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 1ye6_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIPDIKLSSG HLMPSIGFGC WKLANATAGE QVYQAIKAGY RLFDGAEDYG DATA SEQUENCE NEKEVGDGVK RAIDEGLVKR EEIFLTSKLW NNYHDPKNVE TALNKTLADL DATA SEQUENCE KVDYVDLFLI HFPIAFKFVP IEEKYPPGFY CGDGNNFVYE DVPILETWKA DATA SEQUENCE LEKLVAAGKI KSIGVSNFPG ALLLDLLRGA TIKPAVLQVE HHPYLQQPKL DATA SEQUENCE IEFAQKAGVT ITAYSSFGPQ SFVEMNQGRA LNTPTLFAHD TIKAIAAKYN DATA SEQUENCE KTPAEVLLRW AAQRGIAVIP RSNLPERLVQ NRSFNTFDLT KEDFEEIAKL DATA SEQUENCE DIGLRFNDPW DWDNIPIFV 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.520 174.600 -0.134 0.000 1.055 4 S CA 0.000 58.140 58.200 -0.100 0.000 1.107 4 S CB 0.000 63.136 63.200 -0.107 0.000 0.593 5 I N 4.373 124.856 120.570 -0.144 0.000 2.347 5 I HA 0.293 4.463 4.170 -0.000 0.000 0.294 5 I C -2.425 173.620 176.117 -0.120 0.000 1.090 5 I CA -1.689 59.511 61.300 -0.167 0.000 1.314 5 I CB 0.777 38.667 38.000 -0.182 0.000 1.423 5 I HN 0.257 nan 8.210 nan 0.000 0.503 6 P HA 0.032 nan 4.420 nan 0.000 0.265 6 P C -0.781 176.473 177.300 -0.077 0.000 1.193 6 P CA 0.041 63.089 63.100 -0.086 0.000 0.765 6 P CB 0.527 32.176 31.700 -0.085 0.000 0.823 7 D N 1.889 122.253 120.400 -0.059 0.000 2.229 7 D HA 0.398 5.038 4.640 -0.000 0.000 0.249 7 D C 0.117 176.385 176.300 -0.054 0.000 1.027 7 D CA -0.061 53.906 54.000 -0.056 0.000 0.923 7 D CB 1.376 42.160 40.800 -0.028 0.000 1.174 7 D HN 0.199 nan 8.370 nan 0.000 0.443 8 I N 1.256 121.788 120.570 -0.063 0.000 2.406 8 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 8 I C 0.323 176.421 176.117 -0.031 0.000 0.999 8 I CA -0.786 60.481 61.300 -0.055 0.000 1.124 8 I CB 1.867 39.823 38.000 -0.072 0.000 1.289 8 I HN -0.038 nan 8.210 nan 0.000 0.441 9 K N 7.247 127.635 120.400 -0.020 0.000 2.316 9 K HA 0.436 4.756 4.320 -0.000 0.000 0.289 9 K C -0.639 175.962 176.600 0.002 0.000 1.070 9 K CA -0.409 55.878 56.287 0.001 0.000 0.928 9 K CB 0.596 33.090 32.500 -0.010 0.000 1.039 9 K HN 0.549 nan 8.250 nan 0.000 0.480 10 L N 2.766 124.012 121.223 0.037 0.000 2.466 10 L HA 0.054 4.394 4.340 -0.000 0.000 0.257 10 L C 1.817 178.700 176.870 0.022 0.000 1.189 10 L CA -0.272 54.595 54.840 0.045 0.000 0.813 10 L CB 1.198 43.329 42.059 0.121 0.000 1.118 10 L HN 0.824 nan 8.230 nan 0.000 0.471 11 S N -1.255 114.455 115.700 0.017 0.000 2.442 11 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 11 S C 1.663 176.265 174.600 0.002 0.000 1.007 11 S CA 0.972 59.172 58.200 0.001 0.000 0.965 11 S CB -0.478 62.724 63.200 0.003 0.000 0.773 11 S HN 0.799 nan 8.310 nan 0.000 0.504 12 S N 0.413 116.130 115.700 0.029 0.000 2.561 12 S HA 0.404 4.874 4.470 -0.000 0.000 0.225 12 S C 1.724 176.225 174.600 -0.166 0.000 0.977 12 S CA 0.600 58.800 58.200 -0.001 0.000 0.926 12 S CB -0.631 62.650 63.200 0.135 0.000 0.769 12 S HN 1.384 nan 8.310 nan 0.000 0.533 13 G N 0.688 109.412 108.800 -0.126 0.000 2.234 13 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 13 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 13 G C 0.033 174.822 174.900 -0.185 0.000 0.997 13 G CA 0.117 45.105 45.100 -0.186 0.000 0.623 13 G HN 0.641 nan 8.290 nan 0.000 0.514 14 H N 0.265 119.371 119.070 0.059 0.000 2.551 14 H HA 0.561 5.117 4.556 -0.000 0.000 0.358 14 H C 0.800 176.201 175.328 0.122 0.000 1.151 14 H CA -0.003 56.103 56.048 0.097 0.000 1.374 14 H CB 0.947 30.788 29.762 0.132 0.000 1.473 14 H HN 0.222 nan 8.280 nan 0.000 0.574 15 L N 2.580 123.965 121.223 0.272 0.000 2.334 15 L HA 0.368 4.708 4.340 -0.000 0.000 0.277 15 L C 0.415 177.384 176.870 0.166 0.000 1.075 15 L CA -0.256 54.681 54.840 0.162 0.000 0.804 15 L CB 0.962 43.087 42.059 0.110 0.000 1.174 15 L HN 0.353 nan 8.230 nan 0.000 0.438 16 M N 4.887 124.454 119.600 -0.055 0.000 2.259 16 M HA 0.482 4.962 4.480 -0.000 0.000 0.304 16 M C -2.618 173.491 176.300 -0.319 0.000 1.019 16 M CA -1.695 53.333 55.300 -0.453 0.000 0.922 16 M CB 2.600 34.848 32.600 -0.587 0.000 1.600 16 M HN 0.164 nan 8.290 nan 0.000 0.433 17 P HA 0.042 nan 4.420 nan 0.000 0.265 17 P C 0.037 177.237 177.300 -0.165 0.000 1.193 17 P CA 0.108 63.103 63.100 -0.175 0.000 0.765 17 P CB 0.756 32.379 31.700 -0.129 0.000 0.823 18 S N 2.959 118.594 115.700 -0.108 0.000 2.481 18 S HA 0.024 4.494 4.470 -0.000 0.000 0.231 18 S C 0.666 175.261 174.600 -0.009 0.000 0.996 18 S CA 0.621 58.781 58.200 -0.066 0.000 0.942 18 S CB -0.519 62.650 63.200 -0.051 0.000 0.768 18 S HN 0.339 nan 8.310 nan 0.000 0.520 19 I N 1.269 121.825 120.570 -0.023 0.000 2.466 19 I HA 0.666 4.836 4.170 -0.000 0.000 0.289 19 I C 0.430 176.581 176.117 0.056 0.000 1.026 19 I CA -0.803 60.530 61.300 0.055 0.000 1.078 19 I CB 1.927 39.927 38.000 -0.001 0.000 1.249 19 I HN 0.241 nan 8.210 nan 0.000 0.429 20 G N 4.397 113.293 108.800 0.160 0.000 3.015 20 G HA2 0.649 4.609 3.960 -0.000 0.000 0.281 20 G HA3 0.649 4.609 3.960 -0.000 0.000 0.281 20 G C -1.976 173.125 174.900 0.336 0.000 1.386 20 G CA -0.474 44.739 45.100 0.189 0.000 0.959 20 G HN 0.326 nan 8.290 nan 0.000 0.522 21 F N 1.128 121.028 119.950 -0.084 0.000 2.402 21 F HA 0.629 5.156 4.527 -0.000 0.000 0.355 21 F C 0.601 176.411 175.800 0.017 0.000 1.123 21 F CA -0.908 56.975 58.000 -0.196 0.000 1.021 21 F CB 1.398 40.066 39.000 -0.554 0.000 1.160 21 F HN 0.588 nan 8.300 nan 0.000 0.451 22 G N 4.208 112.736 108.800 -0.455 0.000 2.378 22 G HA2 0.228 4.188 3.960 -0.000 0.000 0.255 22 G HA3 0.228 4.188 3.960 -0.000 0.000 0.255 22 G C 0.007 174.701 174.900 -0.344 0.000 1.270 22 G CA -0.442 44.509 45.100 -0.248 0.000 0.876 22 G HN 0.957 nan 8.290 nan 0.000 0.521 23 C N 2.707 122.029 119.300 0.037 0.000 2.906 23 C HA 0.171 4.631 4.460 -0.000 0.000 0.274 23 C C 0.685 175.700 174.990 0.042 0.000 1.257 23 C CA -1.275 57.820 59.018 0.127 0.000 1.695 23 C CB -1.438 26.511 27.740 0.349 0.000 1.958 23 C HN 0.743 nan 8.230 nan 0.000 0.619 24 W N 2.357 123.383 121.300 -0.456 0.000 2.251 24 W HA 0.310 4.970 4.660 -0.000 0.000 0.327 24 W C 0.805 177.005 176.519 -0.531 0.000 1.361 24 W CA -0.063 56.737 57.345 -0.907 0.000 1.234 24 W CB 0.292 29.135 29.460 -1.028 0.000 1.212 24 W HN 0.169 nan 8.180 nan 0.000 0.557 25 K N 3.379 123.439 120.400 -0.565 0.000 3.500 25 K HA -0.230 4.090 4.320 -0.000 0.000 0.313 25 K C -0.086 176.303 176.600 -0.353 0.000 1.338 25 K CA 0.891 56.791 56.287 -0.646 0.000 0.963 25 K CB -2.061 29.710 32.500 -1.215 0.000 1.267 25 K HN 0.629 nan 8.250 nan 0.000 0.448 26 L N 1.470 122.584 121.223 -0.181 0.000 2.418 26 L HA 0.191 4.531 4.340 -0.000 0.000 0.274 26 L C 1.218 178.060 176.870 -0.047 0.000 1.135 26 L CA -0.006 54.793 54.840 -0.067 0.000 0.870 26 L CB 0.608 42.698 42.059 0.051 0.000 1.154 26 L HN 0.182 nan 8.230 nan 0.000 0.462 27 A N 3.670 126.458 122.820 -0.052 0.000 2.531 27 A HA -0.011 4.309 4.320 -0.000 0.000 0.236 27 A C 1.015 178.596 177.584 -0.005 0.000 1.062 27 A CA -0.090 51.925 52.037 -0.037 0.000 0.760 27 A CB 0.025 19.005 19.000 -0.033 0.000 0.995 27 A HN 0.871 nan 8.150 nan 0.000 0.501 28 N N 1.659 120.358 118.700 -0.002 0.000 2.166 28 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 28 N C 1.820 177.335 175.510 0.008 0.000 1.019 28 N CA 1.914 54.971 53.050 0.012 0.000 0.856 28 N CB -0.280 38.214 38.487 0.011 0.000 0.993 28 N HN 0.781 nan 8.380 nan 0.000 0.426 29 A N -0.245 122.576 122.820 0.001 0.000 2.015 29 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 29 A C 1.955 179.540 177.584 0.002 0.000 1.163 29 A CA 1.913 53.950 52.037 -0.001 0.000 0.646 29 A CB -0.623 18.374 19.000 -0.005 0.000 0.806 29 A HN 0.474 nan 8.150 nan 0.000 0.448 30 T N -4.977 109.582 114.554 0.008 0.000 3.040 30 T HA 0.543 4.893 4.350 -0.000 0.000 0.266 30 T C 1.606 176.325 174.700 0.033 0.000 1.005 30 T CA 0.824 62.934 62.100 0.017 0.000 0.906 30 T CB 0.205 69.085 68.868 0.020 0.000 1.082 30 T HN 0.415 nan 8.240 nan 0.000 0.531 31 A N 2.088 124.931 122.820 0.037 0.000 1.883 31 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 31 A C 2.521 180.130 177.584 0.042 0.000 1.186 31 A CA 1.919 53.993 52.037 0.062 0.000 0.624 31 A CB -1.629 17.410 19.000 0.064 0.000 0.822 31 A HN 0.601 nan 8.150 nan 0.000 0.444 32 G N -0.512 108.297 108.800 0.015 0.000 2.459 32 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 32 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 32 G C 1.481 176.388 174.900 0.012 0.000 1.183 32 G CA 1.486 46.581 45.100 -0.008 0.000 0.776 32 G HN 0.576 nan 8.290 nan 0.000 0.552 33 E N 0.555 120.767 120.200 0.020 0.000 2.077 33 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 33 E C 2.616 179.275 176.600 0.099 0.000 0.989 33 E CA 1.491 57.928 56.400 0.062 0.000 0.800 33 E CB -0.321 29.402 29.700 0.038 0.000 0.746 33 E HN 0.618 nan 8.360 nan 0.000 0.452 34 Q N -0.524 119.309 119.800 0.056 0.000 2.079 34 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 34 Q C 2.309 178.260 176.000 -0.083 0.000 0.974 34 Q CA 1.593 57.406 55.803 0.017 0.000 0.840 34 Q CB -0.025 28.769 28.738 0.093 0.000 0.898 34 Q HN 0.209 nan 8.270 nan 0.000 0.430 35 V N 0.370 120.258 119.914 -0.044 0.000 2.295 35 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 35 V C 1.980 177.999 176.094 -0.125 0.000 1.049 35 V CA 1.987 64.186 62.300 -0.168 0.000 1.024 35 V CB -0.730 30.910 31.823 -0.304 0.000 0.648 35 V HN 0.390 nan 8.190 nan 0.000 0.447 36 Y N 1.134 121.344 120.300 -0.150 0.000 2.081 36 Y HA -0.290 4.260 4.550 -0.000 0.000 0.280 36 Y C 2.704 178.575 175.900 -0.048 0.000 1.163 36 Y CA 2.031 60.077 58.100 -0.090 0.000 1.135 36 Y CB -0.369 38.052 38.460 -0.066 0.000 0.970 36 Y HN 0.214 nan 8.280 nan 0.000 0.498 37 Q N 0.193 119.929 119.800 -0.108 0.000 2.124 37 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 37 Q C 2.584 178.482 176.000 -0.170 0.000 0.977 37 Q CA 1.471 57.165 55.803 -0.182 0.000 0.850 37 Q CB -0.946 27.762 28.738 -0.051 0.000 0.901 37 Q HN 0.646 nan 8.270 nan 0.000 0.429 38 A N 0.931 123.632 122.820 -0.198 0.000 1.902 38 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 38 A C 2.190 179.835 177.584 0.102 0.000 1.181 38 A CA 1.169 53.085 52.037 -0.201 0.000 0.623 38 A CB -0.700 17.941 19.000 -0.599 0.000 0.818 38 A HN 0.320 nan 8.150 nan 0.000 0.443 39 I N -0.561 120.084 120.570 0.125 0.000 2.208 39 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 39 I C 2.406 178.523 176.117 -0.001 0.000 1.097 39 I CA 1.671 63.061 61.300 0.149 0.000 1.363 39 I CB -0.263 37.783 38.000 0.076 0.000 1.051 39 I HN 0.316 nan 8.210 nan 0.000 0.413 40 K N 0.722 121.029 120.400 -0.156 0.000 2.148 40 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 40 K C 1.988 178.555 176.600 -0.056 0.000 1.050 40 K CA 1.269 57.459 56.287 -0.162 0.000 0.942 40 K CB -0.149 32.177 32.500 -0.290 0.000 0.724 40 K HN 0.291 nan 8.250 nan 0.000 0.446 41 A N 0.189 123.009 122.820 -0.001 0.000 2.206 41 A HA 0.157 4.477 4.320 -0.000 0.000 0.211 41 A C 1.467 179.081 177.584 0.051 0.000 1.158 41 A CA 1.083 53.154 52.037 0.056 0.000 0.761 41 A CB -0.157 18.922 19.000 0.132 0.000 0.801 41 A HN 0.431 nan 8.150 nan 0.000 0.473 42 G N -2.758 106.072 108.800 0.050 0.000 2.255 42 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.196 42 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.196 42 G C 0.001 174.874 174.900 -0.045 0.000 0.998 42 G CA -0.106 44.979 45.100 -0.025 0.000 0.656 42 G HN 0.321 nan 8.290 nan 0.000 0.490 