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 2xmn_1_A DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GFSVGTSTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.662 176.600 0.103 0.000 1.382 1 E CA 0.000 56.461 56.400 0.102 0.000 0.976 1 E CB 0.000 29.776 29.700 0.126 0.000 0.812 2 N N 0.349 119.098 118.700 0.082 0.000 2.405 2 N HA 0.153 4.893 4.740 0.001 0.000 0.269 2 N C 0.663 176.104 175.510 -0.116 0.000 1.249 2 N CA -0.608 52.479 53.050 0.061 0.000 0.974 2 N CB 0.132 38.632 38.487 0.023 0.000 1.204 2 N HN 0.444 nan 8.380 nan 0.000 0.565 3 L N -0.488 120.462 121.223 -0.455 0.000 1.971 3 L HA -0.112 4.229 4.340 0.001 0.000 0.215 3 L C 2.123 178.823 176.870 -0.284 0.000 1.072 3 L CA 1.823 56.211 54.840 -0.754 0.000 0.758 3 L CB -0.941 40.664 42.059 -0.758 0.000 0.889 3 L HN 0.521 nan 8.230 nan 0.000 0.433 4 M N -0.847 118.667 119.600 -0.144 0.000 2.110 4 M HA -0.317 4.164 4.480 0.001 0.000 0.257 4 M C 2.296 178.622 176.300 0.044 0.000 1.071 4 M CA 1.982 57.278 55.300 -0.008 0.000 1.096 4 M CB -1.384 31.218 32.600 0.003 0.000 1.300 4 M HN 0.429 nan 8.290 nan 0.000 0.411 5 Q N -0.730 119.080 119.800 0.016 0.000 2.181 5 Q HA -0.134 4.206 4.340 0.001 0.000 0.205 5 Q C 2.112 178.143 176.000 0.052 0.000 0.980 5 Q CA 1.453 57.281 55.803 0.042 0.000 0.862 5 Q CB -0.210 28.562 28.738 0.057 0.000 0.905 5 Q HN 0.398 nan 8.270 nan 0.000 0.429 6 V N 0.042 119.961 119.914 0.007 0.000 2.229 6 V HA -0.285 3.836 4.120 0.001 0.000 0.243 6 V C 1.909 178.030 176.094 0.046 0.000 1.042 6 V CA 1.983 64.287 62.300 0.007 0.000 1.000 6 V CB -0.963 30.781 31.823 -0.133 0.000 0.637 6 V HN 0.358 nan 8.190 nan 0.000 0.446 7 Y N 1.421 121.670 120.300 -0.086 0.000 2.030 7 Y HA -0.381 4.169 4.550 0.001 0.000 0.272 7 Y C 2.695 178.575 175.900 -0.033 0.000 1.185 7 Y CA 2.356 60.412 58.100 -0.073 0.000 1.120 7 Y CB -0.705 37.689 38.460 -0.109 0.000 0.955 7 Y HN 0.311 nan 8.280 nan 0.000 0.495 8 Q N -0.336 119.326 119.800 -0.230 0.000 2.096 8 Q HA -0.291 4.049 4.340 0.001 0.000 0.204 8 Q C 2.294 178.162 176.000 -0.220 0.000 0.982 8 Q CA 2.097 57.719 55.803 -0.302 0.000 0.850 8 Q CB -0.318 28.378 28.738 -0.070 0.000 0.901 8 Q HN 0.694 nan 8.270 nan 0.000 0.422 9 Q N -0.393 119.349 119.800 -0.097 0.000 2.224 9 Q HA -0.088 4.252 4.340 0.001 0.000 0.203 9 Q C 1.931 177.884 176.000 -0.079 0.000 0.970 9 Q CA 1.045 56.818 55.803 -0.050 0.000 0.865 9 Q CB -0.021 28.739 28.738 0.037 0.000 0.922 9 Q HN 0.358 nan 8.270 nan 0.000 0.445 10 A N 0.920 123.670 122.820 -0.116 0.000 1.970 10 A HA -0.121 4.200 4.320 0.001 0.000 0.216 10 A C 1.968 179.447 177.584 -0.175 0.000 1.170 10 A CA 0.760 52.731 52.037 -0.111 0.000 0.645 10 A CB -0.326 18.636 19.000 -0.063 0.000 0.816 10 A HN 0.180 nan 8.150 nan 0.000 0.447 11 R N 0.018 120.315 120.500 -0.338 0.000 2.117 11 R HA -0.104 4.236 4.340 0.001 0.000 0.243 11 R C 1.349 177.562 176.300 -0.146 0.000 1.143 11 R CA 1.621 57.536 56.100 -0.309 0.000 0.968 11 R CB -0.365 29.645 30.300 -0.483 0.000 0.863 11 R HN 0.548 nan 8.270 nan 0.000 0.444 12 L N -0.058 121.090 121.223 -0.126 0.000 2.599 12 L HA 0.056 4.396 4.340 0.001 0.000 0.230 12 L C 1.512 178.352 176.870 -0.050 0.000 1.141 12 L CA 0.723 55.520 54.840 -0.071 0.000 0.877 12 L CB 0.210 42.232 42.059 -0.062 0.000 1.009 12 L HN 0.274 nan 8.230 nan 0.000 0.447 13 S N -3.292 112.376 115.700 -0.054 0.000 2.684 13 S HA 0.041 4.511 4.470 0.001 0.000 0.268 13 S C 0.572 175.154 174.600 -0.030 0.000 1.075 13 S CA -0.524 57.653 58.200 -0.039 0.000 1.184 13 S CB -0.226 62.948 63.200 -0.043 0.000 1.129 13 S HN 0.261 nan 8.310 nan 0.000 0.630 14 N N 4.851 123.532 118.700 -0.032 0.000 2.423 14 N HA 0.219 4.959 4.740 0.001 0.000 0.275 14 N C -1.568 173.941 175.510 -0.002 0.000 1.283 14 N CA -1.523 51.515 53.050 -0.019 0.000 0.932 14 N CB 1.011 39.486 38.487 -0.020 0.000 1.185 14 N HN 0.158 nan 8.380 nan 0.000 0.483 15 P HA -0.022 nan 4.420 nan 0.000 0.237 15 P C 0.244 177.554 177.300 0.016 0.000 1.178 15 P CA 0.723 63.827 63.100 0.006 0.000 0.766 15 P CB 0.561 32.260 31.700 -0.002 0.000 0.876 16 E N -0.141 120.067 120.200 0.014 0.000 2.060 16 E HA -0.035 4.315 4.350 0.001 0.000 0.189 16 E C 1.837 178.460 176.600 0.038 0.000 0.974 16 E CA 0.628 57.040 56.400 0.020 0.000 0.808 16 E CB -1.055 28.651 29.700 0.010 0.000 0.768 16 E HN 0.109 nan 8.360 nan 0.000 0.453 17 L N 0.255 121.500 121.223 0.037 0.000 2.240 17 L HA 0.036 4.377 4.340 0.001 0.000 0.211 17 L C 1.903 178.867 176.870 0.157 0.000 1.106 17 L CA 1.309 56.191 54.840 0.071 0.000 0.793 17 L CB 0.059 42.131 42.059 0.022 0.000 0.927 17 L HN -0.082 nan 8.230 nan 0.000 0.446 18 R N -0.465 120.090 120.500 0.093 0.000 2.115 18 R HA -0.156 4.185 4.340 0.001 0.000 0.226 18 R C 2.219 178.561 176.300 0.069 0.000 1.100 18 R CA 1.462 57.610 56.100 0.079 0.000 0.980 18 R CB -0.151 30.171 30.300 0.035 0.000 0.875 18 R HN 0.315 nan 8.270 nan 0.000 0.445 19 K N 0.104 120.542 120.400 0.063 0.000 2.025 19 K HA -0.083 4.237 4.320 0.001 0.000 0.207 19 K C 2.103 178.751 176.600 0.081 0.000 1.049 19 K CA 1.836 58.155 56.287 0.054 0.000 0.933 19 K CB -0.314 32.210 32.500 0.040 0.000 0.714 19 K HN -0.051 nan 8.250 nan 0.000 0.438 20 S N -0.353 115.425 115.700 0.129 0.000 2.420 20 S HA -0.189 4.281 4.470 0.001 0.000 0.237 20 S C 1.855 176.588 174.600 0.223 0.000 1.023 20 S CA 1.340 59.661 58.200 0.202 0.000 0.991 20 S CB -0.463 62.892 63.200 0.258 0.000 0.792 20 S HN 0.519 nan 8.310 nan 0.000 0.488 21 A N 0.818 123.729 122.820 0.151 0.000 1.897 21 A HA 0.350 4.670 4.320 0.001 0.000 0.215 21 A C 2.413 179.932 177.584 -0.109 0.000 1.181 21 A CA 1.483 53.421 52.037 -0.165 0.000 0.620 21 A CB -1.196 17.718 19.000 -0.144 0.000 0.821 21 A HN 0.710 nan 8.150 nan 0.000 0.443 22 A N 0.044 122.849 122.820 -0.025 0.000 2.015 22 A HA -0.119 4.202 4.320 0.001 0.000 0.219 22 A C 1.630 179.215 177.584 0.002 0.000 1.163 22 A CA 1.760 53.788 52.037 -0.016 0.000 0.646 22 A CB -0.435 18.565 19.000 -0.001 0.000 0.806 22 A HN 0.451 nan 8.150 nan 0.000 0.448 23 D N -0.647 119.766 120.400 0.022 0.000 2.123 23 D HA -0.102 4.538 4.640 0.001 0.000 0.200 23 D C 2.098 178.427 176.300 0.049 0.000 0.976 23 D CA 0.757 54.778 54.000 0.036 0.000 0.831 23 D CB -0.335 40.496 40.800 0.053 0.000 0.974 23 D HN 0.307 nan 8.370 nan 0.000 0.469 24 R N 0.800 121.327 120.500 0.045 0.000 2.081 24 R HA -0.125 4.216 4.340 0.001 0.000 0.235 24 R C 1.180 177.569 176.300 0.149 0.000 1.131 24 R CA 1.208 57.368 56.100 0.099 0.000 0.960 24 R CB -0.114 30.162 30.300 -0.039 0.000 0.856 24 R HN 0.098 nan 8.270 nan 0.000 0.436 25 D N 0.101 120.515 120.400 0.024 0.000 2.117 25 D HA -0.108 4.532 4.640 0.001 0.000 0.197 25 D C 1.695 178.038 176.300 0.073 0.000 0.987 25 D CA 1.455 55.468 54.000 0.022 0.000 0.829 25 D CB -0.208 40.568 40.800 -0.040 0.000 0.961 25 D HN 0.301 nan 8.370 nan 0.000 0.460 26 A N 1.010 123.860 122.820 0.049 0.000 1.873 26 A HA 0.015 4.335 4.320 0.001 0.000 0.215 26 A C 2.316 179.925 177.584 0.042 0.000 1.186 26 A CA 2.074 54.133 52.037 0.037 0.000 0.616 26 A CB -0.796 18.214 19.000 0.017 0.000 0.823 26 A HN 0.218 nan 8.150 nan 0.000 0.442 27 A N -1.282 121.562 122.820 0.040 0.000 1.940 27 A HA -0.057 4.264 4.320 0.001 0.000 0.219 27 A C 1.969 179.504 177.584 -0.081 0.000 1.176 27 A CA 1.587 53.603 52.037 -0.035 0.000 0.631 27 A CB -0.738 18.219 19.000 -0.072 0.000 0.814 27 A HN 0.476 nan 8.150 nan 0.000 0.446 28 F N -0.435 119.499 119.950 -0.026 0.000 2.206 28 F HA -0.057 4.471 4.527 0.001 0.000 0.298 28 F C 2.381 178.166 175.800 -0.025 0.000 1.090 28 F CA 1.594 59.579 58.000 -0.025 0.000 1.323 28 F CB -0.170 38.810 39.000 -0.032 0.000 1.028 28 F HN 0.310 nan 8.300 nan 0.000 0.492 29 E N 1.055 121.341 120.200 0.143 0.000 2.110 29 E HA -0.228 4.122 4.350 0.001 0.000 0.193 29 E C 1.985 178.599 176.600 0.024 0.000 0.988 29 E CA 1.327 57.768 56.400 0.067 0.000 0.804 29 E CB -0.303 29.421 29.700 0.040 0.000 0.745 29 E HN 0.201 nan 8.360 nan 0.000 0.458 30 K N 0.060 120.462 120.400 0.003 0.000 2.442 30 K HA -0.073 4.247 4.320 0.001 0.000 0.198 30 K C 1.824 178.399 176.600 -0.041 0.000 1.042 30 K CA 0.756 57.029 56.287 -0.024 0.000 0.958 30 K CB -0.162 32.317 32.500 -0.035 0.000 0.766 30 K HN 0.241 nan 8.250 nan 0.000 0.474 31 I N 1.156 121.702 120.570 -0.041 0.000 2.163 31 I HA -0.360 3.810 4.170 0.001 0.000 0.243 31 I C 1.696 177.792 176.117 -0.035 0.000 1.085 31 I CA 1.610 62.883 61.300 -0.045 0.000 1.347 31 I CB -0.486 37.496 38.000 -0.030 0.000 1.044 31 I HN 0.310 nan 8.210 nan 0.000 0.408 32 N N 0.627 119.317 118.700 -0.017 0.000 2.037 32 N HA -0.309 4.431 4.740 0.001 0.000 0.196 32 N C 1.791 177.276 175.510 -0.041 0.000 1.034 32 N CA 1.786 54.822 53.050 -0.024 0.000 0.861 32 N CB -0.285 38.196 38.487 -0.009 0.000 1.039 32 N HN 0.504 nan 8.380 nan 0.000 0.427 33 E N 0.869 121.046 120.200 -0.039 0.000 2.265 33 E HA -0.109 4.241 4.350 0.001 0.000 0.196 33 E C 1.643 178.205 176.600 -0.064 0.000 0.996 33 E CA 0.982 57.353 56.400 -0.047 0.000 0.832 33 E CB 0.009 29.686 29.700 -0.038 0.000 0.756 33 E HN 0.403 nan 8.360 nan 0.000 0.491 34 A N 1.243 124.021 122.820 -0.070 0.000 2.030 34 A HA 0.031 4.351 4.320 0.001 0.000 0.215 34 A C 2.191 179.701 177.584 -0.123 0.000 1.164 34 A CA 0.723 52.708 52.037 -0.087 0.000 0.697 34 A CB -0.322 18.632 19.000 -0.077 0.000 0.827 34 A HN 0.243 nan 8.150 nan 0.000 0.457 35 R N 0.638 121.066 120.500 -0.119 0.000 2.193 35 R HA -0.083 4.257 4.340 0.001 0.000 0.213 35 R C 2.148 178.343 176.300 -0.174 0.000 1.055 35 R CA 1.594 57.595 56.100 -0.166 0.000 0.995 35 R CB -0.243 29.986 30.300 -0.119 0.000 0.893 35 R HN 0.571 nan 8.270 nan 0.000 0.459 36 S N 0.762 116.388 115.700 -0.123 0.000 2.383 36 S HA 0.008 4.478 4.470 0.001 0.000 0.229 36 S C -1.007 173.521 174.600 -0.120 0.000 1.030 36 S CA 0.476 58.614 58.200 -0.104 0.000 1.002 36 S CB -0.959 62.197 63.200 -0.072 0.000 0.829 36 S HN 0.294 nan 8.310 nan 0.000 0.467 37 P HA 0.142 nan 4.420 nan 0.000 0.234 37 P C 0.867 178.060 177.300 -0.178 0.000 1.167 37 P CA 0.605 63.623 63.100 -0.138 0.000 0.763 37 P CB -0.163 31.455 31.700 -0.137 0.000 0.835 38 L N -2.430 118.642 121.223 -0.250 0.000 2.592 38 L HA 0.108 4.448 4.340 0.001 0.000 0.227 38 L C 0.574 177.344 176.870 -0.168 0.000 1.127 38 L CA 0.055 54.712 54.840 -0.304 0.000 0.884 38 L CB -0.193 41.516 42.059 -0.584 0.000 1.065 38 L HN 0.016 nan 8.230 nan 0.000 0.457 39 L N -0.983 120.167 121.223 -0.122 0.000 2.335 39 L HA 0.488 4.828 4.340 0.001 0.000 0.268 39 L C -2.256 174.587 176.870 -0.046 0.000 1.016 39 L CA -1.741 53.058 54.840 -0.070 0.000 0.805 39 L CB 0.305 42.326 42.059 -0.063 0.000 1.311 39 L HN -0.280 nan 8.230 nan 0.000 0.456 40 P HA 0.169 nan 4.420 nan 0.000 0.276 40 P C -1.390 175.898 177.300 -0.021 0.000 1.243 40 P CA -0.385 62.705 63.100 -0.017 0.000 0.768 40 P CB 0.526 32.222 31.700 -0.007 0.000 0.856 41 Q N 2.583 122.371 119.800 -0.020 0.000 2.278 41 Q HA 0.468 4.809 4.340 0.001 0.000 0.257 41 Q C -0.790 175.203 176.000 -0.012 0.000 0.928 41 Q CA -0.544 55.247 55.803 -0.020 0.000 0.932 41 Q CB 1.805 30.529 28.738 -0.022 0.000 1.221 41 Q HN 0.339 nan 8.270 nan 0.000 0.434 42 L N 1.643 122.859 121.223 -0.011 0.000 2.457 42 L HA 0.669 5.009 4.340 0.001 0.000 0.266 42 L C -0.540 176.326 176.870 -0.006 0.000 0.979 42 L CA -0.080 54.756 54.840 -0.007 0.000 0.857 42 L CB 1.579 43.635 42.059 -0.005 0.000 1.213 42 L HN 0.623 nan 8.230 nan 0.000 0.418 43 G N 3.551 112.348 108.800 -0.005 0.000 2.644 43 G HA2 0.686 4.647 3.960 0.001 0.000 0.307 43 G HA3 0.686 4.647 3.960 0.001 0.000 0.307 43 G C -1.929 172.970 174.900 -0.001 0.000 1.250 43 G CA -0.725 44.373 45.100 -0.004 0.000 0.996 43 G HN 0.617 nan 8.290 nan 0.000 0.489 44 L N 0.460 121.683 121.223 0.000 0.000 2.441 44 L HA 0.732 5.073 4.340 0.001 0.000 0.270 44 L C -0.032 176.841 176.870 0.004 0.000 0.973 44 L CA -0.374 54.467 54.840 0.002 0.000 0.842 44 L CB 1.806 43.867 42.059 0.002 0.000 1.239 44 L HN 0.763 nan 8.230 nan 0.000 0.406 45 G N 3.464 112.267 108.800 0.006 0.000 2.513 45 G HA2 0.776 4.737 3.960 0.001 0.000 0.317 45 G HA3 0.776 4.737 3.960 0.001 0.000 0.317 45 G C -1.524 173.384 174.900 0.013 0.000 1.277 45 G CA -0.290 44.816 45.100 0.009 0.000 0.955 45 G HN 0.826 nan 8.290 nan 0.000 0.484 46 A N 2.111 124.943 122.820 0.020 0.000 2.343 46 A HA 0.740 5.061 4.320 0.001 0.000 0.308 46 A C -1.219 176.391 177.584 0.042 0.000 1.092 46 A CA -0.738 51.316 52.037 0.029 0.000 0.751 46 A CB 1.484 20.503 19.000 0.032 0.000 1.203 46 A HN 0.572 nan 8.150 nan 0.000 0.452 47 D N 1.415 121.842 120.400 0.045 0.000 2.440 47 D HA 0.323 4.964 4.640 0.001 0.000 0.252 47 D C -0.920 175.423 176.300 0.072 0.000 1.180 47 D CA -0.028 54.003 54.000 0.052 0.000 0.894 47 D CB 0.921 41.731 40.800 0.017 0.000 1.111 47 D HN 0.522 nan 8.370 nan 0.000 0.544 48 Y N 2.036 122.338 120.300 0.004 0.000 2.442 48 Y HA 0.375 4.925 4.550 0.001 0.000 0.330 48 Y C -0.410 175.503 175.900 0.021 0.000 1.129 48 Y CA 0.510 58.616 58.100 0.010 0.000 1.365 48 Y CB 0.798 39.265 38.460 0.012 0.000 1.233 48 Y HN 0.217 nan 8.280 nan 0.000 0.529 49 T N 6.915 120.964 114.554 -0.842 0.000 2.971 49 T HA 0.193 4.543 4.350 0.001 0.000 0.304 49 T C -2.094 172.241 174.700 -0.608 0.000 1.038 49 T CA -0.546 61.235 62.100 -0.532 0.000 1.007 49 T CB 0.657 69.370 68.868 -0.258 0.000 1.055 49 T HN 0.536 nan 8.240 nan 0.000 0.451 50 Y N 2.596 122.665 120.300 -0.386 0.000 2.345 50 Y HA 0.587 5.137 4.550 0.001 0.000 0.331 50 Y C -0.254 175.587 175.900 -0.098 0.000 0.959 50 Y CA -0.505 57.473 58.100 -0.204 0.000 1.204 50 Y CB 0.776 39.235 38.460 -0.002 0.000 1.135 50 Y HN 0.607 nan 8.280 nan 0.000 0.477 51 S N 4.723 120.039 115.700 -0.641 0.000 2.616 51 S HA 0.327 4.797 4.470 0.001 0.000 0.277 51 S C -0.862 173.237 174.600 -0.835 0.000 1.234 51 S CA -0.896 56.961 58.200 -0.572 0.000 1.028 51 S CB 1.052 64.071 63.200 -0.301 0.000 0.988 51 S HN 0.727 nan 8.310 nan 0.000 0.522 52 N N 0.964 119.375 118.700 -0.482 0.000 2.581 52 N HA 0.271 5.011 4.740 0.001 0.000 0.279 52 N C -0.321 175.114 175.510 -0.124 0.000 1.124 52 N CA -0.392 52.490 53.050 -0.279 0.000 0.833 52 N CB 0.959 39.375 38.487 -0.119 0.000 1.338 52 N HN 0.737 nan 8.380 nan 0.000 0.533 53 G N 2.229 110.972 108.800 -0.096 0.000 2.441 53 G HA2 0.353 4.313 3.960 0.001 0.000 0.243 53 G HA3 0.353 4.313 3.960 0.001 0.000 0.243 53 G C -0.711 174.197 174.900 0.013 0.000 1.281 53 G CA 0.251 45.297 45.100 -0.090 0.000 0.854 53 G HN 0.612 nan 8.290 nan 0.000 0.560 54 Y N 0.072 120.366 120.300 -0.010 0.000 2.677 54 Y HA 0.791 5.342 4.550 0.001 0.000 0.334 54 Y C 0.657 176.556 175.900 -0.002 0.000 1.154 54 Y CA -1.779 56.319 58.100 -0.004 0.000 1.070 54 Y CB 0.688 39.148 38.460 -0.000 0.000 1.294 54 Y HN 0.848 nan 8.280 nan 0.000 0.475 55 R N -0.832 119.878 120.500 0.349 0.000 3.964 55 R HA -0.238 4.102 4.340 0.001 0.000 0.391 55 R C 0.011 176.360 176.300 0.082 0.000 0.241 55 R CA 1.474 57.685 56.100 0.185 0.000 1.259 55 R CB -1.551 28.863 30.300 0.190 0.000 1.039 55 R HN 0.906 nan 8.270 nan 0.000 0.544 56 D N 0.357 120.786 