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 2ux4_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.613 177.584 0.049 0.000 1.274 1 A CA 0.000 52.057 52.037 0.033 0.000 0.836 1 A CB 0.000 19.022 19.000 0.037 0.000 0.831 2 E N 1.229 121.452 120.200 0.039 0.000 2.376 2 E HA 0.338 4.688 4.350 0.000 0.000 0.266 2 E C -0.367 176.279 176.600 0.077 0.000 1.009 2 E CA 0.108 56.538 56.400 0.050 0.000 0.902 2 E CB 0.230 29.940 29.700 0.016 0.000 0.972 2 E HN 0.691 nan 8.360 nan 0.000 0.439 3 Y N 3.940 124.233 120.300 -0.011 0.000 2.526 3 Y HA 0.038 4.588 4.550 0.000 0.000 0.330 3 Y C 0.481 176.370 175.900 -0.019 0.000 1.156 3 Y CA 0.287 58.384 58.100 -0.005 0.000 1.419 3 Y CB 0.918 39.378 38.460 -0.000 0.000 1.250 3 Y HN 0.559 nan 8.280 nan 0.000 0.540 4 Q N 3.797 123.203 119.800 -0.657 0.000 2.319 4 Q HA 0.008 4.349 4.340 0.000 0.000 0.209 4 Q C 0.342 175.942 176.000 -0.667 0.000 0.884 4 Q CA 0.379 55.870 55.803 -0.519 0.000 0.938 4 Q CB -0.009 28.577 28.738 -0.253 0.000 1.098 4 Q HN 0.921 nan 8.270 nan 0.000 0.517 5 N N 0.144 118.117 118.700 -1.212 0.000 2.741 5 N HA -0.168 4.572 4.740 0.000 0.000 0.250 5 N C 0.447 175.761 175.510 -0.327 0.000 1.115 5 N CA 0.354 53.017 53.050 -0.646 0.000 0.724 5 N CB -0.834 37.421 38.487 -0.385 0.000 1.090 5 N HN 0.179 nan 8.380 nan 0.000 0.558 6 I N -1.274 119.110 120.570 -0.311 0.000 2.277 6 I HA 0.025 4.195 4.170 0.000 0.000 0.243 6 I C 0.741 176.607 176.117 -0.418 0.000 1.094 6 I CA 1.244 62.324 61.300 -0.367 0.000 1.393 6 I CB -0.597 37.167 38.000 -0.394 0.000 1.078 6 I HN 0.018 nan 8.210 nan 0.000 0.417 7 F N 0.268 120.322 119.950 0.173 0.000 2.532 7 F HA 0.387 4.914 4.527 0.000 0.000 0.321 7 F C 0.812 176.829 175.800 0.362 0.000 1.089 7 F CA -0.925 57.248 58.000 0.287 0.000 0.926 7 F CB 1.190 40.333 39.000 0.239 0.000 1.168 7 F HN -0.305 nan 8.300 nan 0.000 0.459 8 S N 1.545 117.594 115.700 0.582 0.000 2.576 8 S HA 0.081 4.552 4.470 0.000 0.000 0.276 8 S C 0.902 175.784 174.600 0.471 0.000 1.339 8 S CA -0.541 57.931 58.200 0.453 0.000 1.039 8 S CB 1.100 64.478 63.200 0.296 0.000 0.902 8 S HN 0.711 nan 8.310 nan 0.000 0.516 9 Q N 0.404 120.336 119.800 0.220 0.000 2.212 9 Q HA 0.108 4.448 4.340 0.000 0.000 0.199 9 Q C -0.333 175.792 176.000 0.208 0.000 0.950 9 Q CA 0.695 56.572 55.803 0.123 0.000 0.863 9 Q CB 0.252 28.879 28.738 -0.184 0.000 0.944 9 Q HN 0.459 nan 8.270 nan 0.000 0.465 10 V N 1.233 121.223 119.914 0.127 0.000 2.668 10 V HA 0.222 4.342 4.120 0.000 0.000 0.304 10 V C -0.894 175.193 176.094 -0.012 0.000 1.071 10 V CA -0.878 61.457 62.300 0.058 0.000 0.894 10 V CB 1.902 33.730 31.823 0.009 0.000 1.008 10 V HN 0.099 nan 8.190 nan 0.000 0.425 11 Q N 2.533 122.264 119.800 -0.114 0.000 2.235 11 Q HA 0.807 5.147 4.340 0.000 0.000 0.256 11 Q C -0.734 175.197 176.000 -0.115 0.000 0.951 11 Q CA -0.766 54.937 55.803 -0.166 0.000 0.890 11 Q CB 2.770 31.303 28.738 -0.342 0.000 1.279 11 Q HN 0.757 nan 8.270 nan 0.000 0.444 12 V N -1.020 118.840 119.914 -0.089 0.000 2.823 12 V HA 0.773 4.893 4.120 0.000 0.000 0.312 12 V C -0.849 175.195 176.094 -0.082 0.000 1.072 12 V CA -1.063 61.191 62.300 -0.077 0.000 0.937 12 V CB 2.143 33.936 31.823 -0.050 0.000 1.013 12 V HN 0.808 nan 8.190 nan 0.000 0.430 13 R N 1.108 121.545 120.500 -0.105 0.000 2.744 13 R HA 0.829 5.169 4.340 0.000 0.000 0.279 13 R C -0.206 176.019 176.300 -0.125 0.000 0.977 13 R CA 0.111 56.128 56.100 -0.138 0.000 0.906 13 R CB 2.355 32.497 30.300 -0.263 0.000 1.197 13 R HN 1.254 nan 8.270 nan 0.000 0.463 14 G N 1.976 110.713 108.800 -0.105 0.000 3.022 14 G HA2 0.532 4.492 3.960 0.000 0.000 0.284 14 G HA3 0.532 4.492 3.960 0.000 0.000 0.284 14 G C -2.622 172.233 174.900 -0.074 0.000 1.375 14 G CA -1.103 43.949 45.100 -0.079 0.000 0.902 14 G HN 0.446 nan 8.290 nan 0.000 0.538 15 P HA 0.363 nan 4.420 nan 0.000 0.265 15 P C 0.203 177.551 177.300 0.081 0.000 1.187 15 P CA 0.070 63.171 63.100 0.001 0.000 0.766 15 P CB 0.472 32.175 31.700 0.006 0.000 0.820 16 A N 2.373 125.287 122.820 0.157 0.000 2.567 16 A HA -0.000 4.320 4.320 0.000 0.000 0.240 16 A C 0.480 178.142 177.584 0.130 0.000 1.053 16 A CA 0.238 52.438 52.037 0.272 0.000 0.755 16 A CB -0.356 18.799 19.000 0.259 0.000 0.978 16 A HN 0.518 nan 8.150 nan 0.000 0.507 17 D N 2.635 123.101 120.400 0.110 0.000 2.339 17 D HA 0.291 4.931 4.640 0.000 0.000 0.241 17 D C 0.724 177.036 176.300 0.021 0.000 1.183 17 D CA -0.041 53.989 54.000 0.050 0.000 0.859 17 D CB 0.693 41.517 40.800 0.039 0.000 1.067 17 D HN 0.489 nan 8.370 nan 0.000 0.484 18 L N 2.951 124.184 121.223 0.016 0.000 2.558 18 L HA 0.223 4.563 4.340 0.000 0.000 0.225 18 L C 1.470 178.339 176.870 -0.002 0.000 1.128 18 L CA 0.217 55.061 54.840 0.007 0.000 0.868 18 L CB -0.497 41.569 42.059 0.011 0.000 1.006 18 L HN 0.612 nan 8.230 nan 0.000 0.454 19 G N 0.177 108.973 108.800 -0.007 0.000 2.760 19 G HA2 -0.201 3.759 3.960 0.000 0.000 0.246 19 G HA3 -0.201 3.759 3.960 0.000 0.000 0.246 19 G C -0.364 174.523 174.900 -0.022 0.000 1.359 19 G CA -0.873 44.216 45.100 -0.018 0.000 0.861 19 G HN -0.123 nan 8.290 nan 0.000 0.541 20 M N 0.512 120.091 119.600 -0.034 0.000 2.233 20 M HA 0.328 4.808 4.480 0.000 0.000 0.350 20 M C 1.695 177.971 176.300 -0.041 0.000 1.176 20 M CA 0.246 55.523 55.300 -0.038 0.000 1.150 20 M CB 0.335 32.905 32.600 -0.050 0.000 1.530 20 M HN 0.683 nan 8.290 nan 0.000 0.459 21 T N 0.705 115.238 114.554 -0.035 0.000 2.818 21 T HA -0.005 4.345 4.350 0.000 0.000 0.246 21 T C 0.735 175.407 174.700 -0.047 0.000 1.036 21 T CA 0.432 62.513 62.100 -0.032 0.000 1.160 21 T CB 0.172 69.028 68.868 -0.021 0.000 0.869 21 T HN 0.629 nan 8.240 nan 0.000 0.419 22 E N 0.939 121.111 120.200 -0.047 0.000 3.360 22 E HA -0.213 4.137 4.350 0.000 0.000 0.397 22 E C 0.143 176.711 176.600 -0.052 0.000 1.549 22 E CA 1.726 58.093 56.400 -0.055 0.000 1.539 22 E CB -1.256 28.399 29.700 -0.075 0.000 1.621 22 E HN 0.388 nan 8.360 nan 0.000 0.465 23 D N 0.946 121.306 120.400 -0.067 0.000 2.388 23 D HA 0.212 4.853 4.640 0.000 0.000 0.221 23 D C -0.285 175.977 176.300 -0.063 0.000 1.133 23 D CA 0.052 54.017 54.000 -0.059 0.000 0.831 23 D CB 0.189 40.950 40.800 -0.064 0.000 0.962 23 D HN -0.035 nan 8.370 nan 0.000 0.502 24 V N 1.887 121.759 119.914 -0.070 0.000 2.572 24 V HA -0.025 4.095 4.120 0.000 0.000 0.291 