.221 4.310 4.527 0.008 0.000 0.300 274 F C 2.217 178.043 175.800 0.044 0.000 1.089 274 F CA 0.815 58.855 58.000 0.068 0.000 1.282 274 F CB -0.367 38.691 39.000 0.096 0.000 1.010 274 F HN 0.145 nan 8.300 nan 0.000 0.485 275 L N 0.586 121.945 121.223 0.227 0.000 2.017 275 L HA -0.206 4.139 4.340 0.008 0.000 0.208 275 L C 2.172 179.092 176.870 0.083 0.000 1.073 275 L CA 1.880 56.800 54.840 0.133 0.000 0.745 275 L CB -0.820 41.306 42.059 0.111 0.000 0.894 275 L HN -0.005 nan 8.230 nan 0.000 0.432 276 K N -0.791 119.648 120.400 0.066 0.000 2.032 276 K HA -0.154 4.171 4.320 0.008 0.000 0.209 276 K C 2.046 178.658 176.600 0.020 0.000 1.048 276 K CA 1.484 57.792 56.287 0.035 0.000 0.927 276 K CB -0.481 32.033 32.500 0.023 0.000 0.712 276 K HN 0.452 nan 8.250 nan 0.000 0.441 277 A N 1.123 123.944 122.820 0.001 0.000 2.032 277 A HA -0.146 4.179 4.320 0.008 0.000 0.221 277 A C 1.940 179.529 177.584 0.009 0.000 1.165 277 A CA 1.393 53.418 52.037 -0.019 0.000 0.645 277 A CB -0.498 18.453 19.000 -0.082 0.000 0.807 277 A HN 0.213 nan 8.150 nan 0.000 0.453 278 L N -0.992 120.252 121.223 0.036 0.000 2.567 278 L HA 0.074 4.419 4.340 0.008 0.000 0.225 278 L C 0.835 177.725 176.870 0.034 0.000 1.119 278 L CA -0.242 54.622 54.840 0.041 0.000 0.871 278 L CB -0.096 41.999 42.059 0.059 0.000 1.036 278 L HN 0.101 nan 8.230 nan 0.000 0.459 279 K N 1.396 121.815 120.400 0.032 0.000 2.491 279 K HA 0.001 4.326 4.320 0.008 0.000 0.279 279 K C 1.149 177.763 176.600 0.024 0.000 1.026 279 K CA 1.101 57.406 56.287 0.029 0.000 1.070 279 K CB 0.393 32.909 32.500 0.027 0.000 0.887 279 K HN 0.315 nan 8.250 nan 0.000 0.481 280 G N 2.380 111.196 108.800 0.026 0.000 2.212 280 G HA2 -0.268 3.697 3.960 0.008 0.000 0.266 280 G HA3 -0.268 3.697 3.960 0.008 0.000 0.266 280 G C 0.102 175.015 174.900 0.022 0.000 0.978 280 G CA 0.338 45.452 45.100 0.023 0.000 0.632 280 G HN 0.492 nan 8.290 nan 0.000 0.537 281 V N 0.639 120.567 119.914 0.023 0.000 2.455 281 V HA 0.487 4.612 4.120 0.008 0.000 0.273 281 V C 1.155 177.263 176.094 0.023 0.000 1.045 281 V CA 0.703 63.015 62.300 0.021 0.000 0.976 281 V CB 1.473 33.308 31.823 0.021 0.000 0.993 281 V HN 0.327 nan 8.190 nan 0.000 0.475 282 E N 1.825 122.038 120.200 0.022 0.000 2.372 282 E HA 0.076 4.431 4.350 0.008 0.000 0.201 282 E C 0.511 177.125 176.600 0.023 0.000 0.938 282 E CA 0.004 56.419 56.400 0.025 0.000 0.944 282 E CB 0.165 29.881 29.700 0.025 0.000 0.937 282 E HN 0.850 nan 8.360 nan 0.000 0.495 283 D N 0.723 121.134 120.400 0.019 0.000 2.382 283 D HA 0.010 4.655 4.640 0.008 0.000 0.259 283 D C -1.789 174.521 176.300 0.016 0.000 1.224 283 D CA -1.538 52.471 54.000 0.016 0.000 0.894 283 D CB 1.286 42.094 40.800 0.013 0.000 1.127 283 D HN -0.154 nan 8.370 nan 0.000 0.487 284 P HA -0.185 nan 4.420 nan 0.000 0.215 284 P C 0.795 178.100 177.300 0.009 0.000 1.157 284 P CA 1.265 64.374 63.100 0.015 0.000 0.874 284 P CB 0.159 31.870 31.700 0.019 0.000 0.790 285 E N -0.787 119.418 120.200 0.008 0.000 2.153 285 E HA -0.226 4.129 4.350 0.008 0.000 0.194 285 E C 1.991 178.597 176.600 0.009 0.000 0.988 285 E CA 0.928 57.332 56.400 0.007 0.000 0.811 285 E CB -0.238 29.465 29.700 0.005 0.000 0.746 285 E HN 0.250 nan 8.360 nan 0.000 0.466 286 E N 1.487 121.693 120.200 0.011 0.000 2.107 286 E HA -0.137 4.218 4.350 0.008 0.000 0.191 286 E C 1.663 178.273 176.600 0.016 0.000 0.982 286 E CA 1.198 57.605 56.400 0.013 0.000 0.809 286 E CB 0.113 29.821 29.700 0.013 0.000 0.756 286 E HN 0.071 nan 8.360 nan 0.000 0.459 287 K N -0.064 120.345 120.400 0.015 0.000 2.009 287 K HA -0.114 4.211 4.320 0.008 0.000 0.210 287 K C 2.356 178.967 176.600 0.019 0.000 1.049 287 K CA 1.621 57.919 56.287 0.017 0.000 0.929 287 K CB -0.177 32.328 32.500 0.009 0.000 0.714 287 K HN 0.038 nan 8.250 nan 0.000 0.440 288 R N 1.042 121.547 120.500 0.009 0.000 2.120 288 R HA -0.111 4.234 4.340 0.008 0.000 0.234 288 R C 2.215 178.530 176.300 0.026 0.000 1.123 288 R CA 1.351 57.455 56.100 0.007 0.000 0.975 288 R CB -0.075 30.222 30.300 -0.005 0.000 0.866 288 R HN 0.174 nan 8.270 nan 0.000 0.446 289 K N 0.445 120.860 120.400 0.025 0.000 2.031 289 K HA -0.050 4.275 4.320 0.008 0.000 0.205 289 K C 2.111 178.735 176.600 0.040 0.000 1.049 289 K CA 1.144 57.450 56.287 0.031 0.000 0.939 289 K CB -0.102 32.411 32.500 0.022 0.000 0.717 289 K HN 0.132 nan 8.250 nan 0.000 0.438 290 I N 1.172 121.762 120.570 0.033 0.000 2.208 290 I HA -0.287 3.888 4.170 0.008 0.000 0.245 290 I C 2.290 178.437 176.117 0.050 0.000 1.097 290 I CA 1.326 62.642 61.300 0.026 0.000 1.363 290 I CB -0.244 37.767 38.000 0.019 0.000 1.051 290 I HN 0.134 nan 8.210 nan 0.000 0.413 291 I N 0.480 121.113 120.570 0.105 0.000 2.252 291 I HA -0.170 4.005 4.170 0.008 0.000 0.245 291 I C 2.641 178.920 176.117 0.270 0.000 1.102 291 I CA 1.440 62.880 61.300 0.234 0.000 1.385 291 I CB -0.689 37.416 38.000 0.175 0.000 1.064 291 I HN 0.230 nan 8.210 nan 0.000 0.414 292 G N 0.433 109.329 108.800 0.160 0.000 2.418 292 G HA2 -0.248 3.717 3.960 0.008 0.000 0.217 292 G HA3 -0.248 3.717 3.960 0.008 0.000 0.217 292 G C 1.797 176.819 174.900 0.202 0.000 1.158 292 G CA 0.409 45.614 45.100 0.174 0.000 0.771 292 G HN 0.229 nan 8.290 nan 0.000 0.545 293 R N 0.217 120.787 120.500 0.117 0.000 2.070 293 R HA -0.074 4.271 4.340 0.008 0.000 0.233 293 R C 2.440 178.762 176.300 0.037 0.000 1.137 293 R CA 1.467 57.608 56.100 0.069 0.000 0.945 293 R CB -0.245 30.068 30.300 0.022 0.000 0.845 293 R HN 0.205 nan 8.270 nan 0.000 0.430 294 E N 0.078 120.246 120.200 -0.053 0.000 2.118 294 E HA -0.211 4.144 4.350 0.008 0.000 0.195 294 E C 1.681 178.235 176.600 -0.076 0.000 0.992 294 E CA 0.991 57.213 56.400 -0.297 0.000 0.804 294 E CB -0.386 28.769 29.700 -0.908 0.000 0.741 294 E HN 0.325 nan 8.360 nan 0.000 0.458 295 F N 1.416 121.474 119.950 0.180 0.000 2.075 295 F HA -0.200 4.332 4.527 0.008 0.000 0.297 295 F C 2.266 178.197 175.800 0.218 0.000 1.113 295 F CA 1.050 59.269 58.000 0.365 0.000 1.218 295 F CB -0.433 38.735 39.000 0.279 0.000 0.984 295 F HN -0.215 nan 8.300 nan 0.000 0.472 296 V N 0.896 120.874 119.914 0.106 0.000 2.324 296 V HA -0.354 3.771 4.120 0.008 0.000 0.250 296 V C 2.761 178.858 176.094 0.006 0.000 1.060 296 V CA 1.892 64.217 62.300 0.042 0.000 1.042 296 V CB -1.723 30.187 31.823 0.145 0.000 0.650 296 V HN 0.536 nan 8.190 nan 0.000 0.450 297 A N 0.041 122.861 122.820 -0.000 0.000 1.845 297 A HA -0.152 4.173 4.320 0.008 0.000 0.215 297 A C 2.468 180.037 177.584 -0.024 0.000 1.195 297 A CA 2.348 54.377 52.037 -0.013 0.000 0.616 297 A CB -1.036 17.941 19.000 -0.038 0.000 0.832 297 A HN 0.591 nan 8.150 nan 