120.400 0.048 0.000 2.429 56 D HA 0.070 4.711 4.640 0.001 0.000 0.230 56 D C 0.733 177.041 176.300 0.014 0.000 1.005 56 D CA 1.442 55.457 54.000 0.024 0.000 0.963 56 D CB -0.071 40.739 40.800 0.017 0.000 0.872 56 D HN 0.514 nan 8.370 nan 0.000 0.524 57 A N -0.114 122.713 122.820 0.011 0.000 2.628 57 A HA 0.056 4.377 4.320 0.001 0.000 0.267 57 A C 0.686 178.277 177.584 0.012 0.000 1.159 57 A CA -0.494 51.541 52.037 -0.002 0.000 0.972 57 A CB 0.032 19.010 19.000 -0.037 0.000 1.211 57 A HN 0.029 nan 8.150 nan 0.000 0.576 58 N N 1.527 120.255 118.700 0.046 0.000 2.394 58 N HA 0.274 5.015 4.740 0.001 0.000 0.277 58 N C 1.137 176.657 175.510 0.017 0.000 1.346 58 N CA 1.888 54.974 53.050 0.059 0.000 0.910 58 N CB -0.212 38.315 38.487 0.067 0.000 1.201 58 N HN 0.878 nan 8.380 nan 0.000 0.488 59 G N 2.937 111.746 108.800 0.015 0.000 2.184 59 G HA2 -0.189 3.772 3.960 0.001 0.000 0.206 59 G HA3 -0.189 3.772 3.960 0.001 0.000 0.206 59 G C 0.029 174.904 174.900 -0.042 0.000 0.995 59 G CA -0.106 44.986 45.100 -0.013 0.000 0.651 59 G HN 0.544 nan 8.290 nan 0.000 0.511 60 I N 1.780 122.334 120.570 -0.026 0.000 2.330 60 I HA 0.389 4.559 4.170 0.001 0.000 0.289 60 I C -0.145 175.996 176.117 0.039 0.000 1.001 60 I CA -0.607 60.691 61.300 -0.003 0.000 1.193 60 I CB 1.275 39.297 38.000 0.037 0.000 1.345 60 I HN 0.132 nan 8.210 nan 0.000 0.461 61 N N 3.994 122.742 118.700 0.080 0.000 2.265 61 N HA 0.680 5.421 4.740 0.001 0.000 0.300 61 N C -1.331 174.212 175.510 0.055 0.000 1.148 61 N CA -0.809 52.255 53.050 0.023 0.000 0.772 61 N CB 2.345 40.877 38.487 0.076 0.000 1.434 61 N HN 0.560 nan 8.380 nan 0.000 0.481 62 S N 0.269 115.904 115.700 -0.109 0.000 2.536 62 S HA 0.476 4.946 4.470 0.001 0.000 0.271 62 S C -1.453 173.068 174.600 -0.131 0.000 1.134 62 S CA -1.060 57.032 58.200 -0.180 0.000 0.897 62 S CB 1.301 64.321 63.200 -0.300 0.000 1.094 62 S HN 0.533 nan 8.310 nan 0.000 0.473 63 N N 0.896 119.542 118.700 -0.091 0.000 2.518 63 N HA 0.689 5.430 4.740 0.001 0.000 0.254 63 N C -0.824 174.580 175.510 -0.177 0.000 0.979 63 N CA -0.329 52.695 53.050 -0.042 0.000 0.930 63 N CB 1.734 40.303 38.487 0.136 0.000 1.152 63 N HN 0.930 nan 8.380 nan 0.000 0.505 64 A N 1.453 124.095 122.820 -0.296 0.000 2.337 64 A HA 0.869 5.189 4.320 0.001 0.000 0.331 64 A C -0.373 177.089 177.584 -0.204 0.000 1.137 64 A CA -0.466 51.431 52.037 -0.234 0.000 0.807 64 A CB 1.279 20.147 19.000 -0.221 0.000 1.250 64 A HN 0.398 nan 8.150 nan 0.000 0.468 65 T N 1.112 115.620 114.554 -0.077 0.000 2.991 65 T HA 0.626 4.976 4.350 0.001 0.000 0.303 65 T C -0.638 174.063 174.700 0.001 0.000 1.015 65 T CA -0.083 62.022 62.100 0.008 0.000 1.007 65 T CB 1.121 70.043 68.868 0.090 0.000 1.034 65 T HN 1.324 nan 8.240 nan 0.000 0.446 66 S N 1.926 117.631 115.700 0.008 0.000 2.595 66 S HA 0.989 5.459 4.470 0.001 0.000 0.281 66 S C -1.020 173.590 174.600 0.017 0.000 1.117 66 S CA -0.838 57.365 58.200 0.005 0.000 0.873 66 S CB 2.187 65.382 63.200 -0.008 0.000 1.108 66 S HN 1.100 nan 8.310 nan 0.000 0.477 67 A N 0.942 123.769 122.820 0.013 0.000 2.594 67 A HA 0.943 5.263 4.320 0.001 0.000 0.295 67 A C -0.699 176.890 177.584 0.009 0.000 1.071 67 A CA -0.531 51.514 52.037 0.014 0.000 0.685 67 A CB 1.346 20.355 19.000 0.016 0.000 1.285 67 A HN 2.076 nan 8.150 nan 0.000 0.405 68 S N -0.226 115.478 115.700 0.008 0.000 2.543 68 S HA 0.619 5.090 4.470 0.001 0.000 0.274 68 S C -1.559 173.044 174.600 0.005 0.000 1.149 68 S CA -0.541 57.662 58.200 0.006 0.000 0.866 68 S CB 1.223 64.425 63.200 0.004 0.000 1.111 68 S HN 1.362 nan 8.310 nan 0.000 0.457 69 L N 1.963 123.189 121.223 0.004 0.000 2.297 69 L HA 0.514 4.855 4.340 0.001 0.000 0.277 69 L C -0.240 176.632 176.870 0.003 0.000 1.040 69 L CA 0.050 54.892 54.840 0.004 0.000 0.867 69 L CB 0.946 43.007 42.059 0.004 0.000 1.244 69 L HN 0.822 nan 8.230 nan 0.000 0.433 70 Q N 2.814 122.615 119.800 0.002 0.000 2.230 70 Q HA 0.665 5.005 4.340 0.001 0.000 0.248 70 Q C -1.339 174.662 176.000 0.001 0.000 0.915 70 Q CA -0.297 55.507 55.803 0.002 0.000 0.900 70 Q CB 2.052 30.791 28.738 0.001 0.000 1.229 70 Q HN 0.593 nan 8.270 nan 0.000 0.439 71 L N 1.644 122.869 121.223 0.003 0.000 2.438 71 L HA 0.633 4.974 4.340 0.001 0.000 0.270 71 L C -1.073 175.799 176.870 0.003 0.000 0.972 71 L CA -0.195 54.646 54.840 0.002 0.000 0.831 71 L CB 2.238 44.300 42.059 0.004 0.000 1.273 71 L HN 0.711 nan 8.230 nan 0.000 0.405 72 T N 1.527 116.080 114.554 -0.000 0.000 2.912 72 T HA 0.765 5.116 4.350 0.001 0.000 0.288 72 T C -0.831 173.869 174.700 0.000 0.000 1.030 72 T CA -0.508 61.593 62.100 0.001 0.000 1.020 72 T CB 1.790 70.655 68.868 -0.006 0.000 1.056 72 T HN 0.701 nan 8.240 nan 0.000 0.480 73 Q N 1.689 121.494 119.800 0.008 0.000 2.275 73 Q HA 0.467 4.807 4.340 0.001 0.000 0.258 73 Q C -0.907 175.107 176.000 0.024 0.000 0.960 73 Q CA -0.286 55.525 55.803 0.012 0.000 0.801 73 Q CB 2.121 30.874 28.738 0.024 0.000 1.302 73 Q HN 0.813 nan 8.270 nan 0.000 0.433 74 S N 4.172 119.878 115.700 0.010 0.000 2.533 74 S HA 0.294 4.765 4.470 0.001 0.000 0.282 74 S C 0.657 175.314 174.600 0.094 0.000 1.304 74 S CA 0.061 58.279 58.200 0.029 0.000 1.063 74 S CB 0.173 63.361 63.200 -0.019 0.000 0.881 74 S HN 0.757 nan 8.310 nan 0.000 0.493 75 I N 3.286 123.938 120.570 0.137 0.000 3.300 75 I HA 0.326 4.496 4.170 0.001 0.000 0.279 75 I C -0.071 176.240 176.117 0.324 0.000 1.172 75 I CA 0.266 61.684 61.300 0.196 0.000 1.431 75 I CB 0.378 38.474 38.000 0.160 0.000 1.240 75 I HN 0.637 nan 8.210 nan 0.000 0.453 76 F N 1.444 121.468 119.950 0.123 0.000 3.090 76 F HA 0.364 4.891 4.527 0.001 0.000 0.381 76 F C -1.340 174.532 175.800 0.119 0.000 1.231 76 F CA -0.759 57.322 58.000 0.135 0.000 1.177 76 F CB 0.807 39.863 39.000 0.093 0.000 1.598 76 F HN -0.208 nan 8.300 nan 0.000 0.589 77 D N 6.231 126.469 120.400 -0.270 0.000 2.375 77 D HA 0.132 4.772 4.640 0.001 0.000 0.259 77 D C 0.771 176.933 176.300 -0.230 0.000 1.235 77 D CA -0.264 53.546 54.000 -0.317 0.000 0.924 77 D CB 1.494 42.218 40.800 -0.127 0.000 1.143 77 D HN 0.640 nan 8.370 nan 0.000 0.529 78 M N 2.524 121.834 119.600 -0.483 0.000 2.149 78 M HA -0.167 4.314 4.480 0.001 0.000 0.261 78 M C 1.970 178.261 176.300 -0.016 0.000 1.064 78 M CA 1.720 56.906 55.300 -0.190 0.000 1.102 78 M CB -0.501 31.965 32.600 -0.224 0.000 1.369 78 M HN 0.335 nan 8.290 nan 0.000 0.408 79 S N -0.507 115.144 115.700 -0.082 0.000 2.419 79 S HA -0.186 4.284 4.470 0.001 0.000 0.235 79 S C 1.889 176.467 174.600 -0.037 0.000 1.019 79 S CA 1.398 59.565 58.200 -0.054 0.000 0.982 79 S CB -0.560 62.591 63.200 -0.082 0.000 0.789 79 S HN 0.652 nan 8.310 nan 0.000 0.490 80 K N -0.712 119.656 120.400 -0.054 0.000 2.243 80 K HA 0.044 4.365 4.320 0.001 0.000 0.201 80 K C 1.643 178.151 176.600 -0.152 0.000 1.051 80 K CA 0.897 57.108 56.287 -0.126 0.000 0.970 80 K CB -0.204 32.176 32.500 -0.199 0.000 0.755 80 K HN 0.518 nan 8.250 nan 0.000 0.465 81 W N 1.375 122.630 121.300 -0.074 0.000 2.436 81 W HA -0.014 4.646 4.660 0.001 0.000 0.284 81 W C 2.413 178.906 176.519 -0.043 0.000 1.225 81 W CA 0.542 57.859 57.345 -0.047 0.000 1.271 81 W CB 0.024 29.462 29.460 -0.037 0.000 1.114 81 W HN 0.010 nan 8.180 nan 0.000 0.559 82 R N 0.706 121.303 120.500 0.161 0.000 2.092 82 R HA -0.087 4.253 4.340 0.001 0.000 0.231 82 R C 2.224 178.541 176.300 0.028 0.000 1.119 82 R CA 1.800 57.947 56.100 0.078 0.000 0.970 82 R CB -0.647 29.674 30.300 0.036 0.000 0.864 82 R HN 0.052 nan 8.270 nan 0.000 0.440 83 A N 0.665 123.482 122.820 -0.006 0.000 1.902 83 A HA -0.137 4.184 4.320 0.001 0.000 0.217 83 A C 2.000 179.561 177.584 -0.038 0.000 1.181 83 A CA 1.343 53.360 52.037 -0.034 0.000 0.623 83 A CB -0.711 18.254 19.000 -0.058 0.000 0.818 83 A HN 0.377 nan 8.150 nan 0.000 0.443 84 L N -0.389 120.807 121.223 -0.046 0.000 2.042 84 L HA -0.138 4.203 4.340 0.001 0.000 0.210 84 L C 2.422 179.290 176.870 -0.002 0.000 1.076 84 L CA 2.806 57.619 54.840 -0.045 0.000 0.749 84 L CB -1.127 40.886 42.059 -0.075 0.000 0.893 84 L HN 0.342 nan 8.230 nan 0.000 0.432 85 T N -0.515 114.061 114.554 0.038 0.000 2.777 85 T HA -0.100 4.251 4.350 0.001 0.000 0.266 85 T C 1.910 176.612 174.700 0.003 0.000 1.040 85 T CA 1.610 63.735 62.100 0.042 0.000 1.141 85 T CB -0.179 68.730 68.868 0.068 0.000 0.868 85 T HN 0.313 nan 8.240 nan 0.000 0.444 86 L N 0.709 121.928 121.223 -0.008 0.000 2.093 86 L HA -0.069 4.271 4.340 0.001 0.000 0.208 86 L C 2.783 179.624 176.870 -0.049 0.000 1.085 86 L CA 1.077 55.903 54.840 -0.023 0.000 0.755 86 L CB -0.503 41.544 42.059 -0.021 0.000 0.904 86 L HN 0.214 nan 8.230 nan 0.000 0.435 87 Q N 0.706 120.471 119.800 -0.058 0.000 2.167 87 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 87 Q C 1.926 177.846 176.000 -0.134 0.000 0.970 87 Q CA 1.584 57.333 55.803 -0.089 0.000 0.855 87 Q CB -0.006 28.684 28.738 -0.081 0.000 0.911 87 Q HN 0.422 nan 8.270 nan 0.000 0.438 88 E N -0.277 119.859 120.200 -0.105 0.000 2.051 88 E HA -0.182 4.168 4.350 0.001 0.000 0.192 88 E C 1.903 178.411 176.600 -0.153 0.000 0.991 88 E CA 1.314 57.636 56.400 -0.131 0.000 0.799 88 E CB 0.029 29.700 29.700 -0.048 0.000 0.748 88 E HN 0.279 nan 8.360 nan 0.000 0.449 89 K N 0.178 120.525 120.400 -0.089 0.000 2.026 89 K HA -0.103 4.218 4.320 0.001 0.000 0.208 89 K C 2.223 178.767 176.600 -0.092 0.000 1.048 89 K CA 1.005 57.252 56.287 -0.066 0.000 0.929 89 K CB -0.157 32.327 32.500 -0.027 0.000 0.713 89 K HN 0.057 nan 8.250 nan 0.000 0.439 90 A N 1.675 124.434 122.820 -0.102 0.000 1.908 90 A HA -0.187 4.133 4.320 0.001 0.000 0.218 90 A C 2.380 179.861 177.584 -0.171 0.000 1.181 90 A CA 2.027 54.002 52.037 -0.103 0.000 0.627 90 A CB -0.724 18.224 19.000 -0.087 0.000 0.818 90 A HN 0.362 nan 8.150 nan 0.000 0.445 91 A N -0.550 122.074 122.820 -0.327 0.000 1.902 91 A HA 0.118 4.438 4.320 0.001 0.000 0.217 91 A C 2.436 179.709 177.584 -0.517 0.000 1.181 91 A CA 1.948 53.587 52.037 -0.662 0.000 0.623 91 A CB -1.414 16.803 19.000 -1.305 0.000 0.818 91 A HN 0.764 nan 8.150 nan 0.000 0.443 92 G N -0.012 108.609 108.800 -0.297 0.000 2.440 92 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 92 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 92 G C 1.539 176.455 174.900 0.026 0.000 1.154 92 G CA 1.117 46.197 45.100 -0.033 0.000 0.767 92 G HN 0.474 nan 8.290 nan 0.000 0.552 93 I N -0.016 120.545 120.570 -0.016 0.000 2.179 93 I HA -0.207 3.963 4.170 0.001 0.000 0.242 93 I C 2.870 179.014 176.117 0.045 0.000 1.088 93 I CA 1.428 62.737 61.300 0.014 0.000 1.357 93 I CB -0.221 37.778 38.000 -0.002 0.000 1.051 93 I HN 0.175 nan 8.210 nan 0.000 0.409 94 Q N 0.902 120.720 119.800 0.031 0.000 2.181 94 Q HA -0.285 4.056 4.340 0.001 0.000 0.205 94 Q C 1.568 177.671 176.000 0.171 0.000 0.980 94 Q CA 2.020 57.873 55.803 0.083 0.000 0.862 94 Q CB -0.330 28.444 28.738 0.059 0.000 0.905 94 Q HN 0.489 nan 8.270 nan 0.000 0.429 95 D N -1.926 118.607 120.400 0.222 0.000 2.149 95 D HA -0.080 4.561 4.640 0.001 0.000 0.201 95 D C 1.583 178.011 176.300 0.214 0.000 0.972 95 D CA 0.850 55.020 54.000 0.283 0.000 0.835 95 D CB 0.213 41.233 40.800 0.367 0.000 0.966 95 D HN 0.145 nan 8.370 nan 0.000 0.476 96 V N -0.087 119.915 119.914 0.146 0.000 2.427 96 V HA -0.192 3.929 4.120 0.001 0.000 0.248 96 V C 2.401 178.548 176.094 0.089 0.000 1.051 96 V CA 1.893 64.253 62.300 0.099 0.000 1.048 96 V CB -0.553 31.309 31.823 0.065 0.000 0.666 96 V HN 0.310 nan 8.190 nan 0.000 0.456 97 T N -1.010 113.605 114.554 0.101 0.000 2.746 97 T HA -0.227 4.123 4.350 0.001 0.000 0.267 97 T C 1.737 176.505 174.700 0.113 0.000 1.039 97 T CA 2.000 64.153 62.100 0.088 0.000 1.142 97 T CB -0.333 68.585 68.868 0.083 0.000 0.866 97 T HN 0.573 nan 8.240 nan 0.000 0.444 98 Y N 1.823 122.151 120.300 0.046 0.000 2.145 98 Y HA -0.184 4.367 4.550 0.001 0.000 0.286 98 Y C 2.600 178.520 175.900 0.034 0.000 1.145 98 Y CA 1.442 59.567 58.100 0.041 0.000 1.148 98 Y CB -0.484 38.005 38.460 0.049 0.000 0.981 98 Y HN 0.227 nan 8.280 nan 0.000 0.507 99 Q N -0.952 118.875 119.800 0.045 0.000 2.112 99 Q HA -0.235 4.106 4.340 0.001 0.000 0.206 99 Q C 2.148 178.092 176.000 -0.093 0.000 0.987 99 Q CA 2.510 58.290 55.803 -0.038 0.000 0.858 99 Q CB -0.352 28.411 28.738 0.041 0.000 0.905 99 Q HN 0.449 nan 8.270 nan 0.000 0.420 100 T N 0.776 115.299 114.554 -0.051 0.000 2.746 100 T HA -0.128 4.223 4.350 0.001 0.000 0.267 100 T C 1.035 175.685 174.700 -0.084 0.000 1.039 100 T CA 1.456 63.526 62.100 -0.050 0.000 1.142 100 T CB -0.213 68.644 68.868 -0.018 0.000 0.866 100 T HN 0.241 nan 8.240 nan 0.000 0.444 101 D N 0.930 121.256 120.400 -0.122 0.000 2.224 101 D HA -0.019 4.622 4.640 0.001 0.000 0.205 101 D C 2.331 178.512 176.300 -0.199 0.000 0.965 101 D CA 0.677 54.596 54.000 -0.135 0.000 0.852 101 D CB -0.227 40.510 40.800 -0.105 0.000 0.947 101 D HN 0.442 nan 8.370 nan 0.000 0.494 102 Q N 0.265 119.867 119.800 -0.330 0.000 2.030 102 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 102 Q C 2.210 178.146 176.000 -0.107 0.000 0.986 102 Q CA 1.173 56.814 55.803 -0.270 0.000 0.843 102 Q CB -0.062 28.486 28.738 -0.316 0.000 0.904 102 Q HN 0.400 nan 8.270 nan 0.000 0.420 103 Q N -0.437 119.305 119.800 -0.097 0.000 2.061 103 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 103 Q C 2.157 178.127 176.000 -0.051 0.000 0.984 103 Q CA 1.808 57.572 55.803 -0.065 0.000 0.846 103 Q CB -0.124 28.580 28.738 -0.057 0.000 0.902 103 Q HN 0.372 nan 8.270 nan 0.000 0.421 104 T N 1.576 116.101 114.554 -0.048 0.000 2.737 104 T HA -0.173 4.177 4.350 0.001 0.000 0.269 104 T C 1.715 176.406 174.700 -0.014 0.000 1.040 104 T CA 1.019 63.100 62.100 -0.030 0.000 1.142 104 T CB -0.266 68.586 68.868 -0.027 0.000 0.861 104 T HN 0.118 nan 8.240 nan 0.000 0.456 105 L N 0.864 122.085 121.223 -0.004 0.000 2.012 105 L HA -0.005 4.335 4.340 0.001 0.000 0.210 105 L C 2.120 179.041 176.870 0.084 0.000 1.073 105 L CA 1.505 56.373 54.840 0.048 0.000 0.748 105 L CB -0.616 41.485 42.059 0.070 0.000 0.891 105 L HN 0.291 nan 8.230 nan 0.000 0.431 106 I N -1.299 119.295 120.570 0.041 0.000 2.099 106 I HA -0.321 3.849 4.170 0.001 0.000 0.239 106 I C 2.349 178.407 176.117 -0.098 0.000 1.066 106 I CA 1.413 62.647 61.300 -0.110 0.000 1.324 106 I CB -0.452 37.409 38.000 -0.231 0.000 1.037 106 I HN 0.285 nan 8.210 nan 0.000 0.401 107 L N 0.954 122.138 121.223 -0.065 0.000 2.191 107 L HA -0.195 4.145 4.340 0.001 0.000 0.212 107 L C 1.911 178.764 176.870 -0.028 0.000 1.103 107 L CA 1.890 56.704 54.840 -0.044 0.000 0.769 107 L CB -0.746 41.297 42.059 -0.026 0.000 0.908 107 L HN 0.216 nan 8.230 nan 0.000 0.438 108 N N -1.768 116.922 118.700 -0.017 0.000 2.376 108 N HA -0.045 4.695 4.740 0.001 0.000 0.177 108 N C 1.612 177.115 175.510 -0.011 0.000 1.024 108 N CA 1.375 54.421 53.050 -0.007 0.000 0.893 108 N CB -0.103 38.385 38.487 0.001 0.000 0.980 108 N HN 0.329 nan 8.380 nan 0.000 0.439 109 T N 0.240 114.789 114.554 -0.008 0.000 2.809 109 T HA 0.053 4.403 4.350 0.001 0.000 0.260 109 T C 1.980 176.623 174.700 -0.095 0.000 1.039 109 T CA 1.136 63.230 62.100 -0.009 0.000 1.141 