24 V C 0.932 177.044 176.094 0.030 0.000 1.039 24 V CA -0.592 61.669 62.300 -0.065 0.000 1.055 24 V CB 0.748 32.523 31.823 -0.080 0.000 0.969 24 V HN 0.100 nan 8.190 nan 0.000 0.482 25 N N 4.681 123.447 118.700 0.111 0.000 2.406 25 N HA 0.088 4.828 4.740 0.000 0.000 0.269 25 N C 0.826 176.439 175.510 0.171 0.000 1.210 25 N CA 0.237 53.372 53.050 0.141 0.000 0.966 25 N CB 0.376 38.961 38.487 0.162 0.000 1.293 25 N HN 0.684 nan 8.380 nan 0.000 0.491 26 L N 2.300 123.573 121.223 0.085 0.000 2.265 26 L HA -0.136 4.204 4.340 0.000 0.000 0.215 26 L C 2.097 178.979 176.870 0.019 0.000 1.117 26 L CA 0.878 55.754 54.840 0.060 0.000 0.782 26 L CB -0.369 41.708 42.059 0.030 0.000 0.914 26 L HN 0.557 nan 8.230 nan 0.000 0.441 27 A N 0.068 122.889 122.820 0.001 0.000 2.024 27 A HA -0.189 4.131 4.320 0.000 0.000 0.220 27 A C 1.804 179.332 177.584 -0.093 0.000 1.164 27 A CA 1.588 53.603 52.037 -0.036 0.000 0.643 27 A CB -0.382 18.599 19.000 -0.031 0.000 0.806 27 A HN 0.417 nan 8.150 nan 0.000 0.451 28 N N -0.543 118.065 118.700 -0.154 0.000 2.336 28 N HA 0.064 4.804 4.740 0.000 0.000 0.189 28 N C 0.198 175.460 175.510 -0.414 0.000 1.113 28 N CA 0.200 53.002 53.050 -0.413 0.000 0.858 28 N CB 0.027 38.003 38.487 -0.851 0.000 0.970 28 N HN 0.425 nan 8.380 nan 0.000 0.471 29 R N 0.721 121.139 120.500 -0.136 0.000 2.312 29 R HA 0.194 4.535 4.340 0.000 0.000 0.311 29 R C 0.792 177.062 176.300 -0.051 0.000 1.004 29 R CA -0.217 55.858 56.100 -0.041 0.000 0.902 29 R CB 1.086 31.415 30.300 0.048 0.000 1.073 29 R HN 0.102 nan 8.270 nan 0.000 0.457 30 S N 1.795 117.469 115.700 -0.044 0.000 2.650 30 S HA 0.228 4.698 4.470 0.000 0.000 0.251 30 S C 0.616 175.205 174.600 -0.019 0.000 1.325 30 S CA -0.225 57.956 58.200 -0.033 0.000 0.967 30 S CB 0.702 63.887 63.200 -0.026 0.000 1.000 30 S HN 0.631 nan 8.310 nan 0.000 0.584 31 G N -0.918 107.873 108.800 -0.015 0.000 2.531 31 G HA2 0.554 4.515 3.960 0.000 0.000 0.313 31 G HA3 0.554 4.515 3.960 0.000 0.000 0.313 31 G C -0.105 174.785 174.900 -0.018 0.000 1.238 31 G CA -0.502 44.593 45.100 -0.009 0.000 0.994 31 G HN 1.454 nan 8.290 nan 0.000 0.493 32 V N -0.574 119.331 119.914 -0.016 0.000 2.740 32 V HA 0.580 4.700 4.120 0.000 0.000 0.303 32 V C 1.193 177.251 176.094 -0.060 0.000 1.054 32 V CA -0.248 62.019 62.300 -0.054 0.000 1.106 32 V CB 0.218 32.010 31.823 -0.050 0.000 0.957 32 V HN 0.938 nan 8.190 nan 0.000 0.486 33 G N 4.135 112.870 108.800 -0.108 0.000 2.525 33 G HA2 0.456 4.416 3.960 0.000 0.000 0.276 33 G HA3 0.456 4.416 3.960 0.000 0.000 0.276 33 G C -2.007 172.830 174.900 -0.105 0.000 1.388 33 G CA -0.769 44.276 45.100 -0.091 0.000 1.050 33 G HN 0.828 nan 8.290 nan 0.000 0.520 34 P HA 0.267 nan 4.420 nan 0.000 0.275 34 P C -1.179 176.068 177.300 -0.089 0.000 1.266 34 P CA -0.230 62.879 63.100 0.015 0.000 0.793 34 P CB 0.622 32.345 31.700 0.038 0.000 1.074 35 F N -0.527 119.416 119.950 -0.012 0.000 2.411 35 F HA 0.262 4.789 4.527 0.000 0.000 0.352 35 F C 1.108 176.895 175.800 -0.023 0.000 1.123 35 F CA -0.268 57.719 58.000 -0.022 0.000 1.044 35 F CB 1.454 40.434 39.000 -0.033 0.000 1.135 35 F HN 0.083 nan 8.300 nan 0.000 0.461 36 S N 2.550 118.312 115.700 0.103 0.000 2.464 36 S HA 0.136 4.606 4.470 0.000 0.000 0.313 36 S C 1.114 175.736 174.600 0.037 0.000 1.078 36 S CA -0.464 57.775 58.200 0.066 0.000 1.096 36 S CB 0.426 63.651 63.200 0.043 0.000 1.032 36 S HN 0.766 nan 8.310 nan 0.000 0.498 37 T N 5.307 119.866 114.554 0.008 0.000 2.822 37 T HA -0.144 4.206 4.350 0.000 0.000 0.270 37 T C 1.638 176.253 174.700 -0.141 0.000 1.064 37 T CA 1.673 63.699 62.100 -0.124 0.000 1.131 37 T CB -0.320 68.499 68.868 -0.081 0.000 0.858 37 T HN 0.601 nan 8.240 nan 0.000 0.483 38 L N 0.602 121.868 121.223 0.072 0.000 1.988 38 L HA 0.024 4.364 4.340 0.000 0.000 0.207 38 L C 2.083 179.101 176.870 0.246 0.000 1.071 38 L CA 1.548 56.530 54.840 0.237 0.000 0.744 38 L CB -0.793 41.369 42.059 0.171 0.000 0.893 38 L HN 0.104 nan 8.230 nan 0.000 0.433 39 L N 0.451 121.761 121.223 0.146 0.000 2.043 39 L HA -0.121 4.219 4.340 0.000 0.000 0.212 39 L C 2.489 179.465 176.870 0.176 0.000 1.075 39 L CA 2.042 56.982 54.840 0.166 0.000 0.752 39 L CB -1.923 40.196 42.059 0.100 0.000 0.891 39 L HN 0.460 nan 8.230 nan 0.000 0.432 40 G N -2.491 106.326 108.800 0.028 0.000 2.586 40 G HA2 -0.276 3.684 3.960 0.000 0.000 0.215 40 G HA3 -0.276 3.684 3.960 0.000 0.000 0.215 40 G C 1.288 176.150 174.900 -0.063 0.000 1.128 40 G CA 0.338 45.400 45.100 -0.064 0.000 0.774 40 G HN 0.493 nan 8.290 nan 0.000 0.543 41 W N -1.466 119.954 121.300 0.201 0.000 2.518 41 W HA 0.285 4.945 4.660 0.000 0.000 0.273 41 W C 1.873 178.658 176.519 0.444 0.000 1.247 41 W CA -0.341 57.166 57.345 0.271 0.000 1.288 41 W CB -0.041 29.543 29.460 0.206 0.000 1.107 41 W HN 0.171 nan 8.180 nan 0.000 0.586 42 F N -0.983 119.221 119.950 0.423 0.000 2.557 42 F HA 0.438 4.966 4.527 0.000 0.000 0.278 42 F C 1.488 177.365 175.800 0.129 0.000 1.051 42 F CA 1.236 59.407 58.000 0.286 0.000 1.357 42 F CB -0.345 38.826 39.000 0.285 0.000 1.104 42 F HN -0.245 nan 8.300 nan 0.000 0.654 43 G N -0.504 108.414 108.800 0.197 0.000 3.259 43 G HA2 0.194 4.155 3.960 0.000 0.000 0.178 43 G HA3 0.194 4.155 3.960 0.000 0.000 0.178 43 G C -1.236 173.697 174.900 0.056 0.000 1.129 43 G CA -0.698 44.432 45.100 0.051 0.000 0.816 43 G HN -0.066 nan 8.290 nan 0.000 0.634 44 N N 0.689 119.411 118.700 0.038 0.000 2.520 44 N HA 0.402 5.142 4.740 0.000 0.000 0.273 44 N C 1.159 176.686 175.510 0.029 0.000 1.155 44 N CA 0.381 53.447 53.050 0.025 0.000 0.967 44 N CB 1.709 40.198 38.487 0.004 0.000 1.092 44 N HN 0.514 nan 8.380 nan 0.000 0.457 45 A N 2.692 125.539 122.820 0.044 0.000 1.968 45 A HA -0.120 4.200 4.320 0.000 0.000 0.217 45 A C 1.030 178.592 177.584 -0.036 0.000 1.169 45 A CA 0.756 52.833 52.037 0.068 0.000 0.638 45 A CB -0.317 18.781 19.000 0.164 0.000 0.812 45 A HN 0.776 nan 8.150 nan 0.000 0.446 46 Q N 0.470 120.183 119.800 -0.145 0.000 2.337 46 Q HA 0.319 4.659 4.340 0.000 0.000 0.270 46 Q C -1.090 174.686 176.000 -0.373 0.000 1.002 46 Q CA -0.085 55.367 55.803 -0.586 0.000 0.888 46 Q CB 0.350 28.824 28.738 -0.440 0.000 1.222 46 Q HN 0.301 nan 8.270 nan 0.000 0.400 47 L N 3.556 124.514 121.223 -0.442 0.000 2.334 47 L HA 0.593 4.933 4.340 0.000 0.000 0.276 47 L C 0.723 