0.000 0.443 298 A N -1.431 121.370 122.820 -0.032 0.000 1.908 298 A HA -0.085 4.240 4.320 0.008 0.000 0.218 298 A C 2.086 179.654 177.584 -0.027 0.000 1.181 298 A CA 1.832 53.870 52.037 0.001 0.000 0.627 298 A CB -0.741 18.320 19.000 0.102 0.000 0.818 298 A HN 0.651 nan 8.150 nan 0.000 0.445 299 F N 0.672 120.419 119.950 -0.339 0.000 2.084 299 F HA -0.113 4.419 4.527 0.008 0.000 0.296 299 F C 2.793 178.499 175.800 -0.158 0.000 1.111 299 F CA 1.613 59.395 58.000 -0.362 0.000 1.224 299 F CB -0.746 37.838 39.000 -0.694 0.000 0.991 299 F HN 0.237 nan 8.300 nan 0.000 0.471 300 S N -0.221 115.458 115.700 -0.036 0.000 2.368 300 S HA -0.371 4.104 4.470 0.008 0.000 0.226 300 S C 2.199 176.768 174.600 -0.052 0.000 1.044 300 S CA 1.999 60.187 58.200 -0.019 0.000 1.062 300 S CB -0.743 62.490 63.200 0.054 0.000 0.931 300 S HN 0.669 nan 8.310 nan 0.000 0.440 301 Q N -0.042 119.734 119.800 -0.039 0.000 2.014 301 Q HA -0.144 4.201 4.340 0.008 0.000 0.207 301 Q C 2.118 178.096 176.000 -0.036 0.000 0.993 301 Q CA 2.559 58.348 55.803 -0.024 0.000 0.850 301 Q CB -0.405 28.325 28.738 -0.012 0.000 0.916 301 Q HN 0.503 nan 8.270 nan 0.000 0.417 302 V N 1.158 121.028 119.914 -0.074 0.000 2.380 302 V HA -0.343 3.782 4.120 0.008 0.000 0.251 302 V C 2.384 178.446 176.094 -0.054 0.000 1.063 302 V CA 1.881 64.140 62.300 -0.070 0.000 1.055 302 V CB -1.278 30.479 31.823 -0.110 0.000 0.657 302 V HN 0.568 nan 8.190 nan 0.000 0.455 303 A N -0.211 122.514 122.820 -0.158 0.000 1.908 303 A HA -0.277 4.048 4.320 0.008 0.000 0.218 303 A C 2.411 180.116 177.584 0.203 0.000 1.181 303 A CA 2.217 54.263 52.037 0.014 0.000 0.627 303 A CB -0.527 18.450 19.000 -0.038 0.000 0.818 303 A HN 0.528 nan 8.150 nan 0.000 0.445 304 R N -0.117 120.432 120.500 0.082 0.000 2.064 304 R HA -0.125 4.220 4.340 0.008 0.000 0.228 304 R C 1.997 178.318 176.300 0.035 0.000 1.144 304 R CA 1.666 57.797 56.100 0.051 0.000 0.932 304 R CB -0.358 29.953 30.300 0.018 0.000 0.833 304 R HN 0.639 nan 8.270 nan 0.000 0.429 305 E N -0.314 119.904 120.200 0.029 0.000 2.331 305 E HA -0.173 4.182 4.350 0.008 0.000 0.199 305 E C 1.529 178.143 176.600 0.024 0.000 1.008 305 E CA 0.767 57.178 56.400 0.019 0.000 0.843 305 E CB 0.161 29.872 29.700 0.018 0.000 0.761 305 E HN 0.298 nan 8.360 nan 0.000 0.507 306 R N -0.093 120.449 120.500 0.070 0.000 2.419 306 R HA 0.175 4.520 4.340 0.008 0.000 0.235 306 R C 1.082 177.304 176.300 -0.130 0.000 0.899 306 R CA 0.359 56.499 56.100 0.067 0.000 1.048 306 R CB 0.101 30.534 30.300 0.223 0.000 1.182 306 R HN 0.013 nan 8.270 nan 0.000 0.544 307 G N 3.237 111.962 108.800 -0.125 0.000 2.583 307 G HA2 0.206 4.171 3.960 0.008 0.000 0.275 307 G HA3 0.206 4.171 3.960 0.008 0.000 0.275 307 G C -1.813 172.841 174.900 -0.409 0.000 1.342 307 G CA -0.503 44.296 45.100 -0.502 0.000 1.030 307 G HN 0.022 nan 8.290 nan 0.000 0.520 308 P HA 0.423 nan 4.420 nan 0.000 0.276 308 P C -1.493 175.504 177.300 -0.504 0.000 1.261 308 P CA -0.234 62.687 63.100 -0.298 0.000 0.800 308 P CB 0.946 32.548 31.700 -0.164 0.000 1.066 309 F N 0.006 120.010 119.950 0.090 0.000 2.553 309 F HA 0.323 4.855 4.527 0.008 0.000 0.335 309 F C 1.469 177.361 175.800 0.154 0.000 1.148 309 F CA -0.730 57.372 58.000 0.170 0.000 0.963 309 F CB 1.816 40.988 39.000 0.287 0.000 1.217 309 F HN 0.180 nan 8.300 nan 0.000 0.441 310 R N 2.269 122.876 120.500 0.178 0.000 2.115 310 R HA 0.097 4.442 4.340 0.008 0.000 0.230 310 R C -0.656 175.481 176.300 -0.272 0.000 1.111 310 R CA 1.620 57.638 56.100 -0.138 0.000 0.976 310 R CB -0.173 29.941 30.300 -0.311 0.000 0.870 310 R HN 0.377 nan 8.270 nan 0.000 0.445 311 F N -1.123 118.999 119.950 0.287 0.000 2.593 311 F HA 0.471 5.002 4.527 0.008 0.000 0.320 311 F C -0.848 175.051 175.800 0.164 0.000 1.060 311 F CA -1.395 56.737 58.000 0.221 0.000 0.940 311 F CB 1.623 40.702 39.000 0.131 0.000 1.268 311 F HN -0.213 nan 8.300 nan 0.000 0.475 312 L N 2.121 123.522 121.223 0.297 0.000 2.404 312 L HA 0.825 5.170 4.340 0.008 0.000 0.272 312 L C -0.798 176.102 176.870 0.050 0.000 0.980 312 L CA -0.576 54.272 54.840 0.012 0.000 0.836 312 L CB 1.003 42.971 42.059 -0.152 0.000 1.238 312 L HN 0.665 nan 8.230 nan 0.000 0.408 313 A N 4.924 127.744 122.820 0.001 0.000 2.328 313 A HA 0.712 5.037 4.320 0.008 0.000 0.284 313 A C -0.431 177.121 177.584 -0.054 0.000 1.160 313 A CA -0.284 51.727 52.037 -0.043 0.000 0.818 313 A CB 0.408 19.362 19.000 -0.076 0.000 1.087 313 A HN 0.772 nan 8.150 nan 0.000 0.504 314 Q N 0.853 120.614 119.800 -0.066 0.000 2.394 314 Q HA 0.507 4.852 4.340 0.008 0.000 0.273 314 Q C 0.473 176.437 176.000 -0.060 0.000 1.089 314 Q CA -0.443 55.332 55.803 -0.046 0.000 0.812 314 Q CB 2.218 30.949 28.738 -0.012 0.000 1.353 314 Q HN 0.830 nan 8.270 nan 0.000 0.438 315 G N 1.029 109.828 108.800 -0.002 0.000 3.440 315 G HA2 0.041 4.006 3.960 0.008 0.000 0.263 315 G HA3 0.041 4.006 3.960 0.008 0.000 0.263 315 G C 0.170 175.150 174.900 0.133 0.000 1.236 315 G CA -0.155 44.998 45.100 0.087 0.000 0.927 315 G HN 0.436 nan 8.290 nan 0.000 0.530 316 T N 1.461 116.062 114.554 0.078 0.000 2.891 316 T HA 0.158 4.513 4.350 0.008 0.000 0.296 316 T C 0.391 175.172 174.700 0.135 0.000 1.025 316 T CA 0.605 62.756 62.100 0.085 0.000 1.149 316 T CB 0.846 69.750 68.868 0.061 0.000 1.007 316 T HN 0.049 nan 8.240 nan 0.000 0.528 317 L N 2.223 123.513 121.223 0.113 0.000 2.313 317 L HA 0.375 4.720 4.340 0.008 0.000 0.268 317 L C 1.192 178.111 176.870 0.080 0.000 1.010 317 L CA -1.186 53.722 54.840 0.114 0.000 0.814 317 L CB 0.771 42.887 42.059 0.095 0.000 1.304 317 L HN 0.507 nan 8.230 nan 0.000 0.441 318 Y N 2.626 122.824 120.300 -0.170 0.000 2.139 318 Y HA -0.174 4.380 4.550 0.006 0.000 0.282 318 Y C -0.755 174.998 175.900 -0.245 0.000 1.179 318 Y CA 1.774 59.703 58.100 -0.285 0.000 1.161 318 Y CB -1.305 36.797 38.460 -0.596 0.000 0.970 318 Y HN 0.449 nan 8.280 nan 0.000 0.511 319 P HA -0.146 nan 4.420 nan 0.000 0.216 319 P C 1.361 178.584 177.300 -0.128 0.000 1.150 319 P CA 2.249 65.243 63.100 -0.177 0.000 0.837 319 P CB -0.015 31.675 31.700 -0.017 0.000 0.786 320 D N -0.916 119.449 120.400 -0.060 0.000 2.144 320 D HA -0.090 4.555 4.640 0.008 0.000 0.199 320 D C 1.883 178.154 176.300 -0.048 0.000 0.984 320 D CA 1.082 55.064 54.000 -0.031 0.000 0.834 320 D CB -0.468 40.338 40.800 0.009 0.000 0.955 320 D HN 0.033 nan 8.370 nan 0.000 0.465 321 V N 1.288 121.169 119.914 -0.056 0.000 2.809 321 V HA -0.096 4.029 4.120 0.008 0.000 0.256 321 V C 1.564 177.573 176.094 -0.140 0.000 1.080 321 V CA 0.665 62.940 62.300 -0.042 0.000 1.102 321 V CB -0.101 31.772 31.823 0.084 0.000 0.705 321 V HN 0.084 