43 Y N 0.954 121.228 120.300 -0.042 0.000 2.411 43 Y HA 0.593 5.143 4.550 -0.000 0.000 0.333 43 Y C 1.791 177.651 175.900 -0.067 0.000 1.186 43 Y CA 0.095 58.125 58.100 -0.118 0.000 1.381 43 Y CB 0.708 39.007 38.460 -0.269 0.000 1.273 43 Y HN -0.007 nan 8.280 nan 0.000 0.546 44 R N 1.479 122.003 120.500 0.039 0.000 2.507 44 R HA 0.226 4.566 4.340 -0.000 0.000 0.230 44 R C -0.568 175.830 176.300 0.164 0.000 0.897 44 R CA -0.122 56.073 56.100 0.159 0.000 1.006 44 R CB 0.298 30.674 30.300 0.126 0.000 1.341 44 R HN 0.622 nan 8.270 nan 0.000 0.604 45 L N 1.253 122.447 121.223 -0.047 0.000 2.295 45 L HA 0.527 4.867 4.340 -0.000 0.000 0.285 45 L C -1.390 175.338 176.870 -0.237 0.000 1.035 45 L CA -0.584 54.290 54.840 0.057 0.000 0.806 45 L CB 0.765 42.823 42.059 -0.002 0.000 1.214 45 L HN -0.215 nan 8.230 nan 0.000 0.426 46 F N 2.699 122.838 119.950 0.316 0.000 2.518 46 F HA 0.284 4.811 4.527 -0.000 0.000 0.323 46 F C -0.276 175.687 175.800 0.272 0.000 1.129 46 F CA -0.764 57.417 58.000 0.302 0.000 0.920 46 F CB 1.670 40.833 39.000 0.271 0.000 1.160 46 F HN 0.438 nan 8.300 nan 0.000 0.440 47 D N 2.305 122.913 120.400 0.345 0.000 2.396 47 D HA 0.554 5.194 4.640 -0.000 0.000 0.225 47 D C 0.126 176.627 176.300 0.335 0.000 1.121 47 D CA 0.061 54.232 54.000 0.285 0.000 0.853 47 D CB 0.657 41.583 40.800 0.209 0.000 1.043 47 D HN 0.691 nan 8.370 nan 0.000 0.500 48 G N 1.831 110.797 108.800 0.277 0.000 3.211 48 G HA2 0.873 4.833 3.960 -0.000 0.000 0.262 48 G HA3 0.873 4.833 3.960 -0.000 0.000 0.262 48 G C -1.277 173.538 174.900 -0.141 0.000 1.352 48 G CA -0.508 44.746 45.100 0.255 0.000 1.004 48 G HN 0.736 nan 8.290 nan 0.000 0.559 49 A N -1.636 120.983 122.820 -0.335 0.000 2.590 49 A HA 0.589 4.909 4.320 -0.000 0.000 0.294 49 A C 0.305 177.771 177.584 -0.195 0.000 1.046 49 A CA -0.098 51.658 52.037 -0.468 0.000 0.684 49 A CB 0.511 18.812 19.000 -1.164 0.000 1.279 49 A HN 0.563 nan 8.150 nan 0.000 0.415 50 E N 0.257 120.483 120.200 0.045 0.000 2.085 50 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 50 E C 0.994 177.527 176.600 -0.113 0.000 0.994 50 E CA 1.803 58.292 56.400 0.147 0.000 0.801 50 E CB 0.000 29.955 29.700 0.424 0.000 0.743 50 E HN 0.810 nan 8.360 nan 0.000 0.453 51 D N -0.511 119.754 120.400 -0.225 0.000 2.263 51 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 51 D C 1.146 177.357 176.300 -0.147 0.000 0.971 51 D CA 0.795 54.479 54.000 -0.526 0.000 0.867 51 D CB 0.042 40.234 40.800 -1.014 0.000 0.929 51 D HN 0.180 nan 8.370 nan 0.000 0.492 52 Y N -0.042 120.216 120.300 -0.071 0.000 2.571 52 Y HA 0.192 4.742 4.550 -0.000 0.000 0.294 52 Y C 2.245 178.144 175.900 -0.002 0.000 1.141 52 Y CA 0.591 58.719 58.100 0.047 0.000 1.308 52 Y CB -0.839 37.709 38.460 0.145 0.000 1.002 52 Y HN 0.076 nan 8.280 nan 0.000 0.551 53 G N 1.491 110.331 108.800 0.067 0.000 2.233 53 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.270 53 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.270 53 G C 0.453 175.405 174.900 0.085 0.000 1.011 53 G CA 0.844 45.952 45.100 0.013 0.000 0.762 53 G HN 0.560 nan 8.290 nan 0.000 0.511 54 N N -1.184 117.599 118.700 0.137 0.000 2.240 54 N HA 0.134 4.874 4.740 -0.000 0.000 0.240 54 N C 0.982 176.567 175.510 0.125 0.000 1.277 54 N CA 0.422 53.544 53.050 0.121 0.000 0.873 54 N CB 0.082 38.641 38.487 0.119 0.000 1.222 54 N HN 0.404 nan 8.380 nan 0.000 0.507 55 E N 1.071 121.355 120.200 0.140 0.000 2.118 55 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 55 E C 1.330 177.975 176.600 0.076 0.000 0.992 55 E CA 0.996 57.467 56.400 0.119 0.000 0.804 55 E CB 0.117 29.898 29.700 0.135 0.000 0.741 55 E HN 0.450 nan 8.360 nan 0.000 0.458 56 K N 1.161 121.607 120.400 0.076 0.000 2.063 56 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 56 K C 1.777 178.390 176.600 0.022 0.000 1.048 56 K CA 1.602 57.913 56.287 0.041 0.000 0.928 56 K CB 0.148 32.675 32.500 0.046 0.000 0.713 56 K HN -0.062 nan 8.250 nan 0.000 0.442 57 E N -0.199 120.021 120.200 0.033 0.000 2.158 57 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 57 E C 1.834 178.438 176.600 0.006 0.000 0.982 57 E CA 0.743 57.153 56.400 0.017 0.000 0.823 57 E CB 0.078 29.794 29.700 0.027 0.000 0.766 57 E HN 0.044 nan 8.360 nan 0.000 0.468 58 V N 0.592 120.520 119.914 0.024 0.000 2.407 58 V HA -0.193 3.926 4.120 -0.000 0.000 0.248 58 V C 2.197 178.254 176.094 -0.061 0.000 1.055 58 V CA 1.981 64.277 62.300 -0.007 0.000 1.049 58 V CB -0.980 30.873 31.823 0.050 0.000 0.662 58 V HN 0.437 nan 8.190 nan 0.000 0.455 59 G N -0.333 108.447 108.800 -0.033 0.000 2.418 59 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 59 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 59 G C 1.249 176.113 174.900 -0.059 0.000 1.158 59 G CA 0.985 46.054 45.100 -0.051 0.000 0.771 59 G HN 0.497 nan 8.290 nan 0.000 0.545 60 D N 0.809 121.181 120.400 -0.047 0.000 2.123 60 D HA -0.089 4.551 4.640 -0.000 0.000 0.196 60 D C 2.660 178.921 176.300 -0.064 0.000 0.992 60 D CA 1.356 55.325 54.000 -0.053 0.000 0.833 60 D CB -0.797 39.975 40.800 -0.045 0.000 0.954 60 D HN 0.315 nan 8.370 nan 0.000 0.455 61 G N 0.807 109.568 108.800 -0.066 0.000 2.440 61 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.218 61 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.218 61 G C 1.888 176.757 174.900 -0.053 0.000 1.154 61 G CA 0.908 45.975 45.100 -0.054 0.000 0.767 61 G HN 0.248 nan 8.290 nan 0.000 0.552 62 V N 0.784 120.626 119.914 -0.119 0.000 2.358 62 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 62 V C 2.638 178.707 176.094 -0.041 0.000 1.047 62 V CA 2.200 64.438 62.300 -0.104 0.000 1.035 62 V CB -0.431 31.312 31.823 -0.132 0.000 0.658 62 V HN 0.430 nan 8.190 nan 0.000 0.452 63 K N 0.421 120.792 120.400 -0.049 0.000 2.032 63 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 63 K C 2.423 179.010 176.600 -0.022 0.000 1.048 63 K CA 1.854 58.118 56.287 -0.037 0.000 0.927 63 K CB -0.206 32.266 32.500 -0.047 0.000 0.712 63 K HN 0.320 nan 8.250 nan 0.000 0.441 64 R N 0.159 120.639 120.500 -0.034 0.000 2.091 64 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 64 R C 2.098 178.432 176.300 0.056 0.000 1.136 64 R CA 1.552 57.621 56.100 -0.051 0.000 0.959 64 R CB -0.359 29.832 30.300 -0.182 0.000 0.856 64 R HN 0.294 nan 8.270 nan 0.000 0.437 65 A N 0.806 123.719 122.820 0.155 0.000 1.969 65 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 65 A C 2.124 179.771 177.584 0.105 0.000 1.169 65 A CA 1.269 53.432 52.037 0.211 0.000 0.635 65 A CB -0.362 18.734 19.000 0.160 0.000 0.810 65 A HN 0.382 nan 8.150 nan 0.000 0.445 66 I N -0.401 120.202 120.570 0.056 0.000 2.286 66 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 66 I C 1.749 177.883 176.117 0.029 0.000 1.104 66 I CA 1.177 62.498 61.300 0.035 0.000 1.397 66 I CB -0.452 37.555 38.000 0.013 0.000 1.072 66 I HN 0.196 nan 8.210 nan 0.000 0.417 67 D N 1.066 121.478 120.400 0.019 0.000 2.149 67 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 67 D C 1.868 178.181 176.300 0.021 0.000 0.990 67 D CA 1.309 55.314 54.000 0.009 0.000 0.839 67 D CB -0.214 40.581 40.800 -0.009 0.000 0.948 67 D HN 0.410 nan 8.370 nan 0.000 0.460 68 E N -0.512 119.713 120.200 0.043 0.000 2.511 68 E HA 0.144 4.494 4.350 -0.000 0.000 0.196 68 E C 1.058 177.691 176.600 0.055 0.000 1.066 68 E CA 0.324 56.758 56.400 0.056 0.000 0.871 68 E CB 0.183 29.946 29.700 0.104 0.000 0.863 68 E HN 0.293 nan 8.360 nan 0.000 0.520 69 G N 1.083 109.912 108.800 0.049 0.000 2.143 69 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 69 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 69 G C 0.768 175.694 174.900 0.044 0.000 0.991 69 G CA 0.340 45.464 45.100 0.040 0.000 0.689 69 G HN 0.276 nan 8.290 nan 0.000 0.522 70 L N -0.973 120.284 121.223 0.057 0.000 2.109 70 L HA 0.238 4.578 4.340 -0.000 0.000 0.207 70 L C 1.538 178.433 176.870 0.041 0.000 1.086 70 L CA 1.661 56.528 54.840 0.044 0.000 0.760 70 L CB -0.458 41.625 42.059 0.040 0.000 0.910 70 L HN 0.595 nan 8.230 nan 0.000 0.437 71 V N -4.781 115.163 119.914 0.050 0.000 3.232 71 V HA 0.467 4.587 4.120 -0.000 0.000 0.303 71 V C -1.048 175.076 176.094 0.050 0.000 1.311 71 V CA -1.273 61.060 62.300 0.054 0.000 1.061 71 V CB 2.180 34.047 31.823 0.073 0.000 1.085 71 V HN -0.065 nan 8.190 nan 0.000 0.447 72 K N 0.018 120.450 120.400 0.053 0.000 2.221 72 K HA 0.553 4.873 4.320 -0.000 0.000 0.243 72 K C 0.622 177.254 176.600 0.054 0.000 0.968 72 K CA -0.979 55.336 56.287 0.047 0.000 0.846 72 K CB 2.313 34.842 32.500 0.047 0.000 1.141 72 K HN 0.768 nan 8.250 nan 0.000 0.434 73 R N 1.597 122.120 120.500 0.039 0.000 2.103 73 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 73 R C 1.009 177.353 176.300 0.072 0.000 1.142 73 R CA 2.033 58.148 56.100 0.026 0.000 0.960 73 R CB -0.204 30.091 30.300 -0.008 0.000 0.858 73 R HN 0.591 nan 8.270 nan 0.000 0.439 74 E N 0.351 120.610 120.200 0.098 0.000 2.333 74 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 74 E C 1.358 178.032 176.600 0.123 0.000 1.007 74 E CA 1.456 57.930 56.400 0.123 0.000 0.845 74 E CB -0.018 29.741 29.700 0.098 0.000 0.766 74 E HN 0.585 nan 8.360 nan 0.000 0.507 75 E N -0.407 119.860 120.200 0.112 0.000 2.442 75 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 75 E C 0.017 176.717 176.600 0.166 0.000 1.030 75 E CA 0.021 56.494 56.400 0.123 0.000 0.869 75 E CB 0.497 30.255 29.700 0.096 0.000 0.857 75 E HN 0.129 nan 8.360 nan 0.000 0.505 76 I N 0.945 121.620 120.570 0.174 0.000 2.392 76 I HA 0.204 4.374 4.170 -0.000 0.000 0.295 76 I C -0.555 175.723 176.117 0.268 0.000 0.985 76 I CA -0.755 60.691 61.300 0.243 0.000 1.221 76 I CB 0.845 38.965 38.000 0.200 0.000 1.366 76 I HN -0.098 nan 8.210 nan 0.000 0.467 77 F N 7.199 127.262 119.950 0.188 0.000 2.347 77 F HA 0.497 5.024 4.527 -0.000 0.000 0.366 77 F C -0.762 175.159 175.800 0.202 0.000 1.107 77 F CA -0.595 57.501 58.000 0.161 0.000 1.058 77 F CB 0.747 39.822 39.000 0.126 0.000 1.236 77 F HN 0.201 nan 8.300 nan 0.000 0.456 78 L N 5.845 127.120 121.223 0.087 0.000 2.282 78 L HA 0.475 4.815 4.340 -0.000 0.000 0.288 78 L C -0.099 176.853 176.870 0.137 0.000 1.033 78 L CA -0.441 54.501 54.840 0.170 0.000 0.807 78 L CB 1.641 43.726 42.059 0.043 0.000 1.209 78 L HN 0.498 nan 8.230 nan 0.000 0.423 79 T N 1.665 116.395 114.554 0.293 0.000 2.779 79 T HA 0.431 4.781 4.350 -0.000 0.000 0.280 79 T C -0.289 174.541 174.700 0.217 0.000 0.987 79 T CA -0.337 61.930 62.100 0.278 0.000 0.966 79 T CB 1.776 70.844 68.868 0.333 0.000 0.933 79 T HN 0.572 nan 8.240 nan 0.000 0.442 80 S N 2.507 118.359 115.700 0.252 0.000 2.709 80 S HA 0.753 5.222 4.470 -0.000 0.000 0.302 80 S C -1.492 173.215 174.600 0.178 0.000 1.127 80 S CA -0.887 57.466 58.200 0.255 0.000 0.905 80 S CB 1.049 64.472 63.200 0.371 0.000 1.151 80 S HN 0.606 nan 8.310 nan 0.000 0.510 81 K N 1.366 121.780 120.400 0.024 0.000 2.427 81 K HA 0.443 4.763 4.320 -0.000 0.000 0.252 81 K C -1.585 174.958 176.600 -0.095 0.000 0.931 81 K CA -0.810 55.339 56.287 -0.230 0.000 0.793 81 K CB 1.918 34.185 32.500 -0.388 0.000 1.211 81 K HN 0.435 nan 8.250 nan 0.000 0.426 82 L N 3.812 124.805 121.223 -0.383 0.000 2.385 82 L HA 0.184 4.524 4.340 -0.000 0.000 0.281 82 L C -0.169 176.963 176.870 0.436 0.000 1.106 82 L CA -0.003 54.855 54.840 0.030 0.000 0.856 82 L CB 0.055 41.998 42.059 -0.193 