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 3a50_1_C DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.562 177.584 -0.037 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 L N 0.484 121.675 121.223 -0.053 0.000 2.322 3 L HA 0.760 5.100 4.340 0.000 0.000 0.279 3 L C 0.197 177.016 176.870 -0.084 0.000 1.036 3 L CA -0.338 54.460 54.840 -0.070 0.000 0.807 3 L CB 1.895 43.908 42.059 -0.078 0.000 1.226 3 L HN 0.810 nan 8.230 nan 0.000 0.433 4 T N 0.215 114.727 114.554 -0.070 0.000 2.900 4 T HA 0.374 4.724 4.350 0.000 0.000 0.303 4 T C -0.470 174.205 174.700 -0.040 0.000 1.142 4 T CA -0.533 61.532 62.100 -0.059 0.000 1.007 4 T CB 1.417 70.254 68.868 -0.052 0.000 1.156 4 T HN 0.710 nan 8.240 nan 0.000 0.490 5 T N 1.418 115.964 114.554 -0.012 0.000 2.926 5 T HA 0.357 4.707 4.350 0.000 0.000 0.307 5 T C 0.459 175.161 174.700 0.002 0.000 1.059 5 T CA -0.264 61.846 62.100 0.016 0.000 1.122 5 T CB 0.636 69.554 68.868 0.083 0.000 0.972 5 T HN 0.491 nan 8.240 nan 0.000 0.545 6 T N 1.996 116.555 114.554 0.008 0.000 2.909 6 T HA 0.645 4.995 4.350 0.000 0.000 0.286 6 T C 0.699 175.408 174.700 0.015 0.000 1.002 6 T CA 0.882 62.984 62.100 0.003 0.000 1.074 6 T CB 0.246 69.115 68.868 0.002 0.000 0.984 6 T HN 1.369 nan 8.240 nan 0.000 0.495 7 G N 1.964 110.768 108.800 0.007 0.000 2.337 7 G HA2 -0.157 3.803 3.960 0.000 0.000 0.197 7 G HA3 -0.157 3.803 3.960 0.000 0.000 0.197 7 G C 1.021 175.921 174.900 0.001 0.000 1.238 7 G CA 0.760 45.867 45.100 0.012 0.000 1.119 7 G HN 0.976 nan 8.290 nan 0.000 0.514 8 T N -0.936 113.622 114.554 0.008 0.000 2.708 8 T HA 0.113 4.463 4.350 0.000 0.000 0.266 8 T C 0.877 175.560 174.700 -0.029 0.000 1.037 8 T CA 2.226 64.324 62.100 -0.003 0.000 1.146 8 T CB -0.247 68.627 68.868 0.010 0.000 0.865 8 T HN 0.621 nan 8.240 nan 0.000 0.435 9 E N 1.180 121.362 120.200 -0.029 0.000 2.216 9 E HA 0.419 4.769 4.350 0.000 0.000 0.279 9 E C -0.974 175.516 176.600 -0.183 0.000 0.997 9 E CA -0.439 55.883 56.400 -0.132 0.000 0.817 9 E CB 1.345 31.003 29.700 -0.070 0.000 1.096 9 E HN 0.278 nan 8.360 nan 0.000 0.393 10 Q N 2.536 122.162 119.800 -0.290 0.000 2.509 10 Q HA 0.169 4.509 4.340 0.000 0.000 0.236 10 Q C -1.252 174.559 176.000 -0.314 0.000 1.073 10 Q CA -0.213 55.460 55.803 -0.217 0.000 0.867 10 Q CB 0.380 29.037 28.738 -0.135 0.000 1.181 10 Q HN 0.406 nan 8.270 nan 0.000 0.526 11 H N 1.183 120.224 119.070 -0.048 0.000 2.467 11 H HA 0.207 4.763 4.556 0.000 0.000 0.326 11 H C -0.551 174.724 175.328 -0.089 0.000 1.094 11 H CA -0.768 55.240 56.048 -0.065 0.000 1.253 11 H CB 1.225 30.946 29.762 -0.068 0.000 1.439 11 H HN 0.469 nan 8.280 nan 0.000 0.479 12 D N 2.933 123.345 120.400 0.020 0.000 2.533 12 D HA 0.029 4.669 4.640 0.000 0.000 0.236 12 D C 0.169 176.370 176.300 -0.166 0.000 1.137 12 D CA 0.472 54.429 54.000 -0.073 0.000 0.867 12 D CB 0.827 41.581 40.800 -0.076 0.000 1.170 12 D HN 0.293 nan 8.370 nan 0.000 0.474 13 L N 3.066 124.087 121.223 -0.338 0.000 2.325 13 L HA 0.270 4.610 4.340 0.000 0.000 0.281 13 L C 0.037 176.383 176.870 -0.874 0.000 1.004 13 L CA -0.892 53.467 54.840 -0.802 0.000 0.823 13 L CB 0.902 42.699 42.059 -0.436 0.000 1.236 13 L HN 0.388 nan 8.230 nan 0.000 0.415 14 F N 1.247 120.192 119.950 -1.674 0.000 3.090 14 F HA -0.298 4.229 4.527 0.000 0.000 0.282 14 F C 0.519 175.960 175.800 -0.598 0.000 0.923 14 F CA 0.974 58.252 58.000 -1.203 0.000 0.977 14 F CB -1.944 36.673 39.000 -0.638 0.000 0.954 14 F HN 0.622 nan 8.300 nan 0.000 0.695 15 S N -2.783 112.567 115.700 -0.584 0.000 2.611 15 S HA 0.696 5.166 4.470 0.000 0.000 0.270 15 S C 0.318 174.810 174.600 -0.181 0.000 1.131 15 S CA -0.273 57.857 58.200 -0.117 0.000 0.826 15 S CB 1.381 64.571 63.200 -0.017 0.000 1.095 15 S HN 1.735 nan 8.310 nan 0.000 0.461 16 G N 2.021 110.854 108.800 0.054 0.000 2.685 16 G HA2 -0.403 3.557 3.960 0.000 0.000 0.329 16 G HA3 -0.403 3.557 3.960 0.000 0.000 0.329 16 G C 1.181 176.094 174.900 0.021 0.000 1.271 16 G CA 2.203 47.336 45.100 0.054 0.000 1.003 16 G HN 2.348 nan 8.290 nan 0.000 0.549 17 T N -1.411 113.132 114.554 -0.019 0.000 2.977 17 T HA 0.028 4.378 4.350 0.000 0.000 0.271 17 T C 2.066 176.684 174.700 -0.136 0.000 1.105 17 T CA 1.903 63.982 62.100 -0.035 0.000 1.116 17 T CB -0.195 68.659 68.868 -0.024 0.000 0.878 17 T HN 0.748 nan 8.240 nan 0.000 0.509 18 F N 1.061 120.746 119.950 -0.442 0.000 2.120 18 F HA -0.048 4.480 4.527 0.000 0.000 0.300 18 F C 1.837 177.272 175.800 -0.607 0.000 1.095 18 F CA 1.143 58.737 58.000 -0.678 0.000 1.249 18 F CB -0.472 37.931 39.000 -0.994 0.000 0.995 18 F HN 0.188 nan 8.300 nan 0.000 0.480 19 W N -0.047 121.204 121.300 -0.081 0.000 2.363 19 W HA -0.192 4.468 4.660 0.000 0.000 0.296 19 W C 2.542 178.866 176.519 -0.324 0.000 1.212 19 W CA 0.832 58.095 57.345 -0.136 0.000 1.260 19 W CB -0.718 28.776 29.460 0.058 0.000 1.131 19 W HN 0.078 nan 8.180 nan 0.000 0.530 20 Q N 0.654 120.430 119.800 -0.039 0.000 2.137 20 Q HA -0.094 4.246 4.340 0.000 0.000 0.198 20 Q C 0.078 175.865 176.000 -0.356 0.000 0.960 20 Q CA 1.236 56.991 55.803 -0.080 0.000 0.847 20 Q CB -0.058 28.718 28.738 0.063 0.000 0.915 20 Q HN 0.032 nan 8.270 nan 0.000 0.448 21 N N -0.742 117.717 118.700 -0.402 0.000 2.629 21 N HA 0.192 4.932 4.740 0.000 0.000 0.277 21 N C -2.640 172.449 175.510 -0.702 0.000 1.188 21 N CA -1.415 51.367 53.050 -0.447 0.000 0.835 21 N CB 1.735 40.095 38.487 -0.212 0.000 1.420 21 N HN -0.087 nan 8.380 nan 0.000 0.542 22 P HA 0.033 nan 4.420 nan 0.000 0.240 22 P C 0.759 177.250 177.300 -1.349 0.000 1.190 22 P CA 0.668 62.693 63.100 -1.792 0.000 0.781 22 P CB 0.329 30.625 31.700 -2.340 0.000 0.931 23 H N 0.770 119.459 119.070 -0.635 0.000 2.353 23 H HA 0.010 4.567 4.556 0.000 0.000 0.300 23 H C -0.559 174.602 175.328 -0.278 0.000 1.090 23 H CA 1.702 57.564 56.048 -0.309 0.000 1.327 23 H CB -2.069 27.567 29.762 -0.210 0.000 1.383 23 H HN 0.275 nan 8.280 nan 0.000 0.508 24 P HA -0.051 nan 4.420 nan 0.000 0.217 24 P C 1.611 178.549 177.300 -0.603 0.000 1.150 24 P CA 1.605 64.454 63.100 -0.418 0.000 0.832 24 P CB -0.092 31.279 31.700 -0.549 0.000 0.787 25 A N -1.268 121.182 122.820 -0.618 0.000 1.908 25 A HA -0.238 4.082 4.320 0.000 0.000 0.218 25 A C 2.011 179.530 177.584 -0.108 0.000 1.181 25 A CA 1.543 53.376 52.037 -0.339 0.000 0.627 25 A CB -1.888 16.995 19.000 -0.195 0.000 0.818 25 A HN 0.098 nan 8.150 nan 0.000 0.445 26 Y N -0.198 120.041 120.300 -0.101 0.000 2.200 26 Y HA -0.048 4.502 4.550 0.000 0.000 0.290 26 Y C 2.980 178.876 175.900 -0.007 0.000 1.137 26 Y CA 0.268 58.351 58.100 -0.028 0.000 1.163 26 Y CB -1.176 37.264 38.460 -0.034 0.000 0.988 26 Y HN 0.326 nan 8.280 nan 0.000 0.518 27 A N 0.102 122.999 122.820 0.128 0.000 1.908 27 A HA -0.167 4.153 4.320 0.000 0.000 0.218 27 A C 2.503 180.130 177.584 0.071 0.000 1.181 27 A CA 2.185 54.270 52.037 0.080 0.000 0.627 27 A CB -1.208 17.813 19.000 0.035 0.000 0.818 27 A HN 0.390 nan 8.150 nan 0.000 0.445 28 A N -0.547 122.304 122.820 0.051 0.000 1.930 28 A HA 0.057 4.377 4.320 0.000 0.000 0.217 28 A C 2.163 179.804 177.584 0.095 0.000 1.175 28 A CA 1.347 53.439 52.037 0.093 0.000 0.627 28 A CB -0.499 18.603 19.000 0.170 0.000 0.815 28 A HN 0.474 nan 8.150 nan 0.000 0.443 29 L N -1.185 120.100 121.223 0.103 0.000 2.005 29 L HA -0.157 4.183 4.340 0.000 0.000 0.207 29 L C 2.844 179.774 176.870 0.099 0.000 1.072 29 L CA 1.354 56.258 54.840 0.107 0.000 0.744 29 L CB -0.542 41.601 42.059 0.139 0.000 0.895 29 L HN 0.325 nan 8.230 nan 0.000 0.433 30 R N -0.045 120.518 120.500 0.105 0.000 2.103 30 R HA -0.206 4.134 4.340 0.000 0.000 0.242 30 R C 2.335 178.685 176.300 0.084 0.000 1.142 30 R CA 1.655 57.811 56.100 0.094 0.000 0.960 30 R CB -0.480 29.880 30.300 0.100 0.000 0.858 30 R HN 0.404 nan 8.270 nan 0.000 0.439 31 A N 0.813 123.680 122.820 0.080 0.000 1.898 31 A HA -0.119 4.201 4.320 0.000 0.000 0.214 31 A C 1.564 179.187 177.584 0.065 0.000 1.183 31 A CA 1.166 53.244 52.037 0.070 0.000 0.622 31 A CB 0.024 19.064 19.000 0.066 0.000 0.824 31 A HN 0.342 nan 8.150 nan 0.000 0.444 32 E N -2.065 118.176 120.200 0.068 0.000 2.485 32 E HA 0.090 4.440 4.350 0.000 0.000 0.213 32 E C -0.705 175.932 176.600 0.062 0.000 0.923 32 E CA 0.151 56.587 56.400 0.060 0.000 1.054 32 E CB 0.642 30.375 29.700 0.055 0.000 1.077 32 E HN 0.324 nan 8.360 nan 0.000 0.509 33 D N 0.458 120.901 120.400 0.071 0.000 3.285 33 D HA 0.078 4.718 4.640 0.000 0.000 0.273 33 D C -2.131 174.223 176.300 0.089 0.000 1.295 33 D CA -1.338 52.707 54.000 0.075 0.000 0.762 33 D CB 1.011 41.847 40.800 0.061 0.000 1.379 33 D HN -0.106 nan 8.370 nan 0.000 0.612 34 P HA 0.006 nan 4.420 nan 0.000 0.233 34 P C 0.270 177.628 177.300 0.097 0.000 1.167 34 P CA 0.344 63.498 63.100 0.090 0.000 0.770 34 P CB 0.736 32.487 31.700 0.086 0.000 0.837 35 V N 1.152 121.146 119.914 0.134 0.000 2.383 35 V HA 0.306 4.426 4.120 0.000 0.000 0.264 35 V C 0.057 176.322 176.094 0.286 0.000 1.001 35 V CA -0.754 61.666 62.300 0.200 0.000 0.828 35 V CB 0.889 32.830 31.823 0.197 0.000 1.069 35 V HN -0.067 nan 8.190 nan 0.000 0.451 36 R N 3.213 123.829 120.500 0.194 0.000 2.255 36 R HA 0.397 4.737 4.340 0.000 0.000 0.326 36 R C -0.134 176.092 176.300 -0.123 0.000 0.986 36 R CA -0.348 55.785 56.100 0.055 0.000 0.847 36 R CB 0.877 31.197 30.300 0.032 0.000 1.111 36 R HN 0.504 nan 8.270 nan 0.000 0.452 37 K N 6.082 126.172 120.400 -0.516 0.000 2.310 37 K HA 0.156 4.476 4.320 0.000 0.000 0.290 37 K C -0.855 175.441 176.600 -0.507 0.000 1.077 37 K CA -0.217 55.470 56.287 -1.000 0.000 0.922 37 K CB 0.253 31.819 32.500 -1.557 0.000 1.057 37 K HN 0.606 nan 8.250 nan 0.000 0.479 38 L N 3.452 124.442 121.223 -0.388 0.000 2.292 38 L HA 0.308 4.648 4.340 0.000 0.000 0.284 38 L C 0.378 177.107 176.870 -0.237 0.000 1.065 38 L CA -0.697 53.995 54.840 -0.246 0.000 0.806 38 L CB 1.591 43.529 42.059 -0.202 0.000 1.175 38 L HN 0.622 nan 8.230 nan 0.000 0.431 39 A N 6.139 128.853 122.820 -0.176 0.000 2.805 39 A HA 0.500 4.820 4.320 0.000 0.000 0.301 39 A C -0.063 177.457 177.584 -0.107 0.000 1.557 39 A CA -0.222 51.735 52.037 -0.134 0.000 1.254 39 A CB -0.533 18.405 19.000 -0.103 0.000 1.114 39 A HN 0.633 nan 8.150 nan 0.000 0.553 40 L N 2.304 123.458 121.223 -0.116 0.000 2.365 40 L HA 0.351 4.691 4.340 0.000 0.000 0.267 40 L C -1.240 175.598 176.870 -0.055 0.000 1.033 40 L CA -2.212 52.569 54.840 -0.098 0.000 0.802 40 L CB 1.081 43.048 42.059 -0.153 0.000 1.267 40 L HN 0.321 nan 8.230 nan 0.000 0.457 41 P HA -0.167 nan 4.420 nan 0.000 0.214 41 P C 0.362 177.658 177.300 -0.006 0.000 1.163 41 P CA 1.286 64.382 63.100 -0.007 0.000 0.889 41 P CB 0.160 31.866 31.700 0.010 0.000 0.790 42 D N -1.428 118.971 120.400 -0.003 0.000 2.349 42 D HA 0.270 4.910 4.640 0.000 0.000 0.224 42 D C 1.190 177.496 176.300 0.010 0.000 1.029 42 D CA 0.830 54.837 54.000 0.012 0.000 0.879 42 D CB 0.071 40.890 40.800 0.032 0.000 0.906 42 D HN 0.237 nan 8.370 nan 0.000 0.528 43 G N 0.462 109.255 108.800 -0.012 0.000 2.359 43 G HA2 0.085 4.045 3.960 0.000 0.000 0.314 43 G HA3 0.085 4.045 3.960 0.000 0.000 0.314 43 G C -3.049 171.820 174.900 -0.051 0.000 1.364 43 G CA -1.136 43.955 45.100 -0.015 0.000 0.978 43 G HN -0.215 nan 8.290 nan 0.000 0.615 44 P HA 0.453 nan 4.420 nan 0.000 0.271 44 P C -0.389 176.844 177.300 -0.112 0.000 1.220 44 P CA -0.056 62.962 63.100 -0.137 0.000 0.768 44 P CB 1.429 33.036 31.700 -0.154 0.000 0.848 45 V N 4.340 124.142 119.914 -0.186 0.000 2.487 45 V HA 0.293 4.413 4.120 0.000 0.000 0.298 45 V C -0.276 175.714 176.094 -0.173 0.000 1.028 45 V CA -0.587 61.644 62.300 -0.115 0.000 0.860 45 V CB 1.171 32.907 31.823 -0.144 0.000 0.991 45 V HN 0.496 nan 8.190 nan 0.000 0.427 46 W N 4.595 125.832 121.300 -0.104 0.000 2.251 46 W HA 0.651 5.311 4.660 0.000 0.000 0.329 46 W C -0.255 176.197 176.519 -0.112 0.000 1.234 46 W CA -0.361 56.929 57.345 -0.091 0.000 1.228 46 W CB 0.806 30.215 29.460 -0.084 0.000 1.135 46 W HN 0.394 nan 8.180 nan 0.000 0.576 47 L N 3.744 125.055 121.223 0.147 0.000 2.406 47 L HA 0.522 4.862 4.340 0.000 0.000 0.272 47 L C -1.497 175.404 176.870 0.052 0.000 0.980 47 L CA -0.769 54.110 54.840 0.066 0.000 0.831 47 L CB 0.801 42.914 42.059 0.090 0.000 1.253 47 L HN 0.188 nan 8.230 nan 0.000 0.406 48 L N 4.354 125.551 121.223 -0.045 0.000 2.275 48 L HA 0.579 4.919 4.340 0.000 0.000 0.288 48 L C 1.213 178.034 176.870 -0.081 0.000 1.046 48 L CA 0.335 55.118 54.840 -0.093 0.000 0.805 48 L CB 1.541 43.447 42.059 -0.255 0.000 1.193 48 L HN 0.840 nan 8.230 nan 0.000 0.426 49 T N -1.235 113.300 114.554 -0.030 0.000 2.955 49 T HA 0.261 4.611 4.350 0.000 0.000 0.251 49 T C 0.943 175.643 174.700 -0.000 0.000 1.002 49 T CA -0.319 61.767 62.100 -0.024 0.000 0.970 49 T CB 0.103 68.994 68.868 0.037 0.000 1.091 49 T HN 0.282 nan 8.240 nan 0.000 0.495 50 R N 0.704 121.217 120.500 0.021 0.000 2.438 50 R HA 0.312 4.652 4.340 0.000 0.000 0.287 50 R C 0.756 177.091 176.300 0.059 0.000 1.077 50 R CA -0.408 55.734 56.100 0.070 0.000 1.034 50 R CB 0.377 30.730 30.300 0.088 0.000 0.993 50 R HN 0.227 nan 8.270 nan 0.000 0.459 51 Y N 3.109 123.401 120.300 -0.013 0.000 2.114 51 Y HA -0.333 4.217 4.550 -0.000 0.000 0.282 51 Y C 2.011 177.860 175.900 -0.086 0.000 1.165 51 Y CA 2.312 60.361 58.100 -0.084 0.000 1.148 51 Y CB -0.159 38.252 38.460 -0.081 0.000 0.972 51 Y HN 0.764 nan 8.280 nan 0.000 0.504 52 A N 0.056 122.983 122.820 0.178 0.000 1.902 52 A HA -0.193 4.127 4.320 0.000 0.000 0.217 52 A C 1.937 179.534 177.584 0.021 0.000 1.181 52 A CA 1.999 54.099 52.037 0.105 0.000 0.623 52 A CB -0.888 18.210 19.000 0.163 0.000 0.818 52 A HN 0.556 nan 8.150 nan 0.000 0.443 53 D N -0.290 120.137 120.400 0.046 0.000 2.097 53 D HA -0.106 4.534 4.640 0.000 0.000 0.195 53 D C 2.085 178.295 176.300 -0.149 0.000 0.989 53 D CA 1.450 55.486 54.000 0.060 0.000 0.827 53 D CB -0.543 40.273 40.800 0.027 0.000 0.966 53 D HN 