nan 8.190 nan 0.000 0.475 347 E N 0.945 121.077 120.200 -0.114 0.000 2.268 347 E HA 0.052 4.407 4.350 0.008 0.000 0.195 347 E C -0.330 175.854 176.600 -0.693 0.000 0.995 347 E CA 1.122 57.235 56.400 -0.479 0.000 0.836 347 E CB 0.137 29.373 29.700 -0.773 0.000 0.763 347 E HN 0.231 nan 8.360 nan 0.000 0.491 348 F N -0.411 119.562 119.950 0.038 0.000 2.640 348 F HA 0.389 4.921 4.527 0.008 0.000 0.324 348 F C 0.615 176.434 175.800 0.031 0.000 1.077 348 F CA -1.189 56.831 58.000 0.034 0.000 0.965 348 F CB 0.854 39.907 39.000 0.088 0.000 1.351 348 F HN -0.398 nan 8.300 nan 0.000 0.487 349 E N 1.374 121.705 120.200 0.218 0.000 2.216 349 E HA 0.374 4.729 4.350 0.008 0.000 0.279 349 E C -0.911 175.886 176.600 0.330 0.000 0.997 349 E CA -0.481 56.033 56.400 0.190 0.000 0.817 349 E CB 1.598 31.324 29.700 0.043 0.000 1.096 349 E HN 0.531 nan 8.360 nan 0.000 0.393 350 L N 4.235 125.607 121.223 0.248 0.000 2.360 350 L HA 0.124 4.469 4.340 0.008 0.000 0.276 350 L C -0.082 176.888 176.870 0.168 0.000 1.121 350 L CA -0.425 54.530 54.840 0.192 0.000 0.845 350 L CB 0.355 42.490 42.059 0.127 0.000 1.143 350 L HN 0.212 nan 8.230 nan 0.000 0.452 351 L N 5.561 126.845 121.223 0.102 0.000 2.345 351 L HA 0.325 4.670 4.340 0.008 0.000 0.274 351 L C -0.321 176.510 176.870 -0.066 0.000 0.999 351 L CA -0.114 54.717 54.840 -0.015 0.000 0.849 351 L CB 1.194 43.199 42.059 -0.090 0.000 1.220 351 L HN 0.650 nan 8.230 nan 0.000 0.422 352 E N 5.759 125.917 120.200 -0.070 0.000 2.914 352 E HA 0.341 4.696 4.350 0.008 0.000 0.246 352 E C -2.557 173.981 176.600 -0.103 0.000 1.146 352 E CA -1.522 54.820 56.400 -0.096 0.000 0.803 352 E CB 1.140 30.829 29.700 -0.018 0.000 1.409 352 E HN 0.419 nan 8.360 nan 0.000 0.392 353 P HA -0.069 nan 4.420 nan 0.000 0.226 353 P C 0.320 177.674 177.300 0.091 0.000 1.153 353 P CA 0.532 63.543 63.100 -0.147 0.000 0.777 353 P CB -0.006 31.519 31.700 -0.291 0.000 0.794 354 F N 0.715 120.682 119.950 0.027 0.000 2.727 354 F HA 0.228 4.760 4.527 0.008 0.000 0.302 354 F C 2.237 178.065 175.800 0.048 0.000 1.097 354 F CA -0.907 57.120 58.000 0.044 0.000 1.330 354 F CB -0.995 38.030 39.000 0.042 0.000 1.084 354 F HN -0.050 nan 8.300 nan 0.000 0.578 355 R N 0.759 121.376 120.500 0.195 0.000 2.211 355 R HA -0.127 4.218 4.340 0.008 0.000 0.240 355 R C 0.874 177.256 176.300 0.137 0.000 1.144 355 R CA 1.468 57.658 56.100 0.149 0.000 0.992 355 R CB -0.753 29.613 30.300 0.111 0.000 0.869 355 R HN 0.336 nan 8.270 nan 0.000 0.462 356 L N 0.764 122.029 121.223 0.070 0.000 2.728 356 L HA 0.297 4.642 4.340 0.008 0.000 0.238 356 L C -0.420 176.348 176.870 -0.170 0.000 1.143 356 L CA -0.479 54.253 54.840 -0.180 0.000 0.937 356 L CB 0.297 42.317 42.059 -0.065 0.000 1.225 356 L HN 0.028 nan 8.230 nan 0.000 0.507 357 L N -0.930 120.316 121.223 0.038 0.000 2.330 357 L HA 0.479 4.824 4.340 0.008 0.000 0.271 357 L C -0.222 176.650 176.870 0.005 0.000 1.013 357 L CA -0.153 54.751 54.840 0.107 0.000 0.816 357 L CB 1.213 43.368 42.059 0.160 0.000 1.287 357 L HN -0.229 nan 8.230 nan 0.000 0.435 358 F N 0.414 120.450 119.950 0.144 0.000 2.380 358 F HA 0.288 4.819 4.527 0.008 0.000 0.321 358 F C 1.531 177.350 175.800 0.032 0.000 1.103 358 F CA -0.338 57.708 58.000 0.075 0.000 1.067 358 F CB 0.889 39.897 39.000 0.013 0.000 1.265 358 F HN 0.509 nan 8.300 nan 0.000 0.517 359 K N 1.049 121.583 120.400 0.223 0.000 2.063 359 K HA -0.209 4.116 4.320 0.008 0.000 0.208 359 K C 1.637 178.284 176.600 0.077 0.000 1.048 359 K CA 2.213 58.568 56.287 0.113 0.000 0.928 359 K CB -0.333 32.237 32.500 0.117 0.000 0.713 359 K HN 0.724 nan 8.250 nan 0.000 0.442 360 D N 0.460 120.919 120.400 0.099 0.000 2.149 360 D HA -0.234 4.411 4.640 0.008 0.000 0.198 360 D C 1.232 177.560 176.300 0.046 0.000 0.990 360 D CA 1.546 55.585 54.000 0.065 0.000 0.839 360 D CB -0.406 40.425 40.800 0.053 0.000 0.948 360 D HN 0.549 nan 8.370 nan 0.000 0.460 361 E N 0.428 120.680 120.200 0.088 0.000 2.106 361 E HA -0.076 4.279 4.350 0.008 0.000 0.192 361 E C 2.470 179.021 176.600 -0.082 0.000 0.984 361 E CA 0.707 57.139 56.400 0.054 0.000 0.806 361 E CB 0.066 29.891 29.700 0.210 0.000 0.750 361 E HN 0.182 nan 8.360 nan 0.000 0.458 362 V N 1.370 121.201 119.914 -0.137 0.000 2.427 362 V HA -0.215 3.910 4.120 0.008 0.000 0.248 362 V C 2.207 178.186 176.094 -0.191 0.000 1.051 362 V CA 1.586 63.690 62.300 -0.327 0.000 1.048 362 V CB -0.479 31.107 31.823 -0.395 0.000 0.666 362 V HN 0.180 nan 8.190 nan 0.000 0.456 363 R N -0.317 120.130 120.500 -0.088 0.000 2.120 363 R HA -0.144 4.201 4.340 0.008 0.000 0.234 363 R C 2.333 178.601 176.300 -0.054 0.000 1.123 363 R CA 1.117 57.189 56.100 -0.046 0.000 0.975 363 R CB -0.209 30.089 30.300 -0.003 0.000 0.866 363 R HN 0.458 nan 8.270 nan 0.000 0.446 364 E N 0.817 120.978 120.200 -0.066 0.000 2.107 364 E HA -0.093 4.262 4.350 0.008 0.000 0.191 364 E C 2.052 178.598 176.600 -0.090 0.000 0.982 364 E CA 0.875 57.233 56.400 -0.071 0.000 0.809 364 E CB -0.010 29.643 29.700 -0.078 0.000 0.756 364 E HN 0.327 nan 8.360 nan 0.000 0.459 365 L N 0.181 121.329 121.223 -0.125 0.000 2.141 365 L HA -0.119 4.226 4.340 0.008 0.000 0.209 365 L C 2.466 179.290 176.870 -0.077 0.000 1.094 365 L CA 0.972 55.741 54.840 -0.119 0.000 0.763 365 L CB -0.461 41.492 42.059 -0.177 0.000 0.908 365 L HN 0.046 nan 8.230 nan 0.000 0.437 366 A N -0.057 122.717 122.820 -0.076 0.000 1.972 366 A HA -0.199 4.126 4.320 0.008 0.000 0.219 366 A C 2.303 179.868 177.584 -0.032 0.000 1.169 366 A CA 1.338 53.352 52.037 -0.040 0.000 0.635 366 A CB -0.568 18.412 19.000 -0.032 0.000 0.810 366 A HN 0.400 nan 8.150 nan 0.000 0.446 367 L N -1.085 120.114 121.223 -0.039 0.000 2.027 367 L HA -0.127 4.218 4.340 0.008 0.000 0.206 367 L C 2.167 179.017 176.870 -0.034 0.000 1.074 367 L CA 1.124 55.944 54.840 -0.033 0.000 0.745 367 L CB -0.205 41.833 42.059 -0.035 0.000 0.898 367 L HN 0.319 nan 8.230 nan 0.000 0.433 368 L N -0.435 120.763 121.223 -0.042 0.000 2.275 368 L HA -0.154 4.191 4.340 0.008 0.000 0.215 368 L C 1.872 178.724 176.870 -0.029 0.000 1.119 368 L CA 1.429 56.246 54.840 -0.039 0.000 0.790 368 L CB -0.417 41.612 42.059 -0.051 0.000 0.919 368 L HN 0.228 nan 8.230 nan 0.000 0.443 369 L N -1.103 120.105 121.223 -0.024 0.000 2.653 369 L HA 0.289 4.634 4.340 0.008 0.000 0.231 369 L C 1.318 178.180 176.870 -0.013 0.000 1.153 369 L CA 0.368 55.200 54.840 -0.014 0.000 0.933 369 L CB -0.369 41.689 42.059 -0.002 0.000 1.175 369 L HN 0.400 nan 8.230 nan 0.000 0.473 370 G N 0.748 109.538 108.800 -0.017 0.000 2.143 370 G HA2 -0.308 3.657 3.960 0.008 0.000 0.248 370 G HA3 -0.308 3.657 3.960 0.008 0.000 