0.000 1.186 82 L HN 0.642 nan 8.230 nan 0.000 0.453 83 W N 5.285 126.835 121.300 0.418 0.000 2.089 83 W HA -0.053 4.607 4.660 -0.000 0.000 0.355 83 W C 0.760 177.387 176.519 0.181 0.000 1.305 83 W CA -0.659 56.850 57.345 0.274 0.000 1.281 83 W CB 0.687 30.248 29.460 0.168 0.000 1.183 83 W HN 0.681 nan 8.180 nan 0.000 0.604 84 N N 2.259 120.253 118.700 -1.176 0.000 2.364 84 N HA -0.191 4.549 4.740 -0.000 0.000 0.183 84 N C 0.701 175.836 175.510 -0.624 0.000 1.022 84 N CA 1.382 53.782 53.050 -1.084 0.000 0.883 84 N CB -0.340 37.003 38.487 -1.906 0.000 0.965 84 N HN 0.426 nan 8.380 nan 0.000 0.438 85 N N -0.178 118.223 118.700 -0.499 0.000 2.467 85 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 85 N C -0.231 175.331 175.510 0.088 0.000 1.106 85 N CA 0.387 53.327 53.050 -0.183 0.000 0.892 85 N CB 0.016 38.365 38.487 -0.230 0.000 0.969 85 N HN 0.339 nan 8.380 nan 0.000 0.454 86 Y N -1.128 119.430 120.300 0.431 0.000 2.751 86 Y HA 0.309 4.859 4.550 -0.000 0.000 0.289 86 Y C 0.978 177.102 175.900 0.373 0.000 1.110 86 Y CA -0.879 57.485 58.100 0.441 0.000 1.251 86 Y CB -0.911 37.817 38.460 0.445 0.000 1.178 86 Y HN 0.282 nan 8.280 nan 0.000 0.540 87 H N -1.049 118.161 119.070 0.234 0.000 2.482 87 H HA -0.048 4.508 4.556 -0.000 0.000 0.286 87 H C 0.356 175.771 175.328 0.145 0.000 1.017 87 H CA 0.250 56.400 56.048 0.170 0.000 1.322 87 H CB 0.537 30.368 29.762 0.114 0.000 1.426 87 H HN 0.220 nan 8.280 nan 0.000 0.546 88 D N 1.318 121.869 120.400 0.252 0.000 2.472 88 D HA -0.043 4.597 4.640 -0.000 0.000 0.248 88 D C -1.661 174.692 176.300 0.088 0.000 1.174 88 D CA -1.576 52.506 54.000 0.136 0.000 0.883 88 D CB 1.365 42.213 40.800 0.079 0.000 1.149 88 D HN 0.090 nan 8.370 nan 0.000 0.488 89 P HA -0.220 nan 4.420 nan 0.000 0.218 89 P C 1.035 178.340 177.300 0.010 0.000 1.152 89 P CA 1.989 65.115 63.100 0.044 0.000 0.857 89 P CB 0.004 31.727 31.700 0.039 0.000 0.787 90 K N -1.674 118.714 120.400 -0.021 0.000 2.574 90 K HA -0.013 4.307 4.320 -0.000 0.000 0.193 90 K C 0.876 177.405 176.600 -0.119 0.000 1.035 90 K CA 1.117 57.367 56.287 -0.063 0.000 0.982 90 K CB -0.396 32.059 32.500 -0.075 0.000 0.795 90 K HN 0.134 nan 8.250 nan 0.000 0.491 91 N N 0.303 118.937 118.700 -0.111 0.000 2.193 91 N HA 0.022 4.762 4.740 -0.000 0.000 0.210 91 N C 1.434 176.966 175.510 0.037 0.000 1.215 91 N CA 0.124 53.088 53.050 -0.143 0.000 0.901 91 N CB 0.648 38.917 38.487 -0.362 0.000 1.060 91 N HN -0.055 nan 8.380 nan 0.000 0.508 92 V N 1.918 121.882 119.914 0.084 0.000 2.287 92 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 92 V C 2.452 178.605 176.094 0.098 0.000 1.053 92 V CA 1.957 64.344 62.300 0.145 0.000 1.027 92 V CB -0.358 31.537 31.823 0.120 0.000 0.646 92 V HN 0.364 nan 8.190 nan 0.000 0.447 93 E N -0.246 119.971 120.200 0.029 0.000 2.106 93 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 93 E C 2.181 178.761 176.600 -0.034 0.000 0.984 93 E CA 1.639 58.032 56.400 -0.011 0.000 0.806 93 E CB -0.125 29.558 29.700 -0.028 0.000 0.750 93 E HN 0.632 nan 8.360 nan 0.000 0.458 94 T N 0.580 115.112 114.554 -0.037 0.000 2.720 94 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 94 T C 1.835 176.471 174.700 -0.107 0.000 1.037 94 T CA 1.441 63.507 62.100 -0.057 0.000 1.144 94 T CB -0.331 68.520 68.868 -0.030 0.000 0.864 94 T HN 0.357 nan 8.240 nan 0.000 0.444 95 A N 1.173 123.915 122.820 -0.130 0.000 1.873 95 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 95 A C 2.239 179.814 177.584 -0.016 0.000 1.186 95 A CA 1.205 53.128 52.037 -0.190 0.000 0.616 95 A CB -0.820 18.066 19.000 -0.191 0.000 0.823 95 A HN 0.395 nan 8.150 nan 0.000 0.442 96 L N 0.536 121.761 121.223 0.004 0.000 2.083 96 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 96 L C 1.753 178.520 176.870 -0.171 0.000 1.083 96 L CA 2.156 56.889 54.840 -0.179 0.000 0.752 96 L CB -0.883 40.993 42.059 -0.305 0.000 0.899 96 L HN 0.325 nan 8.230 nan 0.000 0.433 97 N N -0.077 118.549 118.700 -0.123 0.000 2.166 97 N HA -0.206 4.534 4.740 -0.000 0.000 0.186 97 N C 1.823 177.265 175.510 -0.113 0.000 1.019 97 N CA 1.219 54.201 53.050 -0.112 0.000 0.856 97 N CB -0.228 38.206 38.487 -0.089 0.000 0.993 97 N HN 0.301 nan 8.380 nan 0.000 0.426 98 K N 0.739 121.062 120.400 -0.127 0.000 2.025 98 K HA 0.031 4.351 4.320 -0.000 0.000 0.207 98 K C 1.866 178.414 176.600 -0.087 0.000 1.049 98 K CA 1.436 57.627 56.287 -0.161 0.000 0.933 98 K CB -0.846 31.476 32.500 -0.297 0.000 0.714 98 K HN -0.013 nan 8.250 nan 0.000 0.438 99 T N 1.435 115.970 114.554 -0.032 0.000 2.708 99 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 99 T C 1.700 176.368 174.700 -0.053 0.000 1.037 99 T CA 1.643 63.752 62.100 0.014 0.000 1.146 99 T CB -0.238 68.652 68.868 0.036 0.000 0.865 99 T HN 0.136 nan 8.240 nan 0.000 0.435 100 L N 0.596 121.752 121.223 -0.112 0.000 2.046 100 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 100 L C 3.015 179.829 176.870 -0.093 0.000 1.077 100 L CA 1.306 56.072 54.840 -0.123 0.000 0.747 100 L CB -0.668 41.308 42.059 -0.138 0.000 0.896 100 L HN 0.244 nan 8.230 nan 0.000 0.432 101 A N -0.125 122.646 122.820 -0.081 0.000 1.873 101 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 101 A C 1.946 179.499 177.584 -0.052 0.000 1.186 101 A CA 1.904 53.900 52.037 -0.068 0.000 0.616 101 A CB -0.532 18.425 19.000 -0.073 0.000 0.823 101 A HN 0.336 nan 8.150 nan 0.000 0.442 102 D N 0.159 120.536 120.400 -0.037 0.000 2.104 102 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 102 D C 1.826 178.118 176.300 -0.014 0.000 0.994 102 D CA 1.139 55.134 54.000 -0.007 0.000 0.830 102 D CB -0.390 40.435 40.800 0.041 0.000 0.959 102 D HN 0.428 nan 8.370 nan 0.000 0.452 103 L N -0.102 121.106 121.223 -0.025 0.000 2.376 103 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 103 L C 0.366 177.195 176.870 -0.069 0.000 1.133 103 L CA 0.375 55.189 54.840 -0.043 0.000 0.816 103 L CB -0.290 41.736 42.059 -0.055 0.000 0.933 103 L HN 0.031 nan 8.230 nan 0.000 0.449 104 K N 0.181 120.539 120.400 -0.071 0.000 3.239 104 K HA -0.139 4.180 4.320 -0.000 0.000 0.270 104 K C -0.771 175.767 176.600 -0.104 0.000 1.049 104 K CA 0.489 56.730 56.287 -0.076 0.000 0.769 104 K CB -1.699 30.765 32.500 -0.061 0.000 1.305 104 K HN 0.312 nan 8.250 nan 0.000 0.469 105 V N -4.076 115.757 119.914 -0.134 0.000 3.159 105 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 105 V C 0.558 176.543 176.094 -0.181 0.000 1.190 105 V CA -0.878 61.303 62.300 -0.199 0.000 1.037 105 V CB 2.181 33.819 31.823 -0.310 0.000 1.060 105 V HN 0.017 nan 8.190 nan 0.000 0.437 106 D N 0.059 120.345 120.400 -0.189 0.000 2.305 106 D HA 0.174 4.814 4.640 -0.000 0.000 0.206 106 D C -0.053 176.247 176.300 0.000 0.000 0.974 106 D CA 1.951 55.916 54.000 -0.057 0.000 0.871 106 D CB 0.336 41.171 40.800 0.058 0.000 0.947 106 D HN 0.795 nan 8.370 nan 0.000 0.516 107 Y N -1.686 118.543 120.300 -0.120 0.000 2.656 107 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 107 Y C -1.109 174.689 175.900 -0.171 0.000 1.179 107 Y CA -1.736 56.270 58.100 -0.156 0.000 1.050 107 Y CB 0.770 39.140 38.460 -0.150 0.000 1.308 107 Y HN -0.251 nan 8.280 nan 0.000 0.456 108 V N -1.109 118.788 119.914 -0.028 0.000 2.667 108 V HA 0.468 4.588 4.120 -0.000 0.000 0.308 108 V C 0.040 176.132 176.094 -0.004 0.000 1.048 108 V CA -0.527 61.714 62.300 -0.099 0.000 0.928 108 V CB 1.986 33.737 31.823 -0.119 0.000 1.004 108 V HN 1.006 nan 8.190 nan 0.000 0.444 109 D N 1.200 121.475 120.400 -0.209 0.000 2.183 109 D HA 0.054 4.694 4.640 -0.000 0.000 0.203 109 D C 0.081 176.132 176.300 -0.415 0.000 0.969 109 D CA 1.545 55.224 54.000 -0.535 0.000 0.842 109 D CB 0.627 40.552 40.800 -1.458 0.000 0.957 109 D HN 0.421 nan 8.370 nan 0.000 0.484 110 L N 0.026 121.153 121.223 -0.160 0.000 2.505 110 L HA 0.377 4.717 4.340 -0.000 0.000 0.266 110 L C -1.967 175.055 176.870 0.252 0.000 0.954 110 L CA -0.710 54.206 54.840 0.126 0.000 0.852 110 L CB 2.182 44.459 42.059 0.363 0.000 1.282 110 L HN -0.310 nan 8.230 nan 0.000 0.403 111 F N 5.724 125.687 119.950 0.023 0.000 2.460 111 F HA 0.698 5.225 4.527 -0.000 0.000 0.341 111 F C -1.260 174.561 175.800 0.036 0.000 1.130 111 F CA -0.908 57.102 58.000 0.018 0.000 0.962 111 F CB 1.301 40.292 39.000 -0.015 0.000 1.171 111 F HN 0.330 nan 8.300 nan 0.000 0.436 112 L N 6.144 127.238 121.223 -0.215 0.000 2.334 112 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 112 L C -0.236 176.467 176.870 -0.278 0.000 1.013 112 L CA -1.102 53.632 54.840 -0.177 0.000 0.816 112 L CB 2.189 44.190 42.059 -0.096 0.000 1.278 112 L HN 0.406 nan 8.230 nan 0.000 0.431 113 I N 1.579 122.082 120.570 -0.111 0.000 2.421 113 I HA -0.026 4.144 4.170 -0.000 0.000 0.291 113 I C 1.324 177.509 176.117 0.114 0.000 1.089 113 I CA 0.150 61.441 61.300 -0.016 0.000 1.354 113 I CB 0.548 38.602 38.000 0.090 0.000 1.413 113 I HN 0.715 nan 8.210 nan 0.000 0.513 114 H N 5.972 125.083 119.070 0.068 0.000 2.319 114 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 114 H C -0.276 175.013 175.328 -0.065 0.000 1.092 114 H CA 1.414 57.506 56.048 0.073 0.000 1.302 114 H CB 0.388 30.352 29.762 0.337 0.000 1.373 114 H HN 0.417 nan 8.280 nan 0.000 0.497 115 F N -1.280 118.873 119.950 0.338 0.000 2.601 115 F HA 0.279 4.806 4.527 -0.000 0.000 0.309 115 F C -2.138 173.775 175.800 0.188 0.000 1.089 115 F CA -2.529 55.592 58.000 0.202 0.000 0.940 115 F CB 2.078 41.069 39.000 -0.015 0.000 1.273 115 F HN -0.098 nan 8.300 nan 0.000 0.450 116 P HA 0.255 nan 4.420 nan 0.000 0.220 116 P C -0.699 176.537 177.300 -0.107 0.000 1.778 116 P CA 0.682 63.749 63.100 -0.055 0.000 0.912 116 P CB -0.176 31.106 31.700 -0.697 0.000 1.861 117 I N 0.216 120.716 120.570 -0.116 0.000 2.569 117 I HA 0.532 4.702 4.170 -0.000 0.000 0.290 117 I C -0.275 175.433 176.117 -0.682 0.000 1.088 117 I CA -1.173 59.923 61.300 -0.340 0.000 1.047 117 I CB 2.625 40.388 38.000 -0.395 0.000 1.237 117 I HN -0.066 nan 8.210 nan 0.000 0.421 118 A N 6.349 128.913 122.820 -0.427 0.000 2.328 118 A HA 0.701 5.021 4.320 -0.000 0.000 0.318 118 A C -0.776 176.828 177.584 0.033 0.000 1.347 118 A CA -0.331 51.445 52.037 -0.435 0.000 0.842 118 A CB 0.041 18.952 19.000 -0.149 0.000 1.148 118 A HN 0.428 nan 8.150 nan 0.000 0.499 119 F N 0.969 120.832 119.950 -0.145 0.000 2.406 119 F HA 0.402 4.929 4.527 -0.000 0.000 0.327 119 F C 1.001 176.755 175.800 -0.075 0.000 1.153 119 F CA -0.854 57.071 58.000 -0.126 0.000 1.218 119 F CB 0.778 39.659 39.000 -0.198 0.000 1.215 119 F HN 0.558 nan 8.300 nan 0.000 0.570 120 K N 1.603 122.053 120.400 0.083 0.000 2.489 120 K HA 0.025 4.345 4.320 -0.000 0.000 0.278 120 K C -0.725 175.946 176.600 0.118 0.000 1.000 120 K CA 0.023 56.346 56.287 0.061 0.000 1.012 120 K CB -0.173 32.282 32.500 -0.074 0.000 0.903 120 K HN 0.346 nan 8.250 nan 0.000 0.485 121 F N 4.664 124.655 119.950 0.069 0.000 2.563 121 F HA 0.287 4.814 4.527 -0.000 0.000 0.363 121 F C -0.626 175.244 175.800 0.117 0.000 1.123 121 F CA 0.014 58.093 58.000 0.131 0.000 1.307 121 F CB 0.526 39.628 39.000 0.170 0.000 1.115 121 F HN 0.179 nan 8.300 nan 0.000 0.592 122 V N 7.638 127.065 119.914 -0.812 0.000 2.525 122 V HA 0.306 4.426 4.120 -0.000 0.000 0.299 122 V C -2.207 173.376 176.094 -0.851 0.000 1.034 122 V CA -1.911 60.051 62.300 -0.563 0.000 0.863 122 V CB 1.710 33.460 31.823 -0.122 0.000 0.999 122 V