0.194 nan 8.370 nan 0.000 0.456 54 V N 0.826 120.609 119.914 -0.218 0.000 2.295 54 V HA -0.216 3.904 4.120 0.000 0.000 0.246 54 V C 2.585 178.560 176.094 -0.198 0.000 1.049 54 V CA 1.503 63.622 62.300 -0.301 0.000 1.024 54 V CB -0.346 31.313 31.823 -0.273 0.000 0.648 54 V HN 0.146 nan 8.190 nan 0.000 0.447 55 R N -0.451 119.892 120.500 -0.262 0.000 2.073 55 R HA -0.208 4.133 4.340 0.000 0.000 0.234 55 R C 2.463 178.814 176.300 0.085 0.000 1.134 55 R CA 1.955 57.947 56.100 -0.179 0.000 0.952 55 R CB -0.299 29.677 30.300 -0.540 0.000 0.850 55 R HN 0.649 nan 8.270 nan 0.000 0.433 56 E N -0.025 120.209 120.200 0.057 0.000 2.077 56 E HA -0.180 4.170 4.350 0.000 0.000 0.193 56 E C 1.782 178.481 176.600 0.165 0.000 0.989 56 E CA 1.169 57.660 56.400 0.152 0.000 0.800 56 E CB -0.042 29.778 29.700 0.200 0.000 0.746 56 E HN 0.364 nan 8.360 nan 0.000 0.452 57 A N 0.604 123.447 122.820 0.038 0.000 1.908 57 A HA -0.177 4.143 4.320 0.000 0.000 0.218 57 A C 1.988 179.526 177.584 -0.077 0.000 1.181 57 A CA 1.264 53.226 52.037 -0.125 0.000 0.627 57 A CB -1.091 17.596 19.000 -0.521 0.000 0.818 57 A HN 0.410 nan 8.150 nan 0.000 0.445 58 F N -0.185 119.755 119.950 -0.016 0.000 2.192 58 F HA -0.194 4.333 4.527 0.000 0.000 0.301 58 F C 1.976 177.787 175.800 0.018 0.000 1.079 58 F CA 1.564 59.578 58.000 0.022 0.000 1.303 58 F CB 0.182 39.240 39.000 0.097 0.000 1.024 58 F HN 0.212 nan 8.300 nan 0.000 0.494 59 V N -4.099 115.945 119.914 0.217 0.000 3.427 59 V HA 0.179 4.299 4.120 0.000 0.000 0.305 59 V C -0.092 176.050 176.094 0.080 0.000 1.412 59 V CA -0.318 62.043 62.300 0.101 0.000 1.086 59 V CB -0.249 31.604 31.823 0.050 0.000 0.964 59 V HN -0.032 nan 8.190 nan 0.000 0.439 60 D N 3.374 123.829 120.400 0.092 0.000 2.352 60 D HA 0.263 4.903 4.640 0.000 0.000 0.245 60 D C -1.000 175.327 176.300 0.046 0.000 1.224 60 D CA -2.128 51.917 54.000 0.076 0.000 0.879 60 D CB 1.896 42.776 40.800 0.133 0.000 1.057 60 D HN 0.223 nan 8.370 nan 0.000 0.491 61 P HA -0.109 nan 4.420 nan 0.000 0.225 61 P C 0.855 178.158 177.300 0.005 0.000 1.148 61 P CA 0.624 63.738 63.100 0.024 0.000 0.779 61 P CB 0.334 32.045 31.700 0.018 0.000 0.780 62 R N -0.661 119.834 120.500 -0.008 0.000 2.235 62 R HA 0.110 4.450 4.340 0.000 0.000 0.213 62 R C 0.920 177.184 176.300 -0.059 0.000 1.059 62 R CA 0.310 56.382 56.100 -0.047 0.000 0.997 62 R CB -0.420 29.855 30.300 -0.041 0.000 0.884 62 R HN 0.240 nan 8.270 nan 0.000 0.462 63 L N 1.639 122.849 121.223 -0.022 0.000 2.315 63 L HA 0.181 4.521 4.340 0.000 0.000 0.278 63 L C 0.088 176.966 176.870 0.014 0.000 1.088 63 L CA -0.384 54.437 54.840 -0.033 0.000 0.899 63 L CB 1.248 43.264 42.059 -0.072 0.000 1.277 63 L HN -0.011 nan 8.230 nan 0.000 0.431 64 S N 1.647 117.383 115.700 0.061 0.000 2.687 64 S HA 0.349 4.819 4.470 0.000 0.000 0.283 64 S C 0.966 175.734 174.600 0.280 0.000 1.170 64 S CA -0.654 57.644 58.200 0.163 0.000 1.008 64 S CB 1.160 64.469 63.200 0.183 0.000 1.026 64 S HN 0.443 nan 8.310 nan 0.000 0.541 65 K N 1.247 121.804 120.400 0.262 0.000 2.404 65 K HA 0.168 4.488 4.320 0.000 0.000 0.194 65 K C -0.266 176.542 176.600 0.346 0.000 1.023 65 K CA 0.084 56.543 56.287 0.287 0.000 1.094 65 K CB -0.259 32.285 32.500 0.072 0.000 0.841 65 K HN 0.577 nan 8.250 nan 0.000 0.523 66 D N 1.280 121.853 120.400 0.288 0.000 2.352 66 D HA -0.047 4.593 4.640 0.000 0.000 0.245 66 D C 1.114 177.289 176.300 -0.209 0.000 1.224 66 D CA -0.427 53.627 54.000 0.090 0.000 0.879 66 D CB 0.399 41.239 40.800 0.068 0.000 1.057 66 D HN 0.097 nan 8.370 nan 0.000 0.491 67 W N 5.264 126.076 121.300 -0.812 0.000 2.611 67 W HA -0.012 4.648 4.660 0.000 0.000 0.251 67 W C 0.992 177.068 176.519 -0.739 0.000 1.265 67 W CA -0.057 56.419 57.345 -1.448 0.000 1.295 67 W CB -0.994 27.968 29.460 -0.829 0.000 1.129 67 W HN 0.375 nan 8.180 nan 0.000 0.630 68 R N -0.053 120.270 120.500 -0.296 0.000 2.237 68 R HA -0.116 4.224 4.340 0.000 0.000 0.219 68 R C 1.664 177.775 176.300 -0.314 0.000 1.080 68 R CA 1.490 57.367 56.100 -0.371 0.000 0.995 68 R CB -0.761 29.379 30.300 -0.267 0.000 0.875 68 R HN 0.375 nan 8.270 nan 0.000 0.462 69 H N -0.153 118.823 119.070 -0.156 0.000 2.518 69 H HA -0.017 4.539 4.556 0.000 0.000 0.289 69 H C 1.796 177.111 175.328 -0.022 0.000 1.051 69 H CA 0.899 56.916 56.048 -0.050 0.000 1.280 69 H CB 0.138 29.926 29.762 0.043 0.000 1.380 69 H HN 0.097 nan 8.280 nan 0.000 0.566 70 R N 0.133 120.644 120.500 0.018 0.000 2.148 70 R HA -0.000 4.340 4.340 0.000 0.000 0.227 70 R C 0.099 176.385 176.300 -0.024 0.000 1.103 70 R CA 0.513 56.634 56.100 0.035 0.000 0.983 70 R CB 0.069 30.367 30.300 -0.004 0.000 0.874 70 R HN 0.227 nan 8.270 nan 0.000 0.451 71 L N 1.867 123.036 121.223 -0.090 0.000 2.375 71 L HA 0.347 4.687 4.340 0.000 0.000 0.268 71 L C -2.019 174.819 176.870 -0.055 0.000 1.058 71 L CA -2.485 52.297 54.840 -0.097 0.000 0.803 71 L CB 0.763 42.724 42.059 -0.163 0.000 1.212 71 L HN -0.118 nan 8.230 nan 0.000 0.451 72 P HA 0.022 nan 4.420 nan 0.000 0.272 72 P C 0.054 177.328 177.300 -0.042 0.000 1.223 72 P CA -0.253 62.830 63.100 -0.030 0.000 0.784 72 P CB 1.069 32.753 31.700 -0.027 0.000 0.923 73 E N 2.213 122.396 120.200 -0.028 0.000 2.147 73 E HA -0.275 4.075 4.350 0.000 0.000 0.199 73 E C 1.213 177.789 176.600 -0.041 0.000 1.005 73 E CA 2.338 58.718 56.400 -0.033 0.000 0.810 73 E CB -0.772 28.917 29.700 -0.017 0.000 0.736 73 E HN 0.548 nan 8.360 nan 0.000 0.460 74 D N -0.685 119.694 120.400 -0.036 0.000 2.309 74 D HA -0.175 4.465 4.640 0.000 0.000 0.212 74 D C 1.261 177.532 176.300 -0.049 0.000 0.968 74 D CA 0.875 54.854 54.000 -0.036 0.000 0.882 74 D CB -0.265 40.518 40.800 -0.029 0.000 0.918 74 D HN 0.212 nan 8.370 nan 0.000 0.503 75 Q N -0.393 119.369 119.800 -0.063 0.000 2.319 75 Q HA 0.205 4.545 4.340 0.000 0.000 0.202 75 Q C 1.719 177.657 176.000 -0.104 0.000 0.896 75 Q CA 0.036 55.790 55.803 -0.083 0.000 0.942 75 Q CB 0.437 29.118 28.738 -0.095 0.000 1.083 75 Q HN 0.451 nan 8.270 nan 0.000 0.510 76 R N -0.084 120.358 120.500 -0.096 0.000 2.161 76 R HA 0.139 4.480 4.340 0.000 0.000 0.213 76 R C 2.107 178.357 176.300 -0.083 0.000 1.055 76 R CA 0.793 56.826 56.100 -0.113 0.000 0.996 76 R CB -0.046 30.185 30.300 -0.114 0.000 0.901 76 R HN 0.106 nan 8.270 nan 0.000 0.456 77 A N 1.728 124.512 122.820 -0.061 0.000 1.883 77 A HA -0.183 4.137 4.320 0.000 0.000 0.217 77 A C 1.274 178.836 177.584 -0.037 0.000 1.186 77 A CA 1.774 53.786 52.037 -0.042 0.000 0.624 77 A CB -0.253 18.727 19.000 -0.033 0.000 0.822 77 A HN 0.139 nan 8.150 nan 0.000 0.444 78 D N -1.554 118.819 120.400 -0.044 0.000 2.340 78 D HA 0.141 4.781 4.640 0.000 0.000 0.220 78 D C 0.413 176.691 176.300 -0.037 0.000 1.039 78 D CA 0.257 54.236 54.000 -0.036 0.000 0.866 78 D CB 0.015 40.793 40.800 -0.038 0.000 0.913 78 D HN 0.426 nan 8.370 nan 0.000 0.523 79 M N 2.136 121.703 119.600 -0.055 0.000 2.209 79 M HA 0.306 4.786 4.480 0.000 0.000 0.355 79 M C -2.478 173.838 176.300 0.027 0.000 1.171 79 M CA -2.055 53.210 55.300 -0.059 0.000 1.069 79 M CB 1.384 33.880 32.600 -0.174 0.000 1.622 79 M HN -0.315 nan 8.290 nan 0.000 0.459 80 P HA 0.098 nan 4.420 nan 0.000 0.269 80 P C -0.405 177.073 177.300 0.297 0.000 1.217 80 P CA 0.014 63.214 63.100 0.167 0.000 0.783 80 P CB 0.314 32.121 31.700 0.178 0.000 0.898 81 A N 1.757 124.682 122.820 0.175 0.000 2.121 81 A HA 0.038 4.358 4.320 0.000 0.000 0.218 81 A C 1.040 178.649 177.584 0.042 0.000 1.154 81 A CA 1.711 53.839 52.037 0.152 0.000 0.679 81 A CB -0.883 18.151 19.000 0.056 0.000 0.795 81 A HN 0.757 nan 8.150 nan 0.000 0.458 82 T N -6.420 108.084 114.554 -0.084 0.000 2.843 82 T HA 0.526 4.876 4.350 0.000 0.000 0.302 82 T C -2.600 171.766 174.700 -0.556 0.000 1.232 82 T CA -0.874 60.880 62.100 -0.577 0.000 1.009 82 T CB 1.955 70.635 68.868 -0.313 0.000 1.254 82 T HN -0.094 nan 8.240 nan 0.000 0.504 83 P HA 0.143 nan 4.420 nan 0.000 0.222 83 P C 0.462 177.647 177.300 -0.192 0.000 1.153 83 P CA 0.864 63.704 63.100 -0.432 0.000 0.798 83 P CB 0.179 31.589 31.700 -0.484 0.000 0.796 84 T N 0.017 114.447 114.554 -0.207 0.000 3.105 84 T HA 0.342 4.692 4.350 0.000 0.000 0.321 84 T C -3.077 171.568 174.700 -0.091 0.000 1.135 84 T CA -2.002 60.039 62.100 -0.097 0.000 1.053 84 T CB 1.843 70.677 68.868 -0.056 0.000 1.133 84 T HN -0.211 nan 8.240 nan 0.000 0.463 85 P HA 0.197 nan 4.420 nan 0.000 0.231 85 P C -0.173 177.118 177.300 -0.015 0.000 1.756 85 P CA -0.178 62.904 63.100 -0.030 0.000 0.990 85 P CB -0.517 31.180 31.700 -0.005 0.000 1.973 86 M N 1.742 121.326 119.600 -0.027 0.000 2.249 86 M HA 0.274 4.754 4.480 0.000 0.000 0.351 86 M C 2.153 178.472 176.300 0.032 0.000 1.180 86 M CA -0.505 54.793 55.300 -0.004 0.000 1.127 86 M CB 1.541 34.132 32.600 -0.016 0.000 1.546 86 M HN 0.065 nan 8.290 nan 0.000 0.461 87 M N 1.729 121.370 119.600 0.068 0.000 2.279 87 M HA -0.104 4.376 4.480 0.000 0.000 0.264 87 M C 1.508 177.993 176.300 0.307 0.000 1.062 87 M CA 1.873 57.278 55.300 0.175 0.000 1.099 87 M CB -0.505 32.162 32.600 0.111 0.000 1.394 87 M HN 0.743 nan 8.290 nan 0.000 0.426 88 I N 1.187 121.858 120.570 0.168 0.000 2.700 88 I HA -0.152 4.018 4.170 0.000 0.000 0.261 88 I C 1.184 177.262 176.117 -0.065 0.000 1.219 88 I CA 0.942 62.282 61.300 0.066 0.000 1.463 88 I CB 0.124 38.133 38.000 0.016 0.000 1.092 88 I HN 0.397 nan 8.210 nan 0.000 0.452 89 L N 0.401 121.619 121.223 -0.008 0.000 2.741 89 L HA 0.314 4.655 4.340 0.000 0.000 0.237 89 L C -0.067 176.803 176.870 0.001 0.000 1.178 89 L CA -0.105 54.705 54.840 -0.049 0.000 0.973 89 L CB -0.168 41.807 42.059 -0.139 0.000 1.255 89 L HN 0.153 nan 8.230 nan 0.000 0.498 90 M N -0.960 118.703 119.600 0.106 0.000 2.572 90 M HA 0.415 4.895 4.480 0.000 0.000 0.299 90 M C -1.195 175.241 176.300 0.226 0.000 1.205 90 M CA -0.703 54.689 55.300 0.154 0.000 0.876 90 M CB 2.688 35.393 32.600 0.175 0.000 1.728 90 M HN -0.149 nan 8.290 nan 0.000 0.458 91 D N 1.224 121.730 120.400 0.177 0.000 2.437 91 D HA 0.516 5.156 4.640 0.000 0.000 0.259 91 D C -2.411 173.980 176.300 0.152 0.000 1.118 91 D CA -1.286 52.807 54.000 0.155 0.000 1.017 91 D CB 0.542 41.427 40.800 0.141 0.000 1.120 91 D HN 0.164 nan 8.370 nan 0.000 0.541 92 P HA 0.088 nan 4.420 nan 0.000 0.270 92 P C -1.602 175.746 177.300 0.081 0.000 1.223 92 P CA -0.636 62.529 63.100 0.109 0.000 0.785 92 P CB 0.113 31.859 31.700 0.077 0.000 0.923 93 P HA -0.042 nan 4.420 nan 0.000 0.235 93 P C 0.455 177.784 177.300 0.048 0.000 1.177 93 P CA 0.958 64.088 63.100 0.050 0.000 0.785 93 P CB 0.232 31.951 31.700 0.031 0.000 0.885 94 D N -0.513 119.923 120.400 0.060 0.000 2.117 94 D HA -0.200 4.440 4.640 0.000 0.000 0.197 94 D C 1.961 178.292 176.300 0.052 0.000 0.987 94 D CA 1.071 55.100 54.000 0.048 0.000 0.829 94 D CB -0.909 39.922 40.800 0.051 0.000 0.961 94 D HN 0.366 nan 8.370 nan 0.000 0.460 95 H N 1.009 120.092 119.070 0.022 0.000 2.319 95 H HA -0.115 4.441 4.556 0.000 0.000 0.299 95 H C 1.503 176.819 175.328 -0.021 0.000 1.092 95 H CA 2.147 58.203 56.048 0.013 0.000 1.302 95 H CB 0.016 29.787 29.762 0.014 0.000 1.373 95 H HN 0.042 nan 8.280 nan 0.000 0.497 96 T N 1.264 115.769 114.554 -0.080 0.000 2.635 96 T HA -0.222 4.128 4.350 0.000 0.000 0.267 96 T C 2.149 176.761 174.700 -0.148 0.000 1.040 96 T CA 1.810 63.837 62.100 -0.123 0.000 1.156 96 T CB -0.349 68.516 68.868 -0.005 0.000 0.863 96 T HN 0.389 nan 8.240 nan 0.000 0.430 97 R N 0.825 121.273 120.500 -0.086 0.000 2.097 97 R HA -0.081 4.259 4.340 0.000 0.000 0.236 97 R C 2.461 178.708 176.300 -0.089 0.000 1.135 97 R CA 1.547 57.607 56.100 -0.066 0.000 0.934 97 R CB -0.566 29.715 30.300 -0.032 0.000 0.846 97 R HN 0.373 nan 8.270 nan 0.000 0.431 98 L N 0.134 121.291 121.223 -0.109 0.000 2.046 98 L HA -0.138 4.202 4.340 0.000 0.000 0.208 98 L C 2.839 179.623 176.870 -0.143 0.000 1.077 98 L CA 1.419 56.197 54.840 -0.102 0.000 0.747 98 L CB -0.428 41.586 42.059 -0.075 0.000 0.896 98 L HN 0.212 nan 8.230 nan 0.000 0.432 99 R N 0.905 121.243 120.500 -0.271 0.000 2.075 99 R HA -0.171 4.169 4.340 0.000 0.000 0.232 99 R C 2.227 178.451 176.300 -0.127 0.000 1.126 99 R CA 1.617 57.565 56.100 -0.253 0.000 0.963 99 R CB -0.331 29.690 30.300 -0.465 0.000 0.858 99 R HN 0.156 nan 8.270 nan 0.000 0.435 100 K N 0.156 120.486 120.400 -0.116 0.000 2.044 100 K HA -0.162 4.158 4.320 0.000 0.000 0.210 100 K C 2.056 178.640 176.600 -0.027 0.000 1.049 100 K CA 1.810 58.064 56.287 -0.056 0.000 0.927 100 K CB -0.325 32.145 32.500 -0.050 0.000 0.713 100 K HN 0.256 nan 8.250 nan 0.000 0.443 101 L N 0.249 121.453 121.223 -0.032 0.000 2.051 101 L HA -0.237 4.103 4.340 0.000 0.000 0.214 101 L C 2.327 179.209 176.870 0.021 0.000 1.076 101 L CA 1.443 56.278 54.840 -0.009 0.000 0.758 101 L CB -0.204 41.846 42.059 -0.015 0.000 0.890 101 L HN 0.175 nan 8.230 nan 0.000 0.433 102 V N -1.127 118.803 119.914 0.027 0.000 3.565 102 V HA 0.096 4.216 4.120 0.000 0.000 0.260 102 V C 2.172 178.369 176.094 0.172 0.000 1.231 102 V CA 0.962 63.323 62.300 0.102 0.000 1.100 102 V CB 0.538 32.397 31.823 0.059 0.000 0.807 102 V HN 0.502 nan 8.190 nan 0.000 0.454 103 G N 0.637 109.488 108.800 0.084 0.000 2.513 103 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 103 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 103 G C 1.609 176.584 174.900 0.124 0.000 1.160 103 G CA 1.122 46.279 45.100 0.096 0.000 0.767 103 G HN 0.494 nan 8.290 nan 0.000 0.571 104 R N 0.268 120.816 120.500 0.080 0.000 2.152 104 R HA 0.003 4.343 4.340 0.000 0.000 0.232 104 R C 2.751 179.068 176.300 0.028 0.000 1.117 104 R CA 1.206 57.334 56.100 0.046 0.000 0.981 104 R CB -0.150 30.162 30.300 0.021 0.000 0.870 104 R HN 0.315 nan 8.270 nan 0.000 0.451 105 S N -0.164 115.566 115.700 0.051 0.000 2.522 105 S HA 0.031 4.501 4.470 0.000 0.000 0.227 105 S C 0.527 174.917 174.600 -0.351 0.000 0.986 105 S CA 0.679 58.805 58.200 -0.124 0.000 0.929 105 S CB 0.137 63.266 