0.248 370 G C -0.014 174.876 174.900 -0.016 0.000 0.991 370 G CA -0.019 45.071 45.100 -0.016 0.000 0.689 370 G HN 0.209 nan 8.290 nan 0.000 0.522 371 L N 2.838 124.052 121.223 -0.016 0.000 2.418 371 L HA 0.494 4.839 4.340 0.008 0.000 0.274 371 L C -1.061 175.797 176.870 -0.021 0.000 1.135 371 L CA -1.893 52.938 54.840 -0.016 0.000 0.870 371 L CB 0.217 42.270 42.059 -0.010 0.000 1.154 371 L HN 0.075 nan 8.230 nan 0.000 0.462 372 P HA 0.050 nan 4.420 nan 0.000 0.271 372 P C -0.252 177.029 177.300 -0.033 0.000 1.216 372 P CA -0.237 62.845 63.100 -0.030 0.000 0.776 372 P CB 0.766 32.445 31.700 -0.034 0.000 0.881 373 D N 1.282 121.662 120.400 -0.034 0.000 2.239 373 D HA -0.162 4.483 4.640 0.008 0.000 0.202 373 D C 1.862 178.131 176.300 -0.052 0.000 0.993 373 D CA 2.100 56.079 54.000 -0.036 0.000 0.874 373 D CB -0.692 40.087 40.800 -0.036 0.000 0.922 373 D HN 0.530 nan 8.370 nan 0.000 0.464 374 T N -1.400 113.117 114.554 -0.062 0.000 2.778 374 T HA -0.150 4.205 4.350 0.008 0.000 0.269 374 T C 1.865 176.518 174.700 -0.079 0.000 1.050 374 T CA 0.892 62.941 62.100 -0.084 0.000 1.137 374 T CB -0.237 68.584 68.868 -0.079 0.000 0.860 374 T HN 0.214 nan 8.240 nan 0.000 0.468 375 L N -0.793 120.399 121.223 -0.052 0.000 2.906 375 L HA 0.474 4.819 4.340 0.008 0.000 0.255 375 L C 2.457 179.320 176.870 -0.011 0.000 1.166 375 L CA -0.277 54.542 54.840 -0.034 0.000 0.977 375 L CB 0.139 42.179 42.059 -0.032 0.000 1.313 375 L HN 0.078 nan 8.230 nan 0.000 0.549 376 R N 0.615 121.107 120.500 -0.013 0.000 2.225 376 R HA 0.211 4.556 4.340 0.008 0.000 0.194 376 R C 1.070 177.379 176.300 0.016 0.000 0.957 376 R CA 0.431 56.531 56.100 0.000 0.000 1.042 376 R CB 0.471 30.766 30.300 -0.009 0.000 1.004 376 R HN 0.285 nan 8.270 nan 0.000 0.509 377 L N 1.540 122.771 121.223 0.013 0.000 3.017 377 L HA 0.386 4.731 4.340 0.008 0.000 0.255 377 L C -0.235 176.682 176.870 0.077 0.000 1.247 377 L CA -0.358 54.508 54.840 0.043 0.000 1.038 377 L CB 0.498 42.578 42.059 0.034 0.000 1.380 377 L HN -0.040 nan 8.230 nan 0.000 0.548 378 R N -0.725 119.814 120.500 0.064 0.000 2.500 378 R HA 0.360 4.705 4.340 0.008 0.000 0.275 378 R C -0.237 176.145 176.300 0.137 0.000 1.051 378 R CA -0.650 55.508 56.100 0.098 0.000 1.088 378 R CB 0.751 31.080 30.300 0.049 0.000 1.063 378 R HN 0.217 nan 8.270 nan 0.000 0.511 379 H N 1.075 120.284 119.070 0.233 0.000 2.679 379 H HA 0.091 4.652 4.556 0.008 0.000 0.369 379 H C -1.842 173.573 175.328 0.144 0.000 1.178 379 H CA -1.491 54.609 56.048 0.088 0.000 1.419 379 H CB 0.150 29.892 29.762 -0.034 0.000 1.458 379 H HN 0.316 nan 8.280 nan 0.000 0.605 380 P HA -0.014 nan 4.420 nan 0.000 0.269 380 P C -1.232 176.244 177.300 0.294 0.000 1.209 380 P CA 0.275 63.505 63.100 0.216 0.000 0.776 380 P CB 0.443 32.228 31.700 0.143 0.000 0.876 381 F N 3.311 123.308 119.950 0.079 0.000 2.557 381 F HA 0.428 4.960 4.527 0.008 0.000 0.316 381 F C -2.288 173.532 175.800 0.033 0.000 1.141 381 F CA -2.575 55.464 58.000 0.066 0.000 0.922 381 F CB 1.249 40.294 39.000 0.076 0.000 1.194 381 F HN 0.234 nan 8.300 nan 0.000 0.443 382 P HA 0.174 nan 4.420 nan 0.000 0.269 382 P C 0.595 177.713 177.300 -0.304 0.000 1.209 382 P CA 0.116 63.014 63.100 -0.336 0.000 0.776 382 P CB 1.104 32.593 31.700 -0.353 0.000 0.876 383 G N 2.496 111.187 108.800 -0.181 0.000 2.440 383 G HA2 -0.170 3.795 3.960 0.008 0.000 0.218 383 G HA3 -0.170 3.795 3.960 0.008 0.000 0.218 383 G C -0.937 173.867 174.900 -0.160 0.000 1.154 383 G CA 0.597 45.602 45.100 -0.159 0.000 0.767 383 G HN 0.454 nan 8.290 nan 0.000 0.552 384 P HA 0.128 nan 4.420 nan 0.000 0.237 384 P C 1.566 178.669 177.300 -0.327 0.000 1.178 384 P CA 0.935 63.900 63.100 -0.224 0.000 0.766 384 P CB -0.013 31.596 31.700 -0.152 0.000 0.876 385 G N 0.467 109.024 108.800 -0.405 0.000 2.634 385 G HA2 -0.350 3.615 3.960 0.008 0.000 0.309 385 G HA3 -0.350 3.615 3.960 0.008 0.000 0.309 385 G C 0.657 175.343 174.900 -0.355 0.000 1.265 385 G CA 0.251 45.044 45.100 -0.512 0.000 0.998 385 G HN 0.225 nan 8.290 nan 0.000 0.551 386 L N 2.021 123.217 121.223 -0.045 0.000 2.456 386 L HA 0.285 4.630 4.340 0.008 0.000 0.224 386 L C 3.289 180.122 176.870 -0.062 0.000 1.148 386 L CA 2.376 57.219 54.840 0.004 0.000 0.825 386 L CB -1.082 41.035 42.059 0.097 0.000 0.937 386 L HN 0.851 nan 8.230 nan 0.000 0.450 387 A N -0.510 122.247 122.820 -0.105 0.000 1.933 387 A HA -0.134 4.191 4.320 0.008 0.000 0.218 387 A C 2.010 179.557 177.584 -0.063 0.000 1.175 387 A CA 1.702 53.693 52.037 -0.077 0.000 0.628 387 A CB -0.764 18.184 19.000 -0.087 0.000 0.814 387 A HN 0.304 nan 8.150 nan 0.000 0.444 388 V N -3.714 116.146 119.914 -0.089 0.000 3.646 388 V HA 0.224 4.349 4.120 0.008 0.000 0.277 388 V C 1.233 177.300 176.094 -0.046 0.000 1.274 388 V CA 0.834 63.099 62.300 -0.058 0.000 1.164 388 V CB -0.811 30.968 31.823 -0.073 0.000 0.926 388 V HN 0.457 nan 8.190 nan 0.000 0.442 389 R N -0.247 120.214 120.500 -0.065 0.000 2.543 389 R HA 0.463 4.808 4.340 0.008 0.000 0.323 389 R C -0.541 175.705 176.300 -0.090 0.000 1.002 389 R CA -0.074 55.976 56.100 -0.084 0.000 1.106 389 R CB 1.495 31.746 30.300 -0.083 0.000 1.280 389 R HN 0.432 nan 8.270 nan 0.000 0.549 390 V N 2.052 121.935 119.914 -0.052 0.000 2.350 390 V HA 0.191 4.316 4.120 0.008 0.000 0.285 390 V C -0.343 175.752 176.094 0.003 0.000 1.014 390 V CA -0.759 61.516 62.300 -0.042 0.000 0.831 390 V CB 1.771 33.573 31.823 -0.035 0.000 1.000 390 V HN 0.125 nan 8.190 nan 0.000 0.433 391 L N 6.216 127.454 121.223 0.025 0.000 2.382 391 L HA 0.642 4.987 4.340 0.008 0.000 0.259 391 L C 0.892 177.804 176.870 0.071 0.000 1.291 391 L CA 1.368 56.251 54.840 0.071 0.000 1.176 391 L CB -0.647 41.479 42.059 0.112 0.000 1.373 391 L HN 0.970 nan 8.230 nan 0.000 0.426 392 G N 1.175 110.008 108.800 0.055 0.000 2.302 392 G HA2 -0.062 3.903 3.960 0.008 0.000 0.264 392 G HA3 -0.062 3.903 3.960 0.008 0.000 0.264 392 G C -0.910 174.016 174.900 0.044 0.000 1.335 392 G CA -0.896 44.236 45.100 0.054 0.000 0.982 392 G HN 0.181 nan 8.290 nan 0.000 0.473 393 E N -0.226 120.002 120.200 0.047 0.000 2.415 393 E HA 0.357 4.712 4.350 0.008 0.000 0.263 393 E C 0.015 176.639 176.600 0.040 0.000 0.995 393 E CA -0.229 56.195 56.400 0.041 0.000 0.915 393 E CB 0.836 30.561 29.700 0.042 0.000 0.951 393 E HN 0.341 nan 8.360 nan 0.000 0.449 394 V N 5.303 125.236 119.914 0.031 0.000 2.408 394 V HA 0.141 4.266 4.120 0.008 0.000 0.267 394 V C 0.461 176.574 176.094 0.033 0.000 1.047 394 V CA -0.125 62.190 62.300 0.025 0.000 0.937 394 V CB 0.717 32.552 31.823 0.019 0.000 0.999 394 V HN 0.771 nan 8.190 nan 0.000 0.472 395 T N 0.394 114.966 