HN 0.671 nan 8.190 nan 0.000 0.423 123 P HA 0.202 nan 4.420 nan 0.000 0.266 123 P C 1.110 178.409 177.300 -0.003 0.000 1.193 123 P CA 0.188 63.154 63.100 -0.222 0.000 0.770 123 P CB 0.771 32.482 31.700 0.018 0.000 0.836 124 I N 1.398 122.030 120.570 0.103 0.000 2.286 124 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 124 I C 1.614 177.781 176.117 0.083 0.000 1.115 124 I CA 1.629 62.996 61.300 0.112 0.000 1.392 124 I CB -0.426 37.532 38.000 -0.070 0.000 1.065 124 I HN 0.393 nan 8.210 nan 0.000 0.418 125 E N 0.437 120.668 120.200 0.052 0.000 2.268 125 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 125 E C 1.845 178.473 176.600 0.047 0.000 0.995 125 E CA 0.733 57.157 56.400 0.040 0.000 0.836 125 E CB -0.136 29.585 29.700 0.034 0.000 0.763 125 E HN 0.380 nan 8.360 nan 0.000 0.491 126 E N 0.871 121.105 120.200 0.055 0.000 2.046 126 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 126 E C 0.159 176.779 176.600 0.034 0.000 0.982 126 E CA 1.046 57.473 56.400 0.046 0.000 0.800 126 E CB 0.327 30.065 29.700 0.063 0.000 0.756 126 E HN -0.004 nan 8.360 nan 0.000 0.449 127 K N -1.073 119.380 120.400 0.088 0.000 2.575 127 K HA 0.216 4.536 4.320 -0.000 0.000 0.255 127 K C -2.207 174.519 176.600 0.211 0.000 0.953 127 K CA -0.692 55.640 56.287 0.074 0.000 0.840 127 K CB 0.835 33.312 32.500 -0.038 0.000 1.303 127 K HN 0.056 nan 8.250 nan 0.000 0.438 128 Y N 4.454 124.771 120.300 0.029 0.000 2.399 128 Y HA 0.396 4.946 4.550 -0.000 0.000 0.327 128 Y C -2.428 173.486 175.900 0.022 0.000 1.111 128 Y CA -1.376 56.761 58.100 0.063 0.000 1.047 128 Y CB 1.482 39.992 38.460 0.083 0.000 1.259 128 Y HN 0.516 nan 8.280 nan 0.000 0.434 129 P HA 0.313 nan 4.420 nan 0.000 0.278 129 P C -2.471 174.650 177.300 -0.298 0.000 1.238 129 P CA -1.359 61.258 63.100 -0.804 0.000 0.794 129 P CB 1.558 32.773 31.700 -0.808 0.000 0.955 130 P HA -0.132 nan 4.420 nan 0.000 0.221 130 P C 1.048 178.365 177.300 0.027 0.000 1.150 130 P CA 1.546 64.689 63.100 0.072 0.000 0.800 130 P CB -0.164 31.680 31.700 0.239 0.000 0.787 131 G N 0.777 109.479 108.800 -0.163 0.000 2.583 131 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.292 131 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.292 131 G C 0.330 175.377 174.900 0.245 0.000 1.203 131 G CA 0.352 45.309 45.100 -0.238 0.000 0.987 131 G HN 0.156 nan 8.290 nan 0.000 0.554 132 F N 0.796 120.772 119.950 0.044 0.000 2.797 132 F HA 0.342 4.869 4.527 -0.000 0.000 0.302 132 F C 1.105 176.620 175.800 -0.474 0.000 1.130 132 F CA -0.380 57.498 58.000 -0.204 0.000 1.387 132 F CB -0.768 38.055 39.000 -0.296 0.000 1.107 132 F HN 0.389 nan 8.300 nan 0.000 0.577 133 Y N -0.080 120.116 120.300 -0.173 0.000 2.465 133 Y HA 0.167 4.717 4.550 -0.000 0.000 0.331 133 Y C 0.445 176.175 175.900 -0.284 0.000 1.102 133 Y CA -0.756 57.195 58.100 -0.249 0.000 1.358 133 Y CB 0.594 38.966 38.460 -0.146 0.000 1.213 133 Y HN 0.049 nan 8.280 nan 0.000 0.525 134 C N 5.071 123.784 119.300 -0.978 0.000 2.849 134 C HA 0.376 4.836 4.460 -0.000 0.000 0.271 134 C C 1.305 175.786 174.990 -0.847 0.000 1.519 134 C CA -0.101 58.440 59.018 -0.795 0.000 1.783 134 C CB -0.609 26.700 27.740 -0.718 0.000 2.869 134 C HN 1.253 nan 8.230 nan 0.000 0.527 135 G N 2.057 109.937 108.800 -1.533 0.000 2.143 135 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 135 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 135 G C -0.342 174.301 174.900 -0.428 0.000 0.991 135 G CA 0.795 45.398 45.100 -0.829 0.000 0.689 135 G HN 0.599 nan 8.290 nan 0.000 0.522 136 D N -1.152 118.967 120.400 -0.468 0.000 2.752 136 D HA 0.568 5.208 4.640 -0.000 0.000 0.242 136 D C 1.138 177.368 176.300 -0.116 0.000 1.295 136 D CA 1.451 55.340 54.000 -0.185 0.000 0.846 136 D CB -0.057 40.636 40.800 -0.178 0.000 1.454 136 D HN 1.399 nan 8.370 nan 0.000 0.535 137 G N 2.973 111.796 108.800 0.040 0.000 2.596 137 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.295 137 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.295 137 G C 0.693 175.594 174.900 0.001 0.000 1.240 137 G CA 0.212 45.337 45.100 0.043 0.000 0.985 137 G HN 0.492 nan 8.290 nan 0.000 0.555 138 N N 2.203 120.862 118.700 -0.067 0.000 2.268 138 N HA 0.071 4.811 4.740 -0.000 0.000 0.204 138 N C 0.215 175.561 175.510 -0.274 0.000 1.124 138 N CA 0.025 52.987 53.050 -0.147 0.000 0.838 138 N CB -0.120 38.316 38.487 -0.085 0.000 0.994 138 N HN 0.437 nan 8.380 nan 0.000 0.489 139 N N 0.682 119.239 118.700 -0.238 0.000 2.530 139 N HA 0.118 4.858 4.740 -0.000 0.000 0.273 139 N C -0.329 174.931 175.510 -0.416 0.000 1.173 139 N CA 0.103 53.022 53.050 -0.218 0.000 0.967 139 N CB 0.593 39.000 38.487 -0.133 0.000 1.109 139 N HN -0.063 nan 8.380 nan 0.000 0.453 140 F N 0.548 120.297 119.950 -0.335 0.000 2.410 140 F HA 0.319 4.846 4.527 -0.000 0.000 0.348 140 F C 0.573 175.999 175.800 -0.624 0.000 1.106 140 F CA -0.480 57.172 58.000 -0.580 0.000 1.163 140 F CB 0.913 39.604 39.000 -0.516 0.000 1.129 140 F HN -0.015 nan 8.300 nan 0.000 0.516 141 V N 3.940 123.468 119.914 -0.644 0.000 2.709 141 V HA 0.453 4.573 4.120 -0.000 0.000 0.308 141 V C -0.975 174.784 176.094 -0.558 0.000 1.062 141 V CA -1.180 60.846 62.300 -0.457 0.000 0.901 141 V CB 1.779 33.441 31.823 -0.269 0.000 1.003 141 V HN 0.543 nan 8.190 nan 0.000 0.425 142 Y N 1.014 121.347 120.300 0.055 0.000 2.630 142 Y HA 0.692 5.241 4.550 -0.000 0.000 0.337 142 Y C 0.285 176.220 175.900 0.059 0.000 1.051 142 Y CA -1.054 57.099 58.100 0.088 0.000 1.121 142 Y CB 1.569 40.072 38.460 0.073 0.000 1.299 142 Y HN 0.559 nan 8.280 nan 0.000 0.498 143 E N 0.198 120.537 120.200 0.233 0.000 2.277 143 E HA 0.237 4.587 4.350 -0.000 0.000 0.266 143 E C -1.465 175.209 176.600 0.122 0.000 0.901 143 E CA -0.940 55.551 56.400 0.151 0.000 0.782 143 E CB 1.405 31.193 29.700 0.146 0.000 1.228 143 E HN 0.469 nan 8.360 nan 0.000 0.424 144 D N 1.973 122.428 120.400 0.093 0.000 2.688 144 D HA 0.100 4.740 4.640 -0.000 0.000 0.228 144 D C -0.824 175.521 176.300 0.075 0.000 1.116 144 D CA 0.254 54.295 54.000 0.068 0.000 1.023 144 D CB 0.198 41.030 40.800 0.053 0.000 1.100 144 D HN 0.001 nan 8.370 nan 0.000 0.487 145 V N 2.877 122.847 119.914 0.094 0.000 2.304 145 V HA 0.223 4.343 4.120 -0.000 0.000 0.278 145 V C -1.989 174.177 176.094 0.121 0.000 1.018 145 V CA -1.700 60.670 62.300 0.116 0.000 0.814 145 V CB 1.422 33.343 31.823 0.164 0.000 1.021 145 V HN 0.103 nan 8.190 nan 0.000 0.440 146 P HA 0.155 nan 4.420 nan 0.000 0.267 146 P C 1.303 178.679 177.300 0.128 0.000 1.200 146 P CA -0.235 62.915 63.100 0.083 0.000 0.772 146 P CB 0.667 32.406 31.700 0.064 0.000 0.855 147 I N 1.783 122.429 120.570 0.127 0.000 2.145 147 I HA -0.230 3.940 4.170 -0.000 0.000 0.244 147 I C 2.045 178.293 176.117 0.218 0.000 1.075 147 I CA 1.656 63.072 61.300 0.193 0.000 1.332 147 I CB -1.292 36.819 38.000 0.186 0.000 1.033 147 I HN 0.409 nan 8.210 nan 0.000 0.410 148 L N 0.924 122.249 121.223 0.169 0.000 2.079 148 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 148 L C 2.496 179.493 176.870 0.212 0.000 1.081 148 L CA 1.822 56.781 54.840 0.198 0.000 0.752 148 L CB -0.668 41.466 42.059 0.125 0.000 0.896 148 L HN 0.179 nan 8.230 nan 0.000 0.433 149 E N -0.687 119.605 120.200 0.155 0.000 2.031 149 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 149 E C 2.109 178.789 176.600 0.132 0.000 0.994 149 E CA 1.924 58.400 56.400 0.127 0.000 0.800 149 E CB -0.652 29.110 29.700 0.105 0.000 0.752 149 E HN 0.516 nan 8.360 nan 0.000 0.447 150 T N 1.083 115.725 114.554 0.147 0.000 2.720 150 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 150 T C 1.428 176.204 174.700 0.128 0.000 1.037 150 T CA 1.098 63.262 62.100 0.106 0.000 1.144 150 T CB -0.350 68.534 68.868 0.027 0.000 0.864 150 T HN 0.390 nan 8.240 nan 0.000 0.444 151 W N 2.284 123.596 121.300 0.021 0.000 2.358 151 W HA -0.097 4.563 4.660 -0.000 0.000 0.303 151 W C 1.925 178.461 176.519 0.029 0.000 1.208 151 W CA 1.117 58.474 57.345 0.020 0.000 1.274 151 W CB -0.170 29.308 29.460 0.030 0.000 1.138 151 W HN 0.263 nan 8.180 nan 0.000 0.515 152 K N 0.093 120.568 120.400 0.126 0.000 2.097 152 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 152 K C 2.245 178.813 176.600 -0.054 0.000 1.049 152 K CA 1.503 57.808 56.287 0.030 0.000 0.933 152 K CB -0.471 32.078 32.500 0.082 0.000 0.717 152 K HN 0.075 nan 8.250 nan 0.000 0.442 153 A N 1.335 124.137 122.820 -0.030 0.000 1.933 153 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 153 A C 2.079 179.609 177.584 -0.088 0.000 1.175 153 A CA 1.203 53.220 52.037 -0.034 0.000 0.628 153 A CB -0.519 18.486 19.000 0.009 0.000 0.814 153 A HN 0.159 nan 8.150 nan 0.000 0.444 154 L N -0.781 120.336 121.223 -0.178 0.000 2.156 154 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 154 L C 2.528 179.205 176.870 -0.322 0.000 1.095 154 L CA 1.282 55.972 54.840 -0.251 0.000 0.770 154 L CB -0.506 41.292 42.059 -0.435 0.000 0.914 154 L HN 0.477 nan 8.230 nan 0.000 0.439 155 E N 0.269 120.234 120.200 -0.391 0.000 2.072 155 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 155 E C 2.113 178.627 176.600 -0.144 0.000 0.985 155 E CA 0.992 57.225 56.400 -0.278 0.000 0.801 155 E CB 0.009 29.585 29.700 -0.206 0.000 0.750 155 E HN 0.430 nan 8.360 nan 0.000 0.452 156 K N 0.593 120.927 120.400 -0.109 0.000 2.097 156 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 156 K C 2.128 178.687 176.600 -0.069 0.000 1.049 156 K CA 0.849 57.096 56.287 -0.068 0.000 0.933 156 K CB -0.070 32.402 32.500 -0.047 0.000 0.717 156 K HN 0.121 nan 8.250 nan 0.000 0.442 157 L N 0.482 121.656 121.223 -0.082 0.000 2.291 157 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 157 L C 2.166 178.985 176.870 -0.085 0.000 1.120 157 L CA 0.391 55.184 54.840 -0.078 0.000 0.799 157 L CB -0.176 41.838 42.059 -0.075 0.000 0.925 157 L HN -0.039 nan 8.230 nan 0.000 0.446 158 V N -0.011 119.845 119.914 -0.096 0.000 2.453 158 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 158 V C 2.662 178.716 176.094 -0.066 0.000 1.048 158 V CA 1.683 63.932 62.300 -0.084 0.000 1.049 158 V CB -0.529 31.242 31.823 -0.086 0.000 0.672 158 V HN 0.465 nan 8.190 nan 0.000 0.457 159 A N -0.094 122.690 122.820 -0.060 0.000 2.014 159 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 159 A C 2.193 179.750 177.584 -0.046 0.000 1.163 159 A CA 1.457 53.467 52.037 -0.046 0.000 0.652 159 A CB -0.459 18.518 19.000 -0.038 0.000 0.808 159 A HN 0.553 nan 8.150 nan 0.000 0.449 160 A N -1.458 121.331 122.820 -0.051 0.000 2.235 160 A HA 0.400 4.720 4.320 -0.000 0.000 0.208 160 A C 1.782 179.336 177.584 -0.050 0.000 1.172 160 A CA 1.130 53.139 52.037 -0.047 0.000 0.786 160 A CB -1.095 17.876 19.000 -0.048 0.000 0.804 160 A HN 1.805 nan 8.150 nan 0.000 0.479 161 G N -0.443 108.320 108.800 -0.062 0.000 2.155 161 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 161 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 161 G C 0.830 175.692 174.900 -0.063 0.000 0.983 161 G CA 0.906 45.960 45.100 -0.077 0.000 0.676 161 G HN 0.570 nan 8.290 nan 0.000 0.528 162 K N -0.727 119.639 120.400 -0.058 0.000 2.393 162 K HA 0.422 4.742 4.320 -0.000 0.000 0.193 162 K C 0.687 177.255 176.600 -0.054 0.000 1.026 162 K CA 0.522 56.783 56.287 -0.043 0.000 1.064 162 K CB 0.453 32.897 32.500 -0.093 0.000 0.833 162 K HN 0.521 nan 8.250 nan 0.000 0.521 163 I N 0.520 