177.462 176.870 -0.218 0.000 1.014 47 L CA 0.964 55.662 54.840 -0.236 0.000 0.815 47 L CB 0.687 42.644 42.059 -0.170 0.000 1.268 47 L HN 1.054 nan 8.230 nan 0.000 0.428 48 G N 4.399 113.123 108.800 -0.127 0.000 2.806 48 G HA2 -0.174 3.786 3.960 0.000 0.000 0.236 48 G HA3 -0.174 3.786 3.960 0.000 0.000 0.236 48 G C -2.850 171.995 174.900 -0.092 0.000 1.387 48 G CA -0.864 44.182 45.100 -0.090 0.000 0.884 48 G HN 0.415 nan 8.290 nan 0.000 0.560 49 P HA 0.597 nan 4.420 nan 0.000 0.277 49 P C 0.177 177.471 177.300 -0.010 0.000 1.276 49 P CA -0.566 62.516 63.100 -0.029 0.000 0.788 49 P CB 0.631 32.325 31.700 -0.010 0.000 1.114 50 I N -0.871 119.703 120.570 0.006 0.000 2.957 50 I HA 0.463 4.633 4.170 0.000 0.000 0.310 50 I C -1.383 174.772 176.117 0.064 0.000 1.063 50 I CA -1.306 60.014 61.300 0.034 0.000 1.033 50 I CB 1.718 39.736 38.000 0.031 0.000 1.230 50 I HN 0.184 nan 8.210 nan 0.000 0.447 51 Y N 6.327 126.593 120.300 -0.057 0.000 2.331 51 Y HA 0.385 4.935 4.550 0.000 0.000 0.338 51 Y C -0.470 175.393 175.900 -0.061 0.000 0.976 51 Y CA -0.579 57.482 58.100 -0.066 0.000 1.137 51 Y CB 0.890 39.295 38.460 -0.093 0.000 1.172 51 Y HN 0.461 nan 8.280 nan 0.000 0.478 52 L N 4.265 125.224 121.223 -0.440 0.000 2.044 52 L HA 0.446 4.786 4.340 0.000 0.000 0.218 52 L C 1.202 177.864 176.870 -0.347 0.000 1.133 52 L CA 1.194 55.852 54.840 -0.304 0.000 1.742 52 L CB -1.669 40.229 42.059 -0.269 0.000 1.442 52 L HN 0.917 nan 8.230 nan 0.000 0.839 53 G N -1.510 107.052 108.800 -0.397 0.000 2.733 53 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 53 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 53 G C 0.620 175.488 174.900 -0.053 0.000 1.373 53 G CA 0.015 45.002 45.100 -0.187 0.000 0.838 53 G HN 0.344 nan 8.290 nan 0.000 0.588 54 S N 0.295 115.988 115.700 -0.012 0.000 2.356 54 S HA -0.092 4.378 4.470 0.000 0.000 0.223 54 S C 2.587 177.212 174.600 0.041 0.000 1.032 54 S CA 1.508 59.714 58.200 0.009 0.000 1.005 54 S CB -0.283 62.925 63.200 0.014 0.000 0.867 54 S HN 0.566 nan 8.310 nan 0.000 0.449 55 L N 1.006 122.260 121.223 0.052 0.000 2.043 55 L HA -0.171 4.169 4.340 0.000 0.000 0.212 55 L C 2.670 179.589 176.870 0.082 0.000 1.075 55 L CA 1.605 56.486 54.840 0.068 0.000 0.752 55 L CB -1.212 40.874 42.059 0.045 0.000 0.891 55 L HN 0.483 nan 8.230 nan 0.000 0.432 56 G N -1.096 107.736 108.800 0.053 0.000 2.418 56 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 56 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 56 G C 1.589 176.569 174.900 0.134 0.000 1.158 56 G CA 0.814 45.957 45.100 0.071 0.000 0.771 56 G HN 0.231 nan 8.290 nan 0.000 0.545 57 V N 0.704 120.671 119.914 0.088 0.000 2.295 57 V HA -0.135 3.985 4.120 0.000 0.000 0.246 57 V C 2.692 178.882 176.094 0.160 0.000 1.049 57 V CA 1.705 64.064 62.300 0.098 0.000 1.024 57 V CB -0.414 31.429 31.823 0.033 0.000 0.648 57 V HN 0.375 nan 8.190 nan 0.000 0.447 58 L N 0.110 121.422 121.223 0.148 0.000 1.989 58 L HA -0.175 4.165 4.340 0.000 0.000 0.211 58 L C 2.638 179.665 176.870 0.263 0.000 1.071 58 L CA 2.623 57.587 54.840 0.206 0.000 0.749 58 L CB -1.004 41.155 42.059 0.167 0.000 0.890 58 L HN 0.325 nan 8.230 nan 0.000 0.431 59 S N -0.961 114.879 115.700 0.234 0.000 2.353 59 S HA -0.222 4.248 4.470 0.000 0.000 0.222 59 S C 2.039 176.758 174.600 0.198 0.000 1.035 59 S CA 1.840 60.191 58.200 0.253 0.000 1.025 59 S CB -0.672 62.763 63.200 0.391 0.000 0.902 59 S HN 0.494 nan 8.310 nan 0.000 0.440 60 L N 0.695 122.049 121.223 0.220 0.000 2.017 60 L HA 0.059 4.399 4.340 0.000 0.000 0.208 60 L C 2.008 178.938 176.870 0.101 0.000 1.073 60 L CA 2.236 57.154 54.840 0.131 0.000 0.745 60 L CB -1.074 41.078 42.059 0.157 0.000 0.894 60 L HN 0.464 nan 8.230 nan 0.000 0.432 61 F N -0.222 119.749 119.950 0.034 0.000 2.095 61 F HA -0.223 4.304 4.527 0.000 0.000 0.298 61 F C 2.709 178.488 175.800 -0.035 0.000 1.104 61 F CA 1.917 59.925 58.000 0.013 0.000 1.232 61 F CB -0.826 38.193 39.000 0.032 0.000 0.987 61 F HN 0.213 nan 8.300 nan 0.000 0.475 62 S N -0.128 115.551 115.700 -0.035 0.000 2.399 62 S HA -0.079 4.391 4.470 0.000 0.000 0.231 62 S C 2.258 176.776 174.600 -0.138 0.000 1.022 62 S CA 1.258 59.385 58.200 -0.122 0.000 0.983 62 S CB -1.133 62.168 63.200 0.169 0.000 0.803 62 S HN 0.603 nan 8.310 nan 0.000 0.480 63 G N 1.071 109.816 108.800 -0.090 0.000 2.403 63 G HA2 -0.023 3.937 3.960 0.000 0.000 0.216 63 G HA3 -0.023 3.937 3.960 0.000 0.000 0.216 63 G C 1.372 176.236 174.900 -0.060 0.000 1.154 63 G CA 0.545 45.608 45.100 -0.061 0.000 0.784 63 G HN 0.503 nan 8.290 nan 0.000 0.538 64 L N 0.030 121.111 121.223 -0.237 0.000 2.056 64 L HA -0.033 4.307 4.340 0.000 0.000 0.207 64 L C 3.026 179.627 176.870 -0.448 0.000 1.078 64 L CA 0.574 55.158 54.840 -0.427 0.000 0.749 64 L CB -0.331 41.521 42.059 -0.346 0.000 0.901 64 L HN 0.101 nan 8.230 nan 0.000 0.433 65 M N -1.075 118.224 119.600 -0.502 0.000 2.149 65 M HA -0.264 4.217 4.480 0.000 0.000 0.261 65 M C 2.122 178.277 176.300 -0.241 0.000 1.064 65 M CA 1.771 56.703 55.300 -0.613 0.000 1.102 65 M CB -1.295 30.335 32.600 -1.617 0.000 1.369 65 M HN 0.466 nan 8.290 nan 0.000 0.408 66 W N 0.428 121.575 121.300 -0.253 0.000 2.355 66 W HA -0.264 4.396 4.660 0.000 0.000 0.309 66 W C 2.224 178.651 176.519 -0.153 0.000 1.206 66 W CA 1.412 58.701 57.345 -0.094 0.000 1.284 66 W CB -0.858 28.537 29.460 -0.109 0.000 1.145 66 W HN 0.174 nan 8.180 nan 0.000 0.502 67 F N -0.145 119.502 119.950 -0.506 0.000 2.146 67 F HA -0.105 4.423 4.527 0.000 0.000 0.298 67 F C 2.070 177.563 175.800 -0.511 0.000 1.096 67 F CA 1.926 59.468 58.000 -0.764 0.000 1.275 67 F CB -0.938 37.673 39.000 -0.648 0.000 1.008 67 F HN -0.115 nan 8.300 nan 0.000 0.480 68 F N -0.597 119.223 119.950 -0.217 0.000 2.206 68 F HA -0.161 4.367 4.527 0.000 0.000 0.298 68 F C 2.363 178.051 175.800 -0.185 0.000 1.090 68 F CA 1.118 58.993 58.000 -0.207 0.000 1.323 68 F CB -0.843 38.100 39.000 -0.094 0.000 1.028 68 F HN -0.206 nan 8.300 nan 0.000 0.492 69 T N 0.864 115.426 114.554 0.013 0.000 2.803 69 T HA -0.177 4.173 4.350 0.000 0.000 0.269 69 T C 1.852 176.503 174.700 -0.081 0.000 1.052 69 T CA 1.320 63.433 62.100 0.022 0.000 1.136 69 T CB -0.366 68.552 68.868 0.084 0.000 0.864 69 T HN 0.202 nan 8.240 nan 0.000 0.467 70 I N 0.886 121.240 120.570 -0.360 0.000 2.406 70 