63.200 -0.119 0.000 0.769 105 S HN 0.192 nan 8.310 nan 0.000 0.529 106 F N 1.930 121.873 119.950 -0.011 0.000 2.698 106 F HA 0.209 4.736 4.527 -0.000 0.000 0.304 106 F C 1.278 177.073 175.800 -0.008 0.000 1.108 106 F CA -0.721 57.271 58.000 -0.012 0.000 1.263 106 F CB -0.425 38.566 39.000 -0.016 0.000 1.013 106 F HN -0.008 nan 8.300 nan 0.000 0.532 107 T N -1.972 112.631 114.554 0.081 0.000 2.855 107 T HA 0.103 4.453 4.350 0.000 0.000 0.314 107 T C 1.678 176.399 174.700 0.036 0.000 1.077 107 T CA 0.036 62.169 62.100 0.055 0.000 1.095 107 T CB 1.426 70.309 68.868 0.025 0.000 0.987 107 T HN 0.144 nan 8.240 nan 0.000 0.546 108 V N 0.668 120.604 119.914 0.037 0.000 2.490 108 V HA -0.108 4.012 4.120 0.000 0.000 0.250 108 V C 2.630 178.732 176.094 0.014 0.000 1.061 108 V CA 1.800 64.119 62.300 0.031 0.000 1.064 108 V CB -1.161 30.683 31.823 0.036 0.000 0.670 108 V HN 0.971 nan 8.190 nan 0.000 0.461 109 R N -0.056 120.447 120.500 0.006 0.000 2.082 109 R HA -0.151 4.189 4.340 0.000 0.000 0.234 109 R C 2.707 178.996 176.300 -0.018 0.000 1.136 109 R CA 1.926 58.023 56.100 -0.004 0.000 0.935 109 R CB -0.343 29.954 30.300 -0.005 0.000 0.842 109 R HN 0.422 nan 8.270 nan 0.000 0.430 110 R N -0.027 120.453 120.500 -0.033 0.000 2.096 110 R HA -0.151 4.189 4.340 0.000 0.000 0.240 110 R C 2.241 178.499 176.300 -0.071 0.000 1.139 110 R CA 1.653 57.713 56.100 -0.067 0.000 0.952 110 R CB -0.439 29.796 30.300 -0.109 0.000 0.854 110 R HN 0.370 nan 8.270 nan 0.000 0.436 111 M N 0.610 120.178 119.600 -0.053 0.000 2.175 111 M HA -0.087 4.393 4.480 0.000 0.000 0.264 111 M C 1.627 177.918 176.300 -0.016 0.000 1.063 111 M CA 1.172 56.450 55.300 -0.037 0.000 1.119 111 M CB -1.183 31.418 32.600 0.002 0.000 1.377 111 M HN 0.038 nan 8.290 nan 0.000 0.415 112 N N 1.137 119.834 118.700 -0.005 0.000 2.149 112 N HA -0.165 4.575 4.740 0.000 0.000 0.188 112 N C 1.483 176.989 175.510 -0.006 0.000 1.019 112 N CA 1.217 54.268 53.050 0.002 0.000 0.857 112 N CB -0.352 38.139 38.487 0.007 0.000 0.997 112 N HN 0.528 nan 8.380 nan 0.000 0.426 113 E N 0.282 120.472 120.200 -0.017 0.000 2.333 113 E HA -0.084 4.266 4.350 0.000 0.000 0.198 113 E C 1.511 178.097 176.600 -0.023 0.000 1.007 113 E CA 0.392 56.780 56.400 -0.021 0.000 0.845 113 E CB -0.061 29.621 29.700 -0.030 0.000 0.766 113 E HN 0.387 nan 8.360 nan 0.000 0.507 114 L N 0.451 121.658 121.223 -0.027 0.000 2.509 114 L HA -0.035 4.305 4.340 0.000 0.000 0.222 114 L C 2.394 179.256 176.870 -0.012 0.000 1.123 114 L CA 0.282 55.106 54.840 -0.027 0.000 0.856 114 L CB -0.128 41.908 42.059 -0.039 0.000 0.985 114 L HN 0.129 nan 8.230 nan 0.000 0.456 115 E N 1.249 121.447 120.200 -0.003 0.000 2.114 115 E HA -0.241 4.109 4.350 0.000 0.000 0.199 115 E C -0.652 175.952 176.600 0.007 0.000 1.008 115 E CA 1.688 58.093 56.400 0.007 0.000 0.810 115 E CB -0.485 29.224 29.700 0.014 0.000 0.739 115 E HN 0.300 nan 8.360 nan 0.000 0.456 116 P HA -0.164 nan 4.420 nan 0.000 0.215 116 P C 1.057 178.359 177.300 0.003 0.000 1.153 116 P CA 1.393 64.496 63.100 0.005 0.000 0.853 116 P CB -0.040 31.662 31.700 0.002 0.000 0.788 117 R N 0.269 120.767 120.500 -0.003 0.000 2.075 117 R HA -0.037 4.304 4.340 0.000 0.000 0.232 117 R C 2.143 178.439 176.300 -0.006 0.000 1.126 117 R CA 1.473 57.570 56.100 -0.006 0.000 0.963 117 R CB -1.659 28.633 30.300 -0.013 0.000 0.858 117 R HN 0.142 nan 8.270 nan 0.000 0.435 118 I N -0.086 120.479 120.570 -0.007 0.000 2.163 118 I HA -0.304 3.866 4.170 0.000 0.000 0.243 118 I C 1.941 178.059 176.117 0.002 0.000 1.085 118 I CA 1.939 63.233 61.300 -0.010 0.000 1.347 118 I CB -0.630 37.367 38.000 -0.006 0.000 1.044 118 I HN 0.185 nan 8.210 nan 0.000 0.408 119 T N -0.075 114.488 114.554 0.015 0.000 2.652 119 T HA -0.283 4.067 4.350 0.000 0.000 0.267 119 T C 1.803 176.521 174.700 0.030 0.000 1.039 119 T CA 1.874 63.991 62.100 0.029 0.000 1.153 119 T CB -0.377 68.508 68.868 0.029 0.000 0.863 119 T HN 0.433 nan 8.240 nan 0.000 0.428 120 E N 0.487 120.699 120.200 0.019 0.000 2.049 120 E HA -0.171 4.179 4.350 0.000 0.000 0.198 120 E C 2.166 178.778 176.600 0.020 0.000 1.007 120 E CA 1.354 57.765 56.400 0.018 0.000 0.809 120 E CB -0.306 29.400 29.700 0.011 0.000 0.749 120 E HN 0.500 nan 8.360 nan 0.000 0.450 121 I N 0.725 121.300 120.570 0.009 0.000 2.163 121 I HA -0.302 3.868 4.170 0.000 0.000 0.243 121 I C 2.566 178.696 176.117 0.021 0.000 1.085 121 I CA 1.167 62.468 61.300 0.002 0.000 1.347 121 I CB -0.357 37.628 38.000 -0.025 0.000 1.044 121 I HN 0.216 nan 8.210 nan 0.000 0.408 122 A N 0.303 123.140 122.820 0.028 0.000 1.940 122 A HA -0.250 4.070 4.320 0.000 0.000 0.219 122 A C 1.958 179.637 177.584 0.158 0.000 1.176 122 A CA 2.105 54.200 52.037 0.096 0.000 0.631 122 A CB -0.603 18.459 19.000 0.102 0.000 0.814 122 A HN 0.361 nan 8.150 nan 0.000 0.446 123 D N -0.260 120.195 120.400 0.093 0.000 2.084 123 D HA -0.099 4.541 4.640 0.000 0.000 0.194 123 D C 2.159 178.498 176.300 0.064 0.000 0.990 123 D CA 1.632 55.675 54.000 0.072 0.000 0.826 123 D CB -0.907 39.921 40.800 0.047 0.000 0.971 123 D HN 0.408 nan 8.370 nan 0.000 0.453 124 G N 0.797 109.629 108.800 0.053 0.000 2.469 124 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 124 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 124 G C 1.840 176.776 174.900 0.059 0.000 1.136 124 G CA 0.520 45.647 45.100 0.044 0.000 0.759 124 G HN 0.247 nan 8.290 nan 0.000 0.562 125 L N -0.281 121.001 121.223 0.099 0.000 2.027 125 L HA 0.020 4.360 4.340 0.000 0.000 0.206 125 L C 2.911 179.846 176.870 0.109 0.000 1.074 125 L CA 0.586 55.511 54.840 0.143 0.000 0.745 125 L CB -0.378 41.839 42.059 0.262 0.000 0.898 125 L HN 0.178 nan 8.230 nan 0.000 0.433 126 L N -0.551 120.729 121.223 0.094 0.000 2.083 126 L HA -0.202 4.138 4.340 0.000 0.000 0.209 126 L C 2.864 179.724 176.870 -0.017 0.000 1.083 126 L CA 1.045 55.875 54.840 -0.016 0.000 0.752 126 L CB -0.759 41.286 42.059 -0.023 0.000 0.899 126 L HN 0.255 nan 8.230 nan 0.000 0.433 127 A N 0.440 123.265 122.820 0.009 0.000 1.858 127 A HA -0.148 4.173 4.320 0.000 0.000 0.216 127 A C 2.364 179.946 177.584 -0.002 0.000 1.190 127 A CA 1.838 53.876 52.037 0.002 0.000 0.617 127 A CB -1.297 17.709 19.000 0.011 0.000 0.827 127 A HN 0.431 nan 8.150 nan 0.000 0.443 128 G N -0.919 107.886 108.800 0.007 0.000 2.534 128 G HA2 0.187 4.147 3.960 0.000 0.000 0.217 128 G HA3 0.187 4.147 3.960 0.000 0.000 0.217 128 G C 0.621 175.517 174.900 -0.006 0.000 1.128 128 G CA -0.025 45.077 45.100 0.004 0.000 0.784 128 G HN 0.405 nan 8.290 nan 0.000 0.542 129 L N 2.395 123.608 121.223 -0.017 0.000 2.410 129 L HA 0.228 4.568 4.340 0.000 0.000 0.273 129 L C -1.645 175.199 176.870 -0.043 0.000 1.152 129 L CA -1.758 53.060 54.840 -0.036 0.000 0.855 129 L CB 0.882 42.899 42.059 -0.070 0.000 1.129 129 L HN -0.006 nan 8.230 nan 0.000 0.463 130 P HA -0.010 nan 4.420 nan 0.000 0.263 130 P C 0.430 177.701 177.300 -0.048 0.000 1.195 130 P CA 0.016 63.093 63.100 -0.038 0.000 0.762 130 P CB 0.788 32.468 31.700 -0.034 0.000 0.799 131 T N 0.922 115.451 114.554 -0.042 0.000 2.821 131 T HA -0.068 4.282 4.350 0.000 0.000 0.267 131 T C 0.428 175.102 174.700 -0.042 0.000 1.046 131 T CA 1.461 63.535 62.100 -0.044 0.000 1.139 131 T CB -0.241 68.606 68.868 -0.034 0.000 0.871 131 T HN 0.493 nan 8.240 nan 0.000 0.454 132 D N -1.147 119.232 120.400 -0.035 0.000 2.269 132 D HA 0.585 5.225 4.640 0.000 0.000 0.244 132 D C 0.258 176.538 176.300 -0.033 0.000 0.992 132 D CA 0.639 54.619 54.000 -0.032 0.000 0.894 132 D CB 1.575 42.360 40.800 -0.025 0.000 1.248 132 D HN 0.331 nan 8.370 nan 0.000 0.468 133 G N 1.218 109.999 108.800 -0.031 0.000 2.756 133 G HA2 -0.067 3.893 3.960 0.000 0.000 0.678 133 G HA3 -0.067 3.893 3.960 0.000 0.000 0.678 133 G C -2.798 172.081 174.900 -0.036 0.000 1.349 133 G CA -1.160 43.922 45.100 -0.030 0.000 0.847 133 G HN 0.461 nan 8.290 nan 0.000 0.548 134 P HA 0.573 nan 4.420 nan 0.000 0.290 134 P C -0.068 177.210 177.300 -0.038 0.000 1.276 134 P CA -0.336 62.742 63.100 -0.037 0.000 0.808 134 P CB 1.629 33.310 31.700 -0.032 0.000 0.966 135 V N -0.252 119.635 119.914 -0.044 0.000 2.769 135 V HA 0.581 4.701 4.120 0.000 0.000 0.312 135 V C -0.699 175.372 176.094 -0.038 0.000 1.061 135 V CA -1.001 61.275 62.300 -0.040 0.000 0.931 135 V CB 2.101 33.898 31.823 -0.043 0.000 1.010 135 V HN 0.353 nan 8.190 nan 0.000 0.433 136 D N 3.229 123.611 120.400 -0.030 0.000 2.393 136 D HA 0.177 4.817 4.640 0.000 0.000 0.232 136 D C 0.651 176.948 176.300 -0.004 0.000 1.192 136 D CA -0.190 53.793 54.000 -0.028 0.000 0.882 136 D CB 1.243 42.021 40.800 -0.037 0.000 1.038 136 D HN 0.647 nan 8.370 nan 0.000 0.499 137 L N 4.795 126.017 121.223 -0.003 0.000 2.201 137 L HA -0.125 4.215 4.340 0.000 0.000 0.212 137 L C 1.774 178.704 176.870 0.100 0.000 1.105 137 L CA 1.350 56.214 54.840 0.040 0.000 0.775 137 L CB -0.283 41.778 42.059 0.003 0.000 0.913 137 L HN 0.472 nan 8.230 nan 0.000 0.440 138 M N -0.672 118.961 119.600 0.054 0.000 2.091 138 M HA -0.206 4.274 4.480 0.000 0.000 0.259 138 M C 2.430 178.786 176.300 0.094 0.000 1.076 138 M CA 1.789 57.131 55.300 0.070 0.000 1.111 138 M CB -1.500 31.109 32.600 0.015 0.000 1.291 138 M HN 0.256 nan 8.290 nan 0.000 0.417 139 R N 0.207 120.715 120.500 0.014 0.000 2.091 139 R HA -0.155 4.185 4.340 0.000 0.000 0.238 139 R C 1.682 178.028 176.300 0.078 0.000 1.136 139 R CA 1.395 57.479 56.100 -0.028 0.000 0.959 139 R CB 0.058 30.298 30.300 -0.099 0.000 0.856 139 R HN 0.312 nan 8.270 nan 0.000 0.437 140 E N -1.469 118.784 120.200 0.088 0.000 2.478 140 E HA -0.073 4.277 4.350 0.000 0.000 0.194 140 E C 0.302 177.030 176.600 0.212 0.000 1.045 140 E CA 0.604 57.074 56.400 0.116 0.000 0.868 140 E CB 0.435 30.177 29.700 0.071 0.000 0.885 140 E HN 0.483 nan 8.360 nan 0.000 0.505 141 Y N -0.961 119.369 120.300 0.050 0.000 3.260 141 Y HA 0.266 4.816 4.550 0.000 0.000 0.202 141 Y C 2.022 177.952 175.900 0.051 0.000 0.962 141 Y CA 0.733 58.854 58.100 0.036 0.000 1.582 141 Y CB -0.268 38.194 38.460 0.004 0.000 1.478 141 Y HN -0.083 nan 8.280 nan 0.000 0.384 142 A N 0.587 123.449 122.820 0.071 0.000 1.902 142 A HA -0.201 4.119 4.320 0.000 0.000 0.217 142 A C 1.954 179.538 177.584 0.000 0.000 1.181 142 A CA 1.876 53.908 52.037 -0.009 0.000 0.623 142 A CB -1.357 17.701 19.000 0.097 0.000 0.818 142 A HN 0.656 nan 8.150 nan 0.000 0.443 143 F N 0.434 120.348 119.950 -0.061 0.000 2.146 143 F HA -0.180 4.347 4.527 0.000 0.000 0.298 143 F C 2.533 178.268 175.800 -0.108 0.000 1.096 143 F CA 2.055 60.016 58.000 -0.066 0.000 1.275 143 F CB -0.103 38.875 39.000 -0.036 0.000 1.008 143 F HN 0.191 nan 8.300 nan 0.000 0.480 144 Q N 0.548 120.327 119.800 -0.035 0.000 2.079 144 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 144 Q C 2.486 178.346 176.000 -0.234 0.000 0.974 144 Q CA 1.900 57.629 55.803 -0.122 0.000 0.840 144 Q CB -0.563 28.178 28.738 0.005 0.000 0.898 144 Q HN 0.521 nan 8.270 nan 0.000 0.430 145 I N 1.174 121.584 120.570 -0.266 0.000 2.099 145 I HA -0.259 3.911 4.170 0.000 0.000 0.239 145 I C -0.681 175.305 176.117 -0.218 0.000 1.066 145 I CA 1.424 62.581 61.300 -0.240 0.000 1.324 145 I CB -1.511 36.316 38.000 -0.288 0.000 1.037 145 I HN 0.153 nan 8.210 nan 0.000 0.401 146 P HA -0.086 nan 4.420 nan 0.000 0.217 146 P C 1.976 179.099 177.300 -0.295 0.000 1.150 146 P CA 1.071 64.043 63.100 -0.214 0.000 0.832 146 P CB 0.002 31.588 31.700 -0.189 0.000 0.787 147 V N 0.183 119.794 119.914 -0.506 0.000 2.295 147 V HA -0.283 3.837 4.120 0.000 0.000 0.246 147 V C 2.584 178.507 176.094 -0.286 0.000 1.049 147 V CA 1.925 63.853 62.300 -0.621 0.000 1.024 147 V CB -1.268 29.944 31.823 -1.019 0.000 0.648 147 V HN 0.177 nan 8.190 nan 0.000 0.447 148 Q N -0.660 119.014 119.800 -0.209 0.000 2.079 148 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 148 Q C 2.339 178.300 176.000 -0.066 0.000 0.974 148 Q CA 1.696 57.442 55.803 -0.095 0.000 0.840 148 Q CB -0.358 28.335 28.738 -0.076 0.000 0.898 148 Q HN 0.559 nan 8.270 nan 0.000 0.430 149 V N 1.017 120.880 119.914 -0.085 0.000 2.287 149 V HA -0.274 3.846 4.120 0.000 0.000 0.248 149 V C 2.173 178.249 176.094 -0.030 0.000 1.053 149 V CA 1.702 63.971 62.300 -0.053 0.000 1.027 149 V CB -0.456 31.337 31.823 -0.051 0.000 0.646 149 V HN 0.293 nan 8.190 nan 0.000 0.447 150 I N -0.565 119.983 120.570 -0.037 0.000 2.353 150 I HA -0.178 3.993 4.170 0.000 0.000 0.248 150 I C 2.384 178.515 176.117 0.023 0.000 1.119 150 I CA 1.310 62.616 61.300 0.011 0.000 1.417 150 I CB -0.420 37.593 38.000 0.022 0.000 1.078 150 I HN 0.332 nan 8.210 nan 0.000 0.421 151 C N 0.342 119.657 119.300 0.025 0.000 2.413 151 C HA -0.176 4.284 4.460 0.000 0.000 0.276 151 C C 2.594 177.610 174.990 0.045 0.000 1.248 151 C CA 1.106 60.164 59.018 0.066 0.000 1.742 151 C CB -1.256 26.563 27.740 0.132 0.000 2.017 151 C HN 0.520 nan 8.230 nan 0.000 0.481 152 E N 0.163 120.376 120.200 0.021 0.000 2.072 152 E HA -0.195 4.155 4.350 0.000 0.000 0.191 152 E C 2.018 178.617 176.600 -0.002 0.000 0.985 152 E CA 0.854 57.259 56.400 0.010 0.000 0.801 152 E CB -0.262 29.436 29.700 -0.003 0.000 0.750 152 E HN 0.450 nan 8.360 nan 0.000 0.452 153 L N 0.829 122.048 121.223 -0.008 0.000 2.017 153 L HA -0.155 4.185 4.340 0.000 0.000 0.208 153 L C 1.947 178.814 176.870 -0.004 0.000 1.073 153 L CA 1.681 56.506 54.840 -0.025 0.000 0.745 153 L CB -0.322 41.720 42.059 -0.028 0.000 0.894 153 L HN 0.121 nan 8.230 nan 0.000 0.432 154 L N -0.844 120.392 121.223 0.023 0.000 2.209 154 L HA 0.196 4.536 4.340 0.000 0.000 0.207 154 L C 1.339 178.219 176.870 0.017 0.000 1.094 154 L CA 0.649 55.505 54.840 0.027 0.000 0.790 154 L CB -0.608 41.466 42.059 0.025 0.000 0.932 154 L HN 0.533 nan 8.230 nan 0.000 0.447 155 G N 0.995 109.809 108.800 0.023 0.000 2.270 155 G HA2 -0.206 3.754 3.960 0.000 0.000 0.224 155 G HA3 -0.206 3.754 3.960 0.000 0.000 0.224 155 G C -0.200 174.733 