114.554 0.031 0.000 2.908 395 T HA 0.445 4.800 4.350 0.008 0.000 0.290 395 T C 0.698 175.415 174.700 0.027 0.000 1.034 395 T CA -0.607 61.515 62.100 0.037 0.000 1.010 395 T CB 2.177 71.075 68.868 0.049 0.000 1.068 395 T HN 0.431 nan 8.240 nan 0.000 0.481 396 E N 0.868 121.088 120.200 0.033 0.000 2.118 396 E HA -0.201 4.154 4.350 0.008 0.000 0.195 396 E C 1.822 178.432 176.600 0.016 0.000 0.992 396 E CA 1.873 58.291 56.400 0.029 0.000 0.804 396 E CB -0.200 29.522 29.700 0.036 0.000 0.741 396 E HN 0.873 nan 8.360 nan 0.000 0.458 397 E N -0.182 120.031 120.200 0.022 0.000 2.077 397 E HA -0.219 4.136 4.350 0.008 0.000 0.193 397 E C 2.092 178.676 176.600 -0.027 0.000 0.989 397 E CA 1.067 57.477 56.400 0.017 0.000 0.800 397 E CB -0.010 29.720 29.700 0.049 0.000 0.746 397 E HN 0.193 nan 8.360 nan 0.000 0.452 398 R N -0.011 120.464 120.500 -0.042 0.000 2.115 398 R HA -0.040 4.305 4.340 0.008 0.000 0.230 398 R C 2.563 178.786 176.300 -0.127 0.000 1.111 398 R CA 0.844 56.856 56.100 -0.148 0.000 0.976 398 R CB -0.159 30.081 30.300 -0.101 0.000 0.870 398 R HN 0.267 nan 8.270 nan 0.000 0.445 399 L N 0.580 121.769 121.223 -0.056 0.000 2.093 399 L HA -0.154 4.191 4.340 0.008 0.000 0.208 399 L C 2.086 178.937 176.870 -0.032 0.000 1.085 399 L CA 1.385 56.205 54.840 -0.033 0.000 0.755 399 L CB -0.278 41.782 42.059 0.001 0.000 0.904 399 L HN 0.245 nan 8.230 nan 0.000 0.435 400 E N 0.068 120.250 120.200 -0.030 0.000 2.152 400 E HA -0.161 4.194 4.350 0.008 0.000 0.192 400 E C 2.274 178.847 176.600 -0.045 0.000 0.983 400 E CA 0.892 57.278 56.400 -0.023 0.000 0.818 400 E CB 0.071 29.766 29.700 -0.008 0.000 0.758 400 E HN 0.484 nan 8.360 nan 0.000 0.467 401 I N 0.673 121.190 120.570 -0.088 0.000 2.233 401 I HA -0.231 3.944 4.170 0.008 0.000 0.243 401 I C 2.394 178.441 176.117 -0.117 0.000 1.093 401 I CA 0.469 61.697 61.300 -0.119 0.000 1.380 401 I CB -0.081 37.781 38.000 -0.230 0.000 1.067 401 I HN 0.144 nan 8.210 nan 0.000 0.413 402 L N 1.108 122.249 121.223 -0.137 0.000 2.046 402 L HA -0.197 4.148 4.340 0.008 0.000 0.208 402 L C 2.591 179.440 176.870 -0.035 0.000 1.077 402 L CA 1.788 56.568 54.840 -0.101 0.000 0.747 402 L CB -0.776 41.221 42.059 -0.102 0.000 0.896 402 L HN 0.090 nan 8.230 nan 0.000 0.432 403 R N -0.771 119.718 120.500 -0.018 0.000 2.091 403 R HA -0.167 4.178 4.340 0.008 0.000 0.238 403 R C 2.417 178.722 176.300 0.009 0.000 1.136 403 R CA 1.715 57.821 56.100 0.010 0.000 0.959 403 R CB -0.123 30.183 30.300 0.010 0.000 0.856 403 R HN 0.397 nan 8.270 nan 0.000 0.437 404 R N -0.328 120.169 120.500 -0.005 0.000 2.066 404 R HA -0.037 4.308 4.340 0.008 0.000 0.232 404 R C 2.384 178.689 176.300 0.010 0.000 1.131 404 R CA 1.199 57.299 56.100 0.000 0.000 0.955 404 R CB -0.459 29.836 30.300 -0.009 0.000 0.851 404 R HN 0.247 nan 8.270 nan 0.000 0.432 405 A N 1.745 124.560 122.820 -0.007 0.000 1.883 405 A HA -0.276 4.049 4.320 0.008 0.000 0.217 405 A C 1.865 179.482 177.584 0.055 0.000 1.186 405 A CA 2.127 54.161 52.037 -0.006 0.000 0.624 405 A CB -0.697 18.271 19.000 -0.054 0.000 0.822 405 A HN 0.415 nan 8.150 nan 0.000 0.444 406 D N -0.568 119.875 120.400 0.072 0.000 2.117 406 D HA -0.211 4.434 4.640 0.008 0.000 0.197 406 D C 1.633 178.034 176.300 0.168 0.000 0.987 406 D CA 1.683 55.778 54.000 0.157 0.000 0.829 406 D CB -0.230 40.647 40.800 0.128 0.000 0.961 406 D HN 0.477 nan 8.370 nan 0.000 0.460 407 D N -0.650 119.805 120.400 0.091 0.000 2.117 407 D HA -0.138 4.507 4.640 0.008 0.000 0.197 407 D C 2.100 178.447 176.300 0.079 0.000 0.987 407 D CA 1.201 55.238 54.000 0.061 0.000 0.829 407 D CB -0.178 40.636 40.800 0.025 0.000 0.961 407 D HN 0.375 nan 8.370 nan 0.000 0.460 408 I N -0.260 120.362 120.570 0.087 0.000 2.179 408 I HA -0.206 3.969 4.170 0.008 0.000 0.242 408 I C 2.057 178.274 176.117 0.167 0.000 1.088 408 I CA 0.631 61.984 61.300 0.087 0.000 1.357 408 I CB -0.392 37.639 38.000 0.051 0.000 1.051 408 I HN 0.087 nan 8.210 nan 0.000 0.409 409 F N 1.893 121.857 119.950 0.024 0.000 2.069 409 F HA -0.250 4.282 4.527 0.008 0.000 0.298 409 F C 2.604 178.503 175.800 0.164 0.000 1.113 409 F CA 2.080 60.122 58.000 0.070 0.000 1.214 409 F CB -1.021 38.025 39.000 0.077 0.000 0.978 409 F HN -0.032 nan 8.300 nan 0.000 0.474 410 T N -0.415 114.194 114.554 0.091 0.000 2.746 410 T HA -0.158 4.197 4.350 0.008 0.000 0.267 410 T C 2.281 176.984 174.700 0.005 0.000 1.039 410 T CA 1.683 63.794 62.100 0.018 0.000 1.142 410 T CB -0.445 68.458 68.868 0.059 0.000 0.866 410 T HN 0.239 nan 8.240 nan 0.000 0.444 411 S N 1.151 116.866 115.700 0.025 0.000 2.355 411 S HA 0.070 4.545 4.470 0.008 0.000 0.222 411 S C 2.023 176.668 174.600 0.075 0.000 1.031 411 S CA 0.784 58.993 58.200 0.015 0.000 0.993 411 S CB -0.420 62.794 63.200 0.023 0.000 0.859 411 S HN 0.341 nan 8.310 nan 0.000 0.453 412 L N 1.020 122.316 121.223 0.122 0.000 2.083 412 L HA -0.098 4.247 4.340 0.008 0.000 0.209 412 L C 2.225 179.276 176.870 0.302 0.000 1.083 412 L CA 0.941 55.897 54.840 0.194 0.000 0.752 412 L CB -0.470 41.653 42.059 0.106 0.000 0.899 412 L HN 0.299 nan 8.230 nan 0.000 0.433 413 L N -0.764 120.585 121.223 0.210 0.000 2.046 413 L HA -0.229 4.116 4.340 0.008 0.000 0.208 413 L C 2.839 179.756 176.870 0.078 0.000 1.077 413 L CA 1.368 56.216 54.840 0.012 0.000 0.747 413 L CB -0.387 41.654 42.059 -0.031 0.000 0.896 413 L HN 0.210 nan 8.230 nan 0.000 0.432 414 R N -0.284 120.260 120.500 0.075 0.000 2.066 414 R HA -0.207 4.138 4.340 0.008 0.000 0.232 414 R C 2.197 178.553 176.300 0.095 0.000 1.131 414 R CA 1.525 57.640 56.100 0.025 0.000 0.955 414 R CB -0.349 29.880 30.300 -0.117 0.000 0.851 414 R HN 0.376 nan 8.270 nan 0.000 0.432 415 E N 0.024 120.318 120.200 0.157 0.000 2.097 415 E HA -0.230 4.125 4.350 0.008 0.000 0.196 415 E C 1.062 177.866 176.600 0.341 0.000 1.000 415 E CA 1.417 57.962 56.400 0.240 0.000 0.804 415 E CB -0.039 29.854 29.700 0.322 0.000 0.740 415 E HN 0.357 nan 8.360 nan 0.000 0.454 416 W N -0.325 120.996 121.300 0.034 0.000 3.256 416 W HA 0.317 4.982 4.660 0.008 0.000 0.269 416 W C 1.396 177.882 176.519 -0.055 0.000 1.310 416 W CA 0.850 58.192 57.345 -0.005 0.000 1.673 416 W CB 0.216 29.664 29.460 -0.019 0.000 1.115 416 W HN 0.371 nan 8.180 nan 0.000 0.686 417 G N 0.046 108.936 108.800 0.149 0.000 2.148 417 G HA2 -0.332 3.633 3.960 0.008 0.000 0.254 417 G HA3 -0.332 3.633 3.960 0.008 0.000 0.254 417 G C 0.897 175.823 174.900 0.045 0.000 0.981 417 G CA 0.481 45.623 45.100 0.071 0.000 0.670 417 G HN 0.331 nan 8.290 nan 0.000 0.528 418 L N -1.308 119.918 121.223 0.005 0.000 2.270 418 L HA 0.145 4.490 4.340 0.008 0.000 0.210 418 L C 2.319 