121.043 120.570 -0.079 0.000 2.607 163 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 163 I C 0.404 176.455 176.117 -0.110 0.000 1.129 163 I CA -0.747 60.507 61.300 -0.077 0.000 1.042 163 I CB 2.147 40.105 38.000 -0.069 0.000 1.242 163 I HN -0.267 nan 8.210 nan 0.000 0.421 164 K N 2.256 122.559 120.400 -0.161 0.000 2.021 164 K HA 0.202 4.522 4.320 -0.000 0.000 0.205 164 K C 0.279 176.845 176.600 -0.057 0.000 1.047 164 K CA 0.938 57.058 56.287 -0.278 0.000 0.943 164 K CB 0.115 32.255 32.500 -0.600 0.000 0.725 164 K HN 0.591 nan 8.250 nan 0.000 0.439 165 S N 0.240 115.938 115.700 -0.004 0.000 2.549 165 S HA 0.578 5.048 4.470 -0.000 0.000 0.280 165 S C -0.223 174.441 174.600 0.107 0.000 1.109 165 S CA -0.956 57.312 58.200 0.114 0.000 0.905 165 S CB 2.143 65.474 63.200 0.218 0.000 1.081 165 S HN 0.242 nan 8.310 nan 0.000 0.477 166 I N -0.839 119.795 120.570 0.107 0.000 2.740 166 I HA 1.040 5.210 4.170 -0.000 0.000 0.303 166 I C 0.179 176.465 176.117 0.282 0.000 1.044 166 I CA -0.837 60.519 61.300 0.094 0.000 1.064 166 I CB 1.891 39.753 38.000 -0.230 0.000 1.249 166 I HN 0.762 nan 8.210 nan 0.000 0.433 167 G N 2.784 111.755 108.800 0.284 0.000 2.706 167 G HA2 0.696 4.656 3.960 -0.000 0.000 0.307 167 G HA3 0.696 4.656 3.960 -0.000 0.000 0.307 167 G C -1.192 173.770 174.900 0.103 0.000 1.307 167 G CA -0.321 44.921 45.100 0.237 0.000 0.790 167 G HN 1.015 nan 8.290 nan 0.000 0.503 168 V N -2.793 117.035 119.914 -0.143 0.000 3.040 168 V HA 0.930 5.050 4.120 -0.000 0.000 0.312 168 V C -0.366 175.611 176.094 -0.195 0.000 1.115 168 V CA -0.728 61.342 62.300 -0.384 0.000 0.998 168 V CB 1.411 32.491 31.823 -1.238 0.000 1.042 168 V HN 1.248 nan 8.190 nan 0.000 0.433 169 S N 1.807 117.461 115.700 -0.076 0.000 2.536 169 S HA 0.572 5.042 4.470 -0.000 0.000 0.287 169 S C -0.067 174.670 174.600 0.228 0.000 1.101 169 S CA -0.197 58.046 58.200 0.071 0.000 0.950 169 S CB 0.934 64.136 63.200 0.003 0.000 1.056 169 S HN 1.258 nan 8.310 nan 0.000 0.481 170 N N 1.199 120.069 118.700 0.283 0.000 2.735 170 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 170 N C -1.356 174.422 175.510 0.446 0.000 1.083 170 N CA 0.822 54.119 53.050 0.411 0.000 0.703 170 N CB -1.531 37.090 38.487 0.222 0.000 1.005 170 N HN 0.462 nan 8.380 nan 0.000 0.550 171 F N 1.536 121.567 119.950 0.135 0.000 2.415 171 F HA 0.430 4.957 4.527 -0.000 0.000 0.348 171 F C -1.403 174.467 175.800 0.115 0.000 1.119 171 F CA -2.093 55.950 58.000 0.071 0.000 1.069 171 F CB 1.022 40.038 39.000 0.027 0.000 1.124 171 F HN -0.080 nan 8.300 nan 0.000 0.472 172 P HA 0.179 nan 4.420 nan 0.000 0.277 172 P C 0.669 178.028 177.300 0.098 0.000 1.271 172 P CA -0.205 62.988 63.100 0.156 0.000 0.795 172 P CB 0.914 32.662 31.700 0.080 0.000 1.101 173 G N 0.463 109.289 108.800 0.043 0.000 2.476 173 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 173 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 173 G C 1.630 176.450 174.900 -0.134 0.000 1.164 173 G CA 1.190 46.258 45.100 -0.053 0.000 0.768 173 G HN 0.604 nan 8.290 nan 0.000 0.560 174 A N 0.049 122.797 122.820 -0.121 0.000 1.933 174 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 174 A C 2.358 179.891 177.584 -0.084 0.000 1.175 174 A CA 1.641 53.602 52.037 -0.127 0.000 0.628 174 A CB -0.381 18.552 19.000 -0.112 0.000 0.814 174 A HN 0.382 nan 8.150 nan 0.000 0.444 175 L N -0.897 120.287 121.223 -0.065 0.000 2.056 175 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 175 L C 2.256 179.188 176.870 0.102 0.000 1.078 175 L CA 1.767 56.571 54.840 -0.060 0.000 0.749 175 L CB -0.624 41.288 42.059 -0.245 0.000 0.901 175 L HN 0.390 nan 8.230 nan 0.000 0.433 176 L N -1.131 120.210 121.223 0.197 0.000 2.046 176 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 176 L C 2.303 179.252 176.870 0.131 0.000 1.077 176 L CA 1.706 56.682 54.840 0.228 0.000 0.747 176 L CB -0.826 41.391 42.059 0.263 0.000 0.896 176 L HN 0.333 nan 8.230 nan 0.000 0.432 177 L N -0.184 121.083 121.223 0.072 0.000 2.012 177 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 177 L C 2.167 179.048 176.870 0.019 0.000 1.073 177 L CA 2.360 57.225 54.840 0.042 0.000 0.748 177 L CB -1.018 40.958 42.059 -0.139 0.000 0.891 177 L HN 0.484 nan 8.230 nan 0.000 0.431 178 D N -1.170 119.225 120.400 -0.009 0.000 2.117 178 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 178 D C 2.138 178.426 176.300 -0.019 0.000 0.987 178 D CA 1.333 55.324 54.000 -0.015 0.000 0.829 178 D CB -0.148 40.637 40.800 -0.024 0.000 0.961 178 D HN 0.307 nan 8.370 nan 0.000 0.460 179 L N 0.254 121.462 121.223 -0.026 0.000 2.046 179 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 179 L C 2.025 178.796 176.870 -0.164 0.000 1.077 179 L CA 1.480 56.247 54.840 -0.121 0.000 0.747 179 L CB -0.573 41.368 42.059 -0.195 0.000 0.896 179 L HN 0.187 nan 8.230 nan 0.000 0.432 180 L N -0.821 120.344 121.223 -0.096 0.000 2.127 180 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 180 L C 2.707 179.560 176.870 -0.029 0.000 1.089 180 L CA 1.203 56.004 54.840 -0.065 0.000 0.757 180 L CB -0.485 41.581 42.059 0.013 0.000 0.899 180 L HN 0.293 nan 8.230 nan 0.000 0.434 181 R N -0.507 119.985 120.500 -0.014 0.000 2.115 181 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 181 R C 2.142 178.445 176.300 0.006 0.000 1.100 181 R CA 1.154 57.255 56.100 0.001 0.000 0.980 181 R CB -0.363 29.938 30.300 0.002 0.000 0.875 181 R HN 0.377 nan 8.270 nan 0.000 0.445 182 G N 0.182 108.980 108.800 -0.003 0.000 2.921 182 G HA2 0.209 4.169 3.960 -0.000 0.000 0.213 182 G HA3 0.209 4.169 3.960 -0.000 0.000 0.213 182 G C 0.220 175.156 174.900 0.060 0.000 1.143 182 G CA 0.037 45.153 45.100 0.027 0.000 0.764 182 G HN 0.300 nan 8.290 nan 0.000 0.542 183 A N 0.082 122.912 122.820 0.017 0.000 2.401 183 A HA 0.555 4.875 4.320 -0.000 0.000 0.259 183 A C 1.329 179.011 177.584 0.163 0.000 1.103 183 A CA 0.370 52.479 52.037 0.121 0.000 0.789 183 A CB 0.632 19.599 19.000 -0.055 0.000 1.035 183 A HN 0.084 nan 8.150 nan 0.000 0.491 184 T N 2.093 116.787 114.554 0.233 0.000 2.953 184 T HA 0.169 4.519 4.350 -0.000 0.000 0.247 184 T C 0.628 175.424 174.700 0.161 0.000 1.029 184 T CA 0.861 63.050 62.100 0.148 0.000 1.144 184 T CB -0.156 68.781 68.868 0.114 0.000 0.870 184 T HN 0.529 nan 8.240 nan 0.000 0.446 185 I N 2.675 123.396 120.570 0.252 0.000 2.307 185 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 185 I C -0.222 176.127 176.117 0.386 0.000 1.021 185 I CA -0.950 60.494 61.300 0.240 0.000 1.224 185 I CB 0.990 39.090 38.000 0.167 0.000 1.376 185 I HN -0.157 nan 8.210 nan 0.000 0.470 186 K N 8.004 128.535 120.400 0.217 0.000 2.401 186 K HA 0.218 4.538 4.320 -0.000 0.000 0.278 186 K C -2.211 174.512 176.600 0.205 0.000 1.018 186 K CA -1.812 54.557 56.287 0.137 0.000 0.981 186 K CB 0.133 32.656 32.500 0.039 0.000 0.933 186 K HN 0.302 nan 8.250 nan 0.000 0.477 187 P HA -0.025 nan 4.420 nan 0.000 0.262 187 P C -0.062 177.284 177.300 0.076 0.000 1.199 187 P CA 0.175 63.336 63.100 0.101 0.000 0.763 187 P CB 0.632 32.120 31.700 -0.352 0.000 0.790 188 A N 4.192 127.102 122.820 0.150 0.000 2.067 188 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 188 A C 0.926 178.541 177.584 0.051 0.000 1.156 188 A CA 1.058 53.151 52.037 0.093 0.000 0.683 188 A CB 0.060 19.143 19.000 0.138 0.000 0.808 188 A HN 0.447 nan 8.150 nan 0.000 0.455 189 V N -0.826 119.120 119.914 0.053 0.000 3.007 189 V HA 0.539 4.659 4.120 -0.000 0.000 0.311 189 V C -1.301 174.778 176.094 -0.025 0.000 1.120 189 V CA -0.677 61.633 62.300 0.018 0.000 0.980 189 V CB 1.940 33.799 31.823 0.059 0.000 1.033 189 V HN 0.308 nan 8.190 nan 0.000 0.429 190 L N 3.152 124.354 121.223 -0.033 0.000 2.415 190 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 190 L C -0.496 176.375 176.870 0.001 0.000 0.984 190 L CA 0.043 54.862 54.840 -0.035 0.000 0.853 190 L CB 1.539 43.578 42.059 -0.033 0.000 1.215 190 L HN 0.820 nan 8.230 nan 0.000 0.419 191 Q N 4.738 124.563 119.800 0.042 0.000 2.368 191 Q HA 0.689 5.029 4.340 -0.000 0.000 0.256 191 Q C -1.250 174.859 176.000 0.182 0.000 0.980 191 Q CA -0.589 55.282 55.803 0.113 0.000 0.887 191 Q CB 1.214 30.037 28.738 0.142 0.000 1.221 191 Q HN 0.667 nan 8.270 nan 0.000 0.458 192 V N 0.240 120.186 119.914 0.052 0.000 3.102 192 V HA 0.543 4.663 4.120 -0.000 0.000 0.312 192 V C -0.505 175.158 176.094 -0.718 0.000 1.135 192 V CA -1.238 60.998 62.300 -0.108 0.000 1.022 192 V CB 1.783 33.580 31.823 -0.043 0.000 1.056 192 V HN 0.835 nan 8.190 nan 0.000 0.436 193 E N 1.005 120.588 120.200 -1.027 0.000 2.376 193 E HA 0.257 4.607 4.350 -0.000 0.000 0.266 193 E C -1.183 175.167 176.600 -0.416 0.000 1.009 193 E CA 0.169 55.939 56.400 -1.050 0.000 0.902 193 E CB 0.239 29.671 29.700 -0.446 0.000 0.972 193 E HN 0.928 nan 8.360 nan 0.000 0.439 194 H N 3.789 122.642 119.070 -0.362 0.000 3.224 194 H HA 0.297 4.853 4.556 -0.000 0.000 0.331 194 H C -1.619 173.727 175.328 0.030 0.000 1.002 194 H CA -0.515 55.405 56.048 -0.213 0.000 1.473 194 H CB 0.485 30.164 29.762 -0.137 0.000 1.830 194 H HN 0.671 nan 8.280 nan 0.000 0.485 195 H N 1.651 120.623 119.070 -0.162 0.000 3.014 195 H HA 0.305 4.861 4.556 -0.000 0.000 0.337 195 H C -2.708 172.479 175.328 -0.235 0.000 1.320 195 H CA -2.501 53.514 56.048 -0.055 0.000 1.128 195 H CB 0.437 30.201 29.762 0.002 0.000 1.862 195 H HN 0.243 nan 8.280 nan 0.000 0.536 196 P HA -0.199 nan 4.420 nan 0.000 0.218 196 P C 0.369 177.562 177.300 -0.178 0.000 1.146 196 P CA 1.599 64.326 63.100 -0.621 0.000 0.820 196 P CB -0.053 31.113 31.700 -0.890 0.000 0.778 197 Y N -2.231 118.183 120.300 0.190 0.000 2.517 197 Y HA 0.253 4.803 4.550 -0.000 0.000 0.281 197 Y C 1.189 177.109 175.900 0.035 0.000 1.125 197 Y CA -0.130 58.059 58.100 0.149 0.000 1.283 197 Y CB -0.191 38.397 38.460 0.213 0.000 1.042 197 Y HN -0.124 nan 8.280 nan 0.000 0.547 198 L N 0.259 121.463 121.223 -0.032 0.000 2.470 198 L HA 0.331 4.671 4.340 -0.000 0.000 0.256 198 L C 0.325 177.034 176.870 -0.268 0.000 1.357 198 L CA 0.109 54.803 54.840 -0.243 0.000 0.902 198 L CB 0.740 42.523 42.059 -0.460 0.000 1.121 198 L HN -0.010 nan 8.230 nan 0.000 0.507 199 Q N 0.693 120.445 119.800 -0.079 0.000 2.269 199 Q HA 0.075 4.415 4.340 -0.000 0.000 0.201 199 Q C -0.053 176.009 176.000 0.103 0.000 0.946 199 Q CA 0.405 56.224 55.803 0.026 0.000 0.877 199 Q CB 0.124 28.975 28.738 0.188 0.000 0.963 199 Q HN 0.660 nan 8.270 nan 0.000 0.472 200 Q N 0.508 120.328 119.800 0.035 0.000 2.406 200 Q HA -0.196 4.144 4.340 -0.000 0.000 0.339 200 Q C -1.762 174.271 176.000 0.055 0.000 1.337 200 Q CA 0.229 56.050 55.803 0.031 0.000 0.985 200 Q CB -0.975 27.769 28.738 0.009 0.000 1.216 200 Q HN 0.416 nan 8.270 nan 0.000 0.415 201 P HA -0.244 nan 4.420 nan 0.000 0.216 201 P C 0.731 178.042 177.300 0.017 0.000 1.154 201 P CA 1.469 64.591 63.100 0.036 0.000 0.865 201 P CB 0.093 31.817 31.700 0.039 0.000 0.789 202 K N -0.892 119.523 120.400 0.024 0.000 2.097 202 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 202 K C 2.267 178.907 176.600 0.068 0.000 1.050 202 K CA 0.769 57.076 56.287 0.033 0.000 0.938 202 K CB -0.657 31.853 32.500 0.017 0.000 0.718 202 K HN 0.078 nan 8.250 nan 0.000 0.442 203 L N 1.498 122.756 121.223 0.059 0.000 2.056 203 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 203 L C 1.905 178.829 176.870 0.090 0.000 