174.900 0.056 0.000 1.079 155 G CA -0.527 44.592 45.100 0.032 0.000 0.807 155 G HN 0.129 nan 8.290 nan 0.000 0.492 156 L N 0.663 121.931 121.223 0.076 0.000 2.290 156 L HA 0.392 4.732 4.340 0.000 0.000 0.284 156 L C -1.684 175.329 176.870 0.239 0.000 1.078 156 L CA -2.095 52.830 54.840 0.142 0.000 0.815 156 L CB 1.006 43.087 42.059 0.035 0.000 1.162 156 L HN -0.046 nan 8.230 nan 0.000 0.435 157 P HA 0.030 nan 4.420 nan 0.000 0.267 157 P C 0.286 177.742 177.300 0.260 0.000 1.205 157 P CA -0.062 63.181 63.100 0.239 0.000 0.765 157 P CB 1.127 32.967 31.700 0.232 0.000 0.828 158 A N 3.917 126.831 122.820 0.157 0.000 1.972 158 A HA -0.216 4.104 4.320 0.000 0.000 0.219 158 A C 1.751 179.353 177.584 0.030 0.000 1.169 158 A CA 1.513 53.609 52.037 0.099 0.000 0.635 158 A CB -0.907 18.131 19.000 0.063 0.000 0.810 158 A HN 0.537 nan 8.150 nan 0.000 0.446 159 E N 0.790 121.017 120.200 0.046 0.000 2.219 159 E HA -0.166 4.184 4.350 0.000 0.000 0.198 159 E C 0.703 177.281 176.600 -0.038 0.000 0.998 159 E CA 1.448 57.857 56.400 0.015 0.000 0.818 159 E CB -0.173 29.557 29.700 0.050 0.000 0.741 159 E HN 0.593 nan 8.360 nan 0.000 0.477 160 D N -0.517 119.864 120.400 -0.031 0.000 2.349 160 D HA 0.091 4.731 4.640 0.000 0.000 0.214 160 D C 1.293 177.090 176.300 -0.838 0.000 1.063 160 D CA -0.004 53.881 54.000 -0.192 0.000 0.847 160 D CB 0.101 41.018 40.800 0.194 0.000 0.933 160 D HN 0.097 nan 8.370 nan 0.000 0.513 161 R N 0.688 120.730 120.500 -0.762 0.000 2.105 161 R HA -0.124 4.216 4.340 0.000 0.000 0.239 161 R C 1.229 177.031 176.300 -0.831 0.000 1.135 161 R CA 1.105 56.572 56.100 -1.054 0.000 0.967 161 R CB 0.082 30.197 30.300 -0.309 0.000 0.861 161 R HN 0.051 nan 8.270 nan 0.000 0.442 162 D N 0.266 120.346 120.400 -0.534 0.000 2.144 162 D HA -0.125 4.515 4.640 0.000 0.000 0.200 162 D C 1.432 177.388 176.300 -0.574 0.000 0.978 162 D CA 1.060 54.815 54.000 -0.408 0.000 0.833 162 D CB -0.230 40.403 40.800 -0.277 0.000 0.961 162 D HN 0.140 nan 8.370 nan 0.000 0.470 163 D N 0.056 120.002 120.400 -0.757 0.000 2.078 163 D HA -0.136 4.504 4.640 0.000 0.000 0.193 163 D C 2.060 177.407 176.300 -1.588 0.000 0.990 163 D CA 0.862 54.173 54.000 -1.149 0.000 0.827 163 D CB -0.320 39.877 40.800 -1.005 0.000 0.975 163 D HN 0.358 nan 8.370 nan 0.000 0.451 164 F N 1.452 120.812 119.950 -0.984 0.000 2.456 164 F HA 0.030 4.557 4.527 0.000 0.000 0.298 164 F C 2.356 177.924 175.800 -0.388 0.000 1.104 164 F CA 0.811 58.439 58.000 -0.620 0.000 1.435 164 F CB -1.240 37.541 39.000 -0.365 0.000 1.078 164 F HN -0.119 nan 8.300 nan 0.000 0.546 165 S N 1.204 116.818 115.700 -0.143 0.000 2.368 165 S HA -0.067 4.403 4.470 0.000 0.000 0.224 165 S C 2.263 176.839 174.600 -0.039 0.000 1.029 165 S CA 0.744 58.993 58.200 0.080 0.000 0.988 165 S CB -1.191 62.201 63.200 0.321 0.000 0.838 165 S HN 0.501 nan 8.310 nan 0.000 0.462 166 A N 1.439 124.112 122.820 -0.244 0.000 1.908 166 A HA -0.040 4.280 4.320 0.000 0.000 0.218 166 A C 2.089 179.650 177.584 -0.038 0.000 1.181 166 A CA 1.485 53.398 52.037 -0.207 0.000 0.627 166 A CB -1.178 17.616 19.000 -0.344 0.000 0.818 166 A HN 0.771 nan 8.150 nan 0.000 0.445 167 W N -0.277 121.023 121.300 -0.001 0.000 2.409 167 W HA -0.032 4.628 4.660 0.000 0.000 0.299 167 W C 2.930 179.454 176.519 0.008 0.000 1.203 167 W CA 0.740 58.089 57.345 0.007 0.000 1.298 167 W CB -1.559 27.908 29.460 0.013 0.000 1.127 167 W HN 0.431 nan 8.180 nan 0.000 0.528 168 S N 0.454 116.275 115.700 0.201 0.000 2.359 168 S HA -0.230 4.240 4.470 0.000 0.000 0.224 168 S C 2.284 176.954 174.600 0.117 0.000 1.035 168 S CA 2.511 60.775 58.200 0.107 0.000 1.018 168 S CB -0.697 62.490 63.200 -0.022 0.000 0.876 168 S HN 0.206 nan 8.310 nan 0.000 0.448 169 S N 0.184 115.953 115.700 0.114 0.000 2.382 169 S HA -0.057 4.413 4.470 0.000 0.000 0.228 169 S C 1.856 176.503 174.600 0.078 0.000 1.027 169 S CA 1.465 59.722 58.200 0.096 0.000 0.991 169 S CB -0.635 62.603 63.200 0.062 0.000 0.823 169 S HN 0.378 nan 8.310 nan 0.000 0.469 170 V N 1.882 121.850 119.914 0.090 0.000 2.407 170 V HA -0.081 4.040 4.120 0.000 0.000 0.248 170 V C 2.441 178.580 176.094 0.075 0.000 1.055 170 V CA 1.742 64.090 62.300 0.081 0.000 1.049 170 V CB -0.706 31.182 31.823 0.109 0.000 0.662 170 V HN 0.510 nan 8.190 nan 0.000 0.455 171 L N -0.910 120.366 121.223 0.088 0.000 2.291 171 L HA -0.069 4.271 4.340 0.000 0.000 0.214 171 L C 2.202 179.112 176.870 0.066 0.000 1.120 171 L CA 0.710 55.593 54.840 0.072 0.000 0.799 171 L CB -0.323 41.781 42.059 0.074 0.000 0.925 171 L HN 0.195 nan 8.230 nan 0.000 0.446 172 V N -1.660 118.298 119.914 0.074 0.000 2.949 172 V HA -0.003 4.117 4.120 0.000 0.000 0.245 172 V C 0.957 177.091 176.094 0.068 0.000 1.086 172 V CA 0.635 62.981 62.300 0.077 0.000 1.097 172 V CB 0.029 31.909 31.823 0.096 0.000 0.762 172 V HN 0.273 nan 8.190 nan 0.000 0.470 173 D N 0.744 121.172 120.400 0.048 0.000 2.376 173 D HA 0.056 4.696 4.640 0.000 0.000 0.268 173 D C 0.774 177.079 176.300 0.009 0.000 1.252 173 D CA 0.216 54.225 54.000 0.014 0.000 1.041 173 D CB 0.120 40.912 40.800 -0.013 0.000 1.109 173 D HN 0.308 nan 8.370 nan 0.000 0.552 174 D N -1.125 119.254 120.400 -0.035 0.000 2.344 174 D HA -0.040 4.600 4.640 0.000 0.000 0.242 174 D C -0.370 175.932 176.300 0.002 0.000 1.159 174 D CA -0.172 53.820 54.000 -0.014 0.000 0.859 174 D CB -0.521 40.240 40.800 -0.065 0.000 0.925 174 D HN -0.079 nan 8.370 nan 0.000 0.510 175 S N 1.785 117.490 115.700 0.009 0.000 2.563 175 S HA 0.194 4.664 4.470 0.000 0.000 0.284 175 S C -2.120 172.495 174.600 0.025 0.000 1.331 175 S CA -0.775 57.435 58.200 0.017 0.000 1.047 175 S CB 0.482 63.698 63.200 0.027 0.000 0.859 175 S HN 0.242 nan 8.310 nan 0.000 0.514 176 P HA 0.164 nan 4.420 nan 0.000 0.270 176 P C 0.394 177.713 177.300 0.031 0.000 1.223 176 P CA -0.226 62.890 63.100 0.027 0.000 0.785 176 P CB 0.333 32.046 31.700 0.023 0.000 0.923 177 A N 1.617 124.457 122.820 0.033 0.000 1.940 177 A HA -0.211 4.109 4.320 0.000 0.000 0.219 177 A C 1.654 179.258 177.584 0.033 0.000 1.176 177 A CA 1.921 53.981 52.037 0.039 0.000 0.631 177 A CB -1.184 17.842 19.000 0.044 0.000 0.814 177 A HN 0.485 nan 8.150 nan 0.000 0.446 178 D N 0.173 120.589 120.400 0.027 0.000 2.144 178 D HA -0.094 4.546 4.640 0.000 0.000 0.200 178 D C 1.282 177.594 176.300 0.020 0.000 0.978 178 D CA 1.342 55.355 54.000 0.021 0.000 0.833 178 D CB -0.403 40.407 40.800 0.017 0.000 0.961 178 D HN 0.390 nan 8.370 nan 0.000 0.470 179 D N 0.517 120.932 120.400 0.026 0.000 2.144 179 D HA -0.087 4.553 4.640 0.000 0.000 0.199 179 D C 1.922 178.244 176.300 0.035 0.000 0.984 179 D CA 0.830 54.849 54.000 0.032 0.000 0.834 179 D CB -0.021 40.800 40.800 0.035 0.000 0.955 179 D HN 0.225 nan 8.370 nan 0.000 0.465 180 K N 0.315 120.736 120.400 0.035 0.000 2.062 180 K HA -0.032 4.288 4.320 0.000 0.000 0.205 180 K C 1.814 178.426 176.600 0.020 0.000 1.051 180 K CA 0.551 56.860 56.287 0.036 0.000 0.941 180 K CB -0.066 32.458 32.500 0.040 0.000 0.719 180 K HN 0.061 nan 8.250 nan 0.000 0.440 181 N N 1.239 119.948 118.700 0.016 0.000 2.104 181 N HA -0.165 4.576 4.740 0.000 0.000 0.190 181 N C 1.792 177.286 175.510 -0.026 0.000 1.024 181 N CA 1.465 54.515 53.050 -0.000 0.000 0.853 181 N CB -0.219 38.273 38.487 0.009 0.000 1.008 181 N HN 0.195 nan 8.380 nan 0.000 0.424 182 A N 1.057 123.864 122.820 -0.021 0.000 1.877 182 A HA 0.027 4.347 4.320 0.000 0.000 0.216 182 A C 2.406 179.932 177.584 -0.097 0.000 1.186 182 A CA 1.969 53.978 52.037 -0.045 0.000 0.620 182 A CB -0.915 18.076 19.000 -0.014 0.000 0.822 182 A HN 0.319 nan 8.150 nan 0.000 0.443 183 A N -0.819 121.971 122.820 -0.049 0.000 1.940 183 A HA -0.183 4.137 4.320 0.000 0.000 0.219 183 A C 2.287 179.787 177.584 -0.140 0.000 1.176 183 A CA 1.971 53.966 52.037 -0.071 0.000 0.631 183 A CB -0.534 18.530 19.000 0.106 0.000 0.814 183 A HN 0.594 nan 8.150 nan 0.000 0.446 184 M N -0.580 118.980 119.600 -0.067 0.000 2.132 184 M HA -0.089 4.391 4.480 0.000 0.000 0.263 184 M C 2.144 178.396 176.300 -0.080 0.000 1.065 184 M CA 1.697 56.969 55.300 -0.047 0.000 1.122 184 M CB -0.456 32.130 32.600 -0.024 0.000 1.365 184 M HN 0.455 nan 8.290 nan 0.000 0.411 185 G N 0.579 109.308 108.800 -0.119 0.000 2.446 185 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 185 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 185 G C 1.548 176.337 174.900 -0.186 0.000 1.168 185 G CA 0.949 45.971 45.100 -0.129 0.000 0.771 185 G HN 0.448 nan 8.290 nan 0.000 0.551 186 K N -0.258 119.901 120.400 -0.402 0.000 2.057 186 K HA 0.143 4.463 4.320 0.000 0.000 0.206 186 K C 2.498 178.588 176.600 -0.850 0.000 1.050 186 K CA 0.527 56.354 56.287 -0.768 0.000 0.935 186 K CB -0.304 31.347 32.500 -1.415 0.000 0.715 186 K HN 0.225 nan 8.250 nan 0.000 0.439 187 L N 0.737 121.588 121.223 -0.620 0.000 2.017 187 L HA -0.242 4.098 4.340 0.000 0.000 0.208 187 L C 2.837 179.730 176.870 0.039 0.000 1.073 187 L CA 1.379 56.147 54.840 -0.121 0.000 0.745 187 L CB -0.493 41.605 42.059 0.065 0.000 0.894 187 L HN 0.438 nan 8.230 nan 0.000 0.432 188 H N -0.243 118.779 119.070 -0.080 0.000 2.319 188 H HA -0.161 4.395 4.556 0.000 0.000 0.299 188 H C 1.900 177.210 175.328 -0.029 0.000 1.092 188 H CA 1.933 57.957 56.048 -0.040 0.000 1.302 188 H CB -0.077 29.652 29.762 -0.056 0.000 1.373 188 H HN 0.359 nan 8.280 nan 0.000 0.497 189 G N -0.318 108.530 108.800 0.080 0.000 2.421 189 G HA2 -0.341 3.619 3.960 0.000 0.000 0.216 189 G HA3 -0.341 3.619 3.960 0.000 0.000 0.216 189 G C 1.771 176.674 174.900 0.006 0.000 1.171 189 G CA 0.845 45.965 45.100 0.034 0.000 0.775 189 G HN 0.562 nan 8.290 nan 0.000 0.543 190 Y N 1.128 121.396 120.300 -0.052 0.000 2.114 190 Y HA -0.133 4.417 4.550 0.000 0.000 0.282 190 Y C 2.553 178.479 175.900 0.043 0.000 1.165 190 Y CA 1.752 59.897 58.100 0.075 0.000 1.148 190 Y CB -0.265 38.363 38.460 0.280 0.000 0.972 190 Y HN 0.123 nan 8.280 nan 0.000 0.504 191 L N -1.370 119.862 121.223 0.015 0.000 2.109 191 L HA -0.178 4.162 4.340 0.000 0.000 0.207 191 L C 2.767 179.517 176.870 -0.200 0.000 1.086 191 L CA 1.300 56.082 54.840 -0.097 0.000 0.760 191 L CB -0.763 41.289 42.059 -0.012 0.000 0.910 191 L HN 0.150 nan 8.230 nan 0.000 0.437 192 S N -0.198 115.356 115.700 -0.244 0.000 2.359 192 S HA -0.208 4.262 4.470 0.000 0.000 0.224 192 S C 1.569 176.073 174.600 -0.160 0.000 1.035 192 S CA 1.707 59.771 58.200 -0.227 0.000 1.018 192 S CB -0.174 62.868 63.200 -0.264 0.000 0.876 192 S HN 0.424 nan 8.310 nan 0.000 0.448 193 D N 1.094 121.395 120.400 -0.166 0.000 2.117 193 D HA -0.030 4.610 4.640 0.000 0.000 0.198 193 D C 1.974 178.164 176.300 -0.184 0.000 0.982 193 D CA 0.441 54.353 54.000 -0.146 0.000 0.828 193 D CB -0.547 40.181 40.800 -0.121 0.000 0.967 193 D HN 0.294 nan 8.370 nan 0.000 0.464 194 L N 0.515 121.557 121.223 -0.302 0.000 2.013 194 L HA -0.195 4.145 4.340 0.000 0.000 0.212 194 L C 2.328 179.114 176.870 -0.140 0.000 1.073 194 L CA 1.191 55.873 54.840 -0.263 0.000 0.753 194 L CB -0.269 41.576 42.059 -0.355 0.000 0.890 194 L HN 0.077 nan 8.230 nan 0.000 0.432 195 L N -0.708 120.438 121.223 -0.128 0.000 2.083 195 L HA -0.213 4.127 4.340 0.000 0.000 0.209 195 L C 2.682 179.513 176.870 -0.066 0.000 1.083 195 L CA 0.950 55.739 54.840 -0.084 0.000 0.752 195 L CB -0.572 41.437 42.059 -0.083 0.000 0.899 195 L HN 0.279 nan 8.230 nan 0.000 0.433 196 E N 0.394 120.551 120.200 -0.072 0.000 2.085 196 E HA -0.213 4.137 4.350 0.000 0.000 0.194 196 E C 2.323 178.898 176.600 -0.042 0.000 0.994 196 E CA 1.250 57.619 56.400 -0.051 0.000 0.801 196 E CB -0.143 29.527 29.700 -0.049 0.000 0.743 196 E HN 0.493 nan 8.360 nan 0.000 0.453 197 R N 0.616 121.085 120.500 -0.050 0.000 2.092 197 R HA -0.043 4.297 4.340 0.000 0.000 0.231 197 R C 2.352 178.635 176.300 -0.027 0.000 1.119 197 R CA 0.872 56.951 56.100 -0.036 0.000 0.970 197 R CB -0.114 30.163 30.300 -0.039 0.000 0.864 197 R HN 0.080 nan 8.270 nan 0.000 0.440 198 K N 0.332 120.712 120.400 -0.033 0.000 2.211 198 K HA -0.111 4.209 4.320 0.000 0.000 0.203 198 K C 2.105 178.694 176.600 -0.019 0.000 1.050 198 K CA 0.704 56.978 56.287 -0.023 0.000 0.945 198 K CB -0.058 32.427 32.500 -0.026 0.000 0.732 198 K HN 0.080 nan 8.250 nan 0.000 0.451 199 R N 0.598 121.085 120.500 -0.022 0.000 2.096 199 R HA -0.119 4.221 4.340 0.000 0.000 0.235 199 R C 1.697 177.989 176.300 -0.013 0.000 1.127 199 R CA 1.793 57.882 56.100 -0.017 0.000 0.968 199 R CB -0.055 30.233 30.300 -0.019 0.000 0.861 199 R HN 0.099 nan 8.270 nan 0.000 0.440 200 T N 0.184 114.730 114.554 -0.013 0.000 2.851 200 T HA -0.024 4.326 4.350 0.000 0.000 0.262 200 T C 0.008 174.705 174.700 -0.006 0.000 1.043 200 T CA 1.025 63.120 62.100 -0.009 0.000 1.140 200 T CB 0.106 68.970 68.868 -0.008 0.000 0.872 200 T HN 0.362 nan 8.240 nan 0.000 0.446 201 E N 1.799 121.996 120.200 -0.006 0.000 2.795 201 E HA 0.287 4.637 4.350 0.000 0.000 0.226 201 E C -2.820 173.778 176.600 -0.003 0.000 1.088 201 E CA -1.853 54.545 56.400 -0.003 0.000 0.812 201 E CB 1.360 31.060 29.700 0.000 0.000 1.328 201 E HN 0.260 nan 8.360 nan 0.000 0.410 202 P HA 0.024 nan 4.420 nan 0.000 0.272 202 P C -0.703 176.595 177.300 -0.002 0.000 1.230 202 P CA -0.072 63.025 63.100 -0.005 0.000 0.788 202 P CB 0.696 32.392 31.700 -0.006 0.000 0.949 203 D N -1.295 119.104 120.400 -0.002 0.000 2.758 203 D HA 0.273 4.914 4.640 0.000 0.000 0.279 203 D C -0.412 175.885 176.300 -0.005 0.000 1.111 203 D CA -0.431 53.568 54.000 -0.001 0.000 1.109 203 D CB -0.058 40.744 40.800 0.003 0.000 1.428 203 D HN 0.073 nan 8.370 nan 0.000 0.586 204 D N -0.892 119.504 120.400 -0.006 0.000 2.368 204 D HA 0.391 5.031 4.640 0.000 0.000 0.218 204 D C 0.129 176.420 176.300 -0.016 0.000 1.112 204 D CA -0.144 53.849 54.000 -0.011 0.000 0.834 204 D CB 0.404 41.197 40.800 -0.013 0.000 0.953 204 D HN 0.497 nan 8.370 nan 0.000 0.505 205 A N 0.100 122.913 122.820 -0.012 0.000 2.239 