109 T CB -0.373 68.541 68.868 0.076 0.000 0.869 109 T HN 0.238 nan 8.240 nan 0.000 0.437 110 A N 1.666 124.386 122.820 -0.166 0.000 1.865 110 A HA -0.180 4.141 4.320 0.001 0.000 0.217 110 A C 2.559 179.989 177.584 -0.256 0.000 1.191 110 A CA 2.311 54.152 52.037 -0.326 0.000 0.623 110 A CB -1.476 17.391 19.000 -0.222 0.000 0.826 110 A HN 0.455 nan 8.150 nan 0.000 0.444 111 T N 0.108 114.622 114.554 -0.068 0.000 2.684 111 T HA -0.054 4.297 4.350 0.001 0.000 0.267 111 T C 2.184 176.881 174.700 -0.005 0.000 1.036 111 T CA 1.791 63.903 62.100 0.020 0.000 1.148 111 T CB -0.455 68.434 68.868 0.035 0.000 0.863 111 T HN 0.622 nan 8.240 nan 0.000 0.436 112 A N 0.091 122.893 122.820 -0.030 0.000 1.930 112 A HA -0.050 4.271 4.320 0.001 0.000 0.217 112 A C 2.059 179.604 177.584 -0.066 0.000 1.175 112 A CA 1.322 53.340 52.037 -0.031 0.000 0.627 112 A CB -0.945 18.043 19.000 -0.020 0.000 0.815 112 A HN 0.591 nan 8.150 nan 0.000 0.443 113 Y N -0.433 119.709 120.300 -0.263 0.000 2.128 113 Y HA -0.238 4.312 4.550 0.001 0.000 0.284 113 Y C 1.872 177.583 175.900 -0.315 0.000 1.154 113 Y CA 2.134 60.019 58.100 -0.359 0.000 1.149 113 Y CB -0.352 37.776 38.460 -0.552 0.000 0.976 113 Y HN 0.296 nan 8.280 nan 0.000 0.505 114 F N 0.128 120.087 119.950 0.014 0.000 2.293 114 F HA -0.110 4.418 4.527 0.001 0.000 0.297 114 F C 2.065 177.628 175.800 -0.394 0.000 1.089 114 F CA 0.917 58.755 58.000 -0.270 0.000 1.377 114 F CB -1.133 37.752 39.000 -0.191 0.000 1.051 114 F HN 0.086 nan 8.300 nan 0.000 0.511 115 N N 0.201 118.878 118.700 -0.037 0.000 2.289 115 N HA -0.120 4.620 4.740 0.001 0.000 0.184 115 N C 2.089 177.530 175.510 -0.114 0.000 1.016 115 N CA 0.831 53.843 53.050 -0.064 0.000 0.872 115 N CB -0.477 37.998 38.487 -0.021 0.000 0.973 115 N HN 0.118 nan 8.380 nan 0.000 0.433 116 V N 1.036 120.852 119.914 -0.163 0.000 2.346 116 V HA -0.061 4.060 4.120 0.001 0.000 0.244 116 V C 2.339 178.305 176.094 -0.214 0.000 1.037 116 V CA 0.820 63.010 62.300 -0.183 0.000 1.029 116 V CB -0.387 31.295 31.823 -0.235 0.000 0.663 116 V HN 0.247 nan 8.190 nan 0.000 0.454 117 L N 0.413 121.456 121.223 -0.300 0.000 2.081 117 L HA -0.257 4.083 4.340 0.001 0.000 0.212 117 L C 2.355 179.097 176.870 -0.213 0.000 1.080 117 L CA 2.174 56.848 54.840 -0.277 0.000 0.754 117 L CB -0.702 41.157 42.059 -0.333 0.000 0.893 117 L HN 0.467 nan 8.230 nan 0.000 0.433 118 N N -0.091 118.438 118.700 -0.286 0.000 2.207 118 N HA -0.083 4.658 4.740 0.001 0.000 0.182 118 N C 1.786 177.275 175.510 -0.034 0.000 1.020 118 N CA 1.209 54.233 53.050 -0.042 0.000 0.858 118 N CB -0.010 38.466 38.487 -0.017 0.000 0.991 118 N HN 0.234 nan 8.380 nan 0.000 0.427 119 A N 0.318 123.097 122.820 -0.069 0.000 2.019 119 A HA -0.062 4.258 4.320 0.001 0.000 0.219 119 A C 2.174 179.718 177.584 -0.067 0.000 1.164 119 A CA 0.891 52.896 52.037 -0.054 0.000 0.644 119 A CB -0.630 18.337 19.000 -0.055 0.000 0.805 119 A HN 0.385 nan 8.150 nan 0.000 0.449 120 I N -0.664 119.855 120.570 -0.086 0.000 2.235 120 I HA -0.167 4.004 4.170 0.001 0.000 0.241 120 I C 1.972 178.003 176.117 -0.143 0.000 1.085 120 I CA 1.276 62.518 61.300 -0.096 0.000 1.378 120 I CB -0.462 37.481 38.000 -0.094 0.000 1.076 120 I HN 0.205 nan 8.210 nan 0.000 0.415 121 D N 0.776 121.081 120.400 -0.158 0.000 2.106 121 D HA -0.171 4.469 4.640 0.001 0.000 0.191 121 D C 2.302 178.346 176.300 -0.427 0.000 0.997 121 D CA 1.260 55.035 54.000 -0.374 0.000 0.834 121 D CB -0.422 40.238 40.800 -0.233 0.000 0.956 121 D HN 0.086 nan 8.370 nan 0.000 0.448 122 V N 0.833 120.656 119.914 -0.151 0.000 2.287 122 V HA -0.242 3.878 4.120 0.001 0.000 0.248 122 V C 2.527 178.601 176.094 -0.034 0.000 1.053 122 V CA 1.260 63.539 62.300 -0.034 0.000 1.027 122 V CB -0.522 31.307 31.823 0.010 0.000 0.646 122 V HN 0.139 nan 8.190 nan 0.000 0.447 123 L N 1.050 122.234 121.223 -0.065 0.000 1.971 123 L HA -0.228 4.112 4.340 0.001 0.000 0.215 123 L C 2.809 179.652 176.870 -0.044 0.000 1.072 123 L CA 2.772 57.582 54.840 -0.051 0.000 0.758 123 L CB -0.816 41.208 42.059 -0.058 0.000 0.889 123 L HN 0.539 nan 8.230 nan 0.000 0.433 124 S N -1.881 113.763 115.700 -0.093 0.000 2.399 124 S HA -0.225 4.245 4.470 0.001 0.000 0.231 124 S C 2.035 176.688 174.600 0.089 0.000 1.022 124 S CA 1.176 59.346 58.200 -0.050 0.000 0.983 124 S CB -0.938 62.202 63.200 -0.100 0.000 0.803 124 S HN 0.495 nan 8.310 nan 0.000 0.480 125 Y N 2.553 122.894 120.300 0.068 0.000 2.200 125 Y HA 0.050 4.600 4.550 0.001 0.000 0.290 125 Y C 3.103 179.026 175.900 0.039 0.000 1.137 125 Y CA 0.736 58.927 58.100 0.152 0.000 1.163 125 Y CB -1.564 37.004 38.460 0.179 0.000 0.988 125 Y HN 0.289 nan 8.280 nan 0.000 0.518 126 T N 0.099 114.738 114.554 0.141 0.000 2.833 126 T HA -0.201 4.150 4.350 0.001 0.000 0.269 126 T C 1.793 176.450 174.700 -0.071 0.000 1.054 126 T CA 1.505 63.604 62.100 -0.002 0.000 1.135 126 T CB -0.198 68.662 68.868 -0.014 0.000 0.869 126 T HN 0.442 nan 8.240 nan 0.000 0.466 127 Q N 0.475 120.257 119.800 -0.031 0.000 2.083 127 Q HA 0.093 4.433 4.340 0.001 0.000 0.198 127 Q C 2.750 178.717 176.000 -0.054 0.000 0.969 127 Q CA 1.209 56.983 55.803 -0.047 0.000 0.838 127 Q CB -0.246 28.479 28.738 -0.021 0.000 0.900 127 Q HN 0.544 nan 8.270 nan 0.000 0.436 128 A N 1.044 123.856 122.820 -0.012 0.000 1.969 128 A HA -0.245 4.075 4.320 0.001 0.000 0.218 128 A C 1.994 179.360 177.584 -0.363 0.000 1.169 128 A CA 1.491 53.519 52.037 -0.016 0.000 0.635 128 A CB -0.440 18.724 19.000 0.273 0.000 0.810 128 A HN 0.396 nan 8.150 nan 0.000 0.445 129 Q N -0.046 119.366 119.800 -0.646 0.000 2.049 129 Q HA -0.187 4.154 4.340 0.001 0.000 0.198 129 Q C 2.140 177.938 176.000 -0.336 0.000 0.971 129 Q CA 1.759 57.071 55.803 -0.817 0.000 0.833 129 Q CB -0.204 28.142 28.738 -0.653 0.000 0.896 129 Q HN 0.654 nan 8.270 nan 0.000 0.434 130 K N 0.735 121.002 120.400 -0.222 0.000 1.987 130 K HA -0.290 4.030 4.320 0.001 0.000 0.216 130 K C 2.076 178.698 176.600 0.037 0.000 1.051 130 K CA 1.998 58.207 56.287 -0.131 0.000 0.942 130 K CB -0.360 32.037 32.500 -0.172 0.000 0.722 130 K HN 0.335 nan 8.250 nan 0.000 0.444 131 E N -0.159 120.046 120.200 0.008 0.000 2.147 131 E HA -0.242 4.109 4.350 0.001 0.000 0.199 131 E C 1.667 178.329 176.600 0.104 0.000 1.005 131 E CA 1.321 57.763 56.400 0.070 0.000 0.810 131 E CB -0.173 29.545 29.700 0.029 0.000 0.736 131 E HN 0.475 nan 8.360 nan 0.000 0.460 132 A N 0.866 123.702 122.820 0.027 0.000 1.968 132 A HA -0.061 4.259 4.320 0.001 0.000 0.217 132 A C 2.146 179.762 177.584 0.054 0.000 1.169 132 A CA 0.944 53.004 52.037 0.039 0.000 0.638 132 A CB -0.376 18.628 19.000 0.006 0.000 0.812 132 A HN 0.342 nan 8.150 nan 0.000 0.446 133 I N -2.129 118.485 120.570 0.074 0.000 2.315 133 I HA -0.216 3.955 4.170 0.001 0.000 0.248 133 I C 2.412 178.615 176.117 0.144 0.000 1.117 133 I CA 1.328 62.696 61.300 0.113 0.000 1.404 133 I CB -0.447 37.659 38.000 0.177 0.000 1.071 133 I HN 0.462 nan 8.210 nan 0.000 0.419 134 Y N 2.111 122.466 120.300 0.093 0.000 2.097 134 Y HA -0.268 4.282 4.550 0.001 0.000 0.282 134 Y C 2.771 178.641 175.900 -0.050 0.000 1.152 134 Y CA 1.768 59.843 58.100 -0.043 0.000 1.136 134 Y CB -0.269 38.204 38.460 0.021 0.000 0.975 134 Y HN -0.039 nan 8.280 nan 0.000 0.498 135 R N -0.376 120.181 120.500 0.094 0.000 2.120 135 R HA -0.184 4.156 4.340 0.001 0.000 0.234 135 R C 2.211 178.498 176.300 -0.022 0.000 1.123 135 R CA 1.741 57.858 56.100 0.027 0.000 0.975 135 R CB -0.252 30.095 30.300 0.080 0.000 0.866 135 R HN 0.523 nan 8.270 nan 0.000 0.446 136 Q N -0.124 119.654 119.800 -0.036 0.000 2.311 136 Q HA -0.064 4.276 4.340 0.001 0.000 0.203 136 Q C 1.770 177.704 176.000 -0.110 0.000 0.954 136 Q CA 0.539 56.291 55.803 -0.085 0.000 0.885 136 Q CB 0.157 28.800 28.738 -0.158 0.000 0.963 136 Q HN 0.181 nan 8.270 nan 0.000 0.471 137 L N 0.514 121.648 121.223 -0.149 0.000 2.240 137 L HA -0.043 4.298 4.340 0.001 0.000 0.211 137 L C 1.299 178.046 176.870 -0.205 0.000 1.106 137 L CA 1.514 56.235 54.840 -0.198 0.000 0.793 137 L CB 0.231 42.104 42.059 -0.310 0.000 0.927 137 L HN 0.009 nan 8.230 nan 0.000 0.446 138 D N -1.164 119.098 120.400 -0.229 0.000 2.328 138 D HA -0.048 4.592 4.640 0.001 0.000 0.221 138 D C 1.449 177.722 176.300 -0.045 0.000 1.072 138 D CA 0.239 54.130 54.000 -0.182 0.000 0.850 138 D CB 0.559 41.203 40.800 -0.260 0.000 0.922 138 D HN 0.514 nan 8.370 nan 0.000 0.516 139 Q N -0.868 118.950 119.800 0.030 0.000 2.316 139 Q HA 0.021 4.361 4.340 0.001 0.000 0.235 139 Q C 1.411 177.530 176.000 0.197 0.000 0.863 139 Q CA 0.318 56.193 55.803 0.120 0.000 0.939 139 Q CB 0.619 29.481 28.738 0.206 0.000 1.108 139 Q HN -0.043 nan 8.270 nan 0.000 0.522 140 T N -0.938 113.736 114.554 0.201 0.000 3.107 140 T HA 0.059 4.409 4.350 0.001 0.000 0.249 140 T C 1.149 175.920 174.700 0.118 0.000 1.096 140 T CA 0.984 63.219 62.100 0.224 0.000 1.012 140 T CB 0.206 69.175 68.868 0.170 0.000 0.977 140 T HN 0.090 nan 8.240 nan 0.000 0.527 141 T N 0.519 115.107 114.554 0.056 0.000 3.044 141 T HA 0.276 4.627 4.350 0.001 0.000 0.260 141 T C 1.090 175.840 174.700 0.083 0.000 1.019 141 T CA -0.058 62.071 62.100 0.049 0.000 0.921 141 T CB 0.125 68.962 68.868 -0.052 0.000 1.053 141 T HN 0.395 nan 8.240 nan 0.000 0.533 142 Q N -0.291 119.550 119.800 0.068 0.000 2.159 142 Q HA 0.344 4.684 4.340 0.001 0.000 0.217 142 Q C 1.424 177.449 176.000 0.041 0.000 0.818 142 Q CA -0.111 55.720 55.803 0.047 0.000 1.008 142 Q CB 0.928 29.678 28.738 0.020 0.000 1.148 142 Q HN 0.230 nan 8.270 nan 0.000 0.491 143 R N -1.152 119.392 120.500 0.072 0.000 2.435 143 R HA 0.137 4.477 4.340 0.001 0.000 0.221 143 R C 1.382 177.726 176.300 0.074 0.000 0.885 143 R CA -0.013 56.109 56.100 0.036 0.000 1.018 143 R CB 0.308 30.605 30.300 -0.005 0.000 1.259 143 R HN 0.091 nan 8.270 nan 0.000 0.597 144 F N 2.465 122.412 119.950 -0.005 0.000 2.163 144 F HA -0.046 4.481 4.527 0.001 0.000 0.297 144 F C 1.528 177.321 175.800 -0.011 0.000 1.094 144 F CA 1.374 59.372 58.000 -0.004 0.000 1.290 144 F CB 0.002 39.003 39.000 0.001 0.000 1.017 144 F HN -0.121 nan 8.300 nan 0.000 0.483 145 N N 0.498 119.217 118.700 0.032 0.000 2.272 145 N HA -0.135 4.605 4.740 0.001 0.000 0.185 145 N C 1.477 176.903 175.510 -0.140 0.000 1.014 145 N CA 1.605 54.613 53.050 -0.071 0.000 0.870 145 N CB -0.435 38.071 38.487 0.031 0.000 0.975 145 N HN 0.288 nan 8.380 nan 0.000 0.433 146 V N -1.238 118.612 119.914 -0.107 0.000 3.514 146 V HA 0.358 4.479 4.120 0.001 0.000 0.301 146 V C 1.585 177.603 176.094 -0.126 0.000 1.346 146 V CA 0.567 62.809 62.300 -0.097 0.000 1.156 146 V CB -0.262 31.526 31.823 -0.059 0.000 1.029 146 V HN 0.397 nan 8.190 nan 0.000 0.428 147 G N 1.970 110.646 108.800 -0.207 0.000 2.268 147 G HA2 -0.272 3.689 3.960 0.001 0.000 0.240 147 G HA3 -0.272 3.689 3.960 0.001 0.000 0.240 147 G C 0.527 175.344 174.900 -0.139 0.000 1.010 147 G CA 0.242 45.212 45.100 -0.216 0.000 0.618 147 G HN 0.716 nan 8.290 nan 0.000 0.516 148 L N 0.087 121.260 121.223 -0.083 0.000 2.805 148 L HA 0.821 5.161 4.340 0.001 0.000 0.237 148 L C 0.426 177.299 176.870 0.005 0.000 1.252 148 L CA -0.424 54.391 54.840 -0.041 0.000 1.064 148 L CB 0.680 42.711 42.059 -0.048 0.000 1.361 148 L HN 0.866 nan 8.230 nan 0.000 0.474 149 V N -0.953 118.993 119.914 0.054 0.000 2.777 149 V HA 0.902 5.022 4.120 0.001 0.000 0.306 149 V C 0.122 176.376 176.094 0.267 0.000 1.112 149 V CA -0.255 62.135 62.300 0.150 0.000 0.917 149 V CB 1.541 33.475 31.823 0.186 0.000 1.018 149 V HN 0.421 nan 8.190 nan 0.000 0.426 150 A N 5.177 128.116 122.820 0.199 0.000 2.425 150 A HA 0.439 4.759 4.320 0.001 0.000 0.242 150 A C 1.117 178.854 177.584 0.256 0.000 1.077 150 A CA 0.438 52.602 52.037 0.213 0.000 0.781 150 A CB 0.244 19.313 19.000 0.115 0.000 1.020 150 A HN 1.534 nan 8.150 nan 0.000 0.494 151 I N 1.208 121.940 120.570 0.269 0.000 2.493 151 I HA -0.171 3.999 4.170 0.001 0.000 0.254 151 I C 2.264 178.330 176.117 -0.085 0.000 1.160 151 I CA 2.005 63.302 61.300 -0.005 0.000 1.445 151 I CB 0.010 38.049 38.000 0.066 0.000 1.086 151 I HN 0.857 nan 8.210 nan 0.000 0.433 152 T N -3.482 111.072 114.554 -0.001 0.000 3.118 152 T HA -0.057 4.294 4.350 0.001 0.000 0.260 152 T C 1.397 176.088 174.700 -0.015 0.000 1.139 152 T CA 0.632 62.724 62.100 -0.013 0.000 1.085 152 T CB -0.291 68.583 68.868 0.010 0.000 0.934 152 T HN 0.253 nan 8.240 nan 0.000 0.518 153 D N 0.663 121.062 120.400 -0.002 0.000 2.289 153 D HA 0.097 4.737 4.640 0.001 0.000 0.207 153 D C 1.948 178.224 176.300 -0.040 0.000 0.966 153 D CA 0.327 54.331 54.000 0.006 0.000 0.868 153 D CB 0.276 41.114 40.800 0.062 0.000 0.943 153 D HN 0.311 nan 8.370 nan 0.000 0.514 154 V N 0.489 120.336 119.914 -0.112 0.000 2.992 154 V HA -0.054 4.066 4.120 0.001 0.000 0.250 154 V C 2.235 178.242 176.094 -0.146 0.000 1.090 154 V CA 0.817 63.013 62.300 -0.174 0.000 1.101 154 V CB 0.083 31.692 31.823 -0.358 0.000 0.743 154 V HN 0.109 nan 8.190 nan 0.000 0.468 155 Q N -0.153 119.573 119.800 -0.123 0.000 2.123 155 Q HA -0.141 4.199 4.340 0.001 0.000 0.199 155 Q C 2.166 178.138 176.000 -0.047 0.000 0.966 155 Q CA 1.206 56.960 55.803 -0.082 0.000 0.845 155 Q CB -0.229 28.469 28.738 -0.066 0.000 0.907 155 Q HN 0.574 nan 8.270 nan 0.000 0.439 156 N N 0.895 119.572 118.700 -0.039 0.000 2.084 156 N HA -0.138 4.602 4.740 0.001 0.000 0.190 156 N C 1.659 177.157 175.510 -0.021 0.000 1.030 156 N CA 1.451 54.488 53.050 -0.023 0.000 0.849 156 N CB 0.035 38.512 38.487 -0.017 0.000 1.012 156 N HN 0.192 nan 8.380 nan 0.000 0.423 157 A N 1.116 123.915 122.820 -0.036 0.000 1.969 157 A HA -0.062 4.258 4.320 0.001 0.000 0.218 157 A C 2.315 179.895 177.584 -0.006 0.000 1.169 157 A CA 0.755 52.772 52.037 -0.033 0.000 0.635 157 A CB -0.347 18.615 19.000 -0.064 0.000 0.810 157 A HN 0.202 nan 8.150 nan 0.000 0.445 158 R N -0.404 120.082 120.500 -0.022 0.000 2.100 158 R HA 0.075 4.415 4.340 0.001 0.000 0.220 158 R C 2.211 178.550 176.300 0.065 0.000 1.091 158 R CA 1.211 57.316 56.100 0.007 0.000 0.986 158 R CB -0.458 29.817 30.300 -0.042 0.000 0.888 158 R HN 0.433 nan 8.270 nan 0.000 0.444 159 A N 0.493 123.330 122.820 0.029 0.000 2.015 159 A HA -0.149 4.172 4.320 0.001 0.000 0.219 159 A C 1.987 179.593 177.584 0.036 0.000 1.163 159 A CA 1.029 53.083 52.037 0.029 0.000 0.646 159 A CB -0.285 18.720 19.000 0.008 0.000 0.806 159 A HN 0.383 nan 8.150 nan 0.000 0.448 160 Q N -2.336 117.490 119.800 0.042 0.000 2.212 160 Q HA -0.080 4.261 4.340 0.001 0.000 0.199 160 Q C 1.770 177.806 176.000 0.060 0.000 0.950 160 Q CA 0.984 56.807 55.803 0.032 0.000 0.863 160 Q CB -0.092 28.656 28.738 0.016 0.000 0.944 160 Q HN 0.840 nan 8.270 nan 0.000 0.465 161 Y N 1.184 121.469 120.300 -0.025 0.000 2.263 161 Y HA -0.172 4.378 4.550 0.001 0.000 0.292 161 Y C 1.480 177.376 175.900 -0.006 0.000 1.130 161 Y CA 1.484 59.578 58.100 -0.010 0.000 1.179 161 Y CB 0.144 38.612 38.460 0.013 0.000 0.998 161 Y HN 0.109 nan 8.280 nan 0.000 0.532 162 D N -0.630 119.841 120.400 0.120 0.000 2.178 162 D HA -0.148 4.492 4.640 0.001 0.000 0.201 162 D C 2.035 178.294 176.300 -0.068 0.000 