179.167 176.870 -0.036 0.000 1.104 418 L CA 0.932 55.716 54.840 -0.094 0.000 0.804 418 L CB -0.378 41.471 42.059 -0.349 0.000 0.937 418 L HN 0.339 nan 8.230 nan 0.000 0.450 419 Y N 2.099 122.344 120.300 -0.091 0.000 2.102 419 Y HA -0.370 4.185 4.550 0.008 0.000 0.280 419 Y C 2.565 178.520 175.900 0.091 0.000 1.178 419 Y CA 2.363 60.455 58.100 -0.014 0.000 1.146 419 Y CB -0.049 38.356 38.460 -0.093 0.000 0.968 419 Y HN 0.386 nan 8.280 nan 0.000 0.504 420 E N -0.331 119.991 120.200 0.204 0.000 2.347 420 E HA -0.139 4.216 4.350 0.008 0.000 0.196 420 E C 1.467 178.100 176.600 0.054 0.000 1.008 420 E CA 1.115 57.599 56.400 0.140 0.000 0.852 420 E CB -0.272 29.494 29.700 0.109 0.000 0.783 420 E HN 0.423 nan 8.360 nan 0.000 0.505 421 K N 1.148 121.554 120.400 0.010 0.000 2.444 421 K HA 0.102 4.427 4.320 0.008 0.000 0.193 421 K C 0.141 176.698 176.600 -0.071 0.000 1.024 421 K CA 0.223 56.490 56.287 -0.033 0.000 1.077 421 K CB 0.953 33.428 32.500 -0.042 0.000 0.833 421 K HN 0.126 nan 8.250 nan 0.000 0.517 422 V N -4.193 115.661 119.914 -0.100 0.000 2.914 422 V HA 0.606 4.731 4.120 0.008 0.000 0.314 422 V C 0.619 176.547 176.094 -0.277 0.000 1.084 422 V CA -0.862 61.331 62.300 -0.178 0.000 0.963 422 V CB 1.741 33.442 31.823 -0.203 0.000 1.025 422 V HN -0.085 nan 8.190 nan 0.000 0.432 423 A N 1.553 124.219 122.820 -0.257 0.000 2.067 423 A HA 0.327 4.652 4.320 0.008 0.000 0.217 423 A C 0.955 178.269 177.584 -0.450 0.000 1.156 423 A CA 1.487 53.379 52.037 -0.242 0.000 0.683 423 A CB -0.179 18.742 19.000 -0.131 0.000 0.808 423 A HN 1.224 nan 8.150 nan 0.000 0.455 424 Q N -2.333 117.134 119.800 -0.555 0.000 2.426 424 Q HA 0.631 4.976 4.340 0.008 0.000 0.278 424 Q C -1.714 174.055 176.000 -0.385 0.000 1.007 424 Q CA 0.271 55.749 55.803 -0.542 0.000 0.850 424 Q CB 1.654 30.291 28.738 -0.168 0.000 1.427 424 Q HN 0.662 nan 8.270 nan 0.000 0.391 425 A N 2.916 125.603 122.820 -0.222 0.000 2.429 425 A HA 0.768 5.093 4.320 0.008 0.000 0.289 425 A C -1.818 175.918 177.584 0.252 0.000 1.043 425 A CA -0.381 51.688 52.037 0.052 0.000 0.722 425 A CB 0.484 19.404 19.000 -0.133 0.000 1.243 425 A HN 0.956 nan 8.150 nan 0.000 0.415 426 L N -0.775 120.668 121.223 0.367 0.000 2.403 426 L HA 1.096 5.441 4.340 0.008 0.000 0.253 426 L C -0.359 176.649 176.870 0.230 0.000 1.045 426 L CA -0.823 54.199 54.840 0.303 0.000 0.845 426 L CB 1.678 43.833 42.059 0.161 0.000 1.447 426 L HN 1.248 nan 8.230 nan 0.000 0.411 427 A N 0.623 123.495 122.820 0.087 0.000 2.393 427 A HA 0.874 5.199 4.320 0.008 0.000 0.306 427 A C -1.264 176.197 177.584 -0.205 0.000 1.050 427 A CA -0.670 51.300 52.037 -0.112 0.000 0.724 427 A CB 1.845 20.793 19.000 -0.087 0.000 1.248 427 A HN 0.657 nan 8.150 nan 0.000 0.424 428 V N 2.588 122.264 119.914 -0.396 0.000 2.495 428 V HA 0.464 4.589 4.120 0.008 0.000 0.298 428 V C -0.665 175.215 176.094 -0.355 0.000 1.031 428 V CA -0.517 61.508 62.300 -0.459 0.000 0.871 428 V CB 1.521 32.791 31.823 -0.922 0.000 0.988 428 V HN 0.821 nan 8.190 nan 0.000 0.432 429 L N 4.738 125.822 121.223 -0.232 0.000 2.272 429 L HA 0.621 4.966 4.340 0.008 0.000 0.289 429 L C 0.149 176.981 176.870 -0.063 0.000 1.032 429 L CA 0.689 55.428 54.840 -0.168 0.000 0.810 429 L CB 1.554 43.476 42.059 -0.230 0.000 1.205 429 L HN 0.716 nan 8.230 nan 0.000 0.422 430 T N 6.951 121.521 114.554 0.026 0.000 2.772 430 T HA 0.458 4.813 4.350 0.008 0.000 0.288 430 T C -2.587 172.263 174.700 0.251 0.000 0.994 430 T CA -1.069 61.100 62.100 0.116 0.000 0.951 430 T CB 1.335 70.260 68.868 0.095 0.000 0.933 430 T HN 0.390 nan 8.240 nan 0.000 0.447 431 P HA 0.344 nan 4.420 nan 0.000 0.276 431 P C -0.621 176.669 177.300 -0.018 0.000 1.243 431 P CA -0.283 62.900 63.100 0.139 0.000 0.768 431 P CB 0.906 32.701 31.700 0.158 0.000 0.856 446 Y N -0.254 120.036 120.300 -0.016 0.000 2.504 446 Y HA 0.652 5.207 4.550 0.008 0.000 0.344 446 Y C -0.182 175.699 175.900 -0.031 0.000 1.023 446 Y CA -1.114 56.972 58.100 -0.023 0.000 1.020 446 Y CB 2.703 41.146 38.460 -0.028 0.000 1.282 446 Y HN 0.198 nan 8.280 nan 0.000 0.454 447 V N 4.395 124.402 119.914 0.154 0.000 2.448 447 V HA 0.441 4.566 4.120 0.008 0.000 0.295 447 V C -0.942 175.155 176.094 0.005 0.000 1.025 447 V CA -0.756 61.578 62.300 0.056 0.000 0.859 447 V CB 1.824 33.672 31.823 0.043 0.000 0.988 447 V HN 0.576 nan 8.190 nan 0.000 0.431 448 L N 4.899 126.093 121.223 -0.049 0.000 2.296 448 L HA 0.872 5.217 4.340 0.008 0.000 0.286 448 L C 0.246 177.011 176.870 -0.176 0.000 1.023 448 L CA 0.005 54.766 54.840 -0.131 0.000 0.812 448 L CB 1.375 43.353 42.059 -0.134 0.000 1.223 448 L HN 0.739 nan 8.230 nan 0.000 0.421 449 A N 6.460 129.106 122.820 -0.290 0.000 2.271 449 A HA 0.623 4.948 4.320 0.008 0.000 0.317 449 A C -0.748 176.647 177.584 -0.315 0.000 1.245 449 A CA -0.589 51.269 52.037 -0.299 0.000 0.857 449 A CB 0.268 18.955 19.000 -0.522 0.000 1.175 449 A HN 0.732 nan 8.150 nan 0.000 0.512 450 L N 2.114 123.212 121.223 -0.208 0.000 2.326 450 L HA 0.631 4.976 4.340 0.008 0.000 0.278 450 L C 0.416 177.301 176.870 0.025 0.000 1.092 450 L CA -0.525 54.153 54.840 -0.270 0.000 0.810 450 L CB 0.968 42.799 42.059 -0.381 0.000 1.153 450 L HN 0.777 nan 8.230 nan 0.000 0.439 451 R N 3.171 123.746 120.500 0.124 0.000 2.510 451 R HA 0.748 5.093 4.340 0.008 0.000 0.294 451 R C -1.756 174.740 176.300 0.326 0.000 1.056 451 R CA -0.311 55.894 56.100 0.175 0.000 0.918 451 R CB 1.592 31.953 30.300 0.102 0.000 1.187 451 R HN 0.676 nan 8.270 nan 0.000 0.437 452 A N 3.182 126.208 122.820 0.344 0.000 2.475 452 A HA 0.796 5.121 4.320 0.008 0.000 0.301 452 A C -1.138 176.563 177.584 0.195 0.000 1.059 452 A CA -0.203 52.005 52.037 0.284 0.000 0.710 452 A CB 1.688 20.923 19.000 0.391 0.000 1.288 452 A HN 1.025 nan 8.150 nan 0.000 0.408 453 V N -1.072 118.883 119.914 0.068 0.000 3.159 453 V HA 0.988 5.113 4.120 0.008 0.000 0.308 453 V C -0.327 175.738 176.094 -0.049 0.000 1.190 453 V CA -0.009 62.312 62.300 0.036 0.000 1.037 453 V CB 1.495 33.335 31.823 0.030 0.000 1.060 453 V HN 1.641 nan 8.190 nan 0.000 0.437 454 T N -1.140 113.373 114.554 -0.068 0.000 2.901 454 T HA 0.857 5.212 4.350 0.008 0.000 0.293 454 T C -0.387 174.230 174.700 -0.138 0.000 1.084 454 T CA -0.259 61.771 62.100 -0.117 0.000 1.008 454 T CB 1.867 70.658 68.868 -0.128 0.000 1.170 454 T HN 1.588 nan 8.240 nan 0.000 0.509 455 T N -0.413 114.026 114.554 -0.193 0.000 2.889 455 T HA 0.468 4.823 4.350 0.008 0.000 0.315 455 T C -0.593 173.875 174.700 -0.387 0.000 1.291 455 T CA -0.455 61.492 62.100 -0.254 0.000 1.028 455 T CB 1.726 70.447 68.868 -0.246 0.000 1.235 455 T HN 0.927 nan 8.240 nan 0.000 