205 A HA 0.369 4.689 4.320 0.000 0.000 0.303 205 A C 1.358 178.935 177.584 -0.011 0.000 1.114 205 A CA -0.525 51.503 52.037 -0.015 0.000 0.871 205 A CB 0.575 19.572 19.000 -0.006 0.000 1.201 205 A HN 0.144 nan 8.150 nan 0.000 0.506 206 L N -0.480 120.738 121.223 -0.008 0.000 2.083 206 L HA -0.129 4.211 4.340 0.000 0.000 0.209 206 L C 2.192 179.071 176.870 0.015 0.000 1.083 206 L CA 1.296 56.140 54.840 0.007 0.000 0.752 206 L CB -0.349 41.731 42.059 0.036 0.000 0.899 206 L HN 0.751 nan 8.230 nan 0.000 0.433 207 L N -1.433 119.797 121.223 0.011 0.000 2.056 207 L HA -0.206 4.134 4.340 0.000 0.000 0.207 207 L C 2.646 179.513 176.870 -0.004 0.000 1.078 207 L CA 0.986 55.828 54.840 0.003 0.000 0.749 207 L CB -0.517 41.539 42.059 -0.005 0.000 0.901 207 L HN 0.169 nan 8.230 nan 0.000 0.433 208 S N -0.449 115.247 115.700 -0.005 0.000 2.359 208 S HA -0.181 4.289 4.470 0.000 0.000 0.224 208 S C 2.224 176.820 174.600 -0.006 0.000 1.035 208 S CA 1.622 59.817 58.200 -0.008 0.000 1.018 208 S CB -0.116 63.080 63.200 -0.007 0.000 0.876 208 S HN 0.380 nan 8.310 nan 0.000 0.448 209 S N 1.832 117.529 115.700 -0.004 0.000 2.353 209 S HA -0.043 4.427 4.470 0.000 0.000 0.222 209 S C 1.829 176.429 174.600 -0.000 0.000 1.035 209 S CA 1.174 59.372 58.200 -0.003 0.000 1.025 209 S CB -0.538 62.660 63.200 -0.004 0.000 0.902 209 S HN 0.381 nan 8.310 nan 0.000 0.440 210 L N 1.039 122.265 121.223 0.004 0.000 2.141 210 L HA -0.036 4.304 4.340 0.000 0.000 0.209 210 L C 2.410 179.278 176.870 -0.003 0.000 1.094 210 L CA 0.743 55.586 54.840 0.004 0.000 0.763 210 L CB -0.496 41.570 42.059 0.011 0.000 0.908 210 L HN 0.299 nan 8.230 nan 0.000 0.437 211 L N -0.035 121.184 121.223 -0.007 0.000 2.017 211 L HA -0.240 4.101 4.340 0.000 0.000 0.208 211 L C 2.808 179.672 176.870 -0.010 0.000 1.073 211 L CA 1.592 56.425 54.840 -0.012 0.000 0.745 211 L CB -0.349 41.700 42.059 -0.017 0.000 0.894 211 L HN 0.282 nan 8.230 nan 0.000 0.432 212 A N -0.715 122.101 122.820 -0.008 0.000 1.908 212 A HA -0.196 4.124 4.320 0.000 0.000 0.218 212 A C 2.205 179.785 177.584 -0.006 0.000 1.181 212 A CA 2.006 54.039 52.037 -0.007 0.000 0.627 212 A CB -0.910 18.086 19.000 -0.006 0.000 0.818 212 A HN 0.332 nan 8.150 nan 0.000 0.445 213 V N -0.690 119.221 119.914 -0.004 0.000 2.295 213 V HA -0.223 3.897 4.120 0.000 0.000 0.246 213 V C 2.807 178.898 176.094 -0.004 0.000 1.049 213 V CA 2.344 64.641 62.300 -0.004 0.000 1.024 213 V CB -0.812 31.010 31.823 -0.002 0.000 0.648 213 V HN 0.653 nan 8.190 nan 0.000 0.447 214 S N -0.444 115.253 115.700 -0.005 0.000 2.359 214 S HA -0.258 4.212 4.470 0.000 0.000 0.224 214 S C 1.791 176.387 174.600 -0.006 0.000 1.035 214 S CA 1.967 60.163 58.200 -0.006 0.000 1.018 214 S CB -0.499 62.696 63.200 -0.008 0.000 0.876 214 S HN 0.654 nan 8.310 nan 0.000 0.448 215 D N 0.816 121.212 120.400 -0.007 0.000 2.123 215 D HA -0.099 4.541 4.640 0.000 0.000 0.196 215 D C 1.949 178.246 176.300 -0.005 0.000 0.992 215 D CA 1.314 55.310 54.000 -0.007 0.000 0.833 215 D CB -0.309 40.487 40.800 -0.008 0.000 0.954 215 D HN 0.474 nan 8.370 nan 0.000 0.455 216 M N -0.578 119.019 119.600 -0.005 0.000 2.156 216 M HA -0.078 4.402 4.480 0.000 0.000 0.264 216 M C 0.207 176.505 176.300 -0.003 0.000 1.067 216 M CA 0.910 56.207 55.300 -0.004 0.000 1.131 216 M CB 0.375 32.973 32.600 -0.004 0.000 1.368 216 M HN -0.208 nan 8.290 nan 0.000 0.416 217 D N -0.533 119.865 120.400 -0.003 0.000 2.381 217 D HA 0.237 4.877 4.640 0.000 0.000 0.245 217 D C 0.705 177.003 176.300 -0.003 0.000 1.297 217 D CA -0.072 53.926 54.000 -0.003 0.000 0.931 217 D CB 0.708 41.506 40.800 -0.003 0.000 1.334 217 D HN 0.163 nan 8.370 nan 0.000 0.535 218 G N 1.872 110.671 108.800 -0.002 0.000 2.475 218 G HA2 -0.277 3.683 3.960 0.000 0.000 0.220 218 G HA3 -0.277 3.683 3.960 0.000 0.000 0.220 218 G C 1.111 176.011 174.900 -0.000 0.000 1.125 218 G CA 0.607 45.706 45.100 -0.001 0.000 0.755 218 G HN 0.407 nan 8.290 nan 0.000 0.565 219 D N -0.118 120.282 120.400 -0.000 0.000 2.219 219 D HA -0.041 4.600 4.640 0.000 0.000 0.205 219 D C 2.489 178.788 176.300 -0.001 0.000 0.970 219 D CA 0.659 54.659 54.000 0.000 0.000 0.851 219 D CB -0.042 40.758 40.800 0.000 0.000 0.943 219 D HN 0.277 nan 8.370 nan 0.000 0.488 220 R N 0.136 120.634 120.500 -0.003 0.000 2.062 220 R HA 0.086 4.426 4.340 0.000 0.000 0.226 220 R C -0.045 176.251 176.300 -0.006 0.000 1.125 220 R CA 0.738 56.834 56.100 -0.005 0.000 0.966 220 R CB -0.102 30.195 30.300 -0.006 0.000 0.861 220 R HN 0.116 nan 8.270 nan 0.000 0.433 221 L N 1.267 122.487 121.223 -0.005 0.000 2.555 221 L HA 0.411 4.751 4.340 0.000 0.000 0.264 221 L C -0.980 175.888 176.870 -0.003 0.000 0.972 221 L CA -0.305 54.533 54.840 -0.004 0.000 0.876 221 L CB 1.580 43.636 42.059 -0.005 0.000 1.216 221 L HN 0.332 nan 8.230 nan 0.000 0.415 222 S N 2.423 118.123 115.700 0.000 0.000 2.600 222 S HA 0.214 4.684 4.470 0.000 0.000 0.265 222 S C 0.969 175.569 174.600 0.001 0.000 1.325 222 S CA 0.310 58.512 58.200 0.002 0.000 1.002 222 S CB 1.233 64.437 63.200 0.007 0.000 0.921 222 S HN 0.737 nan 8.310 nan 0.000 0.554 223 Q N 0.777 120.577 119.800 0.001 0.000 2.077 223 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 223 Q C 1.754 177.754 176.000 0.000 0.000 0.989 223 Q CA 2.270 58.070 55.803 -0.005 0.000 0.853 223 Q CB -0.390 28.346 28.738 -0.003 0.000 0.907 223 Q HN 0.804 nan 8.270 nan 0.000 0.418 224 E N 0.320 120.533 120.200 0.022 0.000 2.072 224 E HA -0.151 4.199 4.350 0.000 0.000 0.190 224 E C 1.966 178.585 176.600 0.033 0.000 0.982 224 E CA 1.189 57.620 56.400 0.051 0.000 0.803 224 E CB -0.123 29.619 29.700 0.069 0.000 0.755 224 E HN 0.603 nan 8.360 nan 0.000 0.453 225 E N 0.626 120.836 120.200 0.017 0.000 2.085 225 E HA -0.189 4.161 4.350 0.000 0.000 0.194 225 E C 2.128 178.728 176.600 -0.000 0.000 0.994 225 E CA 0.767 57.172 56.400 0.008 0.000 0.801 225 E CB -0.140 29.563 29.700 0.004 0.000 0.743 225 E HN 0.048 nan 8.360 nan 0.000 0.453 226 L N 0.568 121.787 121.223 -0.006 0.000 2.017 226 L HA -0.163 4.177 4.340 0.000 0.000 0.208 226 L C 2.172 179.027 176.870 -0.025 0.000 1.073 226 L CA 1.462 56.293 54.840 -0.015 0.000 0.745 226 L CB -0.368 41.680 42.059 -0.019 0.000 0.894 226 L HN -0.054 nan 8.230 nan 0.000 0.432 227 V N 0.293 120.182 119.914 -0.041 0.000 2.343 227 V HA -0.272 3.848 4.120 0.000 0.000 0.247 227 V C 2.833 178.911 176.094 -0.025 0.000 1.051 227 V CA 1.651 63.906 62.300 -0.076 0.000 1.036 227 V CB -1.405 30.307 31.823 -0.186 0.000 0.654 227 V HN 0.631 nan 8.190 nan 0.000 0.451 228 A N -0.665 122.160 122.820 0.009 0.000 1.969 228 A HA -0.242 4.078 4.320 0.000 0.000 0.218 228 A C 2.139 179.724 177.584 0.003 0.000 1.169 228 A CA 2.226 54.274 52.037 0.020 0.000 0.635 228 A CB -0.501 18.511 19.000 0.021 0.000 0.810 228 A HN 0.483 nan 8.150 nan 0.000 0.445 229 M N 0.293 119.891 119.600 -0.003 0.000 2.086 229 M HA -0.023 4.457 4.480 0.000 0.000 0.261 229 M C 2.181 178.477 176.300 -0.007 0.000 1.067 229 M CA 1.802 57.097 55.300 -0.008 0.000 1.116 229 M CB -0.625 31.972 32.600 -0.006 0.000 1.348 229 M HN 0.364 nan 8.290 nan 0.000 0.407 230 A N 0.027 122.842 122.820 -0.008 0.000 1.892 230 A HA -0.258 4.063 4.320 0.000 0.000 0.218 230 A C 2.379 179.956 177.584 -0.012 0.000 1.188 230 A CA 2.338 54.369 52.037 -0.010 0.000 0.631 230 A CB -0.968 18.019 19.000 -0.021 0.000 0.822 230 A HN 0.704 nan 8.150 nan 0.000 0.447 231 M N -1.140 118.458 119.600 -0.004 0.000 2.086 231 M HA -0.128 4.352 4.480 0.000 0.000 0.261 231 M C 2.107 178.409 176.300 0.003 0.000 1.067 231 M CA 2.070 57.374 55.300 0.006 0.000 1.116 231 M CB -0.227 32.389 32.600 0.027 0.000 1.348 231 M HN 0.424 nan 8.290 nan 0.000 0.407 232 L N 0.953 122.176 121.223 0.000 0.000 1.989 232 L HA -0.209 4.131 4.340 0.000 0.000 0.211 232 L C 2.013 178.878 176.870 -0.009 0.000 1.071 232 L CA 1.993 56.831 54.840 -0.004 0.000 0.749 232 L CB -0.857 41.194 42.059 -0.013 0.000 0.890 232 L HN 0.389 nan 8.230 nan 0.000 0.431 233 L N -1.009 120.204 121.223 -0.017 0.000 2.093 233 L HA -0.171 4.169 4.340 0.000 0.000 0.208 233 L C 2.450 179.338 176.870 0.030 0.000 1.085 233 L CA 0.878 55.712 54.840 -0.011 0.000 0.755 233 L CB -0.858 41.207 42.059 0.009 0.000 0.904 233 L HN 0.435 nan 8.230 nan 0.000 0.435 234 L N 0.220 121.451 121.223 0.013 0.000 2.056 234 L HA -0.139 4.202 4.340 0.000 0.000 0.207 234 L C 2.219 179.139 176.870 0.083 0.000 1.078 234 L CA 1.760 56.612 54.840 0.020 0.000 0.749 234 L CB -0.732 41.250 42.059 -0.128 0.000 0.901 234 L HN 0.114 nan 8.230 nan 0.000 0.433 235 I N 0.436 121.028 120.570 0.037 0.000 2.252 235 I HA -0.197 3.973 4.170 0.000 0.000 0.245 235 I C 2.710 178.895 176.117 0.113 0.000 1.102 235 I CA 1.147 62.487 61.300 0.066 0.000 1.385 235 I CB -0.709 37.321 38.000 0.050 0.000 1.064 235 I HN 0.353 nan 8.210 nan 0.000 0.414 236 A N 0.863 123.728 122.820 0.076 0.000 1.940 236 A HA -0.170 4.150 4.320 0.000 0.000 0.219 236 A C 2.360 179.996 177.584 0.087 0.000 1.176 236 A CA 2.015 54.092 52.037 0.068 0.000 0.631 236 A CB -1.380 17.630 19.000 0.016 0.000 0.814 236 A HN 0.490 nan 8.150 nan 0.000 0.446 237 G N -2.754 106.112 108.800 0.110 0.000 2.650 237 G HA2 -0.043 3.917 3.960 0.000 0.000 0.214 237 G HA3 -0.043 3.917 3.960 0.000 0.000 0.214 237 G C 1.339 176.239 174.900 0.000 0.000 1.136 237 G CA 0.766 45.908 45.100 0.070 0.000 0.789 237 G HN 0.748 nan 8.290 nan 0.000 0.536 238 H N -0.575 118.490 119.070 -0.008 0.000 2.604 238 H HA 0.137 4.693 4.556 0.000 0.000 0.273 238 H C 1.225 176.601 175.328 0.079 0.000 0.971 238 H CA 0.556 56.598 56.048 -0.009 0.000 1.249 238 H CB 0.938 30.767 29.762 0.113 0.000 1.449 238 H HN 0.274 nan 8.280 nan 0.000 0.512 239 E N 0.441 120.765 120.200 0.206 0.000 2.562 239 E HA 0.055 4.405 4.350 0.000 0.000 0.214 239 E C 1.336 178.021 176.600 0.141 0.000 0.979 239 E CA 0.331 56.841 56.400 0.184 0.000 1.002 239 E CB 1.016 30.818 29.700 0.170 0.000 1.048 239 E HN 0.499 nan 8.360 nan 0.000 0.488 240 T N -2.905 111.719 114.554 0.118 0.000 3.311 240 T HA 0.015 4.365 4.350 0.000 0.000 0.239 240 T C 1.994 176.757 174.700 0.105 0.000 0.976 240 T CA 0.712 62.882 62.100 0.116 0.000 1.283 240 T CB -0.521 68.421 68.868 0.123 0.000 1.113 240 T HN -0.157 nan 8.240 nan 0.000 0.392 241 T N 2.441 117.047 114.554 0.087 0.000 2.759 241 T HA -0.085 4.265 4.350 0.000 0.000 0.269 241 T C 1.988 176.720 174.700 0.053 0.000 1.042 241 T CA 1.286 63.430 62.100 0.073 0.000 1.140 241 T CB -0.793 68.103 68.868 0.047 0.000 0.864 241 T HN 0.234 nan 8.240 nan 0.000 0.455 242 V N 2.684 122.625 119.914 0.045 0.000 2.317 242 V HA -0.267 3.853 4.120 0.000 0.000 0.251 242 V C 1.953 178.098 176.094 0.086 0.000 1.065 242 V CA 2.010 64.349 62.300 0.064 0.000 1.049 242 V CB -0.491 31.408 31.823 0.126 0.000 0.651 242 V HN 0.488 nan 8.190 nan 0.000 0.450 243 N N -0.360 118.400 118.700 0.100 0.000 2.416 243 N HA -0.037 4.703 4.740 0.000 0.000 0.177 243 N C 1.564 177.131 175.510 0.095 0.000 1.036 243 N CA 1.278 54.394 53.050 0.109 0.000 0.901 243 N CB -0.203 38.364 38.487 0.133 0.000 0.976 243 N HN 0.515 nan 8.380 nan 0.000 0.444 244 L N 1.503 122.775 121.223 0.082 0.000 1.994 244 L HA -0.028 4.312 4.340 0.000 0.000 0.208 244 L C 1.878 178.780 176.870 0.053 0.000 1.071 244 L CA 1.447 56.330 54.840 0.072 0.000 0.745 244 L CB -0.670 41.437 42.059 0.081 0.000 0.892 244 L HN 0.002 nan 8.230 nan 0.000 0.431 245 I N -0.357 120.247 120.570 0.056 0.000 2.142 245 I HA -0.187 3.983 4.170 0.000 0.000 0.240 245 I C 2.576 178.717 176.117 0.041 0.000 1.078 245 I CA 1.330 62.661 61.300 0.053 0.000 1.343 245 I CB -1.370 36.663 38.000 0.054 0.000 1.046 245 I HN 0.410 nan 8.210 nan 0.000 0.405 246 G N 1.272 110.107 108.800 0.059 0.000 2.514 246 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 246 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 246 G C 1.423 176.346 174.900 0.039 0.000 1.198 246 G CA 1.246 46.380 45.100 0.055 0.000 0.780 246 G HN 0.312 nan 8.290 nan 0.000 0.565 247 N N 1.146 119.880 118.700 0.057 0.000 2.188 247 N HA -0.055 4.685 4.740 0.000 0.000 0.184 247 N C 2.284 177.756 175.510 -0.063 0.000 1.018 247 N CA 1.288 54.385 53.050 0.079 0.000 0.858 247 N CB -0.849 37.726 38.487 0.146 0.000 0.989 247 N HN 0.338 nan 8.380 nan 0.000 0.426 248 G N 0.864 109.510 108.800 -0.258 0.000 2.414 248 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 248 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 248 G C 1.711 176.140 174.900 -0.786 0.000 1.188 248 G CA 0.796 45.307 45.100 -0.982 0.000 0.783 248 G HN 0.170 nan 8.290 nan 0.000 0.537 249 V N 0.880 120.641 119.914 -0.255 0.000 2.231 249 V HA -0.188 3.932 4.120 0.000 0.000 0.248 249 V C 2.733 178.864 176.094 0.062 0.000 1.054 249 V CA 1.848 64.187 62.300 0.064 0.000 1.015 249 V CB -0.637 31.277 31.823 0.152 0.000 0.638 249 V HN 0.339 nan 8.190 nan 0.000 0.444 250 L N 0.601 121.846 121.223 0.037 0.000 2.043 250 L HA -0.184 4.156 4.340 0.000 0.000 0.212 250 L C 2.437 179.377 176.870 0.116 0.000 1.075 250 L CA 2.400 57.295 54.840 0.091 0.000 0.752 250 L CB -1.011 41.120 42.059 0.119 0.000 0.891 250 L HN 0.266 nan 8.230 nan 0.000 0.432 251 A N -0.519 122.327 122.820 0.044 0.000 1.851 251 A HA -0.227 4.093 4.320 0.000 0.000 0.216 251 A C 2.279 179.909 177.584 0.077 0.000 1.195 251 A CA 2.196 54.272 52.037 0.065 0.000 0.622 251 A CB -1.027 17.940 19.000 -0.054 0.000 0.831 251 A HN 0.485 nan 8.150 nan 0.000 0.444 252 L N -0.685 120.501 121.223 -0.062 0.000 2.012 252 L HA -0.227 4.113 4.340 0.000 0.000 0.210 252 L C 2.620 179.529 176.870 0.064 0.000 1.073 252 L CA 1.384 56.182 54.840 -0.071 0.000 0.748 252 L CB -0.588 41.221 42.059 -0.416 0.000 0.891 252 L HN 0.403 nan 8.230 nan 0.000 0.431 253 L N -0.623 120.694 121.223 0.156 0.000 2.141 253 L HA -0.155 4.185 4.340 0.000 0.000 0.209 253 L C 2.536 179.472 176.870 0.110 0.000 1.094 253 L CA 1.733 56.676 54.840 0.172 0.000 0.763 