1.078 203 L CA 1.502 56.402 54.840 0.099 0.000 0.749 203 L CB -0.293 41.807 42.059 0.069 0.000 0.901 203 L HN 0.061 nan 8.230 nan 0.000 0.433 204 I N 0.032 120.607 120.570 0.008 0.000 2.163 204 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 204 I C 2.565 178.641 176.117 -0.068 0.000 1.085 204 I CA 1.726 62.982 61.300 -0.075 0.000 1.347 204 I CB -1.335 36.579 38.000 -0.144 0.000 1.044 204 I HN 0.524 nan 8.210 nan 0.000 0.408 205 E N 0.580 120.761 120.200 -0.031 0.000 2.077 205 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 205 E C 2.342 178.936 176.600 -0.011 0.000 0.989 205 E CA 1.299 57.679 56.400 -0.034 0.000 0.800 205 E CB -0.245 29.450 29.700 -0.009 0.000 0.746 205 E HN 0.351 nan 8.360 nan 0.000 0.452 206 F N 1.169 121.085 119.950 -0.056 0.000 2.113 206 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 206 F C 2.045 177.814 175.800 -0.052 0.000 1.103 206 F CA 1.680 59.652 58.000 -0.047 0.000 1.248 206 F CB -0.738 38.240 39.000 -0.036 0.000 0.999 206 F HN 0.075 nan 8.300 nan 0.000 0.475 207 A N 0.377 123.006 122.820 -0.317 0.000 1.883 207 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 207 A C 2.171 179.546 177.584 -0.349 0.000 1.186 207 A CA 1.962 53.759 52.037 -0.399 0.000 0.624 207 A CB -1.051 17.872 19.000 -0.127 0.000 0.822 207 A HN 0.634 nan 8.150 nan 0.000 0.444 208 Q N -0.728 118.930 119.800 -0.237 0.000 2.061 208 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 208 Q C 2.199 178.074 176.000 -0.208 0.000 0.984 208 Q CA 1.721 57.407 55.803 -0.196 0.000 0.846 208 Q CB -0.245 28.395 28.738 -0.163 0.000 0.902 208 Q HN 0.695 nan 8.270 nan 0.000 0.421 209 K N 0.379 120.643 120.400 -0.226 0.000 2.280 209 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 209 K C 1.539 177.991 176.600 -0.246 0.000 1.047 209 K CA 1.025 57.194 56.287 -0.197 0.000 0.942 209 K CB 0.008 32.418 32.500 -0.151 0.000 0.739 209 K HN 0.154 nan 8.250 nan 0.000 0.457 210 A N -0.080 122.504 122.820 -0.393 0.000 2.251 210 A HA 0.210 4.530 4.320 -0.000 0.000 0.209 210 A C 1.239 178.685 177.584 -0.231 0.000 1.187 210 A CA 0.777 52.592 52.037 -0.369 0.000 0.823 210 A CB -0.162 18.463 19.000 -0.624 0.000 0.846 210 A HN 0.498 nan 8.150 nan 0.000 0.486 211 G N -1.542 107.140 108.800 -0.197 0.000 2.157 211 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.248 211 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.248 211 G C 0.163 174.992 174.900 -0.119 0.000 0.979 211 G CA 0.126 45.147 45.100 -0.132 0.000 0.650 211 G HN 0.778 nan 8.290 nan 0.000 0.529 212 V N 1.733 121.553 119.914 -0.157 0.000 2.498 212 V HA 0.517 4.637 4.120 -0.000 0.000 0.279 212 V C 0.965 176.994 176.094 -0.109 0.000 1.048 212 V CA 0.253 62.480 62.300 -0.121 0.000 0.967 212 V CB 1.448 33.184 31.823 -0.144 0.000 0.988 212 V HN 0.297 nan 8.190 nan 0.000 0.473 213 T N 6.197 120.707 114.554 -0.074 0.000 2.856 213 T HA 0.460 4.810 4.350 -0.000 0.000 0.292 213 T C -0.046 174.606 174.700 -0.081 0.000 0.980 213 T CA -0.244 61.810 62.100 -0.077 0.000 1.091 213 T CB 0.596 69.433 68.868 -0.052 0.000 0.936 213 T HN 0.289 nan 8.240 nan 0.000 0.503 214 I N 3.333 123.836 120.570 -0.111 0.000 2.331 214 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 214 I C 0.604 176.659 176.117 -0.103 0.000 0.998 214 I CA -0.311 60.914 61.300 -0.125 0.000 1.267 214 I CB 0.972 38.847 38.000 -0.208 0.000 1.386 214 I HN 0.558 nan 8.210 nan 0.000 0.476 215 T N 5.909 120.429 114.554 -0.058 0.000 2.791 215 T HA 0.613 4.963 4.350 -0.000 0.000 0.288 215 T C 0.158 174.863 174.700 0.010 0.000 0.999 215 T CA -0.444 61.649 62.100 -0.011 0.000 0.952 215 T CB 1.504 70.394 68.868 0.038 0.000 0.938 215 T HN 0.715 nan 8.240 nan 0.000 0.444 216 A N 3.543 126.368 122.820 0.008 0.000 2.304 216 A HA 0.812 5.132 4.320 -0.000 0.000 0.301 216 A C -0.889 176.784 177.584 0.149 0.000 1.132 216 A CA -0.611 51.448 52.037 0.037 0.000 0.819 216 A CB 0.320 19.370 19.000 0.084 0.000 1.094 216 A HN 0.868 nan 8.150 nan 0.000 0.492 217 Y N -1.322 119.056 120.300 0.130 0.000 2.545 217 Y HA 0.611 5.161 4.550 -0.000 0.000 0.348 217 Y C 0.238 176.252 175.900 0.189 0.000 1.002 217 Y CA -1.263 56.914 58.100 0.129 0.000 1.039 217 Y CB 0.986 39.526 38.460 0.133 0.000 1.271 217 Y HN 0.913 nan 8.280 nan 0.000 0.467 218 S N 0.509 116.482 115.700 0.456 0.000 3.749 218 S HA -0.251 4.219 4.470 -0.000 0.000 0.348 218 S C 0.986 175.732 174.600 0.243 0.000 1.045 218 S CA 0.889 59.321 58.200 0.388 0.000 1.051 218 S CB -1.865 61.694 63.200 0.597 0.000 0.898 218 S HN 0.788 nan 8.310 nan 0.000 0.472 219 S N -0.281 115.438 115.700 0.032 0.000 2.440 219 S HA -0.055 4.415 4.470 -0.000 0.000 0.238 219 S C 1.035 175.657 174.600 0.036 0.000 1.010 219 S CA 1.215 59.411 58.200 -0.008 0.000 0.972 219 S CB -0.284 62.793 63.200 -0.205 0.000 0.774 219 S HN 0.770 nan 8.310 nan 0.000 0.501 220 F N 1.198 121.218 119.950 0.117 0.000 2.732 220 F HA 0.269 4.796 4.527 -0.000 0.000 0.303 220 F C 1.907 177.575 175.800 -0.220 0.000 1.110 220 F CA -0.286 57.694 58.000 -0.033 0.000 1.355 220 F CB -0.317 38.681 39.000 -0.003 0.000 1.081 220 F HN 0.335 nan 8.300 nan 0.000 0.565 221 G N 2.493 111.253 108.800 -0.066 0.000 2.591 221 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.298 221 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.298 221 G C -1.343 173.291 174.900 -0.442 0.000 1.195 221 G CA 0.196 45.047 45.100 -0.416 0.000 0.989 221 G HN 0.207 nan 8.290 nan 0.000 0.551 222 P HA -0.004 nan 4.420 nan 0.000 0.223 222 P C 1.362 178.412 177.300 -0.418 0.000 1.151 222 P CA 1.715 64.325 63.100 -0.817 0.000 0.787 222 P CB -0.018 31.384 31.700 -0.496 0.000 0.788 223 Q N -0.487 119.115 119.800 -0.328 0.000 2.472 223 Q HA 0.060 4.400 4.340 -0.000 0.000 0.208 223 Q C 2.327 178.323 176.000 -0.005 0.000 0.958 223 Q CA 0.776 56.417 55.803 -0.270 0.000 0.932 223 Q CB -0.894 27.398 28.738 -0.745 0.000 1.007 223 Q HN 0.167 nan 8.270 nan 0.000 0.508 224 S N -0.386 115.346 115.700 0.054 0.000 2.355 224 S HA 0.055 4.525 4.470 -0.000 0.000 0.222 224 S C -0.108 174.683 174.600 0.319 0.000 1.031 224 S CA 0.654 59.000 58.200 0.242 0.000 0.993 224 S CB 0.075 63.414 63.200 0.232 0.000 0.859 224 S HN 0.496 nan 8.310 nan 0.000 0.453 225 F N -0.118 119.844 119.950 0.020 0.000 2.553 225 F HA 0.033 4.560 4.527 -0.000 0.000 0.246 225 F C -1.858 174.009 175.800 0.111 0.000 0.805 225 F CA -0.488 57.505 58.000 -0.013 0.000 1.059 225 F CB -0.506 38.414 39.000 -0.132 0.000 1.406 225 F HN -0.201 nan 8.300 nan 0.000 0.770 226 V N 6.993 126.693 119.914 -0.357 0.000 2.459 226 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 226 V C 0.526 176.462 176.094 -0.264 0.000 1.029 226 V CA 0.232 62.495 62.300 -0.061 0.000 0.874 226 V CB 1.779 33.592 31.823 -0.017 0.000 0.985 226 V HN 0.829 nan 8.190 nan 0.000 0.438 227 E N 3.538 123.813 120.200 0.126 0.000 2.175 227 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 227 E C 1.817 178.533 176.600 0.194 0.000 0.934 227 E CA 0.189 56.657 56.400 0.114 0.000 0.870 227 E CB 0.097 30.057 29.700 0.432 0.000 0.838 227 E HN 0.622 nan 8.360 nan 0.000 0.474 228 M N 1.129 120.926 119.600 0.329 0.000 2.334 228 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 228 M C 0.414 176.869 176.300 0.259 0.000 1.085 228 M CA 1.574 57.083 55.300 0.348 0.000 1.093 228 M CB -1.102 31.805 32.600 0.511 0.000 1.237 228 M HN -0.080 nan 8.290 nan 0.000 0.457 229 N N 0.919 119.783 118.700 0.274 0.000 3.229 229 N HA 0.159 4.899 4.740 -0.000 0.000 0.275 229 N C 0.654 176.263 175.510 0.166 0.000 1.225 229 N CA -0.023 53.154 53.050 0.212 0.000 1.119 229 N CB 0.495 39.122 38.487 0.233 0.000 1.392 229 N HN 0.258 nan 8.380 nan 0.000 0.520 230 Q N 0.373 120.228 119.800 0.091 0.000 2.133 230 Q HA -0.174 4.166 4.340 -0.000 0.000 0.208 230 Q C 1.911 177.929 176.000 0.030 0.000 0.991 230 Q CA 1.900 57.708 55.803 0.010 0.000 0.867 230 Q CB -0.073 28.639 28.738 -0.043 0.000 0.911 230 Q HN 0.696 nan 8.270 nan 0.000 0.417 231 G N 0.610 109.442 108.800 0.055 0.000 2.469 231 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.219 231 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.219 231 G C 1.317 176.265 174.900 0.080 0.000 1.150 231 G CA 1.011 46.144 45.100 0.054 0.000 0.763 231 G HN 0.318 nan 8.290 nan 0.000 0.561 232 R N 0.533 121.113 120.500 0.133 0.000 2.091 232 R HA -0.029 4.311 4.340 -0.000 0.000 0.238 232 R C 2.848 179.300 176.300 0.253 0.000 1.136 232 R CA 1.654 57.869 56.100 0.191 0.000 0.959 232 R CB -0.380 30.072 30.300 0.254 0.000 0.856 232 R HN 0.320 nan 8.270 nan 0.000 0.437 233 A N 0.892 123.830 122.820 0.196 0.000 1.872 233 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 233 A C 2.208 179.762 177.584 -0.050 0.000 1.187 233 A CA 0.956 52.970 52.037 -0.038 0.000 0.614 233 A CB -0.523 18.268 19.000 -0.349 0.000 0.826 233 A HN 0.336 nan 8.150 nan 0.000 0.442 234 L N -0.505 120.697 121.223 -0.036 0.000 2.127 234 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 234 L C 1.733 178.600 176.870 -0.006 0.000 1.089 234 L CA 1.393 56.213 54.840 -0.032 0.000 0.757 234 L CB -0.461 41.584 42.059 -0.023 0.000 0.899 234 L HN 0.360 nan 8.230 nan 0.000 0.434 235 N N -1.219 117.493 118.700 0.021 0.000 2.370 235 N HA -0.001 4.739 4.740 -0.000 0.000 0.198 235 N C -0.418 175.104 175.510 0.020 0.000 1.156 235 N CA 0.201 53.264 53.050 0.021 0.000 0.839 235 N CB 0.281 38.785 38.487 0.029 0.000 0.989 235 N HN 0.089 nan 8.380 nan 0.000 0.468 236 T N 1.348 115.919 114.554 0.029 0.000 2.794 236 T HA 0.373 4.723 4.350 -0.000 0.000 0.280 236 T C -2.560 172.155 174.700 0.025 0.000 0.987 236 T CA -1.408 60.703 62.100 0.018 0.000 0.993 236 T CB 1.770 70.695 68.868 0.095 0.000 0.939 236 T HN -0.095 nan 8.240 nan 0.000 0.449 237 P HA 0.082 nan 4.420 nan 0.000 0.261 237 P C 0.352 177.752 177.300 0.166 0.000 1.183 237 P CA -0.125 63.022 63.100 0.079 0.000 0.761 237 P CB 0.019 31.770 31.700 0.086 0.000 0.785 238 T N 0.878 115.487 114.554 0.092 0.000 2.940 238 T HA 0.068 4.418 4.350 -0.000 0.000 0.309 238 T C 1.296 176.048 174.700 0.086 0.000 1.056 238 T CA -0.354 61.767 62.100 0.035 0.000 1.137 238 T CB 0.239 69.094 68.868 -0.023 0.000 0.976 238 T HN 0.197 nan 8.240 nan 0.000 0.547 239 L N 1.359 122.540 121.223 -0.071 0.000 2.313 239 L HA 0.116 4.456 4.340 -0.000 0.000 0.214 239 L C 2.293 179.225 176.870 0.102 0.000 1.119 239 L CA 0.926 55.717 54.840 -0.082 0.000 0.809 239 L CB -0.398 41.492 42.059 -0.282 0.000 0.933 239 L HN 0.765 nan 8.230 nan 0.000 0.449 240 F N -0.322 119.616 119.950 -0.019 0.000 2.407 240 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 240 F C 2.057 177.851 175.800 -0.010 0.000 1.097 240 F CA 0.267 58.240 58.000 -0.045 0.000 1.422 240 F CB 0.025 38.977 39.000 -0.080 0.000 1.067 240 F HN 0.088 nan 8.300 nan 0.000 0.539 241 A N -1.768 121.172 122.820 0.201 0.000 2.538 241 A HA 0.076 4.396 4.320 -0.000 0.000 0.269 241 A C 0.172 177.817 177.584 0.101 0.000 1.231 241 A CA -0.235 51.873 52.037 0.119 0.000 0.948 241 A CB -0.554 18.496 19.000 0.083 0.000 1.110 241 A HN 0.214 nan 8.150 nan 0.000 0.529 242 H N 1.125 120.225 119.070 0.050 0.000 2.848 242 H HA 0.062 4.618 4.556 -0.000 0.000 0.317 242 H C 0.115 175.455 175.328 0.020 0.000 1.046 242 H CA 0.105 56.175 56.048 0.038 0.000 1.470 242 H CB 0.785 30.559 29.762 0.020 0.000 1.483 242 H HN 0.261 nan 8.280 nan 0.000 0.548 243 D N 3.138 123.489 