0.491 456 E N 1.322 121.270 120.200 -0.420 0.000 2.639 456 E HA 0.189 4.544 4.350 0.008 0.000 0.225 456 E C -0.101 176.175 176.600 -0.540 0.000 0.921 456 E CA -0.119 55.986 56.400 -0.491 0.000 1.184 456 E CB 0.407 29.888 29.700 -0.365 0.000 1.160 456 E HN 0.589 nan 8.360 nan 0.000 0.547 457 D N 0.363 120.501 120.400 -0.437 0.000 2.469 457 D HA 0.011 4.656 4.640 0.008 0.000 0.213 457 D C 0.288 176.618 176.300 0.051 0.000 1.135 457 D CA -0.622 53.278 54.000 -0.166 0.000 0.834 457 D CB -0.712 40.072 40.800 -0.026 0.000 1.009 457 D HN 0.124 nan 8.370 nan 0.000 0.507 458 F N -0.131 119.803 119.950 -0.027 0.000 3.093 458 F HA -0.314 4.218 4.527 0.009 0.000 0.283 458 F C 1.318 177.127 175.800 0.014 0.000 0.848 458 F CA 1.039 59.034 58.000 -0.007 0.000 1.059 458 F CB -2.248 36.748 39.000 -0.007 0.000 1.191 458 F HN 0.106 nan 8.300 nan 0.000 0.514 459 M N -2.798 116.872 119.600 0.116 0.000 2.227 459 M HA 0.111 4.596 4.480 0.008 0.000 0.226 459 M C 0.817 177.143 176.300 0.043 0.000 1.423 459 M CA 0.668 56.021 55.300 0.088 0.000 1.055 459 M CB 0.694 33.349 32.600 0.092 0.000 1.572 459 M HN -0.042 nan 8.290 nan 0.000 0.567 460 T N 1.434 115.999 114.554 0.019 0.000 2.928 460 T HA 0.706 5.061 4.350 0.008 0.000 0.284 460 T C -0.760 173.924 174.700 -0.027 0.000 1.008 460 T CA -0.492 61.611 62.100 0.004 0.000 1.057 460 T CB 1.732 70.606 68.868 0.010 0.000 1.018 460 T HN 0.285 nan 8.240 nan 0.000 0.493 461 A N 2.295 125.107 122.820 -0.013 0.000 2.398 461 A HA 0.644 4.969 4.320 0.008 0.000 0.301 461 A C -1.188 176.395 177.584 -0.001 0.000 1.041 461 A CA -0.854 51.169 52.037 -0.023 0.000 0.711 461 A CB 1.103 20.100 19.000 -0.005 0.000 1.240 461 A HN 0.714 nan 8.150 nan 0.000 0.420 462 D N 2.674 123.056 120.400 -0.030 0.000 2.181 462 D HA 0.319 4.964 4.640 0.008 0.000 0.248 462 D C 0.105 176.423 176.300 0.029 0.000 1.020 462 D CA 0.007 53.992 54.000 -0.026 0.000 0.891 462 D CB 1.067 41.783 40.800 -0.140 0.000 1.187 462 D HN 0.698 nan 8.370 nan 0.000 0.443 463 W N 0.714 122.004 121.300 -0.016 0.000 2.264 463 W HA 0.427 5.092 4.660 0.008 0.000 0.331 463 W C -0.426 176.130 176.519 0.062 0.000 1.364 463 W CA -1.152 56.185 57.345 -0.013 0.000 1.253 463 W CB -0.309 29.107 29.460 -0.073 0.000 1.215 463 W HN 0.202 nan 8.180 nan 0.000 0.561 464 A N 6.166 129.128 122.820 0.237 0.000 2.492 464 A HA 0.164 4.489 4.320 0.008 0.000 0.254 464 A C 0.684 178.335 177.584 0.112 0.000 1.091 464 A CA -0.458 51.643 52.037 0.107 0.000 0.768 464 A CB 0.135 19.236 19.000 0.169 0.000 1.028 464 A HN 0.575 nan 8.150 nan 0.000 0.498 465 R N 3.471 123.869 120.500 -0.170 0.000 3.268 465 R HA 0.182 4.527 4.340 0.008 0.000 0.217 465 R C -0.496 175.808 176.300 0.007 0.000 1.568 465 R CA 0.161 56.162 56.100 -0.166 0.000 1.322 465 R CB -0.857 29.280 30.300 -0.271 0.000 1.280 465 R HN 0.663 nan 8.270 nan 0.000 0.667 466 L N 2.592 123.875 121.223 0.100 0.000 2.439 466 L HA 0.311 4.656 4.340 0.008 0.000 0.261 466 L C -1.655 175.271 176.870 0.095 0.000 1.153 466 L CA -1.976 52.900 54.840 0.060 0.000 0.808 466 L CB 0.141 42.234 42.059 0.056 0.000 1.126 466 L HN 0.050 nan 8.230 nan 0.000 0.460 467 P HA 0.062 nan 4.420 nan 0.000 0.267 467 P C 0.660 178.065 177.300 0.174 0.000 1.205 467 P CA -0.077 63.135 63.100 0.187 0.000 0.765 467 P CB 0.578 32.465 31.700 0.312 0.000 0.828 468 L N 1.761 123.062 121.223 0.131 0.000 2.131 468 L HA -0.159 4.186 4.340 0.008 0.000 0.210 468 L C 2.191 179.100 176.870 0.064 0.000 1.092 468 L CA 1.343 56.232 54.840 0.080 0.000 0.759 468 L CB -0.516 41.592 42.059 0.080 0.000 0.903 468 L HN 0.548 nan 8.230 nan 0.000 0.435 469 E N 0.466 120.749 120.200 0.139 0.000 2.110 469 E HA -0.261 4.094 4.350 0.008 0.000 0.193 469 E C 2.115 178.732 176.600 0.029 0.000 0.988 469 E CA 1.358 57.851 56.400 0.156 0.000 0.804 469 E CB -0.075 29.811 29.700 0.310 0.000 0.745 469 E HN 0.422 nan 8.360 nan 0.000 0.458 470 F N 1.212 121.049 119.950 -0.188 0.000 2.146 470 F HA -0.117 4.415 4.527 0.008 0.000 0.298 470 F C 2.137 177.714 175.800 -0.371 0.000 1.096 470 F CA 1.053 58.651 58.000 -0.669 0.000 1.275 470 F CB -0.316 38.286 39.000 -0.665 0.000 1.008 470 F HN -0.051 nan 8.300 nan 0.000 0.480 471 L N 0.130 121.168 121.223 -0.308 0.000 2.083 471 L HA -0.221 4.124 4.340 0.008 0.000 0.209 471 L C 2.160 178.828 176.870 -0.336 0.000 1.083 471 L CA 1.857 56.483 54.840 -0.356 0.000 0.752 471 L CB -0.858 41.069 42.059 -0.220 0.000 0.899 471 L HN 0.191 nan 8.230 nan 0.000 0.433 472 D N 0.018 120.281 120.400 -0.228 0.000 2.117 472 D HA -0.257 4.388 4.640 0.008 0.000 0.197 472 D C 2.120 178.294 176.300 -0.210 0.000 0.987 472 D CA 1.260 55.163 54.000 -0.162 0.000 0.829 472 D CB 0.151 40.907 40.800 -0.073 0.000 0.961 472 D HN 0.283 nan 8.370 nan 0.000 0.460 473 E N -0.601 119.419 120.200 -0.300 0.000 2.106 473 E HA -0.160 4.195 4.350 0.008 0.000 0.192 473 E C 1.970 178.362 176.600 -0.347 0.000 0.984 473 E CA 0.911 57.140 56.400 -0.286 0.000 0.806 473 E CB -0.157 29.355 29.700 -0.313 0.000 0.750 473 E HN 0.324 nan 8.360 nan 0.000 0.458 474 A N 1.251 123.742 122.820 -0.549 0.000 1.877 474 A HA -0.107 4.218 4.320 0.008 0.000 0.216 474 A C 2.408 179.837 177.584 -0.259 0.000 1.186 474 A CA 1.843 53.621 52.037 -0.432 0.000 0.620 474 A CB -0.835 17.837 19.000 -0.548 0.000 0.822 474 A HN 0.413 nan 8.150 nan 0.000 0.443 475 A N -0.386 122.287 122.820 -0.245 0.000 1.898 475 A HA -0.140 4.185 4.320 0.008 0.000 0.216 475 A C 2.267 179.780 177.584 -0.118 0.000 1.181 475 A CA 1.474 53.413 52.037 -0.164 0.000 0.620 475 A CB -0.451 18.467 19.000 -0.137 0.000 0.819 475 A HN 0.540 nan 8.150 nan 0.000 0.442 476 R N -1.253 119.178 120.500 -0.116 0.000 2.066 476 R HA -0.111 4.234 4.340 0.008 0.000 0.232 476 R C 2.463 178.723 176.300 -0.067 0.000 1.131 476 R CA 1.552 57.606 56.100 -0.077 0.000 0.955 476 R CB -0.274 29.987 30.300 -0.065 0.000 0.851 476 R HN 0.406 nan 8.270 nan 0.000 0.432 477 R N 1.262 121.711 120.500 -0.084 0.000 2.096 477 R HA -0.039 4.306 4.340 0.008 0.000 0.235 477 R C 1.978 178.248 176.300 -0.050 0.000 1.127 477 R CA 1.379 57.443 56.100 -0.059 0.000 0.968 477 R CB -0.433 29.827 30.300 -0.067 0.000 0.861 477 R HN 0.217 nan 8.270 nan 0.000 0.440 478 I N -0.190 120.340 120.570 -0.067 0.000 2.252 478 I HA -0.230 3.945 4.170 0.008 0.000 0.245 478 I C 1.895 177.986 176.117 -0.042 0.000 1.102 478 I CA 1.817 63.083 61.300 -0.057 0.000 1.385 478 I CB -0.498 37.452 38.000 -0.084 0.000 1.064 478 I HN 0.374 nan 8.210 nan 0.000 0.414 479 T N -1.643 112.885 114.554 -0.043 0.000 3.023 479 T HA -0.100 4.255 4.350 0.008 0.000 0.266 479 T C 1.950 176.640 174.700 -0.017 0.000 1.093 479 T CA 