253 L CB -0.804 41.356 42.059 0.169 0.000 0.908 253 L HN 0.459 nan 8.230 nan 0.000 0.437 254 T N -5.175 109.454 114.554 0.125 0.000 3.107 254 T HA -0.012 4.338 4.350 0.000 0.000 0.249 254 T C 0.327 174.936 174.700 -0.152 0.000 1.096 254 T CA 0.096 62.215 62.100 0.031 0.000 1.012 254 T CB -0.257 68.648 68.868 0.062 0.000 0.977 254 T HN 0.249 nan 8.240 nan 0.000 0.527 255 H N 1.197 120.264 119.070 -0.005 0.000 2.423 255 H HA 0.378 4.934 4.556 0.000 0.000 0.237 255 H C -2.215 173.093 175.328 -0.032 0.000 1.391 255 H CA -2.030 53.997 56.048 -0.036 0.000 1.453 255 H CB 1.341 31.047 29.762 -0.093 0.000 1.484 255 H HN 0.102 nan 8.280 nan 0.000 0.505 256 P HA -0.200 nan 4.420 nan 0.000 0.218 256 P C 1.420 178.732 177.300 0.020 0.000 1.148 256 P CA 1.285 64.402 63.100 0.028 0.000 0.822 256 P CB 0.428 32.136 31.700 0.013 0.000 0.784 257 D N -0.417 119.996 120.400 0.021 0.000 2.116 257 D HA -0.233 4.407 4.640 0.000 0.000 0.193 257 D C 1.601 177.897 176.300 -0.005 0.000 0.998 257 D CA 1.476 55.481 54.000 0.009 0.000 0.836 257 D CB -0.879 39.927 40.800 0.010 0.000 0.951 257 D HN 0.165 nan 8.370 nan 0.000 0.449 258 Q N 0.305 120.105 119.800 -0.000 0.000 2.137 258 Q HA -0.027 4.313 4.340 0.000 0.000 0.198 258 Q C 2.415 178.379 176.000 -0.061 0.000 0.960 258 Q CA 0.565 56.342 55.803 -0.043 0.000 0.847 258 Q CB -0.354 28.341 28.738 -0.070 0.000 0.915 258 Q HN 0.476 nan 8.270 nan 0.000 0.448 259 R N 1.279 121.745 120.500 -0.056 0.000 2.096 259 R HA -0.214 4.126 4.340 0.000 0.000 0.240 259 R C 2.151 178.414 176.300 -0.062 0.000 1.139 259 R CA 1.963 57.998 56.100 -0.109 0.000 0.952 259 R CB -0.026 30.244 30.300 -0.051 0.000 0.854 259 R HN -0.047 nan 8.270 nan 0.000 0.436 260 K N 0.801 121.188 120.400 -0.022 0.000 2.044 260 K HA -0.146 4.174 4.320 0.000 0.000 0.210 260 K C 2.032 178.620 176.600 -0.020 0.000 1.049 260 K CA 1.685 57.966 56.287 -0.010 0.000 0.927 260 K CB -0.529 31.969 32.500 -0.003 0.000 0.713 260 K HN 0.313 nan 8.250 nan 0.000 0.443 261 L N 0.017 121.220 121.223 -0.033 0.000 2.083 261 L HA -0.134 4.206 4.340 0.000 0.000 0.209 261 L C 2.232 179.077 176.870 -0.042 0.000 1.083 261 L CA 0.889 55.706 54.840 -0.038 0.000 0.752 261 L CB -0.212 41.817 42.059 -0.051 0.000 0.899 261 L HN 0.298 nan 8.230 nan 0.000 0.433 262 L N -0.622 120.567 121.223 -0.058 0.000 2.109 262 L HA -0.055 4.285 4.340 0.000 0.000 0.207 262 L C 2.562 179.417 176.870 -0.024 0.000 1.086 262 L CA 1.741 56.548 54.840 -0.055 0.000 0.760 262 L CB -0.517 41.485 42.059 -0.095 0.000 0.910 262 L HN 0.148 nan 8.230 nan 0.000 0.437 263 A N -0.448 122.362 122.820 -0.016 0.000 1.892 263 A HA -0.268 4.052 4.320 0.000 0.000 0.218 263 A C 2.186 179.779 177.584 0.015 0.000 1.188 263 A CA 2.190 54.238 52.037 0.020 0.000 0.631 263 A CB -0.674 18.346 19.000 0.032 0.000 0.822 263 A HN 0.620 nan 8.150 nan 0.000 0.447 264 E N -1.303 118.899 120.200 0.003 0.000 2.216 264 E HA -0.058 4.292 4.350 0.000 0.000 0.192 264 E C -0.288 176.311 176.600 -0.001 0.000 0.988 264 E CA 0.716 57.117 56.400 0.002 0.000 0.834 264 E CB 0.175 29.873 29.700 -0.003 0.000 0.772 264 E HN 0.434 nan 8.360 nan 0.000 0.479 265 D N -0.756 119.640 120.400 -0.007 0.000 2.378 265 D HA 0.137 4.777 4.640 0.000 0.000 0.265 265 D C -2.215 174.081 176.300 -0.007 0.000 1.229 265 D CA -2.293 51.703 54.000 -0.008 0.000 0.914 265 D CB 1.267 42.057 40.800 -0.016 0.000 1.140 265 D HN -0.227 nan 8.370 nan 0.000 0.516 266 P HA -0.106 nan 4.420 nan 0.000 0.222 266 P C 1.364 178.673 177.300 0.014 0.000 1.147 266 P CA 0.623 63.734 63.100 0.019 0.000 0.790 266 P CB 0.351 32.070 31.700 0.032 0.000 0.780 267 S N -0.934 114.770 115.700 0.007 0.000 2.500 267 S HA -0.069 4.401 4.470 0.000 0.000 0.239 267 S C 1.590 176.184 174.600 -0.010 0.000 0.989 267 S CA 0.575 58.777 58.200 0.003 0.000 0.951 267 S CB -1.102 62.098 63.200 0.001 0.000 0.759 267 S HN 0.058 nan 8.310 nan 0.000 0.523 268 L N 0.647 121.856 121.223 -0.023 0.000 2.551 268 L HA 0.043 4.383 4.340 0.000 0.000 0.228 268 L C 2.136 178.969 176.870 -0.063 0.000 1.153 268 L CA 0.069 54.879 54.840 -0.050 0.000 0.851 268 L CB -0.444 41.574 42.059 -0.068 0.000 0.959 268 L HN 0.351 nan 8.230 nan 0.000 0.451 269 I N -0.124 120.431 120.570 -0.024 0.000 2.145 269 I HA -0.364 3.806 4.170 0.000 0.000 0.244 269 I C 2.529 178.633 176.117 -0.023 0.000 1.075 269 I CA 1.658 62.959 61.300 0.000 0.000 1.332 269 I CB -0.182 37.851 38.000 0.056 0.000 1.033 269 I HN 0.120 nan 8.210 nan 0.000 0.410 270 S N -0.587 115.106 115.700 -0.011 0.000 2.370 270 S HA -0.199 4.271 4.470 0.000 0.000 0.226 270 S C 2.173 176.745 174.600 -0.045 0.000 1.033 270 S CA 1.657 59.855 58.200 -0.004 0.000 1.011 270 S CB -0.459 62.751 63.200 0.016 0.000 0.852 270 S HN 0.562 nan 8.310 nan 0.000 0.457 271 S N 0.776 116.428 115.700 -0.079 0.000 2.371 271 S HA 0.070 4.540 4.470 0.000 0.000 0.224 271 S C 2.170 176.619 174.600 -0.252 0.000 1.029 271 S CA 0.850 58.980 58.200 -0.118 0.000 0.978 271 S CB -0.392 62.747 63.200 -0.102 0.000 0.833 271 S HN 0.547 nan 8.310 nan 0.000 0.466 272 A N 0.752 123.370 122.820 -0.336 0.000 1.908 272 A HA -0.076 4.244 4.320 0.000 0.000 0.218 272 A C 2.255 179.191 177.584 -1.080 0.000 1.181 272 A CA 1.776 53.375 52.037 -0.730 0.000 0.627 272 A CB -0.933 17.742 19.000 -0.541 0.000 0.818 272 A HN 0.404 nan 8.150 nan 0.000 0.445 273 V N 0.204 119.858 119.914 -0.433 0.000 2.358 273 V HA -0.180 3.940 4.120 0.000 0.000 0.246 273 V C 2.521 178.488 176.094 -0.211 0.000 1.047 273 V CA 2.006 64.220 62.300 -0.143 0.000 1.035 273 V CB -0.643 31.216 31.823 0.059 0.000 0.658 273 V HN 0.526 nan 8.190 nan 0.000 0.452 274 E N -0.035 120.044 120.200 -0.202 0.000 2.110 274 E HA -0.245 4.105 4.350 0.000 0.000 0.193 274 E C 2.171 178.640 176.600 -0.219 0.000 0.988 274 E CA 1.368 57.661 56.400 -0.179 0.000 0.804 274 E CB -0.131 29.578 29.700 0.016 0.000 0.745 274 E HN 0.655 nan 8.360 nan 0.000 0.458 275 E N 0.331 120.363 120.200 -0.279 0.000 2.107 275 E HA -0.079 4.271 4.350 0.000 0.000 0.191 275 E C 1.892 178.420 176.600 -0.120 0.000 0.982 275 E CA 0.807 57.071 56.400 -0.228 0.000 0.809 275 E CB -0.390 29.099 29.700 -0.350 0.000 0.756 275 E HN 0.270 nan 8.360 nan 0.000 0.459 276 F N 0.297 120.205 119.950 -0.071 0.000 2.095 276 F HA -0.163 4.364 4.527 0.000 0.000 0.298 276 F C 2.201 177.964 175.800 -0.062 0.000 1.104 276 F CA 0.546 58.531 58.000 -0.025 0.000 1.232 276 F CB -0.323 38.656 39.000 -0.034 0.000 0.987 276 F HN 0.012 nan 8.300 nan 0.000 0.475 277 L N -0.013 121.141 121.223 -0.114 0.000 2.042 277 L HA -0.253 4.087 4.340 0.000 0.000 0.210 277 L C 2.706 179.437 176.870 -0.233 0.000 1.076 277 L CA 1.411 55.959 54.840 -0.486 0.000 0.749 277 L CB -0.557 40.649 42.059 -1.423 0.000 0.893 277 L HN 0.128 nan 8.230 nan 0.000 0.432 278 R N -0.433 120.051 120.500 -0.027 0.000 2.062 278 R HA -0.183 4.158 4.340 0.000 0.000 0.229 278 R C 2.412 178.881 176.300 0.282 0.000 1.128 278 R CA 1.511 57.813 56.100 0.337 0.000 0.960 278 R CB -0.312 30.243 30.300 0.425 0.000 0.855 278 R HN 0.232 nan 8.270 nan 0.000 0.432 279 F N 0.783 120.785 119.950 0.087 0.000 2.206 279 F HA -0.044 4.483 4.527 0.000 0.000 0.298 279 F C 0.128 175.957 175.800 0.047 0.000 1.090 279 F CA 1.138 59.161 58.000 0.039 0.000 1.323 279 F CB 0.294 39.295 39.000 0.001 0.000 1.028 279 F HN -0.042 nan 8.300 nan 0.000 0.492 280 D N 0.209 120.712 120.400 0.172 0.000 2.517 280 D HA 0.172 4.812 4.640 0.000 0.000 0.263 280 D C -1.043 175.365 176.300 0.180 0.000 1.233 280 D CA -0.094 54.004 54.000 0.164 0.000 0.849 280 D CB 0.677 41.618 40.800 0.234 0.000 1.261 280 D HN -0.134 nan 8.370 nan 0.000 0.516 281 S N 2.486 118.287 115.700 0.169 0.000 2.515 281 S HA 0.114 4.584 4.470 0.000 0.000 0.285 281 S C -1.414 173.257 174.600 0.119 0.000 1.265 281 S CA -0.750 57.526 58.200 0.128 0.000 1.079 281 S CB 1.301 64.591 63.200 0.150 0.000 0.877 281 S HN 0.357 nan 8.310 nan 0.000 0.493 282 P HA -0.044 nan 4.420 nan 0.000 0.216 282 P C -0.052 177.321 177.300 0.122 0.000 1.150 282 P CA 0.699 63.865 63.100 0.109 0.000 0.837 282 P CB 0.123 31.872 31.700 0.081 0.000 0.786 283 V N 0.810 120.789 119.914 0.108 0.000 2.334 283 V HA 0.090 4.210 4.120 0.000 0.000 0.267 283 V C 1.497 177.666 176.094 0.125 0.000 1.040 283 V CA 0.319 62.693 62.300 0.122 0.000 0.866 283 V CB 0.681 32.572 31.823 0.114 0.000 1.019 283 V HN 0.135 nan 8.190 nan 0.000 0.468 284 S N 3.955 119.746 115.700 0.152 0.000 2.404 284 S HA 0.105 4.575 4.470 0.000 0.000 0.223 284 S C 0.598 175.268 174.600 0.116 0.000 1.040 284 S CA -0.030 58.260 58.200 0.149 0.000 0.957 284 S CB 0.086 63.432 63.200 0.243 0.000 0.826 284 S HN 0.654 nan 8.310 nan 0.000 0.491 285 Q N 0.820 120.712 119.800 0.154 0.000 2.340 285 Q HA 0.771 5.111 4.340 0.000 0.000 0.268 285 Q C -0.738 175.303 176.000 0.068 0.000 1.031 285 Q CA -0.163 55.697 55.803 0.096 0.000 0.804 285 Q CB 1.829 30.643 28.738 0.126 0.000 1.286 285 Q HN 0.482 nan 8.270 nan 0.000 0.448 286 A N 3.727 126.568 122.820 0.035 0.000 2.498 286 A HA 0.401 4.721 4.320 0.000 0.000 0.239 286 A C -2.058 175.515 177.584 -0.019 0.000 1.068 286 A CA -0.804 51.259 52.037 0.043 0.000 0.766 286 A CB -0.563 18.467 19.000 0.051 0.000 1.003 286 A HN 0.489 nan 8.150 nan 0.000 0.497 287 P HA 0.035 nan 4.420 nan 0.000 0.266 287 P C 0.230 177.458 177.300 -0.120 0.000 1.186 287 P CA 0.313 63.385 63.100 -0.047 0.000 0.767 287 P CB 0.076 31.755 31.700 -0.036 0.000 0.820 288 I N -0.374 120.097 120.570 -0.165 0.000 2.892 288 I HA 0.222 4.392 4.170 0.000 0.000 0.287 288 I C 0.377 176.235 176.117 -0.431 0.000 1.205 288 I CA -0.074 61.038 61.300 -0.314 0.000 1.409 288 I CB 0.383 38.144 38.000 -0.398 0.000 1.367 288 I HN 0.232 nan 8.210 nan 0.000 0.597 289 R N 3.292 123.486 120.500 -0.510 0.000 2.873 289 R HA 0.715 5.055 4.340 0.000 0.000 0.264 289 R C -1.551 174.355 176.300 -0.658 0.000 1.026 289 R CA -0.672 55.167 56.100 -0.435 0.000 1.002 289 R CB 1.883 32.039 30.300 -0.239 0.000 1.174 289 R HN 0.535 nan 8.270 nan 0.000 0.488 290 F N -0.299 119.659 119.950 0.014 0.000 2.529 290 F HA 0.253 4.780 4.527 0.000 0.000 0.320 290 F C 0.351 176.118 175.800 -0.054 0.000 1.118 290 F CA -1.014 57.009 58.000 0.038 0.000 0.915 290 F CB 2.149 41.242 39.000 0.154 0.000 1.161 290 F HN 0.397 nan 8.300 nan 0.000 0.445 291 T N -0.412 114.178 114.554 0.060 0.000 2.769 291 T HA 0.424 4.774 4.350 0.000 0.000 0.293 291 T C 0.857 175.481 174.700 -0.126 0.000 0.931 291 T CA -0.252 61.813 62.100 -0.057 0.000 1.139 291 T CB 1.373 70.185 68.868 -0.095 0.000 0.881 291 T HN 0.775 nan 8.240 nan 0.000 0.532 292 A N 3.375 126.004 122.820 -0.317 0.000 2.016 292 A HA 0.212 4.532 4.320 0.000 0.000 0.217 292 A C 0.898 178.377 177.584 -0.176 0.000 1.162 292 A CA 0.435 52.152 52.037 -0.533 0.000 0.662 292 A CB -0.106 18.476 19.000 -0.697 0.000 0.812 292 A HN 0.888 nan 8.150 nan 0.000 0.450 293 E N -0.564 119.564 120.200 -0.119 0.000 2.433 293 E HA 0.341 4.691 4.350 0.000 0.000 0.273 293 E C -1.668 174.888 176.600 -0.073 0.000 0.950 293 E CA -1.183 55.176 56.400 -0.068 0.000 0.796 293 E CB 0.775 30.441 29.700 -0.057 0.000 1.330 293 E HN 0.084 nan 8.360 nan 0.000 0.455 294 D N 1.218 121.578 120.400 -0.066 0.000 2.472 294 D HA 0.207 4.847 4.640 0.000 0.000 0.237 294 D C -0.399 175.846 176.300 -0.091 0.000 1.141 294 D CA 0.250 54.199 54.000 -0.085 0.000 0.875 294 D CB 0.887 41.644 40.800 -0.073 0.000 1.192 294 D HN 0.237 nan 8.370 nan 0.000 0.450 295 V N -1.036 118.813 119.914 -0.107 0.000 2.962 295 V HA 0.787 4.907 4.120 0.000 0.000 0.313 295 V C -0.371 175.648 176.094 -0.125 0.000 1.099 295 V CA -0.716 61.527 62.300 -0.096 0.000 0.971 295 V CB 2.355 34.199 31.823 0.036 0.000 1.028 295 V HN 0.425 nan 8.190 nan 0.000 0.430 296 T N 3.335 117.748 114.554 -0.234 0.000 2.840 296 T HA 0.713 5.063 4.350 0.000 0.000 0.287 296 T C -1.454 173.013 174.700 -0.389 0.000 0.991 296 T CA -0.047 61.929 62.100 -0.207 0.000 0.964 296 T CB 0.846 69.618 68.868 -0.160 0.000 0.954 296 T HN 0.674 nan 8.240 nan 0.000 0.438 297 Y N 0.692 120.945 120.300 -0.079 0.000 2.425 297 Y HA 0.385 4.935 4.550 0.000 0.000 0.344 297 Y C 0.995 176.882 175.900 -0.022 0.000 0.969 297 Y CA -0.947 57.123 58.100 -0.051 0.000 1.052 297 Y CB 1.946 40.368 38.460 -0.063 0.000 1.215 297 Y HN 0.765 nan 8.280 nan 0.000 0.451 298 S N 2.260 118.028 115.700 0.113 0.000 3.491 298 S HA -0.214 4.256 4.470 0.000 0.000 0.371 298 S C 1.270 175.906 174.600 0.060 0.000 0.980 298 S CA 1.240 59.490 58.200 0.083 0.000 1.204 298 S CB -1.523 61.739 63.200 0.103 0.000 0.915 298 S HN 1.659 nan 8.310 nan 0.000 0.482 299 G N -1.898 106.919 108.800 0.028 0.000 2.184 299 G HA2 -0.293 3.667 3.960 0.000 0.000 0.264 299 G HA3 -0.293 3.667 3.960 0.000 0.000 0.264 299 G C 0.071 174.988 174.900 0.028 0.000 0.975 299 G CA 0.098 45.210 45.100 0.019 0.000 0.642 299 G HN 1.265 nan 8.290 nan 0.000 0.536 300 V N 1.579 121.518 119.914 0.042 0.000 2.347 300 V HA 0.557 4.677 4.120 0.000 0.000 0.280 300 V C 0.515 176.594 176.094 -0.026 0.000 1.021 300 V CA -0.202 62.126 62.300 0.047 0.000 0.847 300 V CB 1.629 33.523 31.823 0.118 0.000 0.990 300 V HN 0.245 nan 8.190 nan 0.000 0.444 301 T N 6.739 121.259 114.554 -0.056 0.000 2.749 301 T HA 0.524 4.874 4.350 0.000 0.000 0.295 301 T C 0.055 174.590 174.700 -0.275 0.000 0.936 301 T CA 0.039 62.065 62.100 -0.123 0.000 1.060 301 T CB 0.309 69.131 68.868 -0.077 0.000 0.904 301 T HN 0.390 nan 8.240 nan 0.000 0.500 302 I N 6.428 126.748 120.570 -0.417 0.000 2.304 302 I HA 0.268 4.438 4.170 0.000 0.000 0.291 302 I C -2.090 173.804 176.117 -0.373 0.000 1.018 302 I CA -2.570 58.288 61.300 -0.736 0.000 1.260 302 I CB 1.183 38.618 38.000 -0.940 0.000 1.390 302 I HN 0.300 nan 8.210 nan 0.000 0.475 303 P HA 0.037 nan 4.420 nan 0.000 0.270 303 P C -0.354 176.893 177.300 -0.087 0.000 1.223 303 P CA -0.298 62.741 63.100 -0.101 0.000 0.785 303 P CB 0.540 32.236 31.700 -0.007 0.000 