0.980 162 D CA 1.739 55.755 54.000 0.026 0.000 0.842 162 D CB -0.227 40.614 40.800 0.068 0.000 0.948 162 D HN 0.366 nan 8.370 nan 0.000 0.472 163 T N -0.075 114.443 114.554 -0.059 0.000 2.770 163 T HA -0.091 4.260 4.350 0.001 0.000 0.263 163 T C 2.021 176.650 174.700 -0.118 0.000 1.039 163 T CA 0.589 62.648 62.100 -0.069 0.000 1.142 163 T CB -0.338 68.505 68.868 -0.041 0.000 0.868 163 T HN -0.025 nan 8.240 nan 0.000 0.435 164 V N 1.347 121.160 119.914 -0.169 0.000 2.720 164 V HA -0.038 4.082 4.120 0.001 0.000 0.256 164 V C 2.109 178.041 176.094 -0.270 0.000 1.082 164 V CA 1.259 63.432 62.300 -0.211 0.000 1.101 164 V CB -0.527 31.153 31.823 -0.238 0.000 0.693 164 V HN 0.463 nan 8.190 nan 0.000 0.479 165 L N -0.335 120.684 121.223 -0.339 0.000 2.072 165 L HA -0.032 4.308 4.340 0.001 0.000 0.205 165 L C 2.642 179.421 176.870 -0.152 0.000 1.079 165 L CA 1.534 56.202 54.840 -0.287 0.000 0.752 165 L CB -0.651 41.238 42.059 -0.283 0.000 0.906 165 L HN 0.424 nan 8.230 nan 0.000 0.436 166 A N -0.387 122.364 122.820 -0.115 0.000 2.016 166 A HA -0.132 4.188 4.320 0.001 0.000 0.217 166 A C 1.898 179.442 177.584 -0.067 0.000 1.162 166 A CA 1.153 53.147 52.037 -0.072 0.000 0.662 166 A CB -0.344 18.625 19.000 -0.052 0.000 0.812 166 A HN 0.380 nan 8.150 nan 0.000 0.450 167 N N 0.029 118.681 118.700 -0.081 0.000 2.171 167 N HA -0.121 4.619 4.740 0.001 0.000 0.184 167 N C 1.653 177.124 175.510 -0.065 0.000 1.021 167 N CA 1.328 54.339 53.050 -0.065 0.000 0.854 167 N CB -0.406 38.041 38.487 -0.066 0.000 0.994 167 N HN 0.695 nan 8.380 nan 0.000 0.426 168 E N 0.633 120.780 120.200 -0.088 0.000 2.160 168 E HA -0.169 4.182 4.350 0.001 0.000 0.195 168 E C 1.895 178.458 176.600 -0.062 0.000 0.991 168 E CA 0.568 56.921 56.400 -0.079 0.000 0.810 168 E CB -0.039 29.599 29.700 -0.103 0.000 0.742 168 E HN 0.290 nan 8.360 nan 0.000 0.466 169 L N 0.499 121.686 121.223 -0.061 0.000 1.973 169 L HA -0.112 4.228 4.340 0.001 0.000 0.208 169 L C 2.348 179.196 176.870 -0.037 0.000 1.073 169 L CA 1.824 56.636 54.840 -0.047 0.000 0.746 169 L CB -0.307 41.725 42.059 -0.045 0.000 0.891 169 L HN 0.234 nan 8.230 nan 0.000 0.433 170 T N -2.731 111.802 114.554 -0.034 0.000 3.509 170 T HA 0.217 4.567 4.350 0.001 0.000 0.250 170 T C 0.820 175.505 174.700 -0.024 0.000 1.076 170 T CA 0.431 62.516 62.100 -0.026 0.000 0.966 170 T CB 0.149 69.004 68.868 -0.022 0.000 1.046 170 T HN 0.389 nan 8.240 nan 0.000 0.591 171 A N 0.873 123.675 122.820 -0.029 0.000 1.988 171 A HA 0.541 4.862 4.320 0.001 0.000 0.201 171 A C 2.609 180.176 177.584 -0.028 0.000 1.410 171 A CA 0.583 52.604 52.037 -0.027 0.000 0.832 171 A CB -0.829 18.153 19.000 -0.030 0.000 0.981 171 A HN 0.568 nan 8.150 nan 0.000 0.492 172 R N 0.823 121.304 120.500 -0.032 0.000 2.081 172 R HA -0.173 4.167 4.340 0.001 0.000 0.235 172 R C 1.903 178.188 176.300 -0.026 0.000 1.131 172 R CA 2.187 58.268 56.100 -0.032 0.000 0.960 172 R CB -1.820 28.460 30.300 -0.034 0.000 0.856 172 R HN 0.685 nan 8.270 nan 0.000 0.436 173 N N 0.986 119.672 118.700 -0.023 0.000 2.018 173 N HA -0.214 4.527 4.740 0.001 0.000 0.196 173 N C 1.714 177.216 175.510 -0.014 0.000 1.043 173 N CA 2.107 55.146 53.050 -0.018 0.000 0.856 173 N CB -0.286 38.191 38.487 -0.016 0.000 1.042 173 N HN 0.565 nan 8.380 nan 0.000 0.423 174 N N 0.089 118.781 118.700 -0.014 0.000 2.096 174 N HA -0.194 4.547 4.740 0.001 0.000 0.195 174 N C 1.609 177.110 175.510 -0.015 0.000 1.017 174 N CA 1.104 54.147 53.050 -0.012 0.000 0.870 174 N CB -0.670 37.810 38.487 -0.012 0.000 1.024 174 N HN 0.359 nan 8.380 nan 0.000 0.434 175 L N 1.053 122.263 121.223 -0.021 0.000 2.027 175 L HA -0.091 4.249 4.340 0.001 0.000 0.206 175 L C 1.540 178.402 176.870 -0.014 0.000 1.074 175 L CA 1.881 56.705 54.840 -0.026 0.000 0.745 175 L CB -0.733 41.306 42.059 -0.034 0.000 0.898 175 L HN 0.008 nan 8.230 nan 0.000 0.433 176 D N -0.226 120.168 120.400 -0.010 0.000 2.097 176 D HA -0.159 4.481 4.640 0.001 0.000 0.195 176 D C 1.870 178.182 176.300 0.020 0.000 0.989 176 D CA 1.188 55.188 54.000 0.000 0.000 0.827 176 D CB -0.236 40.558 40.800 -0.011 0.000 0.966 176 D HN 0.404 nan 8.370 nan 0.000 0.456 177 N N 0.759 119.467 118.700 0.012 0.000 2.289 177 N HA -0.097 4.644 4.740 0.001 0.000 0.184 177 N C 1.665 177.187 175.510 0.020 0.000 1.016 177 N CA 0.933 53.995 53.050 0.020 0.000 0.872 177 N CB -0.274 38.219 38.487 0.010 0.000 0.973 177 N HN 0.120 nan 8.380 nan 0.000 0.433 178 A N 0.704 123.528 122.820 0.007 0.000 1.933 178 A HA -0.099 4.221 4.320 0.001 0.000 0.218 178 A C 2.372 179.961 177.584 0.008 0.000 1.175 178 A CA 1.750 53.785 52.037 -0.004 0.000 0.628 178 A CB -0.718 18.265 19.000 -0.028 0.000 0.814 178 A HN 0.229 nan 8.150 nan 0.000 0.444 179 V N -2.693 117.243 119.914 0.037 0.000 2.719 179 V HA -0.060 4.060 4.120 0.001 0.000 0.252 179 V C 1.849 178.016 176.094 0.123 0.000 1.065 179 V CA 2.005 64.358 62.300 0.088 0.000 1.086 179 V CB -0.564 31.341 31.823 0.138 0.000 0.700 179 V HN 0.369 nan 8.190 nan 0.000 0.467 180 E N 0.505 120.776 120.200 0.119 0.000 2.106 180 E HA -0.154 4.197 4.350 0.001 0.000 0.192 180 E C 2.366 178.985 176.600 0.032 0.000 0.984 180 E CA 1.397 57.863 56.400 0.110 0.000 0.806 180 E CB -0.369 29.389 29.700 0.096 0.000 0.750 180 E HN 0.650 nan 8.360 nan 0.000 0.458 181 Q N 0.401 120.215 119.800 0.022 0.000 2.061 181 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 181 Q C 2.380 178.376 176.000 -0.006 0.000 0.984 181 Q CA 0.784 56.589 55.803 0.004 0.000 0.846 181 Q CB -0.786 27.953 28.738 0.002 0.000 0.902 181 Q HN 0.224 nan 8.270 nan 0.000 0.421 182 L N 0.921 122.144 121.223 0.000 0.000 2.131 182 L HA -0.176 4.164 4.340 0.001 0.000 0.210 182 L C 2.474 179.340 176.870 -0.007 0.000 1.092 182 L CA 1.715 56.560 54.840 0.008 0.000 0.759 182 L CB -0.324 41.749 42.059 0.023 0.000 0.903 182 L HN 0.107 nan 8.230 nan 0.000 0.435 183 R N -0.672 119.774 120.500 -0.089 0.000 2.062 183 R HA -0.174 4.166 4.340 0.001 0.000 0.229 183 R C 2.326 178.524 176.300 -0.170 0.000 1.128 183 R CA 1.897 57.841 56.100 -0.260 0.000 0.960 183 R CB -0.646 29.288 30.300 -0.609 0.000 0.855 183 R HN 0.538 nan 8.270 nan 0.000 0.432 184 Q N 0.122 119.860 119.800 -0.102 0.000 2.077 184 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 184 Q C 2.021 177.994 176.000 -0.045 0.000 0.989 184 Q CA 2.428 58.194 55.803 -0.061 0.000 0.853 184 Q CB -0.163 28.556 28.738 -0.030 0.000 0.907 184 Q HN 0.527 nan 8.270 nan 0.000 0.418 185 I N -0.770 119.782 120.570 -0.030 0.000 2.394 185 I HA -0.199 3.971 4.170 0.001 0.000 0.251 185 I C 2.130 178.239 176.117 -0.012 0.000 1.136 185 I CA 1.303 62.595 61.300 -0.013 0.000 1.425 185 I CB -0.007 37.993 38.000 0.000 0.000 1.079 185 I HN 0.264 nan 8.210 nan 0.000 0.425 186 T N -1.504 113.043 114.554 -0.012 0.000 2.969 186 T HA 0.233 4.584 4.350 0.001 0.000 0.250 186 T C 1.240 175.926 174.700 -0.023 0.000 1.021 186 T CA 0.795 62.906 62.100 0.019 0.000 1.003 186 T CB 0.420 69.361 68.868 0.122 0.000 1.040 186 T HN 0.541 nan 8.240 nan 0.000 0.492 187 G N 1.509 110.256 108.800 -0.088 0.000 2.176 187 G HA2 -0.195 3.766 3.960 0.001 0.000 0.253 187 G HA3 -0.195 3.766 3.960 0.001 0.000 0.253 187 G C 0.030 174.799 174.900 -0.218 0.000 0.979 187 G CA 0.093 45.115 45.100 -0.130 0.000 0.641 187 G HN 0.531 nan 8.290 nan 0.000 0.530 188 N N -0.959 117.571 118.700 -0.284 0.000 2.469 188 N HA 0.702 5.443 4.740 0.001 0.000 0.286 188 N C -1.466 173.650 175.510 -0.657 0.000 1.275 188 N CA -0.456 52.309 53.050 -0.474 0.000 0.790 188 N CB 1.164 39.269 38.487 -0.635 0.000 1.446 188 N HN 0.054 nan 8.380 nan 0.000 0.501 189 Y N 0.303 120.357 120.300 -0.411 0.000 2.364 189 Y HA 0.409 4.960 4.550 0.001 0.000 0.340 189 Y C -0.715 174.932 175.900 -0.421 0.000 0.975 189 Y CA -0.546 57.392 58.100 -0.271 0.000 1.089 189 Y CB 1.035 39.414 38.460 -0.135 0.000 1.192 189 Y HN 0.343 nan 8.280 nan 0.000 0.454 190 Y N 4.077 124.452 120.300 0.125 0.000 2.331 190 Y HA 0.335 4.885 4.550 0.001 0.000 0.338 190 Y C -1.716 174.208 175.900 0.039 0.000 0.992 190 Y CA -2.364 55.770 58.100 0.057 0.000 1.121 190 Y CB 1.263 39.733 38.460 0.016 0.000 1.184 190 Y HN 0.473 nan 8.280 nan 0.000 0.469 191 P HA -0.104 nan 4.420 nan 0.000 0.219 191 P C -0.622 176.722 177.300 0.072 0.000 1.150 191 P CA 1.163 64.309 63.100 0.076 0.000 0.814 191 P CB 0.438 32.167 31.700 0.049 0.000 0.787 192 E N -2.407 117.852 120.200 0.099 0.000 2.390 192 E HA 0.459 4.809 4.350 0.001 0.000 0.277 192 E C -0.742 175.888 176.600 0.050 0.000 0.939 192 E CA -0.830 55.604 56.400 0.057 0.000 0.769 192 E CB 1.047 30.775 29.700 0.046 0.000 1.251 192 E HN -0.141 nan 8.360 nan 0.000 0.450 193 L N 0.378 121.588 121.223 -0.021 0.000 2.644 193 L HA 0.839 5.180 4.340 0.001 0.000 0.213 193 L C -0.295 176.600 176.870 0.042 0.000 1.622 193 L CA -0.670 54.129 54.840 -0.068 0.000 2.969 193 L CB 0.555 42.413 42.059 -0.336 0.000 2.760 193 L HN 0.794 nan 8.230 nan 0.000 0.871 194 A N -0.161 122.703 122.820 0.075 0.000 2.498 194 A HA 0.645 4.965 4.320 0.001 0.000 0.305 194 A C -1.031 176.676 177.584 0.206 0.000 1.031 194 A CA -0.083 52.043 52.037 0.149 0.000 0.998 194 A CB 0.211 19.326 19.000 0.192 0.000 1.429 194 A HN 0.447 nan 8.150 nan 0.000 0.387 195 A N 1.322 124.232 122.820 0.151 0.000 2.242 195 A HA 0.775 5.096 4.320 0.001 0.000 0.304 195 A C 0.108 177.819 177.584 0.212 0.000 1.100 195 A CA -0.531 51.624 52.037 0.196 0.000 0.860 195 A CB 0.340 19.419 19.000 0.132 0.000 1.168 195 A HN 1.999 nan 8.150 nan 0.000 0.503 196 L N 1.350 122.718 121.223 0.242 0.000 2.530 196 L HA 0.112 4.453 4.340 0.001 0.000 0.273 196 L C 0.390 177.294 176.870 0.056 0.000 1.141 196 L CA -0.028 54.902 54.840 0.150 0.000 0.905 196 L CB -0.714 41.359 42.059 0.023 0.000 1.202 196 L HN 0.685 nan 8.230 nan 0.000 0.473 197 N N 3.909 122.668 118.700 0.098 0.000 2.394 197 N HA -0.066 4.674 4.740 0.001 0.000 0.277 197 N C 0.998 176.542 175.510 0.056 0.000 1.346 197 N CA 0.498 53.595 53.050 0.079 0.000 0.910 197 N CB 0.689 39.235 38.487 0.100 0.000 1.201 197 N HN 0.521 nan 8.380 nan 0.000 0.488 198 V N 2.534 122.453 119.914 0.009 0.000 2.453 198 V HA -0.141 3.980 4.120 0.001 0.000 0.247 198 V C 2.132 178.240 176.094 0.022 0.000 1.048 198 V CA 1.588 63.864 62.300 -0.040 0.000 1.049 198 V CB -0.703 31.088 31.823 -0.055 0.000 0.672 198 V HN 0.714 nan 8.190 nan 0.000 0.457 199 E N 1.261 121.487 120.200 0.044 0.000 2.076 199 E HA -0.142 4.208 4.350 0.001 0.000 0.190 199 E C 0.702 177.351 176.600 0.082 0.000 0.979 199 E CA 0.893 57.324 56.400 0.052 0.000 0.807 199 E CB -0.763 28.957 29.700 0.033 0.000 0.761 199 E HN 0.536 nan 8.360 nan 0.000 0.454 200 N N 0.666 119.420 118.700 0.091 0.000 3.167 200 N HA 0.134 4.875 4.740 0.001 0.000 0.318 200 N C -1.613 173.990 175.510 0.155 0.000 1.268 200 N CA 0.122 53.227 53.050 0.092 0.000 1.197 200 N CB -0.862 37.669 38.487 0.075 0.000 1.464 200 N HN 0.104 nan 8.380 nan 0.000 0.555 201 F N 0.235 120.167 119.950 -0.030 0.000 2.585 201 F HA 0.419 4.946 4.527 0.001 0.000 0.319 201 F C -0.845 174.908 175.800 -0.078 0.000 1.165 201 F CA -0.819 57.151 58.000 -0.049 0.000 0.949 201 F CB 1.208 40.167 39.000 -0.067 0.000 1.218 201 F HN -0.201 nan 8.300 nan 0.000 0.453 202 K N 3.130 123.165 120.400 -0.609 0.000 2.469 202 K HA 0.480 4.801 4.320 0.001 0.000 0.254 202 K C -0.859 175.287 176.600 -0.757 0.000 0.939 202 K CA -1.139 54.853 56.287 -0.492 0.000 0.812 202 K CB 2.267 34.622 32.500 -0.241 0.000 1.301 202 K HN 0.617 nan 8.250 nan 0.000 0.433 203 T N -1.237 112.954 114.554 -0.604 0.000 2.889 203 T HA 0.281 4.631 4.350 0.001 0.000 0.291 203 T C -0.349 174.217 174.700 -0.225 0.000 0.995 203 T CA -0.742 60.984 62.100 -0.624 0.000 1.092 203 T CB 0.687 69.160 68.868 -0.659 0.000 0.954 203 T HN 0.278 nan 8.240 nan 0.000 0.506 204 D N 2.015 122.413 120.400 -0.004 0.000 2.256 204 D HA 0.280 4.921 4.640 0.001 0.000 0.240 204 D C 0.107 176.459 176.300 0.087 0.000 1.062 204 D CA -0.531 53.489 54.000 0.032 0.000 0.832 204 D CB 1.732 42.554 40.800 0.037 0.000 1.135 204 D HN 0.610 nan 8.370 nan 0.000 0.484 205 K N 2.649 123.072 120.400 0.038 0.000 2.440 205 K HA 0.109 4.429 4.320 0.001 0.000 0.270 205 K C -2.131 174.508 176.600 0.065 0.000 0.980 205 K CA -0.781 55.532 56.287 0.043 0.000 0.953 205 K CB 0.365 32.880 32.500 0.026 0.000 0.925 205 K HN 0.226 nan 8.250 nan 0.000 0.497 206 P HA 0.111 nan 4.420 nan 0.000 0.282 206 P C -1.066 176.345 177.300 0.185 0.000 1.259 206 P CA -0.573 62.603 63.100 0.127 0.000 0.826 206 P CB 0.901 32.688 31.700 0.145 0.000 1.064 207 Q N 0.992 120.883 119.800 0.151 0.000 2.479 207 Q HA 0.158 4.499 4.340 0.001 0.000 0.267 207 Q C -1.911 174.168 176.000 0.132 0.000 1.071 207 Q CA -1.140 54.729 55.803 0.109 0.000 0.935 207 Q CB -1.113 27.659 28.738 0.056 0.000 1.295 207 Q HN 0.382 nan 8.270 nan 0.000 0.476 208 P HA -0.074 nan 4.420 nan 0.000 0.268 208 P C 0.812 177.929 177.300 -0.304 0.000 1.208 208 P CA 0.054 63.111 63.100 -0.072 0.000 0.777 208 P CB 0.509 32.174 31.700 -0.058 0.000 0.875 209 V N 2.677 122.159 119.914 -0.720 0.000 2.427 209 V HA -0.212 3.909 4.120 0.001 0.000 0.248 209 V C 1.708 177.591 176.094 -0.351 0.000 1.051 209 V CA 1.835 63.637 62.300 -0.830 0.000 1.048 209 V CB -0.875 30.214 31.823 -1.223 0.000 0.666 209 V HN 0.480 nan 8.190 nan 0.000 0.456 210 N N 0.418 118.971 118.700 -0.246 0.000 2.309 210 N HA -0.095 4.646 4.740 0.001 0.000 0.182 210 N C 1.802 177.254 175.510 -0.097 0.000 1.018 210 N CA 1.341 54.308 53.050 -0.139 0.000 0.876 210 N CB -0.100 38.325 38.487 -0.102 0.000 0.972 210 N HN 0.581 nan 8.380 nan 0.000 0.434 211 A N 1.714 124.476 122.820 -0.096 0.000 1.874 211 A HA 0.020 4.340 4.320 0.001 0.000 0.214 211 A C 2.360 179.915 177.584 -0.048 0.000 1.189 211 A CA 0.546 52.549 52.037 -0.056 0.000 0.615 211 A CB -0.613 18.363 19.000 -0.040 0.000 0.830 211 A HN 0.092 nan 8.150 nan 0.000 0.443 212 L N -0.929 120.256 121.223 -0.064 0.000 2.012 212 L HA -0.201 4.140 4.340 0.001 0.000 0.210 212 L C 2.548 179.398 176.870 -0.034 0.000 1.073 212 L CA 1.194 56.011 54.840 -0.039 0.000 0.748 212 L CB -0.631 41.406 42.059 -0.038 0.000 0.891 212 L HN 0.406 nan 8.230 nan 0.000 0.431 213 L N 0.054 121.243 121.223 -0.057 0.000 2.012 213 L HA -0.245 4.095 4.340 0.001 0.000 0.210 213 L C 2.551 179.414 176.870 -0.012 0.000 1.073 213 L CA 1.882 56.702 54.840 -0.034 0.000 0.748 213 L CB -0.552 41.477 42.059 -0.051 0.000 0.891 213 L HN 0.118 nan 8.230 nan 0.000 0.431 214 K N -0.973 119.415 120.400 -0.020 0.000 2.097 214 K HA -0.221 4.099 4.320 0.001 0.000 0.205 214 K C 2.028 178.629 176.600 0.002 0.000 1.050 214 K CA 1.407 57.690 56.287 -0.007 0.000 0.938 214 K CB -0.026 32.465 32.500 -0.014 0.000 0.718 214 K HN 0.312 nan 8.250 nan 0.000 0.442 215 E N 1.005 121.203 120.200 -0.003 0.000 2.106 215 E HA -0.114 4.237 4.350 0.001 0.000 0.192 215 E C 1.698 178.302 176.600 0.006 0.000 0.984 215 E CA 1.313 57.713 56.400 0.001 0.000 0.806 215 E CB -0.069 29.630 29.700 -0.002 0.000 0.750 215 E HN 0.259 nan 8.360 nan 0.000 0.458 216 A N 0.680 123.503 122.820 0.006 0.000 1.930 216 A HA -0.176 4.145 4.320 0.001 0.000 0.217 216 A C 2.003 179.597 177.584 0.016 0.000 1.175 216 A CA 1.603 53.645 52.037 0.009 0.000 0.627 216 A CB -0.586 18.419 19.000 0.009 0.000 0.815 216 A HN 0.347 nan 8.150 nan 0.000 0.443 217 E N -0.395 119.826 120.200 0.035 0.000 2.333 217 E HA -0.147 4.203 4.350 0.001 0.000 0.198 217 E C 1.480 178.109 176.600 0.047 0.000 1.007 217 E CA 0.911 57.351 56.400 0.066 0.000 0.845 217 E CB 0.090 29.851 29.700 0.102 0.000 0.766 217 E HN 0.402 nan 8.360 nan 0.000 0.507 218 K N -0.229 120.187 120.400 0.028 0.000 2.308 218 K HA 0.125 4.445 4.320 0.001 0.000 0.197 218 K C 1.447 178.055 176.600 0.013 0.000 1.049 218 K CA 0.507 56.808 56.287 0.023 0.000 0.991 218 K CB 0.486 32.997 32.500 0.019 0.000 0.836 218 K HN 0.048 nan 8.250 nan 0.000 0.500 219 R N 0.292 120.797 120.500 0.008 0.000 2.544 219 R HA 0.105 4.445 4.340 0.001 0.000 0.303 219 R C 0.040 176.339 176.300 -0.003 0.000 0.939 219 R CA -0.308 55.794 56.100 0.004 0.000 1.102 219 R CB 0.191 30.494 30.300 0.005 0.000 1.440 219 R HN -0.008 nan 8.270 nan 0.000 0.532 220 N N 2.180 120.875 118.700 -0.008 0.000 2.434 220 N HA -0.019 4.722 4.740 0.001 0.000 0.268 220 N C 1.060 176.558 175.510 -0.019 0.000 1.256 220 N CA 0.142 53.183 53.050 -0.014 0.000 0.914 220 N CB 0.589 39.066 38.487 -0.018 0.000 1.088 220 N HN 0.090 nan 8.380 nan 0.000 0.478 221 L N 2.192 123.407 121.223 -0.013 0.000 2.129 221 L HA -0.216 4.125 4.340 0.001 0.000 0.212 221 L C 2.175 179.035 176.870 -0.016 0.000 1.087 221 L CA 1.014 55.848 54.840 -0.009 0.000 0.757 221 L CB -0.469 41.587 42.059 -0.005 0.000 0.896 221 L HN 0.521 nan 8.230 nan 0.000 0.434 222 S N -0.043 115.643 115.700 -0.023 0.000 2.368 222 S HA -0.169 4.301 4.470 0.001 0.000 0.225 222 S C 1.874 176.444 174.600 -0.049 0.000 1.030 222 S CA 1.303 59.486 58.200 -0.029 0.000 0.999 222 S CB -0.280 62.903 63.200 -0.028 0.000 0.844 222 S HN 0.245 nan 8.310 nan 0.000 0.459 223 L N 1.429 122.611 121.223 -0.069 0.000 2.072 223 L HA 0.070 4.410 4.340 0.001 0.000 0.205 223 L C 2.030 178.849 176.870 -0.086 0.000 1.079 223 L CA 1.189 55.957 54.840 -0.120 0.000 0.752 223 L CB -0.615 41.348 42.059 -0.160 0.000 0.906 223 L HN 0.299 nan 8.230 nan 0.000 0.436 224 L N -0.443 120.752 121.223 -0.045 0.000 2.131 224 L HA -0.232 4.109 4.340 0.001 0.000 0.210 224 L C 2.422 179.286 176.870 -0.010 0.000 1.092 224 L CA 2.203 57.032 54.840 -0.019 0.000 0.759 224 L CB -0.863 41.195 42.059 -0.001 0.000 0.903 224 L HN 0.582 nan 8.230 nan 0.000 0.435 225 Q N -0.666 119.127 119.800 -0.012 0.000 2.123 225 Q HA -0.075 4.265 4.340 0.001 0.000 0.199 225 Q C 2.106 178.099 176.000 -0.012 0.000 0.966 225 Q CA 1.418 57.219 55.803 -0.003 0.000 0.845 225 Q CB -0.205 28.534 28.738 0.001 0.000 0.907 225 Q HN 0.596 nan 8.270 nan 0.000 0.439 226 A N 0.765 123.565 122.820 -0.033 0.000 2.015 226 A HA -0.131 4.189 4.320 0.001 0.000 0.219 226 A C 2.019 179.587 177.584 -0.027 0.000 1.163 226 A CA 1.154 53.168 52.037 -0.039 0.000 0.646 226 A CB -0.316 18.640 19.000 -0.072 0.000 0.806 226 A HN 0.334 nan 8.150 nan 0.000 0.448 227 R N -0.665 119.822 120.500 -0.023 0.000 2.062 227 R HA 0.104 4.444 4.340 0.001 0.000 0.226 227 R C 2.028 178.345 176.300 0.028 0.000 1.125 227 R CA 1.062 57.164 56.100 0.004 0.000 0.966 227 R CB -0.521 29.781 30.300 0.003 0.000 0.861 227 R HN 0.477 nan 8.270 nan 0.000 0.433 228 L N 0.496 121.732 121.223 0.022 0.000 2.081 228 L HA -0.221 4.119 4.340 0.001 0.000 0.212 228 L C 2.349 179.241 176.870 0.036 0.000 1.080 228 L CA 1.268 56.126 54.840 0.030 0.000 0.754 228 L CB -0.421 41.652 42.059 0.024 0.000 0.893 228 L HN 0.174 nan 8.230 nan 0.000 0.433 229 S N -1.048 114.669 115.700 0.028 0.000 2.387 229 S HA -0.213 4.258 4.470 0.001 0.000 0.226 229 S C 1.893 176.531 174.600 0.063 0.000 1.026 229 S CA 0.998 59.218 58.200 0.034 0.000 0.972 229 S CB -0.073 63.136 63.200 0.016 0.000 0.814 229 S HN 0.425 nan 8.310 nan 0.000 0.477 230 Q N 0.989 120.826 119.800 0.062 0.000 2.084 230 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 230 Q C 1.733 177.890 176.000 0.262 0.000 0.978 230 Q CA 1.812 57.687 55.803 0.120 0.000 0.844 230 Q CB -0.213 28.550 28.738 0.042 0.000 0.898 230 Q HN 0.456 nan 8.270 nan 0.000 0.426 231 D N -0.093 120.403 120.400 0.160 0.000 2.104 231 D HA -0.209 4.431 4.640 0.001 0.000 0.194 231 D C 1.866 178.224 176.300 0.096 0.000 0.994 231 D CA 1.100 55.176 54.000 0.126 0.000 0.830 231 D CB -0.186 40.659 40.800 0.075 0.000 0.959 231 D HN 0.296 nan 8.370 nan 0.000 0.452 232 L N 0.158 121.429 121.223 0.080 0.000 2.079 232 L HA -0.051 4.289 4.340 0.001 0.000 0.210 232 L C 2.173 179.090 176.870 0.078 0.000 1.081 232 L CA 1.989 56.863 54.840 0.057 0.000 0.752 232 L CB -0.629 41.454 42.059 0.039 0.000 0.896 232 L HN 0.113 nan 8.230 nan 0.000 0.433 233 A N -0.905 122.005 122.820 0.151 0.000 2.067 233 A HA -0.181 4.139 4.320 0.001 0.000 0.219 233 A C 2.492 180.152 177.584 0.127 0.000 1.158 233 A CA 1.478 53.632 52.037 0.194 0.000 0.661 233 A CB -0.568 18.622 19.000 0.318 0.000 0.801 233 A HN 0.493 nan 8.150 nan 0.000 0.452 234 R N -0.567 119.955 120.500 0.038 0.000 2.080 234 R HA -0.067 4.273 4.340 0.001 0.000 0.222 234 R C 1.923 178.136 176.300 -0.146 0.000 1.107 234 R CA 1.412 57.347 56.100 -0.275 0.000 0.980 234 R CB -0.163 29.910 30.300 -0.380 0.000 0.879 234 R HN 0.403 nan 8.270 nan 0.000 0.439 235 E N 0.948 121.114 120.200 -0.057 0.000 2.204 235 E HA -0.170 4.180 4.350 0.001 0.000 0.195 235 E C 1.747 178.330 176.600 -0.029 0.000 0.990 235 E CA 1.380 57.759 56.400 -0.035 0.000 0.821 235 E CB 0.088 29.782 29.700 -0.009 0.000 0.750 235 E HN 0.389 nan 8.360 nan 0.000 0.477 236 Q N -0.602 119.188 119.800 -0.017 0.000 2.297 236 Q HA -0.010 4.330 4.340 0.001 0.000 0.204 236 Q C 1.992 177.978 176.000 -0.024 0.000 0.962 236 Q CA 0.820 56.618 55.803 -0.009 0.000 0.879 236 Q CB 0.081 28.828 28.738 0.016 0.000 0.947 236 Q HN 0.410 nan 8.270 nan 0.000 0.462 237 I N 0.105 120.644 120.570 -0.052 0.000 2.286 237 I HA -0.243 3.928 4.170 0.001 0.000 0.245 237 I C 2.122 178.206 176.117 -0.056 0.000 1.104 237 I CA 0.997 62.256 61.300 -0.068 0.000 1.397 237 I CB -0.204 37.716 38.000 -0.133 0.000 1.072 237 I HN 0.143 nan 8.210 nan 0.000 0.417 238 R N 0.443 120.908 120.500 -0.058 0.000 2.096 238 R HA -0.220 4.120 4.340 0.001 0.000 0.235 238 R C 2.290 178.577 176.300 -0.022 0.000 1.127 238 R CA 1.298 57.377 56.100 -0.036 0.000 0.968 238 R CB -0.398 29.882 30.300 -0.034 0.000 0.861 238 R HN 0.469 nan 8.270 nan 0.000 0.440 239 Q N 0.595 120.380 119.800 -0.025 0.000 2.050 239 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 239 Q C 2.089 178.067 176.000 -0.037 0.000 0.980 239 Q CA 1.702 57.489 55.803 -0.026 0.000 0.840 239 Q CB -0.080 28.644 28.738 -0.023 0.000 0.898 239 Q HN 0.384 nan 8.270 nan 0.000 0.424 240 A N 0.647 123.445 122.820 -0.037 0.000 1.940 240 A HA -0.237 4.084 4.320 0.001 0.000 0.219 240 A C 1.871 179.422 177.584 -0.056 0.000 1.176 240 A CA 1.673 53.680 52.037 -0.049 0.000 0.631 240 A CB -0.521 18.456 19.000 -0.038 0.000 0.814 240 A HN 0.532 nan 8.150 nan 0.000 0.446 241 Q N -0.659 119.132 119.800 -0.014 0.000 2.369 241 Q HA -0.116 4.225 4.340 0.001 0.000 0.206 241 Q C 0.825 176.856 176.000 0.053 0.000 0.963 241 Q CA 0.923 56.758 55.803 0.054 0.000 0.894 241 Q CB -0.048 28.727 28.738 0.062 0.000 0.965 241 Q HN 0.553 nan 8.270 nan 0.000 0.475 242 D N -0.172 120.223 120.400 -0.009 0.000 2.312 242 D HA -0.062 4.578 4.640 0.001 0.000 0.211 242 D C 1.581 177.847 176.300 -0.057 0.000 0.964 242 D CA 0.758 54.747 54.000 -0.019 0.000 0.877 242 D CB -0.214 40.563 40.800 -0.037 0.000 0.924 242 D HN 0.340 nan 8.370 nan 0.000 0.515 243 G N -0.942 107.783 108.800 -0.126 0.000 2.882 243 G HA2 -0.157 3.803 3.960 0.001 0.000 0.206 243 G HA3 -0.157 3.803 3.960 0.001 0.000 0.206 243 G C 0.989 175.746 174.900 -0.238 0.000 1.155 243 G CA 0.199 45.185 45.100 -0.190 0.000 0.800 243 G HN 0.390 nan 8.290 nan 0.000 0.524 244 H N -1.088 117.965 119.070 -0.028 0.000 2.582 244 H HA 0.326 4.883 4.556 0.001 0.000 0.269 244 H C 1.009 176.335 175.328 -0.004 0.000 0.962 244 H CA -0.425 55.615 56.048 -0.012 0.000 1.230 244 H CB 0.463 30.226 29.762 0.002 0.000 1.445 244 H HN 0.167 nan 8.280 nan 0.000 0.528 245 L N 2.423 123.703 121.223 0.096 0.000 2.436 245 L HA 0.251 4.592 4.340 0.001 0.000 0.265 245 L C -2.050 174.824 176.870 0.007 0.000 1.168 245 L CA -2.129 52.759 54.840 0.080 0.000 0.815 245 L CB 0.421 42.523 42.059 0.071 0.000 1.109 245 L HN 0.030 nan 8.230 nan 0.000 0.462 246 P HA 0.293 nan 4.420 nan 0.000 0.282 246 P C -1.104 176.134 177.300 -0.103 0.000 1.259 246 P CA -0.508 62.510 63.100 -0.137 0.000 0.826 246 P CB 1.261 32.840 31.700 -0.200 0.000 1.064 247 T N -0.970 113.449 114.554 -0.224 0.000 2.848 247 T HA 0.608 4.958 4.350 0.001 0.000 0.285 247 T C -0.838 173.833 174.700 -0.049 0.000 0.995 247 T CA -0.752 61.273 62.100 -0.124 0.000 0.970 247 T CB 0.816 69.599 68.868 -0.143 0.000 0.976 247 T HN 0.208 nan 8.240 nan 0.000 0.441 248 L N 2.729 124.025 121.223 0.121 0.000 2.316 248 L HA 0.633 4.973 4.340 0.001 0.000 0.280 248 L C -1.379 175.572 176.870 0.136 0.000 1.006 248 L CA -0.172 54.778 54.840 0.184 0.000 0.836 248 L CB 0.973 43.213 42.059 0.301 0.000 1.221 248 L HN 0.777 nan 8.230 nan 0.000 0.418 249 D N 3.640 124.095 120.400 0.092 0.000 2.340 249 D HA 0.598 5.238 4.640 0.001 0.000 0.243 249 D C -0.937 175.405 176.300 0.070 0.000 0.988 249 D CA -0.360 53.681 54.000 0.068 0.000 0.959 249 D CB 2.150 42.970 40.800 0.032 0.000 1.226 249 D HN 0.494 nan 8.370 nan 0.000 0.509 250 L N 0.478 121.735 121.223 0.056 0.000 2.342 250 L HA 0.764 5.104 4.340 0.001 0.000 0.271 250 L C -0.915 175.975 176.870 0.033 0.000 1.008 250 L CA -0.267 54.602 54.840 0.048 0.000 0.818 250 L CB 1.568 43.656 42.059 0.049 0.000 1.296 250 L HN 0.668 nan 8.230 nan 0.000 0.427 251 T N 1.323 115.894 114.554 0.029 0.000 2.906 251 T HA 0.897 5.247 4.350 0.001 0.000 0.295 251 T C -0.820 173.891 174.700 0.018 0.000 1.061 251 T CA -0.521 61.591 62.100 0.020 0.000 1.000 251 T CB 1.924 70.802 68.868 0.017 0.000 1.103 251 T HN 0.947 nan 8.240 nan 0.000 0.486 252 A N 1.662 124.490 122.820 0.013 0.000 2.456 252 A HA 0.747 5.068 4.320 0.001 0.000 0.288 252 A C -0.278 177.311 177.584 0.009 0.000 1.042 252 A CA -0.852 51.192 52.037 0.012 0.000 0.738 252 A CB 1.113 20.120 19.000 0.013 0.000 1.266 252 A HN 1.152 nan 8.150 nan 0.000 0.407 253 S N 0.443 116.148 115.700 0.008 0.000 2.726 253 S HA 0.882 5.352 4.470 0.001 0.000 0.308 253 S C -0.205 174.398 174.600 0.006 0.000 1.115 253 S CA -0.783 57.421 58.200 0.006 0.000 0.965 253 S CB 1.935 65.138 63.200 0.005 0.000 1.145 253 S HN 1.083 nan 8.310 nan 0.000 0.532 254 T N 0.688 115.245 114.554 0.005 0.000 3.160 254 T HA 0.560 4.910 4.350 0.001 0.000 0.344 254 T C -0.004 174.699 174.700 0.005 0.000 0.981 254 T CA -0.355 61.748 62.100 0.005 0.000 1.170 254 T CB -0.417 68.454 68.868 0.005 0.000 1.016 254 T HN 0.901 nan 8.240 nan 0.000 0.492 255 G N 2.583 111.385 108.800 0.004 0.000 2.511 255 G HA2 0.810 4.770 3.960 0.001 0.000 0.316 255 G HA3 0.810 4.770 3.960 0.001 0.000 0.316 255 G C -0.923 173.980 174.900 0.004 0.000 1.210 255 G CA -0.628 44.474 45.100 0.004 0.000 0.969 255 G HN 0.722 nan 8.290 nan 0.000 0.492 256 I N 0.307 120.879 120.570 0.004 0.000 2.599 256 I HA 0.221 4.391 4.170 0.001 0.000 0.285 256 I C -0.538 175.580 176.117 0.003 0.000 1.168 256 I CA -0.385 60.919 61.300 0.005 0.000 1.060 256 I CB 2.216 40.220 38.000 0.008 0.000 1.249 256 I HN 0.491 nan 8.210 nan 0.000 0.442 257 S N 4.096 119.796 115.700 -0.000 0.000 2.454 257 S HA 0.546 5.016 4.470 0.001 0.000 0.306 257 S C -1.058 173.538 174.600 -0.008 0.000 1.100 257 S CA -0.405 57.791 58.200 -0.008 0.000 1.087 257 S CB 1.113 64.306 63.200 -0.011 0.000 1.019 257 S HN 0.517 nan 8.310 nan 0.000 0.480 258 D N 2.899 123.289 120.400 -0.016 0.000 2.443 258 D HA 0.304 4.944 4.640 0.001 0.000 0.281 258 D C -0.629 175.641 176.300 -0.050 0.000 1.210 258 D CA -0.138 53.853 54.000 -0.015 0.000 0.875 258 D CB 1.202 42.005 40.800 0.006 0.000 1.125 258 D HN 0.447 nan 8.370 nan 0.000 0.503 259 T N 0.151 114.656 114.554 -0.082 0.000 2.904 259 T HA 0.612 4.962 4.350 0.001 0.000 0.290 259 T C 0.238 174.811 174.700 -0.211 0.000 1.018 259 T CA -0.670 61.310 62.100 -0.201 0.000 1.075 259 T CB 1.302 70.013 68.868 -0.261 0.000 0.986 259 T HN 0.201 nan 8.240 nan 0.000 0.523 260 S N 0.991 116.470 115.700 -0.369 0.000 2.562 260 S HA 0.556 5.026 4.470 0.001 0.000 0.274 260 S C -1.674 172.747 174.600 -0.298 0.000 1.160 260 S CA -0.957 57.122 58.200 -0.203 0.000 0.933 260 S CB 0.597 63.776 63.200 -0.035 0.000 1.100 260 S HN 0.538 nan 8.310 nan 0.000 0.468 261 Y N 1.976 122.328 120.300 0.087 0.000 2.519 261 Y HA 0.849 5.400 4.550 0.001 0.000 0.324 261 Y C 1.237 177.191 175.900 0.089 0.000 1.214 261 Y CA 0.147 58.312 58.100 0.108 0.000 1.260 261 Y CB 1.875 40.453 38.460 0.196 0.000 1.311 261 Y HN 1.126 nan 8.280 nan 0.000 0.505 262 S N -1.035 114.807 115.700 0.238 0.000 2.815 262 S HA 0.829 5.299 4.470 0.001 0.000 0.296 262 S C -0.139 174.514 174.600 0.088 0.000 1.224 262 S CA -0.375 57.908 58.200 0.139 0.000 0.938 262 S CB 1.021 64.298 63.200 0.128 0.000 1.285 262 S HN 1.877 nan 8.310 nan 0.000 0.549 263 G N 0.885 109.724 108.800 0.065 0.000 2.615 263 G HA2 -0.008 3.952 3.960 0.001 0.000 0.218 263 G HA3 -0.008 3.952 3.960 0.001 0.000 0.218 263 G C 0.724 175.621 174.900 -0.005 0.000 1.339 263 G CA 0.774 45.893 45.100 0.032 0.000 0.884 263 G HN 2.088 nan 8.290 nan 0.000 0.559 264 S N -0.571 115.113 115.700 -0.025 0.000 2.398 264 S HA 0.120 4.590 4.470 0.001 0.000 0.220 264 S C 1.648 176.196 174.600 -0.086 0.000 1.046 264 S CA 1.459 59.636 58.200 -0.039 0.000 0.953 264 S CB -0.100 63.086 63.200 -0.024 0.000 0.856 264 S HN 0.723 nan 8.310 nan 0.000 0.506 265 K N 1.369 121.692 120.400 -0.129 0.000 2.773 265 K HA 0.071 4.391 4.320 0.001 0.000 0.222 265 K C 0.815 177.185 176.600 -0.383 0.000 0.985 265 K CA 0.697 56.858 56.287 -0.210 0.000 1.126 265 K CB -0.337 32.040 32.500 -0.205 0.000 0.919 265 K HN 0.475 nan 8.250 nan 0.000 0.487 266 T N -0.730 113.657 114.554 -0.278 0.000 3.043 266 T HA 0.093 4.443 4.350 0.001 0.000 0.272 266 T C 0.625 175.266 174.700 -0.098 0.000 0.990 266 T CA -0.255 61.679 62.100 -0.276 0.000 0.897 266 T CB 0.208 68.990 68.868 -0.143 0.000 1.111 266 T HN 0.088 nan 8.240 nan 0.000 0.529 267 R N 0.559 121.013 120.500 -0.077 0.000 4.141 267 R HA 0.452 4.792 4.340 0.001 0.000 0.281 267 R C 0.897 177.182 176.300 -0.024 0.000 1.608 267 R CA 0.561 56.643 56.100 -0.030 0.000 1.426 267 R CB -0.547 29.740 30.300 -0.023 0.000 1.432 267 R HN 0.377 nan 8.270 nan 0.000 0.708 268 G N -1.074 107.714 108.800 -0.021 0.000 2.456 268 G HA2 -0.190 3.771 3.960 0.001 0.000 0.208 268 G HA3 -0.190 3.771 3.960 0.001 0.000 0.208 268 G C 0.701 175.598 174.900 -0.005 0.000 1.004 268 G CA -0.070 45.026 45.100 -0.007 0.000 0.791 268 G HN 0.383 nan 8.290 nan 0.000 0.537 269 A N 0.700 123.513 122.820 -0.012 0.000 1.986 269 A HA 0.393 4.714 4.320 0.001 0.000 0.220 269 