0.429 62.514 62.100 -0.026 0.000 1.129 479 T CB -0.186 68.666 68.868 -0.026 0.000 0.899 479 T HN 0.272 nan 8.240 nan 0.000 0.491 480 R N 1.156 121.643 120.500 -0.021 0.000 2.057 480 R HA 0.112 4.457 4.340 0.008 0.000 0.229 480 R C 2.632 178.926 176.300 -0.009 0.000 1.136 480 R CA 0.875 56.967 56.100 -0.013 0.000 0.952 480 R CB -0.040 30.251 30.300 -0.015 0.000 0.848 480 R HN 0.308 nan 8.270 nan 0.000 0.430 481 R N -0.463 120.031 120.500 -0.011 0.000 2.236 481 R HA 0.070 4.415 4.340 0.008 0.000 0.208 481 R C 0.005 176.302 176.300 -0.005 0.000 1.036 481 R CA 0.445 56.542 56.100 -0.006 0.000 1.001 481 R CB 0.606 30.902 30.300 -0.006 0.000 0.896 481 R HN 0.047 nan 8.270 nan 0.000 0.464 482 V N 1.850 121.760 119.914 -0.007 0.000 2.315 482 V HA 0.171 4.296 4.120 0.008 0.000 0.265 482 V C -1.988 174.110 176.094 0.007 0.000 1.019 482 V CA -1.308 60.989 62.300 -0.004 0.000 0.824 482 V CB 1.557 33.370 31.823 -0.015 0.000 1.072 482 V HN -0.063 nan 8.190 nan 0.000 0.448 483 P HA -0.209 nan 4.420 nan 0.000 0.218 483 P C 1.295 178.619 177.300 0.039 0.000 1.152 483 P CA 1.396 64.508 63.100 0.020 0.000 0.857 483 P CB 0.382 32.093 31.700 0.019 0.000 0.787 484 E N -1.079 119.158 120.200 0.061 0.000 2.333 484 E HA -0.056 4.299 4.350 0.008 0.000 0.198 484 E C 0.622 177.319 176.600 0.161 0.000 1.007 484 E CA 0.598 57.074 56.400 0.127 0.000 0.845 484 E CB -0.511 29.290 29.700 0.168 0.000 0.766 484 E HN 0.342 nan 8.360 nan 0.000 0.507 485 I N 0.025 120.647 120.570 0.088 0.000 2.339 485 I HA 0.282 4.457 4.170 0.008 0.000 0.290 485 I C 1.005 177.143 176.117 0.035 0.000 0.994 485 I CA -0.407 60.937 61.300 0.074 0.000 1.191 485 I CB 1.934 39.946 38.000 0.020 0.000 1.343 485 I HN -0.024 nan 8.210 nan 0.000 0.458 486 G N 5.513 114.332 108.800 0.032 0.000 3.377 486 G HA2 0.278 4.243 3.960 0.008 0.000 0.257 486 G HA3 0.278 4.243 3.960 0.008 0.000 0.257 486 G C 0.277 175.177 174.900 -0.000 0.000 1.038 486 G CA -0.122 44.984 45.100 0.010 0.000 0.809 486 G HN 0.497 nan 8.290 nan 0.000 0.526 487 R N -0.358 120.142 120.500 -0.000 0.000 2.536 487 R HA 0.527 4.872 4.340 0.008 0.000 0.269 487 R C -1.903 174.384 176.300 -0.023 0.000 1.113 487 R CA -0.272 55.823 56.100 -0.009 0.000 0.948 487 R CB 2.204 32.504 30.300 0.000 0.000 1.237 487 R HN -0.058 nan 8.270 nan 0.000 0.441 488 V N 5.051 124.943 119.914 -0.037 0.000 2.588 488 V HA 0.652 4.777 4.120 0.008 0.000 0.304 488 V C -0.417 175.653 176.094 -0.040 0.000 1.042 488 V CA -0.670 61.593 62.300 -0.062 0.000 0.877 488 V CB 1.818 33.583 31.823 -0.098 0.000 0.996 488 V HN 0.599 nan 8.190 nan 0.000 0.425 489 V N 1.994 121.890 119.914 -0.030 0.000 3.074 489 V HA 0.727 4.852 4.120 0.008 0.000 0.314 489 V C -1.520 174.622 176.094 0.080 0.000 1.117 489 V CA -0.940 61.374 62.300 0.023 0.000 1.014 489 V CB 2.155 34.001 31.823 0.038 0.000 1.057 489 V HN 0.712 nan 8.190 nan 0.000 0.438 490 Y N 1.204 121.474 120.300 -0.050 0.000 2.393 490 Y HA 0.599 5.154 4.550 0.008 0.000 0.341 490 Y C -0.207 175.678 175.900 -0.025 0.000 0.988 490 Y CA -1.162 56.918 58.100 -0.034 0.000 1.078 490 Y CB 1.613 40.067 38.460 -0.010 0.000 1.203 490 Y HN 0.955 nan 8.280 nan 0.000 0.453 491 D N 4.828 124.932 120.400 -0.493 0.000 2.343 491 D HA 0.112 4.757 4.640 0.008 0.000 0.255 491 D C -0.144 175.717 176.300 -0.731 0.000 1.187 491 D CA 0.177 53.951 54.000 -0.377 0.000 0.875 491 D CB 1.057 41.825 40.800 -0.053 0.000 1.136 491 D HN 0.573 nan 8.370 nan 0.000 0.469 492 L N 3.438 124.250 121.223 -0.686 0.000 2.700 492 L HA 0.154 4.499 4.340 0.008 0.000 0.234 492 L C 0.453 176.831 176.870 -0.819 0.000 1.156 492 L CA 0.243 54.361 54.840 -1.204 0.000 0.946 492 L CB -0.190 41.281 42.059 -0.981 0.000 1.216 492 L HN 0.285 nan 8.230 nan 0.000 0.493 493 T N -1.132 113.189 114.554 -0.388 0.000 2.767 493 T HA 0.466 4.821 4.350 0.008 0.000 0.288 493 T C 0.671 175.371 174.700 0.000 0.000 0.963 493 T CA -0.260 61.735 62.100 -0.175 0.000 1.019 493 T CB 1.596 70.345 68.868 -0.199 0.000 0.923 493 T HN -0.021 nan 8.240 nan 0.000 0.468 494 S N 1.956 117.714 115.700 0.097 0.000 2.713 494 S HA 0.480 4.955 4.470 0.008 0.000 0.277 494 S C 0.058 174.688 174.600 0.049 0.000 1.168 494 S CA -0.923 57.356 58.200 0.132 0.000 0.994 494 S CB 0.817 64.125 63.200 0.179 0.000 1.054 494 S HN 0.676 nan 8.310 nan 0.000 0.555 495 K N 2.403 122.830 120.400 0.044 0.000 2.425 495 K HA 0.378 4.703 4.320 0.008 0.000 0.259 495 K C -2.704 173.910 176.600 0.023 0.000 0.978 495 K CA -2.099 54.201 56.287 0.021 0.000 0.883 495 K CB 1.094 33.605 32.500 0.019 0.000 1.110 495 K HN 0.300 nan 8.250 nan 0.000 0.436 496 P HA 0.183 nan 4.420 nan 0.000 0.277 496 P C -2.247 175.060 177.300 0.011 0.000 1.271 496 P CA -1.082 62.023 63.100 0.009 0.000 0.795 496 P CB 0.699 32.403 31.700 0.008 0.000 1.101 497 P HA 0.104 nan 4.420 nan 0.000 0.245 497 P C 0.355 177.629 177.300 -0.044 0.000 1.206 497 P CA 0.625 63.710 63.100 -0.025 0.000 0.781 497 P CB 0.275 31.954 31.700 -0.034 0.000 0.994 498 A N 0.248 123.037 122.820 -0.053 0.000 2.282 498 A HA 0.651 4.976 4.320 0.008 0.000 0.324 498 A C 0.307 177.864 177.584 -0.044 0.000 1.119 498 A CA -0.239 51.751 52.037 -0.078 0.000 0.880 498 A CB 0.308 19.224 19.000 -0.141 0.000 1.294 498 A HN 0.140 nan 8.150 nan 0.000 0.493 499 T N -1.229 113.297 114.554 -0.046 0.000 2.881 499 T HA 0.459 4.814 4.350 0.008 0.000 0.278 499 T C 1.135 175.851 174.700 0.027 0.000 0.982 499 T CA -0.662 61.434 62.100 -0.006 0.000 0.989 499 T CB 0.417 69.285 68.868 -0.001 0.000 1.058 499 T HN 0.295 nan 8.240 nan 0.000 0.529 500 I N -0.033 120.566 120.570 0.049 0.000 2.133 500 I HA -0.010 4.165 4.170 0.008 0.000 0.238 500 I C 1.506 177.712 176.117 0.148 0.000 1.074 500 I CA 1.293 62.641 61.300 0.081 0.000 1.342 500 I CB -1.202 36.832 38.000 0.056 0.000 1.053 500 I HN 0.687 nan 8.210 nan 0.000 0.404 501 E N -0.201 120.073 120.200 0.123 0.000 2.392 501 E HA -0.107 4.248 4.350 0.008 0.000 0.259 501 E C 0.523 177.295 176.600 0.288 0.000 1.108 501 E CA -0.195 56.306 56.400 0.168 0.000 0.916 501 E CB 0.574 30.316 29.700 0.069 0.000 0.989 501 E HN 0.259 nan 8.360 nan 0.000 0.432 502 W N 0.829 122.110 121.300 -0.031 0.000 3.139 502 W HA 0.034 4.699 4.660 0.008 0.000 0.260 502 W C 0.890 177.391 176.519 -0.031 0.000 1.312 502 W CA 0.147 57.473 57.345 -0.032 0.000 1.606 502 W CB 0.359 29.801 29.460 -0.030 0.000 1.118 502 W HN 0.570 nan 8.180 nan 0.000 0.675 503 E N 0.000 120.302 120.200 0.171 0.000 2.725 503 E HA 0.000 4.355 4.350 0.008 0.000 0.291 503 E CA 0.000 56.449 56.400 0.082 0.000 0.976 503 E CB 0.000 29.750 29.700 0.083 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440