0.923 304 A N 1.675 124.468 122.820 -0.044 0.000 2.531 304 A HA 0.413 4.733 4.320 0.000 0.000 0.236 304 A C 1.408 179.010 177.584 0.030 0.000 1.062 304 A CA 0.811 52.837 52.037 -0.018 0.000 0.760 304 A CB -1.454 17.543 19.000 -0.006 0.000 0.995 304 A HN 0.885 nan 8.150 nan 0.000 0.501 305 G N 0.772 109.614 108.800 0.069 0.000 2.141 305 G HA2 -0.141 3.819 3.960 0.000 0.000 0.231 305 G HA3 -0.141 3.819 3.960 0.000 0.000 0.231 305 G C -0.093 174.911 174.900 0.174 0.000 0.984 305 G CA 0.282 45.461 45.100 0.131 0.000 0.660 305 G HN 0.785 nan 8.290 nan 0.000 0.525 306 E N -0.031 120.256 120.200 0.145 0.000 2.222 306 E HA 0.634 4.984 4.350 0.000 0.000 0.272 306 E C 0.652 177.353 176.600 0.168 0.000 0.982 306 E CA -0.579 55.931 56.400 0.184 0.000 0.842 306 E CB 0.976 30.743 29.700 0.112 0.000 1.144 306 E HN 0.400 nan 8.360 nan 0.000 0.397 307 M N 1.240 120.945 119.600 0.175 0.000 2.233 307 M HA 0.350 4.830 4.480 0.000 0.000 0.355 307 M C -0.561 175.742 176.300 0.005 0.000 1.191 307 M CA -0.715 54.560 55.300 -0.042 0.000 1.101 307 M CB 1.281 33.855 32.600 -0.043 0.000 1.592 307 M HN 0.032 nan 8.290 nan 0.000 0.461 308 V N 4.295 124.107 119.914 -0.170 0.000 2.569 308 V HA 0.455 4.575 4.120 0.000 0.000 0.301 308 V C -0.499 175.480 176.094 -0.192 0.000 1.044 308 V CA -0.621 61.611 62.300 -0.114 0.000 0.874 308 V CB 1.938 33.654 31.823 -0.179 0.000 1.002 308 V HN 0.892 nan 8.190 nan 0.000 0.424 309 M N 5.184 124.702 119.600 -0.136 0.000 2.300 309 M HA 0.578 5.058 4.480 0.000 0.000 0.348 309 M C -0.849 175.343 176.300 -0.180 0.000 1.151 309 M CA -0.465 54.741 55.300 -0.156 0.000 1.046 309 M CB 1.730 34.267 32.600 -0.105 0.000 1.647 309 M HN 0.410 nan 8.290 nan 0.000 0.451 310 L N 2.389 123.464 121.223 -0.247 0.000 2.260 310 L HA 0.392 4.732 4.340 0.000 0.000 0.289 310 L C 0.816 177.582 176.870 -0.173 0.000 1.057 310 L CA -0.616 54.038 54.840 -0.309 0.000 0.811 310 L CB 0.704 42.395 42.059 -0.613 0.000 1.184 310 L HN 0.853 nan 8.230 nan 0.000 0.429 311 G N 4.340 113.053 108.800 -0.145 0.000 2.605 311 G HA2 0.285 4.246 3.960 0.000 0.000 0.301 311 G HA3 0.285 4.246 3.960 0.000 0.000 0.301 311 G C 0.908 175.708 174.900 -0.167 0.000 0.881 311 G CA -0.388 44.624 45.100 -0.147 0.000 1.553 311 G HN 0.654 nan 8.290 nan 0.000 0.483 312 L N 2.372 123.537 121.223 -0.096 0.000 2.023 312 L HA -0.070 4.270 4.340 0.000 0.000 0.205 312 L C 3.177 180.015 176.870 -0.054 0.000 1.073 312 L CA 1.290 56.113 54.840 -0.030 0.000 0.745 312 L CB -0.587 41.511 42.059 0.065 0.000 0.900 312 L HN 0.510 nan 8.230 nan 0.000 0.435 313 A N 0.435 123.189 122.820 -0.109 0.000 1.940 313 A HA -0.207 4.113 4.320 0.000 0.000 0.219 313 A C 2.539 180.007 177.584 -0.194 0.000 1.176 313 A CA 2.005 53.988 52.037 -0.090 0.000 0.631 313 A CB -0.715 18.262 19.000 -0.039 0.000 0.814 313 A HN 0.429 nan 8.150 nan 0.000 0.446 314 A N -0.166 122.308 122.820 -0.576 0.000 1.858 314 A HA 0.170 4.490 4.320 0.000 0.000 0.216 314 A C 2.556 180.107 177.584 -0.056 0.000 1.190 314 A CA 2.185 53.991 52.037 -0.385 0.000 0.617 314 A CB -1.198 17.495 19.000 -0.512 0.000 0.827 314 A HN 1.154 nan 8.150 nan 0.000 0.443 315 A N 0.192 122.983 122.820 -0.049 0.000 1.940 315 A HA -0.220 4.101 4.320 0.000 0.000 0.219 315 A C 1.803 179.516 177.584 0.215 0.000 1.176 315 A CA 1.880 53.957 52.037 0.067 0.000 0.631 315 A CB -0.663 18.308 19.000 -0.049 0.000 0.814 315 A HN 0.546 nan 8.150 nan 0.000 0.446 316 N N -0.590 118.223 118.700 0.188 0.000 2.550 316 N HA -0.022 4.718 4.740 0.000 0.000 0.186 316 N C 0.932 176.687 175.510 0.409 0.000 1.110 316 N CA 0.544 53.810 53.050 0.361 0.000 0.912 316 N CB -0.102 38.587 38.487 0.338 0.000 0.968 316 N HN 0.490 nan 8.380 nan 0.000 0.448 317 R N 0.397 121.051 120.500 0.257 0.000 2.633 317 R HA 0.108 4.448 4.340 0.000 0.000 0.348 317 R C -0.554 175.856 176.300 0.183 0.000 1.100 317 R CA -0.288 55.925 56.100 0.189 0.000 1.068 317 R CB 0.365 30.722 30.300 0.095 0.000 1.351 317 R HN 0.003 nan 8.270 nan 0.000 0.575 318 D N 0.469 121.022 120.400 0.256 0.000 2.325 318 D HA 0.113 4.753 4.640 0.000 0.000 0.251 318 D C 0.910 177.312 176.300 0.171 0.000 1.196 318 D CA -0.058 54.069 54.000 0.213 0.000 0.866 318 D CB 1.547 42.509 40.800 0.270 0.000 1.101 318 D HN 0.205 nan 8.370 nan 0.000 0.476 319 A N 4.225 127.106 122.820 0.102 0.000 2.070 319 A HA -0.163 4.157 4.320 0.000 0.000 0.220 319 A C 1.563 179.168 177.584 0.035 0.000 1.159 319 A CA 0.952 53.017 52.037 0.047 0.000 0.656 319 A CB -0.054 18.968 19.000 0.036 0.000 0.800 319 A HN 0.558 nan 8.150 nan 0.000 0.453 320 D N -1.926 118.520 120.400 0.076 0.000 2.309 320 D HA -0.136 4.504 4.640 0.000 0.000 0.212 320 D C 1.353 177.699 176.300 0.077 0.000 0.968 320 D CA 1.015 55.060 54.000 0.075 0.000 0.882 320 D CB -0.161 40.702 40.800 0.104 0.000 0.918 320 D HN 0.849 nan 8.370 nan 0.000 0.503 321 W N 0.074 121.271 121.300 -0.171 0.000 2.850 321 W HA 0.274 4.934 4.660 -0.000 0.000 0.260 321 W C -0.062 176.309 176.519 -0.247 0.000 1.129 321 W CA -0.117 57.009 57.345 -0.364 0.000 1.587 321 W CB 0.274 29.211 29.460 -0.871 0.000 1.041 321 W HN -0.266 nan 8.180 nan 0.000 0.614 322 M N 3.699 123.043 119.600 -0.427 0.000 2.085 322 M HA 0.437 4.917 4.480 0.000 0.000 0.309 322 M C -2.655 173.485 176.300 -0.266 0.000 0.947 322 M CA -3.181 51.754 55.300 -0.609 0.000 0.918 322 M CB 1.196 33.434 32.600 -0.602 0.000 1.504 322 M HN -0.265 nan 8.290 nan 0.000 0.420 323 P HA 0.001 nan 4.420 nan 0.000 0.265 323 P C -0.863 176.379 177.300 -0.097 0.000 1.193 323 P CA 0.634 63.654 63.100 -0.134 0.000 0.765 323 P CB 0.220 31.843 31.700 -0.128 0.000 0.823 324 E N 1.799 121.969 120.200 -0.050 0.000 2.222 324 E HA -0.174 4.176 4.350 0.000 0.000 0.189 324 E C -1.321 175.277 176.600 -0.004 0.000 1.415 324 E CA -0.027 56.361 56.400 -0.020 0.000 0.689 324 E CB -0.908 28.779 29.700 -0.021 0.000 1.107 324 E HN 0.530 nan 8.360 nan 0.000 0.350 325 P HA -0.129 nan 4.420 nan 0.000 0.223 325 P C 0.661 178.017 177.300 0.093 0.000 1.151 325 P CA 0.941 64.063 63.100 0.037 0.000 0.787 325 P CB 0.286 32.020 31.700 0.056 0.000 0.788 326 D N -0.611 119.841 120.400 0.087 0.000 2.363 326 D HA -0.017 4.623 4.640 0.000 0.000 0.220 326 D C 1.088 177.554 176.300 0.277 0.000 0.994 326 D CA 0.447 54.524 54.000 0.128 0.000 0.890 326 D CB -0.280 40.565 40.800 0.075 0.000 0.906 326 D HN 0.221 nan 8.370 nan 0.000 0.530 327 R N 1.279 121.883 120.500 0.174 0.000 2.254 327 R HA 0.228 4.568 4.340 0.000 0.000 0.318 327 R C -0.358 175.931 176.300 -0.018 0.000 1.031 327 R CA -0.527 55.633 56.100 0.099 0.000 0.905 327 R CB 0.655 30.971 30.300 0.026 0.000 1.050 327 R HN -0.001 nan 8.270 nan 0.000 0.456 328 L N 4.671 125.696 121.223 -0.330 0.000 2.369 328 L HA 0.166 4.506 4.340 0.000 0.000 0.279 328 L C -0.969 175.683 176.870 -0.364 0.000 1.108 328 L CA 0.504 54.910 54.840 -0.722 0.000 0.852 328 L CB 0.725 41.918 42.059 -1.443 0.000 1.169 328 L HN 0.765 nan 8.230 nan 0.000 0.452 329 D N 5.166 125.403 120.400 -0.271 0.000 2.375 329 D HA 0.133 4.773 4.640 0.000 0.000 0.259 329 D C 0.991 177.162 176.300 -0.215 0.000 1.235 329 D CA -0.487 53.396 54.000 -0.196 0.000 0.924 329 D CB 0.788 41.508 40.800 -0.134 0.000 1.143 329 D HN 0.571 nan 8.370 nan 0.000 0.529 330 I N 0.327 120.751 120.570 -0.243 0.000 3.241 330 I HA 0.004 4.174 4.170 0.000 0.000 0.280 330 I C 1.274 177.269 176.117 -0.204 0.000 1.320 330 I CA 0.754 61.881 61.300 -0.287 0.000 1.413 330 I CB -0.028 37.784 38.000 -0.314 0.000 1.060 330 I HN 0.162 nan 8.210 nan 0.000 0.500 331 T N 0.589 115.053 114.554 -0.151 0.000 3.060 331 T HA 0.214 4.564 4.350 0.000 0.000 0.249 331 T C 0.948 175.589 174.700 -0.099 0.000 1.079 331 T CA -0.291 61.742 62.100 -0.111 0.000 1.013 331 T CB -0.098 68.718 68.868 -0.087 0.000 0.975 331 T HN 0.340 nan 8.240 nan 0.000 0.518 332 R N 2.380 122.812 120.500 -0.113 0.000 2.566 332 R HA -0.002 4.338 4.340 0.000 0.000 0.273 332 R C -0.327 175.929 176.300 -0.074 0.000 0.981 332 R CA 0.282 56.321 56.100 -0.101 0.000 1.091 332 R CB 0.195 30.425 30.300 -0.117 0.000 0.924 332 R HN 0.211 nan 8.270 nan 0.000 0.411 333 D N 2.063 122.424 120.400 -0.065 0.000 2.639 333 D HA 0.202 4.843 4.640 0.000 0.000 0.233 333 D C -0.795 175.486 176.300 -0.031 0.000 1.161 333 D CA 0.006 53.984 54.000 -0.037 0.000 1.003 333 D CB 0.474 41.253 40.800 -0.036 0.000 1.034 333 D HN 0.502 nan 8.370 nan 0.000 0.514 334 A N 1.118 123.936 122.820 -0.003 0.000 2.303 334 A HA 0.590 4.910 4.320 0.000 0.000 0.317 334 A C -0.010 177.657 177.584 0.138 0.000 1.149 334 A CA -0.468 51.582 52.037 0.021 0.000 0.822 334 A CB 1.378 20.403 19.000 0.041 0.000 1.131 334 A HN 0.263 nan 8.150 nan 0.000 0.493 335 S N -0.100 115.718 115.700 0.196 0.000 2.547 335 S HA 0.606 5.076 4.470 0.000 0.000 0.281 335 S C 0.385 175.237 174.600 0.420 0.000 1.118 335 S CA 0.483 58.832 58.200 0.248 0.000 0.947 335 S CB 1.205 64.499 63.200 0.157 0.000 1.053 335 S HN 2.490 nan 8.310 nan 0.000 0.482 336 G N 2.649 111.624 108.800 0.291 0.000 2.132 336 G HA2 -0.136 3.825 3.960 0.000 0.000 0.228 336 G HA3 -0.136 3.825 3.960 0.000 0.000 0.228 336 G C 0.482 175.351 174.900 -0.051 0.000 1.000 336 G CA -0.150 45.045 45.100 0.158 0.000 0.693 336 G HN 1.174 nan 8.290 nan 0.000 0.515 337 G N -0.823 107.952 108.800 -0.041 0.000 2.554 337 G HA2 0.522 4.482 3.960 0.000 0.000 0.238 337 G HA3 0.522 4.482 3.960 0.000 0.000 0.238 337 G C 1.185 175.577 174.900 -0.847 0.000 1.259 337 G CA 0.574 45.371 45.100 -0.505 0.000 0.843 337 G HN 1.527 nan 8.290 nan 0.000 0.582 338 V N 0.414 119.928 119.914 -0.666 0.000 3.444 338 V HA 0.217 4.337 4.120 0.000 0.000 0.308 338 V C 1.613 177.519 176.094 -0.314 0.000 1.371 338 V CA 0.280 62.301 62.300 -0.464 0.000 1.141 338 V CB -1.302 30.342 31.823 -0.297 0.000 1.037 338 V HN 0.644 nan 8.190 nan 0.000 0.433 339 F N -0.825 119.074 119.950 -0.086 0.000 2.333 339 F HA 0.249 4.776 4.527 0.000 0.000 0.300 339 F C 1.568 177.189 175.800 -0.298 0.000 1.083 339 F CA 0.653 58.537 58.000 -0.193 0.000 1.395 339 F CB -1.181 37.644 39.000 -0.291 0.000 1.056 339 F HN 0.200 nan 8.300 nan 0.000 0.529 340 F N 0.749 120.698 119.950 -0.001 0.000 2.639 340 F HA 0.521 5.048 4.527 0.000 0.000 0.302 340 F C 1.543 177.076 175.800 -0.446 0.000 1.097 340 F CA 0.034 57.898 58.000 -0.226 0.000 1.294 340 F CB 0.100 38.855 39.000 -0.409 0.000 1.027 340 F HN 0.278 nan 8.300 nan 0.000 0.550 341 G N 0.849 109.508 108.800 -0.235 0.000 2.542 341 G HA2 -0.208 3.752 3.960 0.000 0.000 0.235 341 G HA3 -0.208 3.752 3.960 0.000 0.000 0.235 341 G C -1.231 173.330 174.900 -0.565 0.000 1.286 341 G CA -0.147 44.505 45.100 -0.746 0.000 0.904 341 G HN 0.595 nan 8.290 nan 0.000 0.577 342 H N -1.095 117.492 119.070 -0.805 0.000 3.120 342 H HA 0.653 5.209 4.556 -0.000 0.000 0.314 342 H C 0.474 175.692 175.328 -0.183 0.000 1.151 342 H CA 1.923 57.746 56.048 -0.374 0.000 1.404 342 H CB 0.868 30.338 29.762 -0.487 0.000 2.031 342 H HN 2.713 nan 8.280 nan 0.000 0.513 343 G N 2.402 110.898 108.800 -0.508 0.000 2.508 343 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 343 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 343 G C 1.239 176.069 174.900 -0.117 0.000 1.287 343 G CA 0.321 45.215 45.100 -0.345 0.000 0.916 343 G HN 1.332 nan 8.290 nan 0.000 0.574 344 I N -2.569 117.939 120.570 -0.104 0.000 2.546 344 I HA 0.135 4.305 4.170 0.000 0.000 0.255 344 I C 1.701 177.726 176.117 -0.154 0.000 1.163 344 I CA 1.757 62.979 61.300 -0.129 0.000 1.457 344 I CB -0.262 37.602 38.000 -0.226 0.000 1.092 344 I HN 0.458 nan 8.210 nan 0.000 0.434 345 H N 0.867 119.936 119.070 -0.002 0.000 2.524 345 H HA 0.199 4.755 4.556 0.000 0.000 0.280 345 H C 0.078 175.444 175.328 0.063 0.000 1.018 345 H CA -0.477 55.593 56.048 0.036 0.000 1.165 345 H CB -0.260 29.496 29.762 -0.009 0.000 1.411 345 H HN 0.349 nan 8.280 nan 0.000 0.569 346 F N 1.937 121.884 119.950 -0.006 0.000 2.629 346 F HA -0.082 4.445 4.527 0.000 0.000 0.377 346 F C 0.911 176.704 175.800 -0.012 0.000 1.101 346 F CA -0.459 57.511 58.000 -0.049 0.000 1.301 346 F CB 0.421 39.369 39.000 -0.086 0.000 1.062 346 F HN 0.124 nan 8.300 nan 0.000 0.583 347 C N 8.830 127.633 119.300 -0.829 0.000 2.271 347 C HA -0.093 4.367 4.460 0.000 0.000 0.397 347 C C 1.754 176.512 174.990 -0.386 0.000 1.533 347 C CA -0.104 58.577 59.018 -0.561 0.000 1.433 347 C CB -1.775 25.596 27.740 -0.615 0.000 2.511 347 C HN 1.038 nan 8.230 nan 0.000 0.610 348 L N 6.039 127.130 121.223 -0.219 0.000 2.083 348 L HA 0.167 4.507 4.340 0.000 0.000 0.209 348 L C 2.170 178.918 176.870 -0.203 0.000 1.083 348 L CA 2.449 57.168 54.840 -0.202 0.000 0.752 348 L CB -0.497 41.358 42.059 -0.339 0.000 0.899 348 L HN 0.873 nan 8.230 nan 0.000 0.433 349 G N -2.007 106.653 108.800 -0.234 0.000 3.371 349 G HA2 0.255 4.215 3.960 0.000 0.000 0.248 349 G HA3 0.255 4.215 3.960 0.000 0.000 0.248 349 G C 1.397 176.164 174.900 -0.220 0.000 1.161 349 G CA 0.401 45.435 45.100 -0.110 0.000 0.796 349 G HN 0.541 nan 8.290 nan 0.000 0.539 350 A N 0.709 123.241 122.820 -0.479 0.000 1.892 350 A HA -0.200 4.120 4.320 0.000 0.000 0.218 350 A C 2.236 179.584 177.584 -0.393 0.000 1.188 350 A CA 2.228 53.681 52.037 -0.974 0.000 0.631 350 A CB -0.297 18.128 19.000 -0.958 0.000 0.822 350 A HN 0.424 nan 8.150 nan 0.000 0.447 351 Q N -0.934 118.791 119.800 -0.125 0.000 2.079 351 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 351 Q C 1.867 177.882 176.000 0.025 0.000 0.974 351 Q CA 1.544 57.344 55.803 -0.004 0.000 0.840 351 Q CB -0.488 28.271 28.738 0.035 0.000 0.898 351 Q HN 0.501 nan 8.270 nan 0.000 0.430 352 L N 0.217 121.463 121.223 0.039 0.000 2.012 352 L HA -0.104 4.236 4.340 0.000 0.000 0.210 352 L C 2.082 178.991 176.870 0.065 0.000 1.073 352 L CA 2.424 57.301 54.840 0.062 0.000 0.748 352 L CB -1.279 40.849 42.059 0.115 0.000 0.891 352 L HN 0.257 nan 8.230 nan 0.000 0.431 353 A N -0.604 122.259 122.820 0.071 0.000 1.877 