I HA 0.028 4.198 4.170 0.000 0.000 0.249 70 I C 2.882 178.665 176.117 -0.557 0.000 1.122 70 I CA 0.999 61.993 61.300 -0.510 0.000 1.431 70 I CB -0.577 36.885 38.000 -0.897 0.000 1.087 70 I HN 0.272 nan 8.210 nan 0.000 0.424 71 G N 1.416 109.932 108.800 -0.474 0.000 2.402 71 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 71 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 71 G C 1.605 176.634 174.900 0.214 0.000 1.162 71 G CA 0.390 45.383 45.100 -0.179 0.000 0.777 71 G HN 0.124 nan 8.290 nan 0.000 0.539 72 I N 0.182 120.876 120.570 0.207 0.000 2.127 72 I HA -0.152 4.018 4.170 0.000 0.000 0.241 72 I C 2.389 178.670 176.117 0.274 0.000 1.075 72 I CA 0.614 62.083 61.300 0.281 0.000 1.334 72 I CB -1.163 36.978 38.000 0.235 0.000 1.040 72 I HN 0.476 nan 8.210 nan 0.000 0.405 73 W N 0.759 122.117 121.300 0.098 0.000 2.374 73 W HA -0.282 4.378 4.660 0.000 0.000 0.288 73 W C 2.291 178.929 176.519 0.198 0.000 1.218 73 W CA 1.025 58.460 57.345 0.150 0.000 1.245 73 W CB -0.314 29.251 29.460 0.174 0.000 1.126 73 W HN 0.023 nan 8.180 nan 0.000 0.545 74 F N -0.514 119.338 119.950 -0.163 0.000 2.146 74 F HA -0.090 4.437 4.527 0.000 0.000 0.298 74 F C 2.107 177.404 175.800 -0.838 0.000 1.096 74 F CA 1.052 58.674 58.000 -0.629 0.000 1.275 74 F CB -1.645 37.119 39.000 -0.394 0.000 1.008 74 F HN -0.129 nan 8.300 nan 0.000 0.480 75 W N -1.088 120.079 121.300 -0.221 0.000 2.335 75 W HA -0.276 4.384 4.660 0.000 0.000 0.311 75 W C 2.654 178.518 176.519 -1.091 0.000 1.213 75 W CA 1.870 58.910 57.345 -0.508 0.000 1.274 75 W CB -1.188 28.004 29.460 -0.448 0.000 1.148 75 W HN 0.083 nan 8.180 nan 0.000 0.498 76 Y N 1.174 120.808 120.300 -1.109 0.000 2.165 76 Y HA -0.341 4.209 4.550 0.000 0.000 0.286 76 Y C 2.365 177.739 175.900 -0.876 0.000 1.155 76 Y CA 2.271 59.642 58.100 -1.215 0.000 1.164 76 Y CB -0.706 37.345 38.460 -0.682 0.000 0.978 76 Y HN 0.032 nan 8.280 nan 0.000 0.513 77 Q N -0.598 118.670 119.800 -0.887 0.000 2.224 77 Q HA -0.087 4.253 4.340 0.000 0.000 0.203 77 Q C 2.038 177.727 176.000 -0.519 0.000 0.970 77 Q CA 0.926 56.273 55.803 -0.760 0.000 0.865 77 Q CB -0.170 28.139 28.738 -0.715 0.000 0.922 77 Q HN 0.609 nan 8.270 nan 0.000 0.445 78 A N -0.049 122.406 122.820 -0.608 0.000 2.251 78 A HA 0.273 4.593 4.320 0.000 0.000 0.209 78 A C 1.337 178.795 177.584 -0.210 0.000 1.187 78 A CA 0.602 52.494 52.037 -0.242 0.000 0.823 78 A CB -0.289 18.619 19.000 -0.153 0.000 0.846 78 A HN 0.397 nan 8.150 nan 0.000 0.486 79 G N -1.903 106.640 108.800 -0.427 0.000 2.305 79 G HA2 -0.310 3.651 3.960 0.000 0.000 0.287 79 G HA3 -0.310 3.651 3.960 0.000 0.000 0.287 79 G C 0.347 175.245 174.900 -0.004 0.000 1.036 79 G CA 0.393 45.320 45.100 -0.288 0.000 0.887 79 G HN 1.157 nan 8.290 nan 0.000 0.505 80 W N -2.768 118.596 121.300 0.107 0.000 2.589 80 W HA -0.204 4.456 4.660 0.000 0.000 0.272 80 W C 0.707 177.388 176.519 0.270 0.000 1.060 80 W CA 0.236 57.707 57.345 0.210 0.000 0.533 80 W CB -1.894 27.592 29.460 0.044 0.000 2.084 80 W HN 0.584 nan 8.180 nan 0.000 1.371 81 N N 1.381 120.290 118.700 0.347 0.000 2.415 81 N HA 0.160 4.900 4.740 0.000 0.000 0.246 81 N C -1.040 174.671 175.510 0.336 0.000 1.078 81 N CA -1.608 51.610 53.050 0.280 0.000 0.942 81 N CB 1.204 39.782 38.487 0.151 0.000 1.140 81 N HN -0.211 nan 8.380 nan 0.000 0.501 82 P HA -0.172 nan 4.420 nan 0.000 0.216 82 P C 0.740 178.173 177.300 0.222 0.000 1.154 82 P CA 1.528 64.861 63.100 0.388 0.000 0.865 82 P CB 0.276 32.166 31.700 0.316 0.000 0.789 83 A N -1.149 121.766 122.820 0.157 0.000 1.968 83 A HA -0.089 4.231 4.320 0.000 0.000 0.217 83 A C 2.305 179.925 177.584 0.060 0.000 1.169 83 A CA 1.390 53.482 52.037 0.092 0.000 0.638 83 A CB -1.427 17.611 19.000 0.064 0.000 0.812 83 A HN 0.054 nan 8.150 nan 0.000 0.446 84 V N -1.378 118.584 119.914 0.079 0.000 2.453 84 V HA -0.163 3.957 4.120 0.000 0.000 0.247 84 V C 2.168 178.323 176.094 0.102 0.000 1.048 84 V CA 1.701 64.031 62.300 0.051 0.000 1.049 84 V CB -0.899 30.959 31.823 0.059 0.000 0.672 84 V HN 0.602 nan 8.190 nan 0.000 0.457 85 F N 0.634 120.542 119.950 -0.070 0.000 2.063 85 F HA -0.256 4.272 4.527 0.000 0.000 0.298 85 F C 2.087 177.840 175.800 -0.078 0.000 1.109 85 F CA 1.934 59.830 58.000 -0.174 0.000 1.212 85 F CB -0.211 38.313 39.000 -0.794 0.000 0.973 85 F HN 0.015 nan 8.300 nan 0.000 0.480 86 L N -0.386 120.832 121.223 -0.008 0.000 2.109 86 L HA -0.152 4.188 4.340 0.000 0.000 0.207 86 L C 2.626 179.367 176.870 -0.214 0.000 1.086 86 L CA 1.409 56.183 54.840 -0.111 0.000 0.760 86 L CB -0.847 41.214 42.059 0.004 0.000 0.910 86 L HN 0.160 nan 8.230 nan 0.000 0.437 87 R N 0.391 120.791 120.500 -0.167 0.000 2.092 87 R HA -0.150 4.190 4.340 0.000 0.000 0.231 87 R C 0.701 176.818 176.300 -0.306 0.000 1.119 87 R CA 1.656 57.634 56.100 -0.202 0.000 0.970 87 R CB 0.127 30.332 30.300 -0.158 0.000 0.864 87 R HN 0.256 nan 8.270 nan 0.000 0.440 88 D N 0.065 120.204 120.400 -0.434 0.000 2.402 88 D HA 0.008 4.648 4.640 0.000 0.000 0.216 88 D C 1.185 176.879 176.300 -1.011 0.000 1.128 88 D CA -0.135 53.436 54.000 -0.715 0.000 0.833 88 D CB 0.510 40.705 40.800 -1.008 0.000 0.971 88 D HN 0.088 nan 8.370 nan 0.000 0.503 89 L N 0.226 121.047 121.223 -0.670 0.000 2.021 89 L HA -0.195 4.145 4.340 0.000 0.000 0.215 89 L C 1.427 178.125 176.870 -0.286 0.000 1.074 89 L CA 1.754 56.295 54.840 -0.498 0.000 0.760 89 L CB -0.446 41.324 42.059 -0.482 0.000 0.889 89 L HN -0.007 nan 8.230 nan 0.000 0.433 90 F N -1.819 117.793 119.950 -0.563 0.000 2.748 90 F HA 0.017 4.544 4.527 0.000 0.000 0.299 90 F C 1.860 177.070 175.800 -0.983 0.000 1.154 90 F CA 0.168 57.605 58.000 -0.938 0.000 1.446 90 F CB -1.153 36.811 39.000 -1.726 0.000 1.112 90 F HN 0.071 nan 8.300 nan 0.000 0.584 91 F N -1.979 117.648 119.950 -0.538 0.000 2.656 91 F HA 0.144 4.671 4.527 0.000 0.000 0.291 91 F C 0.841 176.403 175.800 -0.397 0.000 1.122 91 F CA -0.437 57.350 58.000 -0.356 0.000 1.427 91 F CB -0.371 38.402 39.000 -0.378 0.000 1.125 91 F HN -0.346 nan 8.300 nan 0.000 0.583 92 F N 0.590 120.327 119.950 -0.354 0.000 2.545 92 F HA 0.325 4.852 4.527 0.000 0.000 0.348 92 F C 0.728 176.269 175.800 -0.432 0.000 1.163 92 F CA -0.492 57.080 58.000 -0.713 0.000 1.331 92 F CB 0.310 38.206 39.000 -1.841 0.000 1.138 92 F HN -0.344 nan 8.300 nan 0.000 0.602 93 S N 2.212 