A C 2.582 180.195 177.584 0.048 0.000 1.171 269 A CA 2.699 54.748 52.037 0.021 0.000 0.640 269 A CB -0.709 18.332 19.000 0.068 0.000 0.811 269 A HN 2.437 nan 8.150 nan 0.000 0.451 270 A N -2.579 120.270 122.820 0.047 0.000 2.771 270 A HA -0.105 4.216 4.320 0.001 0.000 0.294 270 A C 1.496 179.099 177.584 0.032 0.000 1.500 270 A CA 1.550 53.608 52.037 0.035 0.000 0.829 270 A CB -1.978 17.035 19.000 0.021 0.000 0.998 270 A HN 1.690 nan 8.150 nan 0.000 0.526 271 G N -2.209 106.620 108.800 0.047 0.000 3.337 271 G HA2 0.369 4.330 3.960 0.001 0.000 0.246 271 G HA3 0.369 4.330 3.960 0.001 0.000 0.246 271 G C 0.781 175.673 174.900 -0.013 0.000 1.131 271 G CA 1.134 46.244 45.100 0.016 0.000 0.773 271 G HN 1.668 nan 8.290 nan 0.000 0.544 272 T N -0.399 114.157 114.554 0.003 0.000 3.728 272 T HA -0.285 4.065 4.350 0.001 0.000 0.355 272 T C 1.687 176.337 174.700 -0.083 0.000 0.760 272 T CA 1.906 63.997 62.100 -0.016 0.000 1.841 272 T CB -1.020 67.842 68.868 -0.010 0.000 1.853 272 T HN 0.634 nan 8.240 nan 0.000 0.743 273 Q N -1.034 118.668 119.800 -0.165 0.000 2.107 273 Q HA 0.070 4.410 4.340 0.001 0.000 0.195 273 Q C 0.944 176.584 176.000 -0.599 0.000 0.964 273 Q CA 1.168 56.723 55.803 -0.414 0.000 0.833 273 Q CB 0.185 28.532 28.738 -0.652 0.000 0.910 273 Q HN 0.812 nan 8.270 nan 0.000 0.465 274 Y N 1.245 121.338 120.300 -0.346 0.000 2.550 274 Y HA 0.087 4.637 4.550 0.001 0.000 0.351 274 Y C -0.303 175.537 175.900 -0.099 0.000 1.160 274 Y CA -0.227 57.569 58.100 -0.507 0.000 1.337 274 Y CB -0.155 38.110 38.460 -0.325 0.000 1.196 274 Y HN -0.042 nan 8.280 nan 0.000 0.498 275 D N 0.471 120.889 120.400 0.030 0.000 2.177 275 D HA 0.093 4.733 4.640 0.001 0.000 0.247 275 D C -0.664 175.753 176.300 0.194 0.000 1.063 275 D CA -0.661 53.410 54.000 0.118 0.000 0.867 275 D CB 0.762 41.594 40.800 0.053 0.000 1.168 275 D HN 0.048 nan 8.370 nan 0.000 0.445 276 D N 0.889 121.399 120.400 0.184 0.000 2.662 276 D HA -0.037 4.603 4.640 0.001 0.000 0.237 276 D C -0.104 176.260 176.300 0.108 0.000 1.154 276 D CA 0.628 54.716 54.000 0.146 0.000 0.861 276 D CB 0.220 41.073 40.800 0.088 0.000 1.146 276 D HN -0.034 nan 8.370 nan 0.000 0.518 277 S N 2.428 118.195 115.700 0.111 0.000 2.541 277 S HA 0.378 4.848 4.470 0.001 0.000 0.283 277 S C -0.386 174.236 174.600 0.037 0.000 1.196 277 S CA -0.852 57.392 58.200 0.072 0.000 1.062 277 S CB 0.429 63.684 63.200 0.091 0.000 1.009 277 S HN 0.284 nan 8.310 nan 0.000 0.502 278 N N 4.384 123.099 118.700 0.026 0.000 2.750 278 N HA 0.234 4.975 4.740 0.001 0.000 0.253 278 N C -0.804 174.713 175.510 0.012 0.000 1.408 278 N CA -0.415 52.646 53.050 0.017 0.000 0.780 278 N CB 0.871 39.368 38.487 0.018 0.000 1.191 278 N HN 0.499 nan 8.380 nan 0.000 0.511 279 M N 0.187 119.793 119.600 0.009 0.000 2.114 279 M HA 0.515 4.996 4.480 0.001 0.000 0.293 279 M C 1.063 177.366 176.300 0.005 0.000 1.201 279 M CA -0.402 54.902 55.300 0.007 0.000 1.107 279 M CB 0.331 32.933 32.600 0.004 0.000 1.405 279 M HN 0.378 nan 8.290 nan 0.000 0.486 280 G N 1.296 110.098 108.800 0.005 0.000 2.269 280 G HA2 0.443 4.403 3.960 0.001 0.000 0.297 280 G HA3 0.443 4.403 3.960 0.001 0.000 0.297 280 G C -1.410 173.492 174.900 0.004 0.000 1.340 280 G CA -0.587 44.516 45.100 0.005 0.000 1.240 280 G HN 0.445 nan 8.290 nan 0.000 0.596 281 Q N 1.330 121.132 119.800 0.004 0.000 2.331 281 Q HA 0.380 4.720 4.340 0.001 0.000 0.267 281 Q C -0.809 175.193 176.000 0.004 0.000 1.006 281 Q CA -0.859 54.946 55.803 0.004 0.000 0.818 281 Q CB 2.412 31.151 28.738 0.003 0.000 1.276 281 Q HN 0.523 nan 8.270 nan 0.000 0.450 282 N N 2.287 120.990 118.700 0.005 0.000 2.426 282 N HA 0.279 5.019 4.740 0.001 0.000 0.257 282 N C -0.706 174.808 175.510 0.006 0.000 1.002 282 N CA -0.142 52.912 53.050 0.006 0.000 0.942 282 N CB 1.153 39.644 38.487 0.006 0.000 1.112 282 N HN 0.198 nan 8.380 nan 0.000 0.499 283 K N 0.382 120.787 120.400 0.007 0.000 2.267 283 K HA 0.751 5.071 4.320 0.001 0.000 0.246 283 K C -0.806 175.800 176.600 0.011 0.000 0.954 283 K CA -1.104 55.188 56.287 0.009 0.000 0.824 283 K CB 2.401 34.907 32.500 0.009 0.000 1.167 283 K HN 0.292 nan 8.250 nan 0.000 0.431 284 V N -2.224 117.697 119.914 0.013 0.000 2.851 284 V HA 0.926 5.047 4.120 0.001 0.000 0.307 284 V C -0.702 175.404 176.094 0.019 0.000 1.129 284 V CA -0.387 61.922 62.300 0.016 0.000 0.932 284 V CB 1.655 33.488 31.823 0.016 0.000 1.024 284 V HN 0.920 nan 8.190 nan 0.000 0.426 285 G N 3.318 112.132 108.800 0.024 0.000 2.677 285 G HA2 0.686 4.646 3.960 0.001 0.000 0.291 285 G HA3 0.686 4.646 3.960 0.001 0.000 0.291 285 G C -1.924 173.000 174.900 0.040 0.000 1.435 285 G CA -0.940 44.178 45.100 0.029 0.000 0.826 285 G HN 1.001 nan 8.290 nan 0.000 0.491 286 L N 1.102 122.355 121.223 0.050 0.000 2.376 286 L HA 0.526 4.866 4.340 0.001 0.000 0.275 286 L C 0.000 176.924 176.870 0.090 0.000 0.987 286 L CA -0.770 54.113 54.840 0.072 0.000 0.828 286 L CB 2.103 44.208 42.059 0.077 0.000 1.249 286 L HN 0.425 nan 8.230 nan 0.000 0.409 287 S N 2.749 118.507 115.700 0.096 0.000 2.480 287 S HA 0.568 5.039 4.470 0.001 0.000 0.286 287 S C -0.864 173.841 174.600 0.174 0.000 1.180 287 S CA -0.339 57.928 58.200 0.112 0.000 1.075 287 S CB 0.851 64.089 63.200 0.064 0.000 0.996 287 S HN 0.370 nan 8.310 nan 0.000 0.487 288 F N 3.299 123.272 119.950 0.038 0.000 2.482 288 F HA 0.679 5.206 4.527 0.001 0.000 0.331 288 F C -0.253 175.572 175.800 0.041 0.000 1.115 288 F CA -0.404 57.625 58.000 0.049 0.000 0.955 288 F CB 1.545 40.574 39.000 0.048 0.000 1.136 288 F HN 0.437 nan 8.300 nan 0.000 0.452 289 S N 7.233 122.574 115.700 -0.598 0.000 2.672 289 S HA 0.678 5.148 4.470 0.001 0.000 0.291 289 S C -2.092 172.170 174.600 -0.564 0.000 1.145 289 S CA -0.590 57.368 58.200 -0.402 0.000 1.013 289 S CB 1.082 64.172 63.200 -0.183 0.000 1.017 289 S HN 0.836 nan 8.310 nan 0.000 0.487 290 L N 6.628 127.641 121.223 -0.349 0.000 2.349 290 L HA 0.764 5.105 4.340 0.001 0.000 0.278 290 L C -2.581 174.262 176.870 -0.045 0.000 0.996 290 L CA -1.429 53.298 54.840 -0.188 0.000 0.825 290 L CB 1.436 43.481 42.059 -0.022 0.000 1.243 290 L HN 0.465 nan 8.230 nan 0.000 0.412 291 P HA 0.452 nan 4.420 nan 0.000 0.278 291 P C -0.047 177.286 177.300 0.056 0.000 1.238 291 P CA -0.204 62.895 63.100 -0.002 0.000 0.794 291 P CB 1.418 33.098 31.700 -0.033 0.000 0.955 292 I N -0.363 120.255 120.570 0.080 0.000 3.990 292 I HA 0.193 4.363 4.170 0.001 0.000 0.275 292 I C -0.486 175.757 176.117 0.210 0.000 1.157 292 I CA 0.119 61.498 61.300 0.131 0.000 1.338 292 I CB 0.455 38.526 38.000 0.119 0.000 1.588 292 I HN 0.220 nan 8.210 nan 0.000 0.441 293 Y N 1.605 121.927 120.300 0.037 0.000 2.323 293 Y HA 0.403 4.954 4.550 0.001 0.000 0.322 293 Y C -0.559 175.353 175.900 0.019 0.000 1.133 293 Y CA -0.678 57.442 58.100 0.034 0.000 1.093 293 Y CB 1.309 39.787 38.460 0.031 0.000 1.203 293 Y HN -0.032 nan 8.280 nan 0.000 0.427 294 Q N 4.386 123.777 119.800 -0.680 0.000 2.211 294 Q HA 0.317 4.658 4.340 0.001 0.000 0.301 294 Q C 0.895 176.538 176.000 -0.595 0.000 0.884 294 Q CA 0.307 55.822 55.803 -0.479 0.000 1.115 294 Q CB 0.750 29.333 28.738 -0.258 0.000 1.217 294 Q HN 1.176 nan 8.270 nan 0.000 0.451 295 G N -0.362 107.763 108.800 -1.124 0.000 2.148 295 G HA2 -0.309 3.651 3.960 0.001 0.000 0.254 295 G HA3 -0.309 3.651 3.960 0.001 0.000 0.254 295 G C 0.659 175.359 174.900 -0.333 0.000 0.981 295 G CA 0.105 44.886 45.100 -0.531 0.000 0.670 295 G HN 0.838 nan 8.290 nan 0.000 0.528 296 G N -0.613 107.895 108.800 -0.487 0.000 2.160 296 G HA2 -0.264 3.696 3.960 0.001 0.000 0.251 296 G HA3 -0.264 3.696 3.960 0.001 0.000 0.251 296 G C 1.129 175.967 174.900 -0.104 0.000 1.008 296 G CA 1.550 46.572 45.100 -0.130 0.000 0.724 296 G HN 1.749 nan 8.290 nan 0.000 0.514 297 M N -0.372 119.128 119.600 -0.166 0.000 2.296 297 M HA 0.004 4.484 4.480 0.001 0.000 0.265 297 M C 2.124 178.354 176.300 -0.116 0.000 1.064 297 M CA 2.320 57.549 55.300 -0.119 0.000 1.109 297 M CB -0.150 32.372 32.600 -0.130 0.000 1.396 297 M HN 0.170 nan 8.290 nan 0.000 0.430 298 V N 1.455 121.274 119.914 -0.158 0.000 2.453 298 V HA -0.199 3.921 4.120 0.001 0.000 0.247 298 V C 2.138 178.167 176.094 -0.108 0.000 1.048 298 V CA 1.642 63.808 62.300 -0.223 0.000 1.049 298 V CB -1.105 30.411 31.823 -0.512 0.000 0.672 298 V HN 0.532 nan 8.190 nan 0.000 0.457 299 N N 0.011 118.708 118.700 -0.005 0.000 2.171 299 N HA -0.122 4.619 4.740 0.001 0.000 0.184 299 N C 2.188 177.710 175.510 0.019 0.000 1.021 299 N CA 1.698 54.782 53.050 0.057 0.000 0.854 299 N CB -0.260 38.282 38.487 0.092 0.000 0.994 299 N HN 0.429 nan 8.380 nan 0.000 0.426 300 S N 0.850 116.554 115.700 0.008 0.000 2.382 300 S HA -0.109 4.362 4.470 0.001 0.000 0.228 300 S C 1.819 176.422 174.600 0.005 0.000 1.027 300 S CA 1.141 59.350 58.200 0.015 0.000 0.991 300 S CB -0.017 63.192 63.200 0.015 0.000 0.823 300 S HN 0.307 nan 8.310 nan 0.000 0.469 301 Q N -0.063 119.725 119.800 -0.020 0.000 2.084 301 Q HA -0.073 4.268 4.340 0.001 0.000 0.202 301 Q C 2.274 178.260 176.000 -0.023 0.000 0.978 301 Q CA 1.758 57.546 55.803 -0.026 0.000 0.844 301 Q CB -0.265 28.440 28.738 -0.055 0.000 0.898 301 Q HN 0.445 nan 8.270 nan 0.000 0.426 302 V N 1.142 121.041 119.914 -0.026 0.000 2.295 302 V HA -0.283 3.838 4.120 0.001 0.000 0.246 302 V C 2.083 178.141 176.094 -0.060 0.000 1.049 302 V CA 1.767 64.051 62.300 -0.027 0.000 1.024 302 V CB -0.380 31.448 31.823 0.008 0.000 0.648 302 V HN 0.313 nan 8.190 nan 0.000 0.447 303 K N -0.536 119.821 120.400 -0.071 0.000 2.009 303 K HA -0.255 4.066 4.320 0.001 0.000 0.210 303 K C 2.274 178.757 176.600 -0.195 0.000 1.049 303 K CA 1.855 58.035 56.287 -0.179 0.000 0.929 303 K CB -0.286 32.148 32.500 -0.111 0.000 0.714 303 K HN 0.517 nan 8.250 nan 0.000 0.440 304 Q N 0.161 119.961 119.800 0.001 0.000 2.029 304 Q HA -0.228 4.112 4.340 0.001 0.000 0.209 304 Q C 2.207 178.247 176.000 0.067 0.000 0.999 304 Q CA 1.965 57.833 55.803 0.109 0.000 0.857 304 Q CB -0.353 28.438 28.738 0.087 0.000 0.926 304 Q HN 0.398 nan 8.270 nan 0.000 0.415 305 A N 0.616 123.447 122.820 0.018 0.000 1.986 305 A HA -0.294 4.027 4.320 0.001 0.000 0.220 305 A C 1.909 179.517 177.584 0.039 0.000 1.171 305 A CA 1.818 53.871 52.037 0.026 0.000 0.640 305 A CB -0.476 18.522 19.000 -0.004 0.000 0.811 305 A HN 0.417 nan 8.150 nan 0.000 0.451 306 Q N -1.944 117.832 119.800 -0.040 0.000 2.083 306 Q HA -0.132 4.209 4.340 0.001 0.000 0.198 306 Q C 1.883 177.909 176.000 0.044 0.000 0.969 306 Q CA 1.512 57.290 55.803 -0.041 0.000 0.838 306 Q CB -0.257 28.369 28.738 -0.188 0.000 0.900 306 Q HN 0.808 nan 8.270 nan 0.000 0.436 307 Y N 0.650 121.003 120.300 0.090 0.000 2.181 307 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 307 Y C 2.076 178.019 175.900 0.072 0.000 1.146 307 Y CA 1.195 59.336 58.100 0.069 0.000 1.164 307 Y CB -0.720 37.765 38.460 0.043 0.000 0.982 307 Y HN 0.190 nan 8.280 nan 0.000 0.515 308 N N -0.314 118.521 118.700 0.225 0.000 2.137 308 N HA -0.250 4.491 4.740 0.001 0.000 0.190 308 N C 1.678 177.292 175.510 0.174 0.000 1.017 308 N CA 1.295 54.440 53.050 0.159 0.000 0.859 308 N CB -0.510 38.054 38.487 0.128 0.000 1.002 308 N HN 0.228 nan 8.380 nan 0.000 0.428 309 F N 0.167 120.144 119.950 0.044 0.000 2.186 309 F HA -0.025 4.502 4.527 0.001 0.000 0.299 309 F C 1.978 177.804 175.800 0.044 0.000 1.090 309 F CA 0.695 58.714 58.000 0.031 0.000 1.307 309 F CB -0.437 38.571 39.000 0.012 0.000 1.019 309 F HN -0.114 nan 8.300 nan 0.000 0.489 310 V N 0.236 120.177 119.914 0.045 0.000 2.295 310 V HA -0.255 3.865 4.120 0.001 0.000 0.246 310 V C 2.775 178.816 176.094 -0.088 0.000 1.049 310 V CA 2.040 64.313 62.300 -0.046 0.000 1.024 310 V CB -1.611 30.270 31.823 0.098 0.000 0.648 310 V HN 0.505 nan 8.190 nan 0.000 0.447 311 G N -0.491 108.303 108.800 -0.011 0.000 2.442 311 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 311 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 311 G C 1.711 176.575 174.900 -0.060 0.000 1.141 311 G CA 1.025 46.114 45.100 -0.018 0.000 0.763 311 G HN 0.630 nan 8.290 nan 0.000 0.554 312 A N 0.241 123.006 122.820 -0.091 0.000 2.015 312 A HA 0.136 4.456 4.320 0.001 0.000 0.219 312 A C 2.636 180.114 177.584 -0.177 0.000 1.163 312 A CA 2.089 54.064 52.037 -0.104 0.000 0.646 312 A CB -0.278 18.687 19.000 -0.058 0.000 0.806 312 A HN 0.312 nan 8.150 nan 0.000 0.448 313 S N -0.622 114.906 115.700 -0.287 0.000 2.388 313 S HA -0.050 4.420 4.470 0.001 0.000 0.223 313 S C 1.890 176.411 174.600 -0.131 0.000 1.034 313 S CA 0.783 58.815 58.200 -0.281 0.000 0.963 313 S CB -0.190 62.761 63.200 -0.414 0.000 0.827 313 S HN 0.560 nan 8.310 nan 0.000 0.481 314 E N 1.799 121.938 120.200 -0.102 0.000 2.085 314 E HA -0.178 4.172 4.350 0.001 0.000 0.194 314 E C 2.093 178.671 176.600 -0.038 0.000 0.994 314 E CA 1.071 57.441 56.400 -0.051 0.000 0.801 314 E CB -0.423 29.255 29.700 -0.036 0.000 0.743 314 E HN 0.572 nan 8.360 nan 0.000 0.453 315 Q N 0.130 119.902 119.800 -0.047 0.000 2.096 315 Q HA -0.151 4.189 4.340 0.001 0.000 0.204 315 Q C 2.370 178.347 176.000 -0.038 0.000 0.982 315 Q CA 0.986 56.768 55.803 -0.036 0.000 0.850 315 Q CB -0.189 28.528 28.738 -0.035 0.000 0.901 315 Q HN 0.156 nan 8.270 nan 0.000 0.422 316 L N 0.870 122.063 121.223 -0.049 0.000 2.017 316 L HA -0.233 4.108 4.340 0.001 0.000 0.208 316 L C 2.240 179.113 176.870 0.004 0.000 1.073 316 L CA 1.962 56.775 54.840 -0.046 0.000 0.745 316 L CB -0.277 41.757 42.059 -0.043 0.000 0.894 316 L HN 0.133 nan 8.230 nan 0.000 0.432 317 E N -0.540 119.683 120.200 0.039 0.000 2.085 317 E HA -0.212 4.139 4.350 0.001 0.000 0.194 317 E C 2.150 178.788 176.600 0.063 0.000 0.994 317 E CA 1.792 58.245 56.400 0.087 0.000 0.801 317 E CB -0.347 29.377 29.700 0.040 0.000 0.743 317 E HN 0.514 nan 8.360 nan 0.000 0.453 318 S N -0.179 115.533 115.700 0.020 0.000 2.400 318 S HA -0.198 4.273 4.470 0.001 0.000 0.232 318 S C 1.887 176.490 174.600 0.004 0.000 1.025 318 S CA 1.007 59.213 58.200 0.010 0.000 0.993 318 S CB -0.424 62.774 63.200 -0.004 0.000 0.808 318 S HN 0.522 nan 8.310 nan 0.000 0.478 319 A N 1.354 124.161 122.820 -0.023 0.000 1.872 319 A HA -0.099 4.221 4.320 0.001 0.000 0.214 319 A C 1.875 179.418 177.584 -0.067 0.000 1.187 319 A CA 1.049 53.046 52.037 -0.067 0.000 0.614 319 A CB -0.793 18.131 19.000 -0.127 0.000 0.826 319 A HN 0.505 nan 8.150 nan 0.000 0.442 320 H N -0.083 118.982 119.070 -0.009 0.000 2.290 320 H HA -0.089 4.467 4.556 0.001 0.000 0.298 320 H C 2.339 177.663 175.328 -0.007 0.000 1.087 320 H CA 1.877 57.920 56.048 -0.008 0.000 1.291 320 H CB -0.207 29.549 29.762 -0.010 0.000 1.369 320 H HN 0.452 nan 8.280 nan 0.000 0.492 321 R N 0.057 120.630 120.500 0.123 0.000 2.103 321 R HA -0.124 4.216 4.340 0.001 0.000 0.242 321 R C 2.672 178.997 176.300 0.041 0.000 1.142 321 R CA 1.405 57.543 56.100 0.064 0.000 0.960 321 R CB -0.287 30.039 30.300 0.043 0.000 0.858 321 R HN 0.132 nan 8.270 nan 0.000 0.439 322 S N 0.191 115.908 115.700 0.028 0.000 2.383 322 S HA -0.077 4.394 4.470 0.001 0.000 0.227 322 S C 1.979 176.589 174.600 0.017 0.000 