353 A HA -0.234 4.086 4.320 0.000 0.000 0.216 353 A C 2.407 180.103 177.584 0.187 0.000 1.186 353 A CA 1.852 53.980 52.037 0.152 0.000 0.620 353 A CB -0.556 18.613 19.000 0.280 0.000 0.822 353 A HN 0.499 nan 8.150 nan 0.000 0.443 354 R N -0.523 120.097 120.500 0.201 0.000 2.094 354 R HA -0.126 4.214 4.340 0.000 0.000 0.239 354 R C 2.155 178.529 176.300 0.124 0.000 1.137 354 R CA 1.759 57.973 56.100 0.190 0.000 0.943 354 R CB -0.668 29.744 30.300 0.186 0.000 0.850 354 R HN 0.523 nan 8.270 nan 0.000 0.433 355 L N 0.631 121.910 121.223 0.092 0.000 1.990 355 L HA -0.245 4.095 4.340 0.000 0.000 0.213 355 L C 2.366 179.275 176.870 0.064 0.000 1.072 355 L CA 1.641 56.523 54.840 0.069 0.000 0.755 355 L CB -0.545 41.543 42.059 0.049 0.000 0.889 355 L HN 0.312 nan 8.230 nan 0.000 0.432 356 E N -0.190 120.044 120.200 0.058 0.000 2.085 356 E HA -0.184 4.166 4.350 0.000 0.000 0.194 356 E C 2.176 178.806 176.600 0.051 0.000 0.994 356 E CA 1.086 57.506 56.400 0.034 0.000 0.801 356 E CB -0.305 29.407 29.700 0.020 0.000 0.743 356 E HN 0.585 nan 8.360 nan 0.000 0.453 357 G N 1.010 109.863 108.800 0.088 0.000 2.404 357 G HA2 -0.254 3.706 3.960 0.000 0.000 0.215 357 G HA3 -0.254 3.706 3.960 0.000 0.000 0.215 357 G C 1.508 176.491 174.900 0.139 0.000 1.174 357 G CA 0.523 45.692 45.100 0.116 0.000 0.780 357 G HN 0.084 nan 8.290 nan 0.000 0.537 358 R N -0.154 120.422 120.500 0.125 0.000 2.070 358 R HA -0.028 4.312 4.340 0.000 0.000 0.232 358 R C 2.685 179.056 176.300 0.117 0.000 1.138 358 R CA 1.325 57.497 56.100 0.121 0.000 0.936 358 R CB -0.874 29.481 30.300 0.092 0.000 0.839 358 R HN 0.240 nan 8.270 nan 0.000 0.429 359 V N 1.280 121.250 119.914 0.094 0.000 2.252 359 V HA -0.321 3.799 4.120 0.000 0.000 0.249 359 V C 2.477 178.647 176.094 0.127 0.000 1.056 359 V CA 2.184 64.539 62.300 0.091 0.000 1.022 359 V CB -0.879 30.980 31.823 0.060 0.000 0.641 359 V HN 0.501 nan 8.190 nan 0.000 0.445 360 A N -0.421 122.466 122.820 0.112 0.000 1.877 360 A HA -0.162 4.158 4.320 0.000 0.000 0.216 360 A C 2.163 179.925 177.584 0.297 0.000 1.186 360 A CA 2.106 54.236 52.037 0.155 0.000 0.620 360 A CB -0.532 18.468 19.000 -0.000 0.000 0.822 360 A HN 0.532 nan 8.150 nan 0.000 0.443 361 I N -0.676 120.042 120.570 0.246 0.000 2.406 361 I HA -0.088 4.082 4.170 0.000 0.000 0.249 361 I C 2.684 178.993 176.117 0.320 0.000 1.122 361 I CA 0.822 62.303 61.300 0.301 0.000 1.431 361 I CB -0.616 37.531 38.000 0.246 0.000 1.087 361 I HN 0.387 nan 8.210 nan 0.000 0.424 362 G N 1.513 110.451 108.800 0.230 0.000 2.453 362 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 362 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 362 G C 1.715 176.726 174.900 0.185 0.000 1.201 362 G CA 0.433 45.644 45.100 0.186 0.000 0.784 362 G HN 0.169 nan 8.290 nan 0.000 0.545 363 R N 0.142 120.742 120.500 0.166 0.000 2.092 363 R HA 0.044 4.385 4.340 0.000 0.000 0.231 363 R C 2.414 178.772 176.300 0.096 0.000 1.119 363 R CA 0.774 56.952 56.100 0.130 0.000 0.970 363 R CB -1.508 28.869 30.300 0.129 0.000 0.864 363 R HN 0.447 nan 8.270 nan 0.000 0.440 364 L N 0.397 121.687 121.223 0.110 0.000 1.989 364 L HA -0.088 4.252 4.340 0.000 0.000 0.211 364 L C 2.044 178.838 176.870 -0.127 0.000 1.071 364 L CA 1.719 56.496 54.840 -0.104 0.000 0.749 364 L CB -0.689 41.261 42.059 -0.181 0.000 0.890 364 L HN -0.048 nan 8.230 nan 0.000 0.431 365 F N -0.231 119.713 119.950 -0.010 0.000 2.259 365 F HA -0.032 4.495 4.527 0.000 0.000 0.298 365 F C 2.466 178.264 175.800 -0.003 0.000 1.088 365 F CA 1.139 59.135 58.000 -0.007 0.000 1.358 365 F CB -0.896 38.114 39.000 0.016 0.000 1.040 365 F HN 0.214 nan 8.300 nan 0.000 0.505 366 A N -0.434 122.486 122.820 0.167 0.000 1.902 366 A HA -0.256 4.064 4.320 0.000 0.000 0.217 366 A C 1.796 179.406 177.584 0.043 0.000 1.181 366 A CA 2.260 54.355 52.037 0.097 0.000 0.623 366 A CB -0.928 18.123 19.000 0.085 0.000 0.818 366 A HN 0.377 nan 8.150 nan 0.000 0.443 367 D N -1.603 118.802 120.400 0.009 0.000 2.249 367 D HA -0.008 4.632 4.640 0.000 0.000 0.205 367 D C 0.611 176.875 176.300 -0.060 0.000 0.962 367 D CA 0.561 54.544 54.000 -0.027 0.000 0.860 367 D CB 0.213 40.985 40.800 -0.046 0.000 0.955 367 D HN 0.080 nan 8.370 nan 0.000 0.505 368 R N 0.135 120.576 120.500 -0.098 0.000 2.564 368 R HA 0.227 4.568 4.340 0.000 0.000 0.282 368 R C -2.202 174.027 176.300 -0.118 0.000 1.573 368 R CA -1.498 54.521 56.100 -0.136 0.000 1.588 368 R CB 1.026 31.191 30.300 -0.224 0.000 1.154 368 R HN 0.148 nan 8.270 nan 0.000 0.606 369 P HA -0.033 nan 4.420 nan 0.000 0.226 369 P C 0.270 177.576 177.300 0.008 0.000 1.153 369 P CA 0.885 63.998 63.100 0.021 0.000 0.777 369 P CB 0.450 32.167 31.700 0.029 0.000 0.794 370 E N -0.931 119.249 120.200 -0.033 0.000 2.444 370 E HA 0.097 4.447 4.350 0.000 0.000 0.191 370 E C 0.134 176.698 176.600 -0.061 0.000 1.041 370 E CA -0.553 55.830 56.400 -0.030 0.000 0.883 370 E CB -0.252 29.431 29.700 -0.028 0.000 1.024 370 E HN 0.097 nan 8.360 nan 0.000 0.470 371 L N 1.600 122.751 121.223 -0.121 0.000 2.578 371 L HA 0.124 4.464 4.340 0.000 0.000 0.279 371 L C -0.375 176.436 176.870 -0.099 0.000 1.227 371 L CA 0.516 55.245 54.840 -0.185 0.000 0.900 371 L CB 0.321 42.129 42.059 -0.418 0.000 1.144 371 L HN 0.024 nan 8.230 nan 0.000 0.496 372 A N 5.090 127.862 122.820 -0.080 0.000 2.606 372 A HA 0.546 4.866 4.320 0.000 0.000 0.293 372 A C -1.067 176.496 177.584 -0.035 0.000 1.082 372 A CA -0.856 51.162 52.037 -0.031 0.000 0.685 372 A CB 0.695 19.687 19.000 -0.014 0.000 1.284 372 A HN 0.677 nan 8.150 nan 0.000 0.408 373 L N 1.052 122.268 121.223 -0.011 0.000 2.490 373 L HA 0.226 4.566 4.340 0.000 0.000 0.274 373 L C 1.465 178.325 176.870 -0.017 0.000 1.201 373 L CA 0.329 55.161 54.840 -0.013 0.000 0.869 373 L CB 1.119 43.180 42.059 0.004 0.000 1.123 373 L HN 0.958 nan 8.230 nan 0.000 0.484 374 A N 3.905 126.711 122.820 -0.023 0.000 2.275 374 A HA 0.327 4.647 4.320 0.000 0.000 0.212 374 A C 0.318 177.893 177.584 -0.015 0.000 1.201 374 A CA 0.185 52.210 52.037 -0.021 0.000 0.843 374 A CB -0.046 18.937 19.000 -0.027 0.000 0.873 374 A HN 0.515 nan 8.150 nan 0.000 0.492 375 V N -4.653 115.254 119.914 -0.012 0.000 3.141 375 V HA 0.894 5.014 4.120 0.000 0.000 0.312 375 V C 0.345 176.440 176.094 0.002 0.000 1.157 375 V CA -0.543 61.753 62.300 -0.006 0.000 1.041 375 V CB 0.865 32.683 31.823 -0.009 0.000 1.071 375 V HN 0.367 nan 8.190 nan 0.000 0.441 376 G N 0.090 108.894 108.800 0.007 0.000 2.442 376 G HA2 0.368 4.329 3.960 0.000 0.000 0.249 376 G HA3 0.368 4.329 3.960 0.000 0.000 0.249 376 G C 0.590 175.505 174.900 0.025 0.000 1.263 376 G CA -0.145 44.965 45.100 0.015 0.000 0.846 376 G HN 1.131 nan 8.290 nan 0.000 0.555 377 L N 1.027 122.270 121.223 0.034 0.000 2.082 377 L HA -0.240 4.100 4.340 0.000 0.000 0.223 377 L C 2.602 179.514 176.870 0.070 0.000 1.086 377 L CA 2.481 57.355 54.840 0.056 0.000 0.793 377 L CB -0.121 41.974 42.059 0.059 0.000 0.896 377 L HN 0.826 nan 8.230 nan 0.000 0.441 378 D N -1.638 118.796 120.400 0.057 0.000 2.348 378 D HA -0.184 4.456 4.640 0.000 0.000 0.216 378 D C 1.444 177.779 176.300 0.059 0.000 0.970 378 D CA 0.667 54.705 54.000 0.063 0.000 0.889 378 D CB -0.150 40.678 40.800 0.046 0.000 0.912 378 D HN 0.579 nan 8.370 nan 0.000 0.524 379 E N 0.563 120.787 120.200 0.041 0.000 2.230 379 E HA 0.081 4.431 4.350 0.000 0.000 0.192 379 E C 0.823 177.434 176.600 0.019 0.000 0.987 379 E CA -0.157 56.260 56.400 0.027 0.000 0.841 379 E CB 0.310 30.017 29.700 0.012 0.000 0.783 379 E HN 0.308 nan 8.360 nan 0.000 0.481 380 L N 2.169 123.401 121.223 0.014 0.000 2.559 380 L HA -0.028 4.312 4.340 0.000 0.000 0.282 380 L C -0.057 176.795 176.870 -0.029 0.000 1.232 380 L CA -0.044 54.769 54.840 -0.045 0.000 0.885 380 L CB 0.323 42.331 42.059 -0.085 0.000 1.131 380 L HN -0.110 nan 8.230 nan 0.000 0.498 381 V N 4.140 123.998 119.914 -0.093 0.000 2.398 381 V HA 0.296 4.416 4.120 0.000 0.000 0.286 381 V C -0.396 175.619 176.094 -0.131 0.000 1.026 381 V CA -0.529 61.751 62.300 -0.033 0.000 0.868 381 V CB 1.285 33.094 31.823 -0.024 0.000 0.982 381 V HN 0.364 nan 8.190 nan 0.000 0.443 382 Y N 3.231 123.551 120.300 0.033 0.000 2.387 382 Y HA 0.543 5.093 4.550 0.000 0.000 0.330 382 Y C 0.960 176.841 175.900 -0.032 0.000 1.133 382 Y CA -0.682 57.439 58.100 0.035 0.000 1.152 382 Y CB 1.227 39.743 38.460 0.094 0.000 1.215 382 Y HN 0.509 nan 8.280 nan 0.000 0.466 383 R N 1.933 122.502 120.500 0.114 0.000 2.590 383 R HA 0.215 4.555 4.340 0.000 0.000 0.274 383 R C -0.503 175.680 176.300 -0.196 0.000 1.061 383 R CA -0.233 55.847 56.100 -0.033 0.000 1.081 383 R CB 0.352 30.660 30.300 0.013 0.000 0.984 383 R HN 0.538 nan 8.270 nan 0.000 0.448 384 R N 1.296 121.507 120.500 -0.482 0.000 2.205 384 R HA 0.190 4.530 4.340 0.000 0.000 0.342 384 R C -0.481 175.510 176.300 -0.516 0.000 1.058 384 R CA -0.086 55.352 56.100 -1.103 0.000 0.904 384 R CB 1.186 30.771 30.300 -1.191 0.000 1.089 384 R HN 0.449 nan 8.270 nan 0.000 0.471 385 S N 0.575 116.142 115.700 -0.222 0.000 2.543 385 S HA 0.120 4.590 4.470 0.000 0.000 0.273 385 S C 0.581 175.452 174.600 0.451 0.000 1.152 385 S CA -0.752 57.528 58.200 0.133 0.000 0.910 385 S CB 1.531 64.804 63.200 0.123 0.000 1.105 385 S HN 0.643 nan 8.310 nan 0.000 0.465 386 T N 2.369 117.132 114.554 0.349 0.000 3.129 386 T HA 0.166 4.516 4.350 0.000 0.000 0.251 386 T C 1.235 176.088 174.700 0.256 0.000 1.117 386 T CA 0.490 62.794 62.100 0.340 0.000 1.034 386 T CB -0.024 68.853 68.868 0.015 0.000 0.968 386 T HN 0.432 nan 8.240 nan 0.000 0.526 387 L N 1.441 122.796 121.223 0.220 0.000 2.445 387 L HA 0.512 4.852 4.340 0.000 0.000 0.207 387 L C 0.354 177.339 176.870 0.190 0.000 1.053 387 L CA 0.299 55.240 54.840 0.168 0.000 0.841 387 L CB 0.868 42.998 42.059 0.117 0.000 1.074 387 L HN 0.302 nan 8.230 nan 0.000 0.479 388 V N -1.127 118.911 119.914 0.207 0.000 2.769 388 V HA 0.672 4.792 4.120 0.000 0.000 0.312 388 V C -0.500 175.731 176.094 0.229 0.000 1.061 388 V CA -0.852 61.565 62.300 0.194 0.000 0.931 388 V CB 1.651 33.571 31.823 0.163 0.000 1.010 388 V HN 0.324 nan 8.190 nan 0.000 0.433 389 R N 2.771 123.395 120.500 0.205 0.000 2.247 389 R HA 0.798 5.138 4.340 0.000 0.000 0.329 389 R C -0.200 176.254 176.300 0.257 0.000 1.014 389 R CA 0.370 56.591 56.100 0.202 0.000 0.907 389 R CB 0.636 31.016 30.300 0.133 0.000 1.146 389 R HN 1.422 nan 8.270 nan 0.000 0.499 390 G N 3.421 112.424 108.800 0.339 0.000 2.759 390 G HA2 0.389 4.349 3.960 0.000 0.000 0.297 390 G HA3 0.389 4.349 3.960 0.000 0.000 0.297 390 G C -1.491 173.534 174.900 0.209 0.000 1.434 390 G CA -0.835 44.427 45.100 0.270 0.000 0.980 390 G HN 0.430 nan 8.290 nan 0.000 0.531 391 L N 1.426 122.640 121.223 -0.016 0.000 2.349 391 L HA 0.227 4.567 4.340 0.000 0.000 0.275 391 L C 1.767 178.560 176.870 -0.128 0.000 1.115 391 L CA -0.559 54.107 54.840 -0.289 0.000 0.820 391 L CB 1.570 43.420 42.059 -0.350 0.000 1.135 391 L HN 0.606 nan 8.230 nan 0.000 0.445 392 S N 1.757 117.372 115.700 -0.141 0.000 2.356 392 S HA -0.000 4.470 4.470 0.000 0.000 0.223 392 S C 0.550 175.094 174.600 -0.094 0.000 1.032 392 S CA 1.225 59.370 58.200 -0.092 0.000 1.005 392 S CB 0.053 63.203 63.200 -0.084 0.000 0.867 392 S HN 0.563 nan 8.310 nan 0.000 0.449 393 R N -1.076 119.358 120.500 -0.110 0.000 2.739 393 R HA 0.506 4.847 4.340 0.000 0.000 0.271 393 R C -1.232 175.010 176.300 -0.096 0.000 1.010 393 R CA -0.316 55.731 56.100 -0.088 0.000 0.897 393 R CB 1.534 31.788 30.300 -0.076 0.000 1.236 393 R HN 0.111 nan 8.270 nan 0.000 0.466 394 M N 2.717 122.277 119.600 -0.066 0.000 1.980 394 M HA 0.361 4.841 4.480 0.000 0.000 0.282 394 M C -2.635 173.637 176.300 -0.046 0.000 0.878 394 M CA -1.946 53.317 55.300 -0.061 0.000 0.900 394 M CB 1.793 34.366 32.600 -0.045 0.000 1.577 394 M HN 0.190 nan 8.290 nan 0.000 0.396 395 P HA 0.114 nan 4.420 nan 0.000 0.269 395 P C -0.841 176.435 177.300 -0.041 0.000 1.252 395 P CA -0.071 63.005 63.100 -0.041 0.000 0.780 395 P CB 0.320 31.999 31.700 -0.036 0.000 0.829 396 V N 1.054 120.938 119.914 -0.049 0.000 2.864 396 V HA 0.647 4.767 4.120 0.000 0.000 0.314 396 V C -0.214 175.843 176.094 -0.063 0.000 1.073 396 V CA -0.623 61.641 62.300 -0.060 0.000 0.956 396 V CB 2.047 33.819 31.823 -0.085 0.000 1.023 396 V HN 0.244 nan 8.190 nan 0.000 0.435 397 T N 5.618 120.134 114.554 -0.063 0.000 2.738 397 T HA 0.333 4.683 4.350 0.000 0.000 0.298 397 T C 1.122 175.769 174.700 -0.089 0.000 0.962 397 T CA -0.388 61.673 62.100 -0.064 0.000 0.972 397 T CB 1.011 69.851 68.868 -0.047 0.000 0.928 397 T HN 0.649 nan 8.240 nan 0.000 0.474 398 M N 2.074 121.616 119.600 -0.097 0.000 2.132 398 M HA 0.119 4.599 4.480 0.000 0.000 0.263 398 M C 1.517 177.747 176.300 -0.116 0.000 1.065 398 M CA 1.083 56.306 55.300 -0.129 0.000 1.122 398 M CB -1.563 30.963 32.600 -0.123 0.000 1.365 398 M HN 0.948 nan 8.290 nan 0.000 0.411 399 G N 0.961 109.712 108.800 -0.082 0.000 2.814 399 G HA2 -0.135 3.825 3.960 0.000 0.000 0.677 399 G HA3 -0.135 3.825 3.960 0.000 0.000 0.677 399 G C -2.722 172.141 174.900 -0.061 0.000 1.429 399 G CA -0.893 44.168 45.100 -0.065 0.000 0.868 399 G HN 0.216 nan 8.290 nan 0.000 0.553 400 P HA 0.227 nan 4.420 nan 0.000 0.271 400 P C -0.015 177.259 177.300 -0.043 0.000 1.233 400 P CA -0.065 63.012 63.100 -0.039 0.000 0.789 400 P CB 0.473 32.156 31.700 -0.027 0.000 0.951 401 R N 0.758 121.236 120.500 -0.038 0.000 2.340 401 R HA 0.248 4.588 4.340 0.000 0.000 0.300 401 R C 1.139 177.426 176.300 -0.023 0.000 1.069 401 R CA -0.260 55.819 56.100 -0.035 0.000 0.984 401 R CB 0.280 30.562 30.300 -0.030 0.000 1.003 401 R HN 0.595 nan 8.270 nan 0.000 0.459 402 S N 0.000 115.688 115.700 -0.019 0.000 2.498 402 S HA 0.000 4.470 4.470 0.000 0.000 0.327 402 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 402 S CB 0.000 63.200 63.200 0.001 0.000 0.593 402 S HN 0.000 nan 8.310 nan 0.000 0.517