118.044 115.700 0.221 0.000 2.626 93 S HA 0.445 4.915 4.470 0.000 0.000 0.275 93 S C -1.830 173.208 174.600 0.730 0.000 1.175 93 S CA -0.715 57.790 58.200 0.508 0.000 0.982 93 S CB 0.602 64.010 63.200 0.346 0.000 1.093 93 S HN 0.537 nan 8.310 nan 0.000 0.472 94 L N 5.287 126.943 121.223 0.721 0.000 2.261 94 L HA 0.601 4.941 4.340 0.000 0.000 0.289 94 L C -0.273 176.794 176.870 0.328 0.000 1.059 94 L CA 0.419 55.478 54.840 0.365 0.000 0.816 94 L CB 0.552 42.819 42.059 0.347 0.000 1.191 94 L HN 0.641 nan 8.230 nan 0.000 0.431 95 E N 6.957 127.222 120.200 0.108 0.000 2.202 95 E HA 0.482 4.832 4.350 0.000 0.000 0.272 95 E C -2.508 173.901 176.600 -0.317 0.000 0.951 95 E CA -1.892 54.484 56.400 -0.041 0.000 0.813 95 E CB 1.260 30.976 29.700 0.026 0.000 1.151 95 E HN 0.451 nan 8.360 nan 0.000 0.398 96 P HA 0.173 nan 4.420 nan 0.000 0.272 96 P C -2.524 174.517 177.300 -0.432 0.000 1.240 96 P CA -1.328 61.084 63.100 -1.146 0.000 0.791 96 P CB -0.535 30.257 31.700 -1.514 0.000 0.978 97 P HA 0.040 nan 4.420 nan 0.000 0.269 97 P C -0.153 177.151 177.300 0.007 0.000 1.217 97 P CA 0.275 63.317 63.100 -0.097 0.000 0.783 97 P CB 0.036 31.709 31.700 -0.045 0.000 0.898 98 A N 3.872 126.783 122.820 0.153 0.000 2.406 98 A HA 0.259 4.580 4.320 0.000 0.000 0.243 98 A C -1.282 176.373 177.584 0.119 0.000 1.082 98 A CA -0.803 51.315 52.037 0.135 0.000 0.786 98 A CB -1.129 17.969 19.000 0.164 0.000 1.029 98 A HN 0.420 nan 8.150 nan 0.000 0.495 99 P HA -0.167 nan 4.420 nan 0.000 0.216 99 P C 0.771 178.058 177.300 -0.022 0.000 1.150 99 P CA 1.619 64.717 63.100 -0.004 0.000 0.843 99 P CB 0.118 31.801 31.700 -0.027 0.000 0.787 100 E N -1.860 118.305 120.200 -0.058 0.000 2.204 100 E HA -0.180 4.170 4.350 0.000 0.000 0.195 100 E C 1.398 177.867 176.600 -0.217 0.000 0.990 100 E CA 1.057 57.357 56.400 -0.167 0.000 0.821 100 E CB -0.899 28.647 29.700 -0.257 0.000 0.750 100 E HN 0.477 nan 8.360 nan 0.000 0.477 101 Y N -0.161 120.127 120.300 -0.020 0.000 2.546 101 Y HA 0.102 4.652 4.550 0.000 0.000 0.287 101 Y C 1.802 177.678 175.900 -0.040 0.000 1.158 101 Y CA 0.247 58.343 58.100 -0.008 0.000 1.307 101 Y CB -0.145 38.328 38.460 0.022 0.000 1.036 101 Y HN 0.109 nan 8.280 nan 0.000 0.532 102 G N 0.983 109.800 108.800 0.028 0.000 2.651 102 G HA2 -0.371 3.589 3.960 0.000 0.000 0.315 102 G HA3 -0.371 3.589 3.960 0.000 0.000 0.315 102 G C 0.601 175.364 174.900 -0.229 0.000 1.258 102 G CA 0.723 45.765 45.100 -0.097 0.000 1.002 102 G HN 0.282 nan 8.290 nan 0.000 0.551 103 L N 1.794 122.816 121.223 -0.336 0.000 2.700 103 L HA 0.365 4.706 4.340 0.000 0.000 0.234 103 L C 1.740 178.489 176.870 -0.202 0.000 1.156 103 L CA 0.558 54.998 54.840 -0.668 0.000 0.946 103 L CB 0.156 41.793 42.059 -0.704 0.000 1.216 103 L HN 0.659 nan 8.230 nan 0.000 0.493 104 S N -0.781 114.915 115.700 -0.007 0.000 2.603 104 S HA 0.186 4.657 4.470 0.000 0.000 0.268 104 S C 0.264 174.886 174.600 0.037 0.000 1.317 104 S CA -0.208 58.058 58.200 0.109 0.000 1.012 104 S CB 0.605 63.905 63.200 0.166 0.000 0.926 104 S HN 0.177 nan 8.310 nan 0.000 0.539 105 F N 0.940 121.005 119.950 0.192 0.000 2.668 105 F HA 0.442 4.969 4.527 0.000 0.000 0.297 105 F C 1.729 177.550 175.800 0.035 0.000 1.124 105 F CA -0.095 57.964 58.000 0.098 0.000 1.353 105 F CB -0.249 38.782 39.000 0.052 0.000 0.992 105 F HN 0.755 nan 8.300 nan 0.000 0.524 106 A N 0.080 123.006 122.820 0.177 0.000 2.307 106 A HA 0.602 4.923 4.320 0.000 0.000 0.218 106 A C 1.302 178.890 177.584 0.008 0.000 1.228 106 A CA 0.121 52.238 52.037 0.133 0.000 0.857 106 A CB -0.658 18.456 19.000 0.190 0.000 0.897 106 A HN 0.149 nan 8.150 nan 0.000 0.495 107 A N 1.224 123.897 122.820 -0.246 0.000 2.425 107 A HA 0.554 4.875 4.320 0.000 0.000 0.249 107 A C -2.441 174.956 177.584 -0.312 0.000 1.084 107 A CA -1.077 50.520 52.037 -0.732 0.000 0.781 107 A CB -0.275 18.186 19.000 -0.898 0.000 1.019 107 A HN 0.245 nan 8.150 nan 0.000 0.490 108 P HA 0.133 nan 4.420 nan 0.000 0.275 108 P C 1.269 178.517 177.300 -0.088 0.000 1.228 108 P CA -0.573 62.477 63.100 -0.083 0.000 0.786 108 P CB 0.509 32.205 31.700 -0.006 0.000 0.927 109 L N 1.665 122.862 121.223 -0.044 0.000 2.040 109 L HA -0.303 4.037 4.340 0.000 0.000 0.228 109 L C 1.855 178.671 176.870 -0.090 0.000 1.092 109 L CA 2.168 56.981 54.840 -0.046 0.000 0.805 109 L CB -0.582 41.477 42.059 -0.000 0.000 0.905 109 L HN 0.552 nan 8.230 nan 0.000 0.443 110 K N -0.722 119.667 120.400 -0.018 0.000 2.432 110 K HA -0.064 4.256 4.320 0.000 0.000 0.196 110 K C 0.711 177.300 176.600 -0.018 0.000 1.038 110 K CA 0.554 56.869 56.287 0.047 0.000 0.986 110 K CB 0.145 32.774 32.500 0.214 0.000 0.782 110 K HN 0.396 nan 8.250 nan 0.000 0.485 111 E N -0.807 119.355 120.200 -0.063 0.000 2.995 111 E HA 0.134 4.484 4.350 0.000 0.000 0.203 111 E C 0.255 176.767 176.600 -0.148 0.000 0.980 111 E CA -0.130 56.239 56.400 -0.052 0.000 1.172 111 E CB 1.384 31.100 29.700 0.027 0.000 1.088 111 E HN 0.380 nan 8.360 nan 0.000 0.463 112 G N -0.070 108.623 108.800 -0.178 0.000 2.705 112 G HA2 -0.215 3.745 3.960 0.000 0.000 0.193 112 G HA3 -0.215 3.745 3.960 0.000 0.000 0.193 112 G C 1.113 175.973 174.900 -0.067 0.000 1.015 112 G CA -0.165 44.851 45.100 -0.141 0.000 0.743 112 G HN 0.386 nan 8.290 nan 0.000 0.476 113 G N 0.819 109.550 108.800 -0.115 0.000 2.422 113 G HA2 0.075 4.035 3.960 0.000 0.000 0.218 113 G HA3 0.075 4.035 3.960 0.000 0.000 0.218 113 G C 1.697 176.578 174.900 -0.031 0.000 1.146 113 G CA 1.571 46.632 45.100 -0.065 0.000 0.769 113 G HN 0.573 nan 8.290 nan 0.000 0.547 114 L N -0.691 120.491 121.223 -0.069 0.000 2.141 114 L HA 0.146 4.486 4.340 0.000 0.000 0.209 114 L C 2.286 179.160 176.870 0.007 0.000 1.094 114 L CA 0.899 55.705 54.840 -0.057 0.000 0.763 114 L CB -0.743 41.224 42.059 -0.153 0.000 0.908 114 L HN 0.514 nan 8.230 nan 0.000 0.437 115 W N -0.262 120.955 121.300 -0.140 0.000 2.355 115 W HA -0.213 4.447 4.660 0.000 0.000 0.309 115 W C 2.223 178.762 176.519 0.033 0.000 1.206 115 W CA 1.638 58.979 57.345 -0.007 0.000 1.284 115 W CB -0.144 29.266 29.460 -0.083 0.000 1.145 115 W HN 0.072 nan 8.180 nan 0.000 0.502 116 L N 0.151 121.449 121.223 0.125 0.000 2.083 116 L HA -0.238 4.102 4.340 0.000 0.000 0.209 116 L C 2.385 179.186 176.870 -0.115 0.000 1.083 116 L CA 1.381 56.170 54.840 -0.085 0.000 0.752 