1.026 322 S CA 1.115 59.325 58.200 0.016 0.000 0.981 322 S CB 0.015 63.216 63.200 0.003 0.000 0.818 322 S HN 0.129 nan 8.310 nan 0.000 0.472 323 V N 1.285 121.209 119.914 0.017 0.000 2.453 323 V HA -0.055 4.065 4.120 0.001 0.000 0.247 323 V C 2.438 178.550 176.094 0.031 0.000 1.048 323 V CA 1.329 63.640 62.300 0.018 0.000 1.049 323 V CB -0.780 31.049 31.823 0.009 0.000 0.672 323 V HN 0.367 nan 8.190 nan 0.000 0.457 324 V N 0.227 120.168 119.914 0.044 0.000 2.220 324 V HA -0.315 3.805 4.120 0.001 0.000 0.246 324 V C 2.659 178.770 176.094 0.028 0.000 1.049 324 V CA 2.558 64.878 62.300 0.034 0.000 1.003 324 V CB -0.677 31.167 31.823 0.035 0.000 0.634 324 V HN 0.585 nan 8.190 nan 0.000 0.444 325 Q N -0.238 119.579 119.800 0.030 0.000 2.135 325 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 325 Q C 2.133 178.154 176.000 0.036 0.000 0.981 325 Q CA 2.672 58.494 55.803 0.032 0.000 0.856 325 Q CB -0.560 28.195 28.738 0.027 0.000 0.902 325 Q HN 0.702 nan 8.270 nan 0.000 0.425 326 T N 0.581 115.154 114.554 0.031 0.000 2.737 326 T HA -0.075 4.275 4.350 0.001 0.000 0.265 326 T C 1.981 176.706 174.700 0.042 0.000 1.038 326 T CA 1.433 63.552 62.100 0.032 0.000 1.144 326 T CB -0.263 68.618 68.868 0.021 0.000 0.866 326 T HN 0.101 nan 8.240 nan 0.000 0.434 327 V N 1.254 121.191 119.914 0.038 0.000 2.427 327 V HA -0.113 4.007 4.120 0.001 0.000 0.248 327 V C 2.629 178.768 176.094 0.075 0.000 1.051 327 V CA 1.473 63.800 62.300 0.044 0.000 1.048 327 V CB -0.485 31.348 31.823 0.018 0.000 0.666 327 V HN 0.371 nan 8.190 nan 0.000 0.456 328 R N -0.266 120.274 120.500 0.066 0.000 2.056 328 R HA -0.082 4.258 4.340 0.001 0.000 0.227 328 R C 2.595 178.992 176.300 0.160 0.000 1.149 328 R CA 1.546 57.711 56.100 0.108 0.000 0.937 328 R CB -0.818 29.521 30.300 0.066 0.000 0.835 328 R HN 0.400 nan 8.270 nan 0.000 0.430 329 S N 0.791 116.551 115.700 0.101 0.000 2.399 329 S HA -0.244 4.227 4.470 0.001 0.000 0.235 329 S C 1.999 176.651 174.600 0.088 0.000 1.063 329 S CA 1.930 60.180 58.200 0.083 0.000 1.070 329 S CB -0.364 62.870 63.200 0.055 0.000 0.904 329 S HN 0.365 nan 8.310 nan 0.000 0.456 330 S N -0.097 115.661 115.700 0.096 0.000 2.387 330 S HA -0.045 4.426 4.470 0.001 0.000 0.226 330 S C 1.537 176.204 174.600 0.112 0.000 1.026 330 S CA 0.947 59.196 58.200 0.082 0.000 0.972 330 S CB -0.389 62.852 63.200 0.068 0.000 0.814 330 S HN 0.550 nan 8.310 nan 0.000 0.477 331 F N 2.983 122.937 119.950 0.006 0.000 2.084 331 F HA -0.022 4.505 4.527 0.001 0.000 0.296 331 F C 1.987 177.797 175.800 0.016 0.000 1.111 331 F CA 1.833 59.838 58.000 0.009 0.000 1.224 331 F CB -0.861 38.144 39.000 0.008 0.000 0.991 331 F HN 0.177 nan 8.300 nan 0.000 0.471 332 N N 1.281 120.018 118.700 0.063 0.000 2.069 332 N HA -0.264 4.477 4.740 0.001 0.000 0.196 332 N C 1.452 176.900 175.510 -0.104 0.000 1.024 332 N CA 1.868 54.886 53.050 -0.053 0.000 0.869 332 N CB -0.884 37.648 38.487 0.073 0.000 1.035 332 N HN 0.392 nan 8.380 nan 0.000 0.434 333 N N 0.772 119.449 118.700 -0.039 0.000 2.216 333 N HA -0.034 4.707 4.740 0.001 0.000 0.183 333 N C 1.874 177.364 175.510 -0.033 0.000 1.017 333 N CA 0.242 53.280 53.050 -0.021 0.000 0.861 333 N CB -0.266 38.229 38.487 0.012 0.000 0.986 333 N HN 0.321 nan 8.380 nan 0.000 0.428 334 I N 1.045 121.576 120.570 -0.065 0.000 2.394 334 I HA -0.229 3.941 4.170 0.001 0.000 0.251 334 I C 1.361 177.452 176.117 -0.043 0.000 1.136 334 I CA 1.001 62.279 61.300 -0.037 0.000 1.425 334 I CB 0.055 38.016 38.000 -0.065 0.000 1.079 334 I HN 0.039 nan 8.210 nan 0.000 0.425 335 N N 1.352 119.938 118.700 -0.191 0.000 2.106 335 N HA -0.102 4.639 4.740 0.001 0.000 0.188 335 N C 1.792 177.243 175.510 -0.098 0.000 1.029 335 N CA 1.643 54.575 53.050 -0.196 0.000 0.848 335 N CB -0.404 37.867 38.487 -0.360 0.000 1.007 335 N HN 0.402 nan 8.380 nan 0.000 0.423 336 A N -0.463 122.309 122.820 -0.081 0.000 2.067 336 A HA -0.020 4.301 4.320 0.001 0.000 0.219 336 A C 2.374 179.953 177.584 -0.009 0.000 1.158 336 A CA 1.437 53.448 52.037 -0.043 0.000 0.661 336 A CB -0.501 18.482 19.000 -0.028 0.000 0.801 336 A HN 0.271 nan 8.150 nan 0.000 0.452 337 S N -0.812 114.902 115.700 0.025 0.000 2.446 337 S HA 0.052 4.522 4.470 0.001 0.000 0.225 337 S C 1.774 176.418 174.600 0.074 0.000 1.016 337 S CA 0.714 58.965 58.200 0.086 0.000 0.943 337 S CB -0.384 62.911 63.200 0.158 0.000 0.786 337 S HN 0.530 nan 8.310 nan 0.000 0.508 338 I N 0.260 120.855 120.570 0.040 0.000 2.193 338 I HA -0.058 4.112 4.170 0.001 0.000 0.240 338 I C 2.425 178.511 176.117 -0.052 0.000 1.084 338 I CA 0.842 62.124 61.300 -0.029 0.000 1.365 338 I CB -0.455 37.525 38.000 -0.034 0.000 1.064 338 I HN 0.219 nan 8.210 nan 0.000 0.410 339 S N -0.321 115.347 115.700 -0.053 0.000 2.537 339 S HA -0.128 4.342 4.470 0.001 0.000 0.240 339 S C 2.064 176.606 174.600 -0.096 0.000 0.981 339 S CA 1.291 59.449 58.200 -0.071 0.000 0.948 339 S CB -0.192 62.967 63.200 -0.070 0.000 0.759 339 S HN 0.361 nan 8.310 nan 0.000 0.531 340 S N 0.323 115.978 115.700 -0.075 0.000 2.460 340 S HA 0.246 4.716 4.470 0.001 0.000 0.226 340 S C 1.619 176.183 174.600 -0.059 0.000 1.057 340 S CA 0.039 58.168 58.200 -0.117 0.000 0.948 340 S CB -0.151 63.043 63.200 -0.011 0.000 0.822 340 S HN 0.518 nan 8.310 nan 0.000 0.512 341 I N 2.290 122.869 120.570 0.015 0.000 2.335 341 I HA -0.231 3.940 4.170 0.001 0.000 0.251 341 I C 2.005 178.121 176.117 -0.001 0.000 1.129 341 I CA 1.214 62.536 61.300 0.037 0.000 1.402 341 I CB -0.555 37.447 38.000 0.004 0.000 1.069 341 I HN 0.408 nan 8.210 nan 0.000 0.424 342 N N 0.707 119.378 118.700 -0.048 0.000 2.080 342 N HA -0.122 4.618 4.740 0.001 0.000 0.189 342 N C 2.068 177.534 175.510 -0.074 0.000 1.036 342 N CA 1.119 54.135 53.050 -0.057 0.000 0.846 342 N CB -0.166 38.281 38.487 -0.066 0.000 1.015 342 N HN 0.298 nan 8.380 nan 0.000 0.423 343 A N 0.768 123.503 122.820 -0.142 0.000 1.908 343 A HA -0.170 4.151 4.320 0.001 0.000 0.218 343 A C 1.639 179.128 177.584 -0.158 0.000 1.181 343 A CA 1.349 53.266 52.037 -0.200 0.000 0.627 343 A CB -0.902 17.898 19.000 -0.333 0.000 0.818 343 A HN 0.337 nan 8.150 nan 0.000 0.445 344 Y N -0.176 120.098 120.300 -0.043 0.000 2.373 344 Y HA -0.060 4.490 4.550 0.001 0.000 0.293 344 Y C 2.268 178.128 175.900 -0.066 0.000 1.129 344 Y CA 1.089 59.157 58.100 -0.053 0.000 1.226 344 Y CB -0.331 38.097 38.460 -0.053 0.000 1.000 344 Y HN 0.292 nan 8.280 nan 0.000 0.549 345 K N 0.378 120.821 120.400 0.072 0.000 2.152 345 K HA -0.274 4.046 4.320 0.001 0.000 0.206 345 K C 2.106 178.702 176.600 -0.006 0.000 1.048 345 K CA 1.769 58.063 56.287 0.012 0.000 0.933 345 K CB -0.030 32.467 32.500 -0.005 0.000 0.721 345 K HN 0.418 nan 8.250 nan 0.000 0.447 346 Q N -0.722 119.073 119.800 -0.009 0.000 2.250 346 Q HA 0.037 4.377 4.340 0.001 0.000 0.200 346 Q C 1.667 177.660 176.000 -0.012 0.000 0.941 346 Q CA 0.759 56.550 55.803 -0.019 0.000 0.872 346 Q CB 0.076 28.796 28.738 -0.030 0.000 0.965 346 Q HN 0.316 nan 8.270 nan 0.000 0.480 347 A N 0.088 122.914 122.820 0.011 0.000 2.067 347 A HA -0.071 4.250 4.320 0.001 0.000 0.219 347 A C 2.047 179.629 177.584 -0.003 0.000 1.158 347 A CA 1.066 53.117 52.037 0.023 0.000 0.661 347 A CB -0.485 18.568 19.000 0.087 0.000 0.801 347 A HN 0.334 nan 8.150 nan 0.000 0.452 348 V N -0.954 118.947 119.914 -0.021 0.000 2.379 348 V HA -0.144 3.976 4.120 0.001 0.000 0.245 348 V C 2.437 178.484 176.094 -0.078 0.000 1.044 348 V CA 1.928 64.180 62.300 -0.079 0.000 1.036 348 V CB -0.083 31.675 31.823 -0.108 0.000 0.664 348 V HN 0.319 nan 8.190 nan 0.000 0.453 349 V N -0.042 119.840 119.914 -0.054 0.000 2.287 349 V HA -0.253 3.867 4.120 0.001 0.000 0.248 349 V C 2.815 178.885 176.094 -0.040 0.000 1.053 349 V CA 2.658 64.930 62.300 -0.047 0.000 1.027 349 V CB -0.416 31.386 31.823 -0.035 0.000 0.646 349 V HN 0.760 nan 8.190 nan 0.000 0.447 350 S N 0.270 115.951 115.700 -0.031 0.000 2.351 350 S HA -0.215 4.256 4.470 0.001 0.000 0.220 350 S C 2.130 176.714 174.600 -0.028 0.000 1.035 350 S CA 1.898 60.084 58.200 -0.024 0.000 1.031 350 S CB -0.555 62.635 63.200 -0.016 0.000 0.928 350 S HN 0.657 nan 8.310 nan 0.000 0.433 351 A N 0.560 123.359 122.820 -0.036 0.000 2.076 351 A HA -0.129 4.191 4.320 0.001 0.000 0.220 351 A C 2.154 179.706 177.584 -0.054 0.000 1.160 351 A CA 2.049 54.061 52.037 -0.043 0.000 0.653 351 A CB -0.872 18.092 19.000 -0.060 0.000 0.801 351 A HN 0.663 nan 8.150 nan 0.000 0.455 352 Q N 0.537 120.298 119.800 -0.065 0.000 2.061 352 Q HA -0.083 4.257 4.340 0.001 0.000 0.195 352 Q C 2.295 178.274 176.000 -0.036 0.000 0.967 352 Q CA 2.358 58.121 55.803 -0.067 0.000 0.829 352 Q CB -0.444 28.246 28.738 -0.080 0.000 0.900 352 Q HN 0.676 nan 8.270 nan 0.000 0.450 353 S N -1.004 114.680 115.700 -0.028 0.000 2.428 353 S HA -0.079 4.392 4.470 0.001 0.000 0.230 353 S C 2.099 176.695 174.600 -0.006 0.000 1.014 353 S CA 1.092 59.284 58.200 -0.014 0.000 0.957 353 S CB -0.545 62.647 63.200 -0.013 0.000 0.784 353 S HN 0.322 nan 8.310 nan 0.000 0.499 354 S N 1.079 116.774 115.700 -0.009 0.000 2.383 354 S HA 0.019 4.489 4.470 0.001 0.000 0.227 354 S C 1.711 176.313 174.600 0.004 0.000 1.026 354 S CA 0.877 59.076 58.200 -0.002 0.000 0.981 354 S CB -0.561 62.637 63.200 -0.004 0.000 0.818 354 S HN 0.454 nan 8.310 nan 0.000 0.472 355 L N 2.221 123.444 121.223 -0.001 0.000 1.988 355 L HA -0.014 4.327 4.340 0.001 0.000 0.207 355 L C 1.937 178.818 176.870 0.018 0.000 1.071 355 L CA 2.219 57.064 54.840 0.008 0.000 0.744 355 L CB -1.047 41.016 42.059 0.007 0.000 0.893 355 L HN 0.178 nan 8.230 nan 0.000 0.433 356 D N -0.114 120.294 120.400 0.013 0.000 2.191 356 D HA -0.270 4.371 4.640 0.001 0.000 0.195 356 D C 2.062 178.381 176.300 0.030 0.000 1.003 356 D CA 1.636 55.649 54.000 0.021 0.000 0.867 356 D CB -0.087 40.720 40.800 0.011 0.000 0.926 356 D HN 0.550 nan 8.370 nan 0.000 0.450 357 A N 0.674 123.510 122.820 0.025 0.000 1.855 357 A HA -0.094 4.227 4.320 0.001 0.000 0.215 357 A C 2.151 179.763 177.584 0.048 0.000 1.191 357 A CA 1.122 53.177 52.037 0.031 0.000 0.613 357 A CB -0.398 18.615 19.000 0.022 0.000 0.829 357 A HN 0.166 nan 8.150 nan 0.000 0.442 358 M N -0.694 118.935 119.600 0.049 0.000 2.618 358 M HA 0.046 4.527 4.480 0.001 0.000 0.240 358 M C 1.323 177.688 176.300 0.107 0.000 1.123 358 M CA 0.542 55.884 55.300 0.070 0.000 1.060 358 M CB -0.208 32.419 32.600 0.045 0.000 1.535 358 M HN 0.513 nan 8.290 nan 0.000 0.507 359 E N 0.788 121.049 120.200 0.102 0.000 2.166 359 E HA 0.023 4.373 4.350 0.001 0.000 0.192 359 E C 2.150 178.865 176.600 0.191 0.000 0.967 359 E CA 0.643 57.137 56.400 0.156 0.000 0.840 359 E CB 0.203 29.963 29.700 0.100 0.000 0.795 359 E HN 0.473 nan 8.360 nan 0.000 0.470 360 A N 1.016 123.903 122.820 0.112 0.000 1.898 360 A HA -0.074 4.246 4.320 0.001 0.000 0.216 360 A C 2.344 179.973 177.584 0.075 0.000 1.181 360 A CA 1.643 53.727 52.037 0.078 0.000 0.620 360 A CB -1.021 18.008 19.000 0.048 0.000 0.819 360 A HN 0.349 nan 8.150 nan 0.000 0.442 361 G N -0.946 107.910 108.800 0.093 0.000 2.422 361 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 361 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 361 G C 1.455 176.421 174.900 0.111 0.000 1.146 361 G CA 1.244 46.395 45.100 0.085 0.000 0.769 361 G HN 0.659 nan 8.290 nan 0.000 0.547 362 F N 2.626 122.582 119.950 0.010 0.000 2.234 362 F HA 0.019 4.546 4.527 0.001 0.000 0.296 362 F C 2.623 178.429 175.800 0.010 0.000 1.089 362 F CA 1.556 59.563 58.000 0.011 0.000 1.343 362 F CB -0.313 38.695 39.000 0.012 0.000 1.040 362 F HN 0.161 nan 8.300 nan 0.000 0.498 363 S N -0.172 115.289 115.700 -0.400 0.000 2.603 363 S HA 0.042 4.512 4.470 0.001 0.000 0.229 363 S C 0.536 174.972 174.600 -0.272 0.000 0.972 363 S CA 0.604 58.514 58.200 -0.484 0.000 0.935 363 S CB -0.756 62.362 63.200 -0.135 0.000 0.769 363 S HN 0.178 nan 8.310 nan 0.000 0.536 364 V N -0.189 119.616 119.914 -0.182 0.000 2.656 364 V HA 0.672 4.792 4.120 0.001 0.000 0.312 364 V C 1.327 177.372 176.094 -0.082 0.000 1.181 364 V CA -0.406 61.828 62.300 -0.110 0.000 1.250 364 V CB -0.621 31.168 31.823 -0.056 0.000 1.468 364 V HN 0.448 nan 8.190 nan 0.000 0.651 365 G N 1.328 110.062 108.800 -0.110 0.000 2.480 365 G HA2 -0.403 3.557 3.960 0.001 0.000 0.246 365 G HA3 -0.403 3.557 3.960 0.001 0.000 0.246 365 G C 1.016 175.909 174.900 -0.011 0.000 1.073 365 G CA 1.434 46.499 45.100 -0.058 0.000 0.643 365 G HN 0.470 nan 8.290 nan 0.000 0.525 366 T N 0.445 115.000 114.554 0.002 0.000 2.652 366 T HA 0.191 4.541 4.350 0.001 0.000 0.267 366 T C 1.250 175.979 174.700 0.048 0.000 1.039 366 T CA 1.879 63.994 62.100 0.024 0.000 1.153 366 T CB -0.141 68.743 68.868 0.026 0.000 0.863 366 T HN 0.538 nan 8.240 nan 0.000 0.428 367 S N 0.171 115.921 115.700 0.084 0.000 2.568 367 S HA 0.501 4.972 4.470 0.001 0.000 0.293 367 S C 0.127 174.831 174.600 0.174 0.000 1.089 367 S CA -1.017 57.245 58.200 0.104 0.000 0.945 367 S CB 1.981 65.235 63.200 0.090 0.000 1.077 367 S HN 0.582 nan 8.310 nan 0.000 0.485 368 T N -0.330 114.309 114.554 0.141 0.000 2.667 368 T HA 0.283 4.633 4.350 0.001 0.000 0.305 368 T C 1.260 176.068 174.700 0.180 0.000 1.022 368 T CA -0.455 61.751 62.100 0.177 0.000 0.995 368 T CB 0.153 69.078 68.868 0.096 0.000 1.026 368 T HN 0.558 nan 8.240 nan 0.000 0.527 369 I N -0.209 120.430 120.570 0.114 0.000 2.716 369 I HA -0.020 4.150 4.170 0.001 0.000 0.259 369 I C 1.828 177.865 176.117 -0.133 0.000 1.172 369 I CA 0.663 61.837 61.300 -0.209 0.000 1.478 369 I CB -0.018 37.853 38.000 -0.214 0.000 1.104 369 I HN 0.451 nan 8.210 nan 0.000 0.439 370 V N 0.868 120.761 119.914 -0.036 0.000 3.380 370 V HA -0.152 3.968 4.120 0.001 0.000 0.268 370 V C 1.475 177.559 176.094 -0.017 0.000 1.168 370 V CA 1.230 63.514 62.300 -0.026 0.000 1.156 370 V CB -0.678 31.144 31.823 -0.002 0.000 0.785 370 V HN 0.383 nan 8.190 nan 0.000 0.487 371 D N -0.674 119.720 120.400 -0.009 0.000 2.262 371 D HA -0.027 4.613 4.640 0.001 0.000 0.212 371 D C 2.047 178.333 176.300 -0.023 0.000 0.964 371 D CA 0.755 54.756 54.000 0.001 0.000 0.875 371 D CB 0.207 41.026 40.800 0.032 0.000 0.996 371 D HN 0.245 nan 8.370 nan 0.000 0.497 372 V N 0.566 120.435 119.914 -0.074 0.000 2.591 372 V HA -0.069 4.051 4.120 0.001 0.000 0.249 372 V C 2.162 178.196 176.094 -0.099 0.000 1.053 372 V CA 0.890 63.121 62.300 -0.115 0.000 1.068 372 V CB -0.101 31.551 31.823 -0.285 0.000 0.689 372 V HN 0.150 nan 8.190 nan 0.000 0.462 373 L N -0.401 120.761 121.223 -0.101 0.000 1.988 373 L HA -0.124 4.216 4.340 0.001 0.000 0.207 373 L C 2.415 179.270 176.870 -0.025 0.000 1.071 373 L CA 1.979 56.781 54.840 -0.064 0.000 0.744 373 L CB -0.901 41.122 42.059 -0.060 0.000 0.893 373 L HN 0.312 nan 8.230 nan 0.000 0.433 374 D N 0.678 121.067 120.400 -0.019 0.000 2.106 374 D HA -0.224 4.417 4.640 0.001 0.000 0.191 374 D C 2.160 178.465 176.300 0.007 0.000 0.997 374 D CA 1.693 55.692 54.000 -0.003 0.000 0.834 374 D CB -0.289 40.511 40.800 -0.002 0.000 0.956 374 D HN 0.326 nan 8.370 nan 0.000 0.448 375 A N 0.082 122.904 122.820 0.003 0.000 1.978 375 A HA -0.178 4.143 4.320 