120.400 -0.082 0.000 2.149 243 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 243 D C 1.584 177.965 176.300 0.135 0.000 1.001 243 D CA 1.923 55.931 54.000 0.013 0.000 0.849 243 D CB -0.093 40.669 40.800 -0.063 0.000 0.939 243 D HN 0.614 nan 8.370 nan 0.000 0.449 244 T N 1.128 115.879 114.554 0.327 0.000 2.788 244 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 244 T C 1.976 176.734 174.700 0.097 0.000 1.044 244 T CA 0.425 62.637 62.100 0.187 0.000 1.139 244 T CB 0.096 69.050 68.868 0.143 0.000 0.867 244 T HN 0.096 nan 8.240 nan 0.000 0.454 245 I N 1.217 121.854 120.570 0.111 0.000 2.233 245 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 245 I C 2.298 178.452 176.117 0.061 0.000 1.093 245 I CA 1.266 62.594 61.300 0.046 0.000 1.380 245 I CB -0.944 37.076 38.000 0.033 0.000 1.067 245 I HN 0.261 nan 8.210 nan 0.000 0.413 246 K N 1.136 121.578 120.400 0.070 0.000 2.009 246 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 246 K C 2.256 178.865 176.600 0.015 0.000 1.049 246 K CA 1.721 58.029 56.287 0.035 0.000 0.929 246 K CB -0.304 32.214 32.500 0.029 0.000 0.714 246 K HN 0.269 nan 8.250 nan 0.000 0.440 247 A N 1.897 124.729 122.820 0.020 0.000 1.869 247 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 247 A C 2.178 179.749 177.584 -0.021 0.000 1.203 247 A CA 1.846 53.880 52.037 -0.004 0.000 0.638 247 A CB -0.875 18.130 19.000 0.008 0.000 0.831 247 A HN 0.243 nan 8.150 nan 0.000 0.450 248 I N -0.542 120.041 120.570 0.021 0.000 2.286 248 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 248 I C 2.957 179.132 176.117 0.096 0.000 1.115 248 I CA 1.015 62.357 61.300 0.070 0.000 1.392 248 I CB -0.437 37.659 38.000 0.161 0.000 1.065 248 I HN 0.397 nan 8.210 nan 0.000 0.418 249 A N 0.792 123.646 122.820 0.058 0.000 1.933 249 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 249 A C 2.517 180.077 177.584 -0.039 0.000 1.175 249 A CA 1.875 53.921 52.037 0.014 0.000 0.628 249 A CB -0.648 18.347 19.000 -0.007 0.000 0.814 249 A HN 0.441 nan 8.150 nan 0.000 0.444 250 A N -0.269 122.519 122.820 -0.053 0.000 1.930 250 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 250 A C 2.071 179.579 177.584 -0.128 0.000 1.176 250 A CA 1.653 53.644 52.037 -0.076 0.000 0.632 250 A CB -0.400 18.562 19.000 -0.062 0.000 0.819 250 A HN 0.533 nan 8.150 nan 0.000 0.445 251 K N -1.942 118.337 120.400 -0.202 0.000 2.360 251 K HA -0.160 4.160 4.320 -0.000 0.000 0.201 251 K C 0.502 176.766 176.600 -0.560 0.000 1.046 251 K CA 1.492 57.542 56.287 -0.395 0.000 0.945 251 K CB -0.176 32.005 32.500 -0.531 0.000 0.750 251 K HN 0.575 nan 8.250 nan 0.000 0.464 252 Y N -0.782 119.453 120.300 -0.107 0.000 2.527 252 Y HA 0.181 4.731 4.550 -0.000 0.000 0.247 252 Y C -0.029 175.742 175.900 -0.216 0.000 1.138 252 Y CA -0.429 57.567 58.100 -0.174 0.000 1.228 252 Y CB 0.377 38.636 38.460 -0.335 0.000 1.252 252 Y HN 0.128 nan 8.280 nan 0.000 0.531 253 N N 1.100 119.761 118.700 -0.065 0.000 2.756 253 N HA -0.187 4.552 4.740 -0.000 0.000 0.248 253 N C -1.186 174.254 175.510 -0.116 0.000 1.062 253 N CA 0.484 53.489 53.050 -0.076 0.000 0.696 253 N CB -0.596 37.861 38.487 -0.051 0.000 0.946 253 N HN 0.031 nan 8.380 nan 0.000 0.548 254 K N -0.527 119.777 120.400 -0.159 0.000 2.395 254 K HA 0.564 4.884 4.320 -0.000 0.000 0.245 254 K C 0.278 176.807 176.600 -0.120 0.000 1.017 254 K CA -0.286 55.883 56.287 -0.196 0.000 0.852 254 K CB 0.774 33.006 32.500 -0.447 0.000 1.311 254 K HN 0.314 nan 8.250 nan 0.000 0.452 255 T N -1.980 112.516 114.554 -0.096 0.000 2.913 255 T HA 0.245 4.595 4.350 -0.000 0.000 0.287 255 T C -1.876 172.760 174.700 -0.107 0.000 1.008 255 T CA -1.557 60.473 62.100 -0.116 0.000 1.067 255 T CB 1.151 69.932 68.868 -0.144 0.000 0.996 255 T HN 0.094 nan 8.240 nan 0.000 0.513 256 P HA -0.128 nan 4.420 nan 0.000 0.216 256 P C 1.701 178.973 177.300 -0.046 0.000 1.154 256 P CA 1.729 64.785 63.100 -0.074 0.000 0.865 256 P CB -0.261 31.386 31.700 -0.089 0.000 0.789 257 A N -0.115 122.539 122.820 -0.277 0.000 1.908 257 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 257 A C 2.141 179.795 177.584 0.117 0.000 1.181 257 A CA 1.846 53.776 52.037 -0.177 0.000 0.627 257 A CB -1.262 17.451 19.000 -0.478 0.000 0.818 257 A HN 0.208 nan 8.150 nan 0.000 0.445 258 E N -0.492 119.752 120.200 0.073 0.000 2.110 258 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 258 E C 1.943 178.697 176.600 0.257 0.000 0.988 258 E CA 1.301 57.806 56.400 0.175 0.000 0.804 258 E CB -0.240 29.572 29.700 0.186 0.000 0.745 258 E HN 0.437 nan 8.360 nan 0.000 0.458 259 V N 1.298 121.361 119.914 0.249 0.000 2.453 259 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 259 V C 2.247 178.482 176.094 0.236 0.000 1.048 259 V CA 1.226 63.719 62.300 0.322 0.000 1.049 259 V CB -0.360 31.597 31.823 0.224 0.000 0.672 259 V HN 0.253 nan 8.190 nan 0.000 0.457 260 L N -0.708 120.641 121.223 0.210 0.000 2.046 260 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 260 L C 2.369 179.390 176.870 0.252 0.000 1.077 260 L CA 1.533 56.517 54.840 0.241 0.000 0.747 260 L CB -0.475 41.805 42.059 0.368 0.000 0.896 260 L HN 0.303 nan 8.230 nan 0.000 0.432 261 L N -0.902 120.353 121.223 0.054 0.000 2.072 261 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 261 L C 2.770 179.448 176.870 -0.319 0.000 1.079 261 L CA 0.643 55.293 54.840 -0.317 0.000 0.752 261 L CB -0.408 41.068 42.059 -0.972 0.000 0.906 261 L HN 0.178 nan 8.230 nan 0.000 0.436 262 R N 0.013 120.400 120.500 -0.189 0.000 2.096 262 R HA -0.245 4.095 4.340 -0.000 0.000 0.235 262 R C 2.009 178.382 176.300 0.120 0.000 1.127 262 R CA 1.470 57.589 56.100 0.032 0.000 0.968 262 R CB -0.962 29.265 30.300 -0.121 0.000 0.861 262 R HN 0.434 nan 8.270 nan 0.000 0.440 263 W N 0.380 121.688 121.300 0.014 0.000 2.325 263 W HA -0.181 4.479 4.660 -0.000 0.000 0.299 263 W C 1.730 178.375 176.519 0.209 0.000 1.215 263 W CA 2.439 59.871 57.345 0.146 0.000 1.244 263 W CB -0.463 29.070 29.460 0.122 0.000 1.140 263 W HN 0.194 nan 8.180 nan 0.000 0.523 264 A N 0.189 123.065 122.820 0.095 0.000 1.871 264 A HA 0.178 4.498 4.320 -0.000 0.000 0.211 264 A C 2.104 179.647 177.584 -0.068 0.000 1.207 264 A CA 1.781 53.755 52.037 -0.106 0.000 0.620 264 A CB -1.481 17.553 19.000 0.057 0.000 0.860 264 A HN 0.334 nan 8.150 nan 0.000 0.450 265 A N -0.549 122.306 122.820 0.057 0.000 1.908 265 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 265 A C 2.145 179.748 177.584 0.031 0.000 1.181 265 A CA 1.930 54.029 52.037 0.103 0.000 0.627 265 A CB -0.689 18.518 19.000 0.346 0.000 0.818 265 A HN 0.628 nan 8.150 nan 0.000 0.445 266 Q N -0.868 118.958 119.800 0.044 0.000 2.439 266 Q HA -0.069 4.271 4.340 -0.000 0.000 0.211 266 Q C 1.534 177.515 176.000 -0.031 0.000 0.978 266 Q CA 0.897 56.722 55.803 0.037 0.000 0.897 266 Q CB -0.008 28.812 28.738 0.138 0.000 0.956 266 Q HN 0.635 nan 8.270 nan 0.000 0.483 267 R N -1.622 118.805 120.500 -0.122 0.000 2.427 267 R HA 0.146 4.486 4.340 -0.000 0.000 0.262 267 R C 0.586 176.770 176.300 -0.194 0.000 0.943 267 R CA 0.500 56.460 56.100 -0.232 0.000 1.081 267 R CB 0.809 30.876 30.300 -0.388 0.000 1.166 267 R HN 0.341 nan 8.270 nan 0.000 0.534 268 G N 1.414 110.134 108.800 -0.134 0.000 2.141 268 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 268 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 268 G C 0.101 174.923 174.900 -0.131 0.000 0.982 268 G CA -0.271 44.758 45.100 -0.119 0.000 0.662 268 G HN 0.236 nan 8.290 nan 0.000 0.527 269 I N 1.469 121.951 120.570 -0.147 0.000 2.331 269 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 269 I C 1.008 177.081 176.117 -0.074 0.000 0.998 269 I CA -0.493 60.713 61.300 -0.157 0.000 1.267 269 I CB 1.602 39.446 38.000 -0.260 0.000 1.386 269 I HN 0.275 nan 8.210 nan 0.000 0.476 270 A N 6.693 129.475 122.820 -0.063 0.000 2.407 270 A HA 0.553 4.873 4.320 -0.000 0.000 0.248 270 A C -0.069 177.527 177.584 0.020 0.000 1.082 270 A CA -0.298 51.727 52.037 -0.021 0.000 0.785 270 A CB 0.488 19.460 19.000 -0.047 0.000 1.020 270 A HN 0.640 nan 8.150 nan 0.000 0.489 271 V N -0.094 119.863 119.914 0.072 0.000 3.074 271 V HA 0.815 4.934 4.120 -0.000 0.000 0.314 271 V C -0.190 175.971 176.094 0.113 0.000 1.117 271 V CA -0.546 61.809 62.300 0.092 0.000 1.014 271 V CB 1.758 33.643 31.823 0.104 0.000 1.057 271 V HN 1.089 nan 8.190 nan 0.000 0.438 272 I N -1.364 119.266 120.570 0.100 0.000 2.884 272 I HA 0.482 4.652 4.170 -0.000 0.000 0.317 272 I C -2.613 173.535 176.117 0.053 0.000 1.498 272 I CA -1.401 59.962 61.300 0.106 0.000 0.796 272 I CB 1.088 39.149 38.000 0.102 0.000 2.162 272 I HN 0.470 nan 8.210 nan 0.000 0.603 273 P HA 0.063 nan 4.420 nan 0.000 0.269 273 P C -0.680 176.587 177.300 -0.055 0.000 1.217 273 P CA 0.031 63.141 63.100 0.017 0.000 0.783 273 P CB 1.177 32.959 31.700 0.137 0.000 0.898 274 R N 1.016 121.469 120.500 -0.079 0.000 2.532 274 R HA 0.517 4.857 4.340 -0.000 0.000 0.297 274 R C -1.462 174.830 176.300 -0.013 0.000 0.984 274 R CA -0.488 55.434 56.100 -0.295 0.000 0.884 274 R CB 1.341 31.429 30.300 -0.354 0.000 1.182 274 R HN 0.554 nan 8.270 nan 0.000 0.442 275 S N 2.681 118.441 115.700 0.100 0.000 2.575 275 S HA 0.263 4.733 4.470 -0.000 0.000 0.278 275 S C -0.199 174.519 174.600 0.197 0.000 1.139 275 S CA -0.705 57.597 58.200 0.171 0.000 0.954 275 S CB 1.428 64.759 63.200 0.218 0.000 1.054 275 S HN 0.823 nan 8.310 nan 0.000 0.483 276 N N 2.742 121.513 118.700 0.117 0.000 2.467 276 N HA 0.220 4.960 4.740 -0.000 0.000 0.184 276 N C -0.436 175.128 175.510 0.090 0.000 1.106 276 N CA 0.361 53.471 53.050 0.101 0.000 0.892 276 N CB 0.074 38.589 38.487 0.047 0.000 0.969 276 N HN 0.445 nan 8.380 nan 0.000 0.454 277 L N 0.641 121.923 121.223 0.097 0.000 2.296 277 L HA 0.333 4.673 4.340 -0.000 0.000 0.286 277 L C -1.694 175.231 176.870 0.092 0.000 1.023 277 L CA -1.969 52.918 54.840 0.079 0.000 0.812 277 L CB 1.664 43.761 42.059 0.064 0.000 1.223 277 L HN -0.255 nan 8.230 nan 0.000 0.421 278 P HA -0.193 nan 4.420 nan 0.000 0.216 278 P C 0.881 178.231 177.300 0.083 0.000 1.153 278 P CA 1.256 64.400 63.100 0.072 0.000 0.858 278 P CB 0.356 32.086 31.700 0.050 0.000 0.789 279 E N -0.462 119.779 120.200 0.068 0.000 2.058 279 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 279 E C 2.052 178.705 176.600 0.088 0.000 0.997 279 E CA 1.276 57.714 56.400 0.063 0.000 0.801 279 E CB -0.678 29.046 29.700 0.039 0.000 0.746 279 E HN 0.257 nan 8.360 nan 0.000 0.450 280 R N -0.078 120.482 120.500 0.101 0.000 2.090 280 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 280 R C 2.325 178.755 176.300 0.217 0.000 1.110 280 R CA 0.624 56.806 56.100 0.137 0.000 0.973 280 R CB -0.408 29.966 30.300 0.123 0.000 0.869 280 R HN 0.112 nan 8.270 nan 0.000 0.440 281 L N 0.864 122.219 121.223 0.219 0.000 2.013 281 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 281 L C 2.022 179.107 176.870 0.359 0.000 1.073 281 L CA 1.744 56.762 54.840 0.296 0.000 0.753 281 L CB -0.385 41.787 42.059 0.189 0.000 0.890 281 L HN -0.079 nan 8.230 nan 0.000 0.432 282 V N -0.357 119.693 119.914 0.225 0.000 2.307 282 V HA -0.327 3.793 4.120 -0.000 0.000 0.245 282 V C 2.565 178.756 176.094 0.161 0.000 1.045 282 V CA 2.037 64.437 62.300 0.166 0.000 1.024 282 V CB -0.786 31.096 31.823 0.099 0.000 0.651 282 V HN 0.707 nan 8.190 nan 0.000 0.449 283 Q N 0.348 120.249 