116 L CB -0.792 41.245 42.059 -0.035 0.000 0.899 116 L HN 0.045 nan 8.230 nan 0.000 0.433 117 I N -0.310 120.211 120.570 -0.082 0.000 2.202 117 I HA -0.275 3.895 4.170 0.000 0.000 0.242 117 I C 2.828 178.894 176.117 -0.085 0.000 1.091 117 I CA 1.163 62.380 61.300 -0.139 0.000 1.368 117 I CB -0.500 37.448 38.000 -0.087 0.000 1.058 117 I HN 0.190 nan 8.210 nan 0.000 0.410 118 A N 0.269 123.095 122.820 0.009 0.000 1.883 118 A HA -0.236 4.084 4.320 0.000 0.000 0.217 118 A C 2.491 180.169 177.584 0.156 0.000 1.186 118 A CA 2.421 54.531 52.037 0.122 0.000 0.624 118 A CB -0.910 18.020 19.000 -0.117 0.000 0.822 118 A HN 0.398 nan 8.150 nan 0.000 0.444 119 S N -1.129 114.495 115.700 -0.126 0.000 2.359 119 S HA -0.186 4.284 4.470 0.000 0.000 0.224 119 S C 1.662 176.265 174.600 0.004 0.000 1.035 119 S CA 1.592 59.690 58.200 -0.170 0.000 1.018 119 S CB -0.590 62.208 63.200 -0.668 0.000 0.876 119 S HN 0.634 nan 8.310 nan 0.000 0.448 120 F N 1.682 121.535 119.950 -0.161 0.000 2.091 120 F HA -0.181 4.346 4.527 0.000 0.000 0.299 120 F C 1.734 177.544 175.800 0.017 0.000 1.103 120 F CA 1.462 59.378 58.000 -0.140 0.000 1.228 120 F CB -0.416 38.392 39.000 -0.320 0.000 0.984 120 F HN 0.118 nan 8.300 nan 0.000 0.477 121 F N -0.148 119.891 119.950 0.148 0.000 2.234 121 F HA -0.180 4.347 4.527 0.000 0.000 0.299 121 F C 2.591 178.355 175.800 -0.059 0.000 1.087 121 F CA 1.421 59.454 58.000 0.056 0.000 1.340 121 F CB -1.035 38.059 39.000 0.156 0.000 1.031 121 F HN 0.063 nan 8.300 nan 0.000 0.500 122 M N -1.401 118.224 119.600 0.041 0.000 2.132 122 M HA -0.220 4.260 4.480 0.000 0.000 0.263 122 M C 2.317 178.609 176.300 -0.014 0.000 1.065 122 M CA 1.627 56.736 55.300 -0.318 0.000 1.122 122 M CB -0.432 31.741 32.600 -0.712 0.000 1.365 122 M HN 0.189 nan 8.290 nan 0.000 0.411 123 F N 0.313 120.281 119.950 0.030 0.000 2.069 123 F HA -0.252 4.275 4.527 0.000 0.000 0.298 123 F C 2.236 178.132 175.800 0.160 0.000 1.113 123 F CA 2.203 60.326 58.000 0.205 0.000 1.214 123 F CB -0.451 38.545 39.000 -0.008 0.000 0.978 123 F HN 0.098 nan 8.300 nan 0.000 0.474 124 V N -0.059 119.960 119.914 0.174 0.000 2.548 124 V HA -0.032 4.089 4.120 0.000 0.000 0.249 124 V C 2.176 178.336 176.094 0.110 0.000 1.055 124 V CA 1.575 63.950 62.300 0.125 0.000 1.065 124 V CB -1.163 30.662 31.823 0.003 0.000 0.681 124 V HN 0.366 nan 8.190 nan 0.000 0.462 125 A N 0.220 123.063 122.820 0.039 0.000 1.902 125 A HA -0.065 4.255 4.320 0.000 0.000 0.217 125 A C 2.367 179.931 177.584 -0.033 0.000 1.181 125 A CA 2.267 54.304 52.037 0.002 0.000 0.623 125 A CB -0.847 18.087 19.000 -0.110 0.000 0.818 125 A HN 0.500 nan 8.150 nan 0.000 0.443 126 V N -2.305 117.465 119.914 -0.240 0.000 2.283 126 V HA -0.251 3.869 4.120 0.000 0.000 0.243 126 V C 2.262 178.230 176.094 -0.210 0.000 1.039 126 V CA 1.722 63.756 62.300 -0.442 0.000 1.016 126 V CB -0.992 30.061 31.823 -1.283 0.000 0.650 126 V HN 0.793 nan 8.190 nan 0.000 0.449 127 W N 0.801 122.003 121.300 -0.163 0.000 2.358 127 W HA -0.194 4.466 4.660 0.000 0.000 0.303 127 W C 2.957 179.574 176.519 0.164 0.000 1.208 127 W CA 1.601 58.913 57.345 -0.056 0.000 1.274 127 W CB -0.440 28.880 29.460 -0.234 0.000 1.138 127 W HN 0.363 nan 8.180 nan 0.000 0.515 128 S N -1.005 114.906 115.700 0.352 0.000 2.423 128 S HA -0.230 4.241 4.470 0.000 0.000 0.231 128 S C 1.664 176.433 174.600 0.282 0.000 1.014 128 S CA 0.856 59.228 58.200 0.287 0.000 0.965 128 S CB -1.089 62.246 63.200 0.225 0.000 0.785 128 S HN 0.487 nan 8.310 nan 0.000 0.495 129 W N 0.791 122.178 121.300 0.146 0.000 2.436 129 W HA -0.019 4.641 4.660 0.000 0.000 0.284 129 W C 1.847 178.543 176.519 0.296 0.000 1.225 129 W CA 0.719 58.150 57.345 0.143 0.000 1.271 129 W CB -0.449 29.055 29.460 0.072 0.000 1.114 129 W HN 0.518 nan 8.180 nan 0.000 0.559 130 W N 1.599 123.144 121.300 0.408 0.000 2.355 130 W HA -0.097 4.564 4.660 0.000 0.000 0.309 130 W C 2.474 179.126 176.519 0.222 0.000 1.206 130 W CA 3.390 60.954 57.345 0.365 0.000 1.284 130 W CB -0.946 28.522 29.460 0.014 0.000 1.145 130 W HN -0.116 nan 8.180 nan 0.000 0.502 131 G N 0.402 109.281 108.800 0.130 0.000 2.469 131 G HA2 -0.354 3.606 3.960 0.000 0.000 0.220 131 G HA3 -0.354 3.606 3.960 0.000 0.000 0.220 131 G C 1.618 176.376 174.900 -0.237 0.000 1.136 131 G CA 1.150 46.150 45.100 -0.166 0.000 0.759 131 G HN 0.348 nan 8.290 nan 0.000 0.562 132 R N 0.258 120.627 120.500 -0.219 0.000 2.081 132 R HA -0.106 4.234 4.340 0.000 0.000 0.235 132 R C 2.956 179.005 176.300 -0.418 0.000 1.131 132 R CA 2.041 57.929 56.100 -0.355 0.000 0.960 132 R CB -0.495 29.454 30.300 -0.584 0.000 0.856 132 R HN 0.499 nan 8.270 nan 0.000 0.436 133 T N -2.110 112.195 114.554 -0.415 0.000 2.867 133 T HA -0.191 4.160 4.350 0.000 0.000 0.268 133 T C 1.775 176.256 174.700 -0.365 0.000 1.057 133 T CA 1.103 62.990 62.100 -0.355 0.000 1.136 133 T CB -0.559 68.189 68.868 -0.201 0.000 0.874 133 T HN 0.354 nan 8.240 nan 0.000 0.466 134 Y N 1.964 121.915 120.300 -0.581 0.000 2.109 134 Y HA 0.099 4.650 4.550 0.000 0.000 0.285 134 Y C 2.209 177.862 175.900 -0.411 0.000 1.131 134 Y CA 1.231 58.990 58.100 -0.567 0.000 1.121 134 Y CB -0.428 37.589 38.460 -0.737 0.000 0.987 134 Y HN 0.118 nan 8.280 nan 0.000 0.495 135 L N -0.329 120.823 121.223 -0.120 0.000 2.141 135 L HA -0.210 4.130 4.340 0.000 0.000 0.209 135 L C 2.494 179.196 176.870 -0.280 0.000 1.094 135 L CA 0.915 55.673 54.840 -0.137 0.000 0.763 135 L CB -0.455 41.541 42.059 -0.105 0.000 0.908 135 L HN 0.142 nan 8.230 nan 0.000 0.437 136 R N 0.136 120.431 120.500 -0.341 0.000 2.092 136 R HA -0.037 4.303 4.340 0.000 0.000 0.231 136 R C 2.284 178.381 176.300 -0.338 0.000 1.119 136 R CA 1.344 57.214 56.100 -0.384 0.000 0.970 136 R CB -0.868 29.206 30.300 -0.378 0.000 0.864 136 R HN 0.344 nan 8.270 nan 0.000 0.440 137 A N 1.175 123.781 122.820 -0.357 0.000 1.873 137 A HA -0.208 4.112 4.320 0.000 0.000 0.215 137 A C 2.234 179.608 177.584 -0.351 0.000 1.186 137 A CA 1.443 53.268 52.037 -0.353 0.000 0.616 137 A CB -0.503 18.245 19.000 -0.419 0.000 0.823 137 A HN 0.398 nan 8.150 nan 0.000 0.442 138 Q N -0.235 119.319 119.800 -0.411 0.000 2.045 138 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 138 Q C 2.056 177.925 176.000 -0.219 0.000 0.991 138 Q CA 2.136 57.747 55.803 -0.320 0.000 0.851 138 Q CB -0.420 28.162 