0.001 0.000 0.220 375 A C 2.336 179.936 177.584 0.027 0.000 1.170 375 A CA 2.103 54.146 52.037 0.010 0.000 0.636 375 A CB -0.821 18.183 19.000 0.005 0.000 0.810 375 A HN 0.249 nan 8.150 nan 0.000 0.448 376 T N -0.874 113.703 114.554 0.040 0.000 2.698 376 T HA -0.095 4.255 4.350 0.001 0.000 0.260 376 T C 2.091 176.892 174.700 0.169 0.000 1.044 376 T CA 1.814 63.979 62.100 0.108 0.000 1.149 376 T CB -0.594 68.317 68.868 0.072 0.000 0.864 376 T HN 0.497 nan 8.240 nan 0.000 0.419 377 T N 1.694 116.297 114.554 0.082 0.000 2.649 377 T HA -0.195 4.156 4.350 0.001 0.000 0.268 377 T C 2.176 176.926 174.700 0.083 0.000 1.036 377 T CA 2.032 64.174 62.100 0.069 0.000 1.157 377 T CB -0.790 68.090 68.868 0.020 0.000 0.861 377 T HN 0.387 nan 8.240 nan 0.000 0.445 378 T N 1.573 116.157 114.554 0.050 0.000 2.684 378 T HA -0.096 4.254 4.350 0.001 0.000 0.267 378 T C 2.339 177.041 174.700 0.003 0.000 1.036 378 T CA 1.656 63.770 62.100 0.024 0.000 1.148 378 T CB -0.981 67.894 68.868 0.013 0.000 0.863 378 T HN 0.448 nan 8.240 nan 0.000 0.436 379 L N 0.189 121.410 121.223 -0.003 0.000 1.963 379 L HA -0.135 4.205 4.340 0.001 0.000 0.220 379 L C 2.463 179.211 176.870 -0.203 0.000 1.076 379 L CA 2.431 57.197 54.840 -0.123 0.000 0.772 379 L CB -2.141 39.808 42.059 -0.183 0.000 0.892 379 L HN 0.485 nan 8.230 nan 0.000 0.435 380 Y N 0.332 120.557 120.300 -0.125 0.000 2.403 380 Y HA -0.191 4.359 4.550 0.001 0.000 0.291 380 Y C 2.716 178.527 175.900 -0.148 0.000 1.143 380 Y CA 1.661 59.658 58.100 -0.170 0.000 1.257 380 Y CB -0.399 38.001 38.460 -0.100 0.000 0.984 380 Y HN 0.539 nan 8.280 nan 0.000 0.550 381 N N -0.021 118.689 118.700 0.017 0.000 2.135 381 N HA -0.125 4.615 4.740 0.001 0.000 0.186 381 N C 2.067 177.508 175.510 -0.116 0.000 1.027 381 N CA 1.397 54.429 53.050 -0.030 0.000 0.849 381 N CB -0.754 37.726 38.487 -0.011 0.000 1.002 381 N HN 0.315 nan 8.380 nan 0.000 0.425 382 A N 1.445 124.192 122.820 -0.121 0.000 1.933 382 A HA -0.124 4.196 4.320 0.001 0.000 0.218 382 A C 2.067 179.517 177.584 -0.224 0.000 1.175 382 A CA 1.192 53.138 52.037 -0.152 0.000 0.628 382 A CB -0.301 18.660 19.000 -0.066 0.000 0.814 382 A HN 0.078 nan 8.150 nan 0.000 0.444 383 K N -0.323 119.894 120.400 -0.306 0.000 2.074 383 K HA -0.193 4.127 4.320 0.001 0.000 0.209 383 K C 2.236 178.634 176.600 -0.337 0.000 1.048 383 K CA 1.848 57.834 56.287 -0.502 0.000 0.926 383 K CB -0.304 31.657 32.500 -0.900 0.000 0.713 383 K HN 0.693 nan 8.250 nan 0.000 0.444 384 Q N 0.128 119.844 119.800 -0.139 0.000 1.994 384 Q HA -0.153 4.187 4.340 0.001 0.000 0.198 384 Q C 2.056 178.021 176.000 -0.057 0.000 0.976 384 Q CA 1.044 56.914 55.803 0.113 0.000 0.828 384 Q CB -0.110 28.698 28.738 0.118 0.000 0.894 384 Q HN 0.175 nan 8.270 nan 0.000 0.432 385 E N 0.865 120.931 120.200 -0.224 0.000 2.169 385 E HA -0.236 4.115 4.350 0.001 0.000 0.202 385 E C 1.718 178.014 176.600 -0.506 0.000 1.016 385 E CA 0.939 57.050 56.400 -0.481 0.000 0.817 385 E CB -0.217 28.968 29.700 -0.858 0.000 0.736 385 E HN 0.194 nan 8.360 nan 0.000 0.462 386 L N -0.017 121.004 121.223 -0.336 0.000 1.973 386 L HA -0.025 4.315 4.340 0.001 0.000 0.208 386 L C 2.174 178.950 176.870 -0.156 0.000 1.073 386 L CA 2.503 57.247 54.840 -0.159 0.000 0.746 386 L CB -1.194 40.804 42.059 -0.101 0.000 0.891 386 L HN 0.112 nan 8.230 nan 0.000 0.433 387 A N -0.410 122.328 122.820 -0.136 0.000 1.978 387 A HA -0.282 4.038 4.320 0.001 0.000 0.220 387 A C 2.147 179.539 177.584 -0.320 0.000 1.170 387 A CA 1.925 53.807 52.037 -0.259 0.000 0.636 387 A CB -1.251 17.698 19.000 -0.085 0.000 0.810 387 A HN 0.748 nan 8.150 nan 0.000 0.448 388 N N 0.282 118.927 118.700 -0.091 0.000 2.084 388 N HA -0.077 4.663 4.740 0.001 0.000 0.190 388 N C 1.742 177.249 175.510 -0.005 0.000 1.030 388 N CA 2.076 55.142 53.050 0.026 0.000 0.849 388 N CB -0.400 38.102 38.487 0.025 0.000 1.012 388 N HN 0.307 nan 8.380 nan 0.000 0.423 389 A N 0.547 123.344 122.820 -0.039 0.000 1.978 389 A HA -0.117 4.204 4.320 0.001 0.000 0.220 389 A C 2.261 179.852 177.584 0.011 0.000 1.170 389 A CA 1.140 53.203 52.037 0.043 0.000 0.636 389 A CB -0.597 18.491 19.000 0.147 0.000 0.810 389 A HN 0.364 nan 8.150 nan 0.000 0.448 390 R N -1.698 118.707 120.500 -0.159 0.000 2.080 390 R HA -0.176 4.164 4.340 0.001 0.000 0.236 390 R C 2.034 178.247 176.300 -0.144 0.000 1.137 390 R CA 1.943 57.886 56.100 -0.262 0.000 0.943 390 R CB -0.568 29.296 30.300 -0.727 0.000 0.846 390 R HN 0.645 nan 8.270 nan 0.000 0.431 391 Y N 1.224 121.448 120.300 -0.128 0.000 2.114 391 Y HA -0.236 4.314 4.550 0.001 0.000 0.282 391 Y C 2.172 178.035 175.900 -0.062 0.000 1.165 391 Y CA 1.134 59.113 58.100 -0.201 0.000 1.148 391 Y CB -0.784 37.582 38.460 -0.158 0.000 0.972 391 Y HN 0.106 nan 8.280 nan 0.000 0.504 392 N N -0.807 117.992 118.700 0.166 0.000 2.149 392 N HA -0.246 4.495 4.740 0.001 0.000 0.188 392 N C 1.792 177.386 175.510 0.140 0.000 1.019 392 N CA 1.576 54.711 53.050 0.142 0.000 0.857 392 N CB -1.027 37.536 38.487 0.125 0.000 0.997 392 N HN 0.549 nan 8.380 nan 0.000 0.426 393 Y N 1.411 121.744 120.300 0.055 0.000 2.145 393 Y HA -0.108 4.442 4.550 0.001 0.000 0.286 393 Y C 2.120 178.059 175.900 0.065 0.000 1.145 393 Y CA 1.361 59.498 58.100 0.062 0.000 1.148 393 Y CB -0.485 38.035 38.460 0.100 0.000 0.981 393 Y HN -0.019 nan 8.280 nan 0.000 0.507 394 L N -0.065 121.196 121.223 0.062 0.000 2.012 394 L HA -0.268 4.072 4.340 0.001 0.000 0.210 394 L C 2.513 179.369 176.870 -0.024 0.000 1.073 394 L CA 1.839 56.651 54.840 -0.047 0.000 0.748 394 L CB -0.580 41.424 42.059 -0.091 0.000 0.891 394 L HN 0.321 nan 8.230 nan 0.000 0.431 395 I N -0.279 120.329 120.570 0.063 0.000 2.493 395 I HA -0.232 3.938 4.170 0.001 0.000 0.254 395 I C 1.954 178.082 176.117 0.018 0.000 1.160 395 I CA 0.697 62.063 61.300 0.110 0.000 1.445 395 I CB -0.207 37.892 38.000 0.165 0.000 1.086 395 I HN 0.317 nan 8.210 nan 0.000 0.433 396 N N 0.322 118.998 118.700 -0.039 0.000 2.457 396 N HA -0.115 4.625 4.740 0.001 0.000 0.180 396 N C 1.684 177.121 175.510 -0.122 0.000 1.050 396 N CA 0.787 53.800 53.050 -0.063 0.000 0.906 396 N CB 0.035 38.493 38.487 -0.049 0.000 0.968 396 N HN 0.451 nan 8.380 nan 0.000 0.445 397 Q N -0.418 119.252 119.800 -0.217 0.000 2.230 397 Q HA 0.008 4.348 4.340 0.001 0.000 0.202 397 Q C 1.251 177.193 176.000 -0.097 0.000 0.963 397 Q CA 0.631 56.308 55.803 -0.210 0.000 0.866 397 Q CB 0.190 28.744 28.738 -0.307 0.000 0.931 397 Q HN 0.172 nan 8.270 nan 0.000 0.452 398 L N 0.435 121.621 121.223 -0.063 0.000 2.131 398 L HA -0.080 4.260 4.340 0.001 0.000 0.206 398 L C 1.482 178.337 176.870 -0.025 0.000 1.087 398 L CA 1.553 56.372 54.840 -0.034 0.000 0.767 398 L CB -0.567 41.489 42.059 -0.006 0.000 0.917 398 L HN 0.177 nan 8.230 nan 0.000 0.441 399 N N -1.100 117.590 118.700 -0.017 0.000 2.223 399 N HA -0.172 4.568 4.740 0.001 0.000 0.185 399 N C 1.852 177.360 175.510 -0.003 0.000 1.016 399 N CA 1.336 54.383 53.050 -0.005 0.000 0.863 399 N CB -0.031 38.459 38.487 0.005 0.000 0.983 399 N HN 0.141 nan 8.380 nan 0.000 0.429 400 I N 0.919 121.485 120.570 -0.008 0.000 2.394 400 I HA -0.084 4.086 4.170 0.001 0.000 0.251 400 I C 2.163 178.281 176.117 0.001 0.000 1.136 400 I CA 1.003 62.309 61.300 0.009 0.000 1.425 400 I CB -0.771 37.239 38.000 0.017 0.000 1.079 400 I HN 0.239 nan 8.210 nan 0.000 0.425 401 K N 0.161 120.552 120.400 -0.014 0.000 2.116 401 K HA -0.033 4.288 4.320 0.001 0.000 0.203 401 K C 2.485 179.074 176.600 -0.019 0.000 1.052 401 K CA 1.343 57.619 56.287 -0.019 0.000 0.952 401 K CB -0.556 31.925 32.500 -0.032 0.000 0.729 401 K HN 0.428 nan 8.250 nan 0.000 0.446 402 S N 1.110 116.799 115.700 -0.019 0.000 2.348 402 S HA -0.130 4.340 4.470 0.001 0.000 0.221 402 S C 2.100 176.694 174.600 -0.010 0.000 1.033 402 S CA 1.387 59.576 58.200 -0.018 0.000 1.010 402 S CB -0.187 63.004 63.200 -0.016 0.000 0.891 402 S HN 0.369 nan 8.310 nan 0.000 0.442 403 A N 1.319 124.138 122.820 -0.001 0.000 1.978 403 A HA -0.023 4.298 4.320 0.001 0.000 0.220 403 A C 2.164 179.749 177.584 0.002 0.000 1.170 403 A CA 1.342 53.382 52.037 0.004 0.000 0.636 403 A CB -0.718 18.291 19.000 0.015 0.000 0.810 403 A HN 0.583 nan 8.150 nan 0.000 0.448 404 L N -1.845 119.378 121.223 0.000 0.000 2.217 404 L HA 0.012 4.353 4.340 0.001 0.000 0.211 404 L C 1.944 178.811 176.870 -0.005 0.000 1.107 404 L CA 1.034 55.873 54.840 -0.001 0.000 0.783 404 L CB -0.552 41.507 42.059 -0.001 0.000 0.919 404 L HN 0.656 nan 8.230 nan 0.000 0.442 405 G N -0.223 108.571 108.800 -0.009 0.000 2.141 405 G HA2 -0.316 3.645 3.960 0.001 0.000 0.242 405 G HA3 -0.316 3.645 3.960 0.001 0.000 0.242 405 G C 0.829 175.722 174.900 -0.013 0.000 0.982 405 G CA 0.708 45.801 45.100 -0.011 0.000 0.662 405 G HN 0.383 nan 8.290 nan 0.000 0.527 406 T N -1.857 112.688 114.554 -0.015 0.000 3.023 406 T HA 0.474 4.824 4.350 0.001 0.000 0.253 406 T C 1.137 175.819 174.700 -0.029 0.000 1.038 406 T CA 0.536 62.625 62.100 -0.017 0.000 0.962 406 T CB 0.273 69.133 68.868 -0.013 0.000 1.018 406 T HN 1.048 nan 8.240 nan 0.000 0.521 407 L N 4.536 125.737 121.223 -0.036 0.000 2.700 407 L HA 0.268 4.608 4.340 0.001 0.000 0.276 407 L C -0.044 176.786 176.870 -0.067 0.000 1.200 407 L CA 0.356 55.163 54.840 -0.056 0.000 0.951 407 L CB -1.071 40.953 42.059 -0.058 0.000 1.226 407 L HN 0.782 nan 8.230 nan 0.000 0.489 408 N N 0.814 119.464 118.700 -0.083 0.000 3.204 408 N HA 0.247 4.988 4.740 0.001 0.000 0.285 408 N C 0.225 175.655 175.510 -0.133 0.000 1.536 408 N CA -0.341 52.659 53.050 -0.084 0.000 0.832 408 N CB 0.338 38.798 38.487 -0.043 0.000 1.645 408 N HN 0.416 nan 8.380 nan 0.000 0.586 409 E N -1.165 118.972 120.200 -0.104 0.000 2.153 409 E HA -0.202 4.149 4.350 0.001 0.000 0.194 409 E C 0.935 177.472 176.600 -0.104 0.000 0.988 409 E CA 1.342 57.664 56.400 -0.130 0.000 0.811 409 E CB 0.074 29.779 29.700 0.009 0.000 0.746 409 E HN 0.475 nan 8.360 nan 0.000 0.466 410 Q N 0.705 120.467 119.800 -0.062 0.000 2.119 410 Q HA -0.151 4.189 4.340 0.001 0.000 0.201 410 Q C 1.643 177.609 176.000 -0.056 0.000 0.972 410 Q CA 1.073 56.849 55.803 -0.045 0.000 0.847 410 Q CB -0.268 28.454 28.738 -0.026 0.000 0.903 410 Q HN 0.377 nan 8.270 nan 0.000 0.433 411 D N 0.448 120.804 120.400 -0.073 0.000 2.182 411 D HA -0.104 4.536 4.640 0.001 0.000 0.201 411 D C 2.043 178.293 176.300 -0.084 0.000 0.986 411 D CA 0.684 54.642 54.000 -0.070 0.000 0.847 411 D CB 0.020 40.774 40.800 -0.076 0.000 0.942 411 D HN 0.231 nan 8.370 nan 0.000 0.467 412 L N 0.039 121.179 121.223 -0.140 0.000 2.072 412 L HA -0.114 4.226 4.340 0.001 0.000 0.205 412 L C 2.444 179.254 176.870 -0.100 0.000 1.079 412 L CA 0.290 55.032 54.840 -0.164 0.000 0.752 412 L CB -0.268 41.609 42.059 -0.304 0.000 0.906 412 L HN 0.050 nan 8.230 nan 0.000 0.436 413 L N 0.284 121.462 121.223 -0.074 0.000 2.042 413 L HA -0.211 4.130 4.340 0.001 0.000 0.210 413 L C 2.594 179.454 176.870 -0.017 0.000 1.076 413 L CA 2.046 56.864 54.840 -0.036 0.000 0.749 413 L CB -0.525 41.521 42.059 -0.021 0.000 0.893 413 L HN 0.172 nan 8.230 nan 0.000 0.432 414 A N -1.062 121.749 122.820 -0.015 0.000 1.929 414 A HA -0.148 4.173 4.320 0.001 0.000 0.216 414 A C 2.297 179.895 177.584 0.024 0.000 1.176 414 A CA 1.667 53.706 52.037 0.003 0.000 0.628 414 A CB -0.825 18.174 19.000 -0.001 0.000 0.816 414 A HN 0.470 nan 8.150 nan 0.000 0.444 415 L N -0.292 120.947 121.223 0.026 0.000 2.201 415 L HA -0.146 4.195 4.340 0.001 0.000 0.212 415 L C 2.226 179.150 176.870 0.089 0.000 1.105 415 L CA 1.411 56.299 54.840 0.080 0.000 0.775 415 L CB -0.266 41.852 42.059 0.098 0.000 0.913 415 L HN 0.510 nan 8.230 nan 0.000 0.440 416 N N 0.054 118.770 118.700 0.027 0.000 2.120 416 N HA -0.202 4.539 4.740 0.001 0.000 0.188 416 N C 1.483 177.024 175.510 0.053 0.000 1.024 416 N CA 1.394 54.453 53.050 0.015 0.000 0.852 416 N CB -0.035 38.439 38.487 -0.021 0.000 1.003 416 N HN 0.250 nan 8.380 nan 0.000 0.424 417 N N 0.069 118.798 118.700 0.048 0.000 2.364 417 N HA -0.073 4.667 4.740 0.001 0.000 0.183 417 N C 0.707 176.263 175.510 0.077 0.000 1.022 417 N CA 1.034 54.116 53.050 0.053 0.000 0.883 417 N CB -0.357 38.152 38.487 0.038 0.000 0.965 417 N HN 0.337 nan 8.380 nan 0.000 0.438 418 A N -0.157 122.726 122.820 0.106 0.000 2.337 418 A HA 0.321 4.642 4.320 0.001 0.000 0.227 418 A C 0.127 177.818 177.584 0.178 0.000 1.259 418 A CA -0.144 51.981 52.037 0.146 0.000 0.870 418 A CB -0.468 18.640 19.000 0.179 0.000 0.927 418 A HN 0.243 nan 8.150 nan 0.000 0.497 419 L N -4.598 116.718 121.223 0.156 0.000 2.393 419 L HA 0.904 5.245 4.340 0.001 0.000 0.260 419 L C 0.187 177.133 176.870 0.125 0.000 1.002 419 L CA 0.213 55.152 54.840 0.165 0.000 0.818 419 L CB 1.654 43.854 42.059 0.235 0.000 1.369 419 L HN 0.084 nan 8.230 nan 0.000 0.412 420 S N -1.236 114.532 115.700 0.115 0.000 2.961 420 S HA 0.202 4.672 4.470 0.001 0.000 0.253 420 S C 0.367 175.015 174.600 0.080 0.000 1.029 420 S CA -0.215 58.038 58.200 0.088 0.000 1.087 420 S CB -0.354 62.889 63.200 0.072 0.000 0.932 420 S HN 0.636 nan 8.310 nan 0.000 0.418 421 K N 4.077 124.523 120.400 0.077 0.000 2.378 421 K HA 0.316 4.636 4.320 0.001 0.000 0.288 421 K C -2.903 173.734 176.600 0.063 0.000 1.057 421 K CA -1.909 54.415 56.287 0.061 0.000 0.971 421 K CB 0.336 32.867 32.500 0.052 0.000 0.975 421 K HN 0.114 nan 8.250 nan 0.000 0.475 422 P HA 0.017 nan 4.420 nan 0.000 0.269 422 P C -1.143 176.177 177.300 0.033 0.000 1.252 422 P CA -0.248 62.881 63.100 0.048 0.000 0.780 422 P CB 0.819 32.547 31.700 0.047 0.000 0.829 423 V N 3.032 122.959 119.914 0.022 0.000 2.547 423 V HA 0.339 4.460 4.120 0.001 0.000 0.299 423 V C 0.654 176.744 176.094 -0.007 0.000 1.040 423 V CA -0.613 61.689 62.300 0.003 0.000 0.913 423 V CB 1.883 33.701 31.823 -0.008 0.000 0.992 423 V HN 0.435 nan 8.190 nan 0.000 0.449 424 S N 1.985 117.681 115.700 -0.007 0.000 2.564 424 S HA 0.124 4.595 4.470 0.001 0.000 0.278 424 S C 1.258 175.846 174.600 -0.020 0.000 1.333 424 S CA 0.253 58.450 58.200 -0.006 0.000 1.048 424 S CB 0.941 64.138 63.200 -0.006 0.000 0.900 424 S HN 1.088 nan 8.310 nan 0.000 0.505 425 T N 1.203 115.751 114.554 -0.010 0.000 3.107 425 T HA 0.216 4.566 4.350 0.001 0.000 0.249 425 T C 0.502 175.193 174.700 -0.015 0.000 1.096 425 T CA -0.031 62.059 62.100 -0.017 0.000 1.012 425 T CB -0.215 68.659 68.868 0.010 0.000 0.977 425 T HN 0.479 nan 8.240 nan 0.000 0.527 426 N N 1.917 120.607 118.700 -0.016 0.000 2.646 426 N HA 0.351 5.091 4.740 0.001 0.000 0.303 426 N C -3.142 172.354 175.510 -0.024 0.000 1.921 426 N CA -1.575 51.461 53.050 -0.023 0.000 0.872 426 N CB 0.623 39.095 38.487 -0.025 0.000 1.327 426 N HN 0.196 nan 8.380 nan 0.000 0.492 427 P HA 0.033 nan 4.420 nan 0.000 0.262 427 P C 0.286 177.570 177.300 -0.026 0.000 1.182 427 P CA 0.385 63.470 63.100 -0.025 0.000 0.761 427 P CB 0.695 32.377 31.700 -0.029 0.000 0.795 428 E N 0.000 120.187 120.200 -0.022 0.000 2.725 428 E HA 0.000 4.350 4.350 0.001 0.000 0.291 428 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 428 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440