119.800 0.169 0.000 2.135 283 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 283 Q C 1.863 178.040 176.000 0.295 0.000 0.981 283 Q CA 1.949 57.862 55.803 0.183 0.000 0.856 283 Q CB -0.204 28.618 28.738 0.139 0.000 0.902 283 Q HN 0.610 nan 8.270 nan 0.000 0.425 284 N N 0.687 119.600 118.700 0.356 0.000 2.573 284 N HA -0.139 4.601 4.740 -0.000 0.000 0.187 284 N C 1.058 176.888 175.510 0.534 0.000 1.107 284 N CA 1.306 54.651 53.050 0.492 0.000 0.918 284 N CB -0.003 38.788 38.487 0.506 0.000 0.966 284 N HN 0.452 nan 8.380 nan 0.000 0.448 285 R N -1.697 118.954 120.500 0.251 0.000 2.535 285 R HA 0.339 4.679 4.340 -0.000 0.000 0.323 285 R C 0.104 176.266 176.300 -0.231 0.000 0.979 285 R CA -0.043 56.005 56.100 -0.087 0.000 1.120 285 R CB -0.040 29.973 30.300 -0.479 0.000 1.306 285 R HN -0.193 nan 8.270 nan 0.000 0.540 286 S N 0.705 116.362 115.700 -0.070 0.000 2.711 286 S HA 0.160 4.630 4.470 -0.000 0.000 0.247 286 S C -0.035 174.558 174.600 -0.011 0.000 1.079 286 S CA -0.782 57.359 58.200 -0.097 0.000 1.050 286 S CB -0.203 62.994 63.200 -0.006 0.000 0.885 286 S HN 0.483 nan 8.310 nan 0.000 0.498 287 F N 0.103 120.113 119.950 0.100 0.000 2.743 287 F HA 0.407 4.934 4.527 -0.000 0.000 0.297 287 F C 0.445 176.355 175.800 0.183 0.000 1.131 287 F CA -0.504 57.604 58.000 0.180 0.000 1.426 287 F CB -0.502 38.626 39.000 0.213 0.000 1.116 287 F HN 0.012 nan 8.300 nan 0.000 0.583 288 N N 1.937 120.524 118.700 -0.189 0.000 3.178 288 N HA 0.039 4.779 4.740 -0.000 0.000 0.300 288 N C 0.606 176.118 175.510 0.004 0.000 1.242 288 N CA 0.808 53.805 53.050 -0.089 0.000 1.192 288 N CB -0.021 38.324 38.487 -0.237 0.000 1.463 288 N HN 0.509 nan 8.380 nan 0.000 0.539 289 T N -2.561 112.110 114.554 0.195 0.000 3.231 289 T HA 0.293 4.643 4.350 -0.000 0.000 0.292 289 T C -0.038 174.856 174.700 0.324 0.000 1.001 289 T CA -0.460 61.764 62.100 0.207 0.000 0.920 289 T CB -0.447 68.536 68.868 0.190 0.000 1.140 289 T HN 0.177 nan 8.240 nan 0.000 0.525 290 F N -1.411 118.508 119.950 -0.052 0.000 2.773 290 F HA 0.789 5.316 4.527 -0.000 0.000 0.314 290 F C -2.276 173.416 175.800 -0.179 0.000 1.160 290 F CA -1.663 56.253 58.000 -0.140 0.000 0.920 290 F CB 0.598 39.445 39.000 -0.256 0.000 1.323 290 F HN -0.201 nan 8.300 nan 0.000 0.457 291 D N 2.403 122.624 120.400 -0.299 0.000 2.505 291 D HA 0.494 5.134 4.640 -0.000 0.000 0.249 291 D C -0.574 175.509 176.300 -0.361 0.000 1.082 291 D CA -0.189 53.608 54.000 -0.337 0.000 0.839 291 D CB 2.801 43.532 40.800 -0.115 0.000 1.317 291 D HN 0.562 nan 8.370 nan 0.000 0.497 292 L N 1.434 122.410 121.223 -0.412 0.000 2.417 292 L HA 0.250 4.590 4.340 -0.000 0.000 0.268 292 L C 1.395 178.134 176.870 -0.219 0.000 1.158 292 L CA -0.217 54.387 54.840 -0.393 0.000 0.819 292 L CB 0.697 42.268 42.059 -0.814 0.000 1.112 292 L HN 0.419 nan 8.230 nan 0.000 0.458 293 T N -1.785 112.737 114.554 -0.054 0.000 2.881 293 T HA 0.195 4.545 4.350 -0.000 0.000 0.278 293 T C 0.899 175.679 174.700 0.133 0.000 0.982 293 T CA -0.823 61.322 62.100 0.074 0.000 0.989 293 T CB 1.548 70.490 68.868 0.123 0.000 1.058 293 T HN 0.659 nan 8.240 nan 0.000 0.529 294 K N 0.313 120.841 120.400 0.214 0.000 2.074 294 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 294 K C 2.139 178.874 176.600 0.227 0.000 1.048 294 K CA 2.113 58.565 56.287 0.274 0.000 0.926 294 K CB -0.256 32.347 32.500 0.173 0.000 0.713 294 K HN 0.845 nan 8.250 nan 0.000 0.444 295 E N 0.130 120.418 120.200 0.146 0.000 2.153 295 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 295 E C 1.299 177.965 176.600 0.110 0.000 0.988 295 E CA 1.487 57.957 56.400 0.117 0.000 0.811 295 E CB 0.057 29.808 29.700 0.085 0.000 0.746 295 E HN 0.366 nan 8.360 nan 0.000 0.466 296 D N -0.170 120.276 120.400 0.077 0.000 2.097 296 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 296 D C 1.687 178.017 176.300 0.050 0.000 0.984 296 D CA 0.901 54.915 54.000 0.023 0.000 0.826 296 D CB -0.278 40.489 40.800 -0.055 0.000 0.973 296 D HN 0.244 nan 8.370 nan 0.000 0.460 297 F N 1.853 121.908 119.950 0.175 0.000 2.171 297 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 297 F C 2.433 178.334 175.800 0.168 0.000 1.090 297 F CA 0.820 58.950 58.000 0.218 0.000 1.293 297 F CB -0.483 38.621 39.000 0.174 0.000 1.013 297 F HN -0.026 nan 8.300 nan 0.000 0.486 298 E N -0.256 120.127 120.200 0.305 0.000 2.110 298 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 298 E C 2.080 178.767 176.600 0.145 0.000 0.988 298 E CA 1.124 57.641 56.400 0.195 0.000 0.804 298 E CB -0.186 29.601 29.700 0.145 0.000 0.745 298 E HN 0.344 nan 8.360 nan 0.000 0.458 299 E N 0.728 121.000 120.200 0.121 0.000 2.072 299 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 299 E C 2.163 178.788 176.600 0.042 0.000 0.985 299 E CA 0.700 57.146 56.400 0.076 0.000 0.801 299 E CB -0.091 29.645 29.700 0.060 0.000 0.750 299 E HN 0.353 nan 8.360 nan 0.000 0.452 300 I N 0.929 121.522 120.570 0.038 0.000 2.439 300 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 300 I C 2.352 178.450 176.117 -0.031 0.000 1.139 300 I CA 0.776 62.020 61.300 -0.095 0.000 1.438 300 I CB -0.308 37.566 38.000 -0.211 0.000 1.085 300 I HN -0.036 nan 8.210 nan 0.000 0.427 301 A N 0.961 123.865 122.820 0.140 0.000 2.076 301 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 301 A C 2.198 179.833 177.584 0.085 0.000 1.160 301 A CA 1.478 53.612 52.037 0.163 0.000 0.653 301 A CB -0.448 18.666 19.000 0.191 0.000 0.801 301 A HN 0.357 nan 8.150 nan 0.000 0.455 302 K N -0.244 120.192 120.400 0.060 0.000 2.362 302 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 302 K C 1.301 177.930 176.600 0.049 0.000 1.046 302 K CA 0.666 56.986 56.287 0.055 0.000 0.952 302 K CB -0.194 32.342 32.500 0.061 0.000 0.753 302 K HN 0.500 nan 8.250 nan 0.000 0.466 303 L N 0.640 121.864 121.223 0.002 0.000 2.395 303 L HA -0.007 4.333 4.340 -0.000 0.000 0.218 303 L C 0.521 177.458 176.870 0.111 0.000 1.130 303 L CA 0.141 54.997 54.840 0.027 0.000 0.826 303 L CB -0.528 41.420 42.059 -0.185 0.000 0.941 303 L HN 0.134 nan 8.230 nan 0.000 0.451 304 D N 1.692 122.132 120.400 0.067 0.000 2.451 304 D HA -0.011 4.628 4.640 -0.000 0.000 0.254 304 D C 0.866 177.208 176.300 0.069 0.000 1.204 304 D CA 0.484 54.531 54.000 0.077 0.000 0.896 304 D CB 0.517 41.355 40.800 0.065 0.000 1.136 304 D HN 0.338 nan 8.370 nan 0.000 0.499 305 I N 0.305 120.915 120.570 0.068 0.000 4.310 305 I HA 0.389 4.559 4.170 -0.000 0.000 0.328 305 I C 1.080 177.178 176.117 -0.031 0.000 1.406 305 I CA -0.473 60.833 61.300 0.010 0.000 1.174 305 I CB 0.193 38.183 38.000 -0.018 0.000 1.279 305 I HN 0.459 nan 8.210 nan 0.000 0.471 306 G N 2.997 111.780 108.800 -0.030 0.000 2.273 306 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.280 306 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.280 306 G C -0.350 174.475 174.900 -0.125 0.000 1.047 306 G CA 0.446 45.498 45.100 -0.080 0.000 0.869 306 G HN 0.441 nan 8.290 nan 0.000 0.502 307 L N 0.525 121.674 121.223 -0.123 0.000 2.260 307 L HA 0.711 5.051 4.340 -0.000 0.000 0.289 307 L C 0.504 177.151 176.870 -0.371 0.000 1.057 307 L CA -1.001 53.684 54.840 -0.257 0.000 0.811 307 L CB 0.873 42.755 42.059 -0.295 0.000 1.184 307 L HN 0.316 nan 8.230 nan 0.000 0.429 308 R N 3.984 124.237 120.500 -0.411 0.000 2.387 308 R HA 0.326 4.666 4.340 -0.000 0.000 0.314 308 R C -0.395 175.698 176.300 -0.346 0.000 0.958 308 R CA -0.445 55.451 56.100 -0.340 0.000 0.846 308 R CB 0.771 30.917 30.300 -0.256 0.000 1.147 308 R HN 0.646 nan 8.270 nan 0.000 0.447 309 F N 1.128 121.212 119.950 0.224 0.000 2.582 309 F HA 0.196 4.723 4.527 -0.000 0.000 0.290 309 F C 0.950 176.939 175.800 0.316 0.000 1.115 309 F CA -0.094 58.054 58.000 0.246 0.000 1.445 309 F CB 0.120 39.272 39.000 0.254 0.000 1.126 309 F HN 0.424 nan 8.300 nan 0.000 0.574 310 N N 1.053 120.057 118.700 0.507 0.000 2.801 310 N HA 0.083 4.823 4.740 -0.000 0.000 0.235 310 N C -1.699 174.100 175.510 0.482 0.000 1.069 310 N CA -0.012 53.378 53.050 0.566 0.000 0.946 310 N CB -0.128 38.773 38.487 0.690 0.000 1.212 310 N HN -0.099 nan 8.380 nan 0.000 0.509 311 D N 2.612 123.239 120.400 0.378 0.000 2.481 311 D HA 0.375 5.015 4.640 -0.000 0.000 0.246 311 D C -2.018 174.217 176.300 -0.107 0.000 1.109 311 D CA -2.159 52.009 54.000 0.280 0.000 0.845 311 D CB 2.202 43.154 40.800 0.254 0.000 1.160 311 D HN 0.205 nan 8.370 nan 0.000 0.534 312 P HA -0.056 nan 4.420 nan 0.000 0.226 312 P C 1.300 178.194 177.300 -0.677 0.000 1.146 312 P CA 0.452 62.661 63.100 -1.484 0.000 0.773 312 P CB 0.063 30.970 31.700 -1.322 0.000 0.772 313 W N 1.045 122.121 121.300 -0.374 0.000 2.374 313 W HA -0.142 4.518 4.660 -0.000 0.000 0.288 313 W C 0.605 177.043 176.519 -0.134 0.000 1.218 313 W CA 1.298 58.516 57.345 -0.211 0.000 1.245 313 W CB -0.211 29.189 29.460 -0.100 0.000 1.126 313 W HN 0.028 nan 8.180 nan 0.000 0.545 314 D N -0.493 119.918 120.400 0.018 0.000 2.224 314 D HA -0.165 4.475 4.640 -0.000 0.000 0.205 314 D C 1.789 178.144 176.300 0.092 0.000 0.965 314 D CA 1.233 55.291 54.000 0.096 0.000 0.852 314 D CB -0.920 40.043 40.800 0.271 0.000 0.947 314 D HN 0.193 nan 8.370 nan 0.000 0.494 315 W N 1.069 122.225 121.300 -0.239 0.000 2.381 315 W HA -0.007 4.653 4.660 -0.000 0.000 0.321 315 W C 1.095 177.173 176.519 -0.735 0.000 1.196 315 W CA 0.587 57.645 57.345 -0.478 0.000 1.304 315 W CB -0.873 28.183 29.460 -0.673 0.000 1.166 315 W HN -0.017 nan 8.180 nan 0.000 0.473 316 D N -2.193 117.861 120.400 -0.577 0.000 3.118 316 D HA 0.061 4.701 4.640 -0.000 0.000 0.352 316 D C -0.787 175.109 176.300 -0.674 0.000 1.498 316 D CA -0.158 53.397 54.000 -0.740 0.000 0.759 316 D CB -1.209 38.825 40.800 -1.276 0.000 1.251 316 D HN 0.077 nan 8.370 nan 0.000 0.504 317 N N 0.434 118.578 118.700 -0.927 0.000 2.725 317 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 317 N C -0.547 174.451 175.510 -0.854 0.000 1.031 317 N CA 0.469 52.555 53.050 -1.607 0.000 0.720 317 N CB -0.872 36.727 38.487 -1.482 0.000 0.930 317 N HN 0.454 nan 8.380 nan 0.000 0.543 318 I N 1.284 121.569 120.570 -0.475 0.000 2.379 318 I HA 0.126 4.296 4.170 -0.000 0.000 0.290 318 I C -1.115 174.990 176.117 -0.019 0.000 1.063 318 I CA -1.830 59.296 61.300 -0.289 0.000 1.351 318 I CB 0.686 38.460 38.000 -0.377 0.000 1.410 318 I HN -0.036 nan 8.210 nan 0.000 0.505 319 P HA -0.041 nan 4.420 nan 0.000 0.285 319 P C 1.158 178.367 177.300 -0.151 0.000 1.521 319 P CA 0.253 63.386 63.100 0.054 0.000 0.792 319 P CB -0.002 31.713 31.700 0.025 0.000 1.613 320 I N -0.858 119.533 120.570 -0.299 0.000 2.163 320 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 320 I C 1.432 177.184 176.117 -0.608 0.000 1.085 320 I CA 1.462 62.418 61.300 -0.573 0.000 1.347 320 I CB -1.510 35.948 38.000 -0.904 0.000 1.044 320 I HN -0.032 nan 8.210 nan 0.000 0.408 321 F N 0.881 120.788 119.950 -0.071 0.000 2.925 321 F HA 0.310 4.837 4.527 -0.000 0.000 0.302 321 F C 0.497 176.215 175.800 -0.136 0.000 1.189 321 F CA -0.688 57.261 58.000 -0.085 0.000 1.346 321 F CB -0.523 38.441 39.000 -0.059 0.000 0.954 321 F HN -0.171 nan 8.300 nan 0.000 0.506 322 V N 0.000 119.885 119.914 -0.049 0.000 2.409 322 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 322 V CA 0.000 62.226 62.300 -0.124 0.000 1.235 322 V CB 0.000 31.667 31.823 -0.260 0.000 1.184 322 V HN 0.000 nan 8.190 nan 0.000 0.556