28.738 -0.260 0.000 0.911 138 Q HN 0.562 nan 8.270 nan 0.000 0.418 139 A N 0.091 122.779 122.820 -0.221 0.000 2.125 139 A HA -0.068 4.253 4.320 0.000 0.000 0.219 139 A C 1.765 179.245 177.584 -0.174 0.000 1.156 139 A CA 0.924 52.848 52.037 -0.188 0.000 0.671 139 A CB -0.255 18.604 19.000 -0.236 0.000 0.794 139 A HN 0.482 nan 8.150 nan 0.000 0.459 140 L N -1.957 119.151 121.223 -0.192 0.000 2.640 140 L HA 0.265 4.605 4.340 0.000 0.000 0.230 140 L C 1.616 178.402 176.870 -0.141 0.000 1.123 140 L CA 0.554 55.298 54.840 -0.160 0.000 0.900 140 L CB 0.240 42.196 42.059 -0.171 0.000 1.146 140 L HN 0.517 nan 8.230 nan 0.000 0.484 141 G N 0.205 108.913 108.800 -0.152 0.000 2.143 141 G HA2 -0.298 3.662 3.960 0.000 0.000 0.249 141 G HA3 -0.298 3.662 3.960 0.000 0.000 0.249 141 G C 0.301 175.117 174.900 -0.141 0.000 0.981 141 G CA 0.134 45.155 45.100 -0.132 0.000 0.665 141 G HN 0.236 nan 8.290 nan 0.000 0.528 142 M N 0.656 120.152 119.600 -0.173 0.000 2.227 142 M HA 0.515 4.995 4.480 0.000 0.000 0.316 142 M C 1.458 177.644 176.300 -0.191 0.000 1.144 142 M CA 0.142 55.343 55.300 -0.165 0.000 1.121 142 M CB 0.607 33.103 32.600 -0.173 0.000 1.440 142 M HN 0.221 nan 8.290 nan 0.000 0.473 143 G N 0.775 109.507 108.800 -0.114 0.000 2.699 143 G HA2 0.097 4.057 3.960 0.000 0.000 0.246 143 G HA3 0.097 4.057 3.960 0.000 0.000 0.246 143 G C 0.252 175.005 174.900 -0.244 0.000 1.219 143 G CA -0.525 44.522 45.100 -0.089 0.000 0.866 143 G HN 0.641 nan 8.290 nan 0.000 0.572 144 K N -0.154 119.936 120.400 -0.515 0.000 2.493 144 K HA 0.119 4.439 4.320 0.000 0.000 0.207 144 K C 1.318 177.486 176.600 -0.720 0.000 1.033 144 K CA -0.145 55.652 56.287 -0.818 0.000 1.161 144 K CB -0.004 31.716 32.500 -1.301 0.000 0.873 144 K HN 0.601 nan 8.250 nan 0.000 0.491 145 H N 0.297 119.146 119.070 -0.368 0.000 2.352 145 H HA -0.087 4.470 4.556 0.000 0.000 0.299 145 H C 1.729 177.014 175.328 -0.072 0.000 1.097 145 H CA 2.108 58.054 56.048 -0.171 0.000 1.311 145 H CB -0.130 29.561 29.762 -0.119 0.000 1.377 145 H HN 0.086 nan 8.280 nan 0.000 0.504 146 T N 0.230 114.786 114.554 0.004 0.000 2.674 146 T HA -0.189 4.161 4.350 0.000 0.000 0.265 146 T C 2.396 177.179 174.700 0.138 0.000 1.039 146 T CA 1.420 63.535 62.100 0.025 0.000 1.150 146 T CB -0.600 68.230 68.868 -0.063 0.000 0.864 146 T HN 0.523 nan 8.240 nan 0.000 0.427 147 A N 0.316 123.165 122.820 0.049 0.000 1.933 147 A HA -0.095 4.226 4.320 0.000 0.000 0.218 147 A C 2.214 180.287 177.584 0.817 0.000 1.175 147 A CA 1.196 53.404 52.037 0.285 0.000 0.628 147 A CB -1.103 17.825 19.000 -0.120 0.000 0.814 147 A HN 0.743 nan 8.150 nan 0.000 0.444 148 W N -0.716 120.725 121.300 0.235 0.000 2.409 148 W HA -0.044 4.617 4.660 0.000 0.000 0.299 148 W C 2.763 179.330 176.519 0.079 0.000 1.203 148 W CA 0.443 57.877 57.345 0.149 0.000 1.298 148 W CB -0.009 29.443 29.460 -0.012 0.000 1.127 148 W HN 0.445 nan 8.180 nan 0.000 0.528 149 A N 0.151 123.158 122.820 0.311 0.000 1.898 149 A HA -0.245 4.075 4.320 0.000 0.000 0.216 149 A C 1.675 179.421 177.584 0.270 0.000 1.181 149 A CA 1.280 53.418 52.037 0.168 0.000 0.620 149 A CB -1.215 17.847 19.000 0.104 0.000 0.819 149 A HN 0.332 nan 8.150 nan 0.000 0.442 150 F N 0.209 120.271 119.950 0.187 0.000 2.216 150 F HA -0.109 4.418 4.527 0.000 0.000 0.300 150 F C 1.710 177.591 175.800 0.135 0.000 1.085 150 F CA 1.104 59.213 58.000 0.182 0.000 1.326 150 F CB -0.594 38.577 39.000 0.285 0.000 1.027 150 F HN 0.183 nan 8.300 nan 0.000 0.497 151 L N -0.463 120.846 121.223 0.145 0.000 2.191 151 L HA -0.137 4.203 4.340 0.000 0.000 0.212 151 L C 2.669 179.503 176.870 -0.060 0.000 1.103 151 L CA 1.800 56.553 54.840 -0.145 0.000 0.769 151 L CB -1.082 40.940 42.059 -0.062 0.000 0.908 151 L HN 0.229 nan 8.230 nan 0.000 0.438 152 S N -1.305 114.417 115.700 0.037 0.000 2.371 152 S HA -0.097 4.373 4.470 0.000 0.000 0.224 152 S C 2.159 176.855 174.600 0.160 0.000 1.029 152 S CA 0.999 59.251 58.200 0.086 0.000 0.978 152 S CB -0.189 63.037 63.200 0.043 0.000 0.833 152 S HN 0.559 nan 8.310 nan 0.000 0.466 153 A N 1.518 124.411 122.820 0.121 0.000 1.873 153 A HA 0.030 4.351 4.320 0.000 0.000 0.215 153 A C 2.079 179.693 177.584 0.049 0.000 1.186 153 A CA 1.459 53.563 52.037 0.113 0.000 0.616 153 A CB -0.870 18.232 19.000 0.169 0.000 0.823 153 A HN 0.596 nan 8.150 nan 0.000 0.442 154 I N -1.206 119.282 120.570 -0.137 0.000 2.248 154 I HA -0.322 3.849 4.170 0.000 0.000 0.248 154 I C 2.479 178.659 176.117 0.105 0.000 1.107 154 I CA 1.625 62.800 61.300 -0.210 0.000 1.373 154 I CB -0.307 37.221 38.000 -0.786 0.000 1.055 154 I HN 0.764 nan 8.210 nan 0.000 0.418 155 W N 1.487 122.740 121.300 -0.078 0.000 2.335 155 W HA -0.303 4.357 4.660 0.000 0.000 0.311 155 W C 2.335 178.873 176.519 0.031 0.000 1.213 155 W CA 1.280 58.613 57.345 -0.020 0.000 1.274 155 W CB -0.264 29.174 29.460 -0.037 0.000 1.148 155 W HN 0.156 nan 8.180 nan 0.000 0.498 156 L N 0.954 122.130 121.223 -0.078 0.000 2.017 156 L HA -0.139 4.201 4.340 0.000 0.000 0.208 156 L C 2.349 179.167 176.870 -0.086 0.000 1.073 156 L CA 2.756 57.478 54.840 -0.197 0.000 0.745 156 L CB -1.679 40.365 42.059 -0.025 0.000 0.894 156 L HN 0.233 nan 8.230 nan 0.000 0.432 157 W N 0.072 121.278 121.300 -0.158 0.000 2.315 157 W HA -0.305 4.356 4.660 0.000 0.000 0.323 157 W C 2.336 178.796 176.519 -0.098 0.000 1.233 157 W CA 2.355 59.618 57.345 -0.137 0.000 1.267 157 W CB -0.391 28.959 29.460 -0.183 0.000 1.160 157 W HN 0.114 nan 8.180 nan 0.000 0.474 158 M N 0.142 119.571 119.600 -0.285 0.000 2.149 158 M HA -0.199 4.281 4.480 0.000 0.000 0.261 158 M C 1.878 178.055 176.300 -0.205 0.000 1.064 158 M CA 1.570 56.644 55.300 -0.377 0.000 1.102 158 M CB -1.601 30.967 32.600 -0.054 0.000 1.369 158 M HN 0.036 nan 8.290 nan 0.000 0.408 159 V N 0.433 120.161 119.914 -0.311 0.000 2.307 159 V HA -0.251 3.869 4.120 0.000 0.000 0.245 159 V C 2.464 178.463 176.094 -0.159 0.000 1.045 159 V CA 1.388 63.488 62.300 -0.333 0.000 1.024 159 V CB -0.562 30.873 31.823 -0.645 0.000 0.651 159 V HN 0.394 nan 8.190 nan 0.000 0.449 160 L N 0.153 121.278 121.223 -0.164 0.000 2.056 160 L HA -0.055 4.286 4.340 0.000 0.000 0.207 160 L C 2.337 179.179 176.870 -0.048 0.000 1.078 160 L CA 1.845 56.628 54.840 -0.095 0.000 0.749 160 L CB -0.720 41.254 42.059 -0.141 0.000 0.901 160 L HN 0.477 nan 8.230 nan 0.000 0.433 161 G N -2.741 106.005 108.800 -0.090 0.000 2.921 161 G HA2 -0.036 3.925 3.960 0.000 0.000 0.213 161 G HA3 -0.036 3.925 3.960 0.000 0.000 0.213 161 G C 0.905 175.972 174.900 0.278 0.000 1.143 161 G CA 0.002 45.132 45.100 0.052 0.000 0.764 161 G HN 0.262 nan 8.290 nan 0.000 0.542 162 F N -0.318 119.651 119.950 0.031 0.000 1.901 162 F HA 0.350 4.877 4.527 0.000 0.000 0.239 162 F C 2.082 177.958 175.800 0.126 0.000 1.133 162 F CA -0.033 58.072 58.000 0.176 0.000 1.271 162 F CB -0.033 39.025 39.000 0.096 0.000 1.652 162 F HN -0.047 nan 8.300 nan 0.000 0.543 163 I N 1.018 121.724 120.570 0.227 0.000 2.142 163 I HA -0.243 3.928 4.170 0.000 0.000 0.240 163 I C 2.567 178.672 176.117 -0.020 0.000 1.078 163 I CA 1.695 63.047 61.300 0.087 0.000 1.343 163 I CB -0.590 37.476 38.000 0.109 0.000 1.046 163 I HN 0.146 nan 8.210 nan 0.000 0.405 164 R N 0.826 121.323 120.500 -0.004 0.000 2.073 164 R HA -0.150 4.191 4.340 0.000 0.000 0.234 164 R C -0.316 175.983 176.300 -0.002 0.000 1.134 164 R CA 1.856 57.965 56.100 0.015 0.000 0.952 164 R CB -1.221 29.125 30.300 0.076 0.000 0.850 164 R HN 0.204 nan 8.270 nan 0.000 0.433 165 P HA -0.190 nan 4.420 nan 0.000 0.215 165 P C 1.231 178.353 177.300 -0.297 0.000 1.163 165 P CA 1.544 64.600 63.100 -0.073 0.000 0.894 165 P CB -0.078 31.673 31.700 0.084 0.000 0.791 166 I N -1.632 118.699 120.570 -0.398 0.000 2.208 166 I HA -0.246 3.924 4.170 0.000 0.000 0.245 166 I C 2.291 178.245 176.117 -0.273 0.000 1.097 166 I CA 1.410 62.429 61.300 -0.468 0.000 1.363 166 I CB -0.588 37.121 38.000 -0.485 0.000 1.051 166 I HN -0.098 nan 8.210 nan 0.000 0.413 167 L N -0.656 120.467 121.223 -0.167 0.000 2.093 167 L HA -0.186 4.154 4.340 0.000 0.000 0.208 167 L C 2.452 179.264 176.870 -0.097 0.000 1.085 167 L CA 0.859 55.638 54.840 -0.102 0.000 0.755 167 L CB -0.379 41.651 42.059 -0.048 0.000 0.904 167 L HN 0.292 nan 8.230 nan 0.000 0.435 168 M N -0.897 118.645 119.600 -0.097 0.000 2.492 168 M HA 0.064 4.544 4.480 0.000 0.000 0.262 168 M C 1.674 177.900 176.300 -0.123 0.000 1.090 168 M CA 1.212 56.464 55.300 -0.080 0.000 1.110 168 M CB -0.840 31.737 32.600 -0.037 0.000 1.407 168 M HN 0.443 nan 8.290 nan 0.000 0.470 169 G N 0.952 109.636 108.800 -0.193 0.000 2.176 169 G HA2 -0.193 3.767 3.960 0.000 0.000 0.232 169 G HA3 -0.193 3.767 3.960 0.000 0.000 0.232 169 G C 0.153 174.884 174.900 -0.282 0.000 0.986 169 G CA 0.405 45.372 45.100 -0.222 0.000 0.643 169 G HN 0.665 nan 8.290 nan 0.000 0.522 170 S N -1.989 113.524 115.700 -0.313 0.000 2.537 170 S HA 0.527 4.997 4.470 0.000 0.000 0.271 170 S C 0.262 174.682 174.600 -0.302 0.000 1.148 170 S CA -0.216 57.789 58.200 -0.325 0.000 0.868 170 S CB 0.629 63.739 63.200 -0.148 0.000 1.115 170 S HN 0.417 nan 8.310 nan 0.000 0.461 171 W N 1.514 122.727 121.300 -0.145 0.000 2.611 171 W HA -0.013 4.648 4.660 0.000 0.000 0.251 171 W C 2.461 178.792 176.519 -0.313 0.000 1.265 171 W CA 0.546 57.762 57.345 -0.215 0.000 1.295 171 W CB -0.084 29.233 29.460 -0.239 0.000 1.129 171 W HN 0.918 nan 8.180 nan 0.000 0.630 172 S N -0.212 115.477 115.700 -0.019 0.000 2.474 172 S HA -0.143 4.328 4.470 0.000 0.000 0.235 172 S C 1.417 176.028 174.600 0.017 0.000 0.997 172 S CA 0.949 59.116 58.200 -0.056 0.000 0.949 172 S CB -0.214 62.976 63.200 -0.016 0.000 0.766 172 S HN 0.251 nan 8.310 nan 0.000 0.517 173 E N 1.649 121.892 120.200 0.072 0.000 2.371 173 E HA 0.293 4.643 4.350 0.000 0.000 0.194 173 E C 1.172 177.987 176.600 0.358 0.000 1.012 173 E CA 0.511 57.045 56.400 0.223 0.000 0.860 173 E CB -0.290 29.515 29.700 0.175 0.000 0.811 173 E HN 0.706 nan 8.360 nan 0.000 0.502 174 A N 1.121 124.022 122.820 0.135 0.000 2.346 174 A HA 0.248 4.569 4.320 0.000 0.000 0.255 174 A C 0.411 177.854 177.584 -0.236 0.000 1.113 174 A CA -0.361 51.707 52.037 0.051 0.000 0.798 174 A CB 0.484 19.580 19.000 0.159 0.000 1.073 174 A HN -0.035 nan 8.150 nan 0.000 0.502 175 V N 2.466 122.099 119.914 -0.467 0.000 2.498 175 V HA 0.319 4.440 4.120 0.000 0.000 0.279 175 V C -1.901 173.966 176.094 -0.378 0.000 1.048 175 V CA -1.175 60.590 62.300 -0.893 0.000 0.967 175 V CB 0.956 32.258 31.823 -0.869 0.000 0.988 175 V HN 0.834 nan 8.190 nan 0.000 0.473 176 P HA 0.165 nan 4.420 nan 0.000 0.274 176 P C -1.188 176.106 177.300 -0.010 0.000 1.231 176 P CA -0.259 62.805 63.100 -0.060 0.000 0.790 176 P CB 0.417 32.169 31.700 0.088 0.000 0.951 177 Y N 0.940 121.461 120.300 0.369 0.000 2.600 177 Y HA 0.547 5.098 4.550 0.000 0.000 0.351 177 Y C 1.375 177.484 175.900 0.349 0.000 1.042 177 Y CA -0.000 58.261 58.100 0.270 0.000 1.333 177 Y CB 0.399 38.951 38.460 0.153 0.000 1.172 177 Y HN 0.517 nan 8.280 nan 0.000 0.517 178 G N 1.882 110.936 108.800 0.422 0.000 2.655 178 G HA2 0.285 4.245 3.960 0.000 0.000 0.296 178 G HA3 0.285 4.245 3.960 0.000 0.000 0.296 178 G C -0.115 174.950 174.900 0.275 0.000 1.485 178 G CA -0.748 44.607 45.100 0.426 0.000 0.869 178 G HN 0.268 nan 8.290 nan 0.000 0.540 179 I N 0.905 121.569 120.570 0.156 0.000 2.072 179 I HA -0.034 4.136 4.170 0.000 0.000 0.235 179 I C 2.603 178.854 176.117 0.224 0.000 1.058 179 I CA 1.400 62.719 61.300 0.031 0.000 1.320 179 I CB -1.043 36.708 38.000 -0.414 0.000 1.047 179 I HN 0.463 nan 8.210 nan 0.000 0.397 180 F N 1.779 121.716 119.950 -0.021 0.000 2.216 180 F HA -0.148 4.379 4.527 0.000 0.000 0.300 180 F C 2.989 178.817 175.800 0.045 0.000 1.085 180 F CA 1.238 59.200 58.000 -0.064 0.000 1.326 180 F CB -1.659 37.193 39.000 -0.247 0.000 1.027 180 F HN 0.219 nan 8.300 nan 0.000 0.497 181 S N -0.356 115.524 115.700 0.301 0.000 2.406 181 S HA -0.210 4.260 4.470 0.000 0.000 0.228 181 S C 2.134 176.927 174.600 0.321 0.000 1.020 181 S CA 1.184 59.550 58.200 0.277 0.000 0.965 181 S CB -1.142 62.218 63.200 0.266 0.000 0.798 181 S HN 0.628 nan 8.310 nan 0.000 0.488 182 H N 2.791 121.987 119.070 0.210 0.000 2.389 182 H HA 0.047 4.603 4.556 0.000 0.000 0.299 182 H C 1.933 177.419 175.328 0.263 0.000 1.081 182 H CA 1.547 57.718 56.048 0.205 0.000 1.345 182 H CB -0.774 29.069 29.762 0.134 0.000 1.393 182 H HN 0.462 nan 8.280 nan 0.000 0.520 183 L N 0.833 121.995 121.223 -0.101 0.000 2.042 183 L HA -0.173 4.168 4.340 0.000 0.000 0.210 183 L C 2.422 179.319 176.870 0.044 0.000 1.076 183 L CA 1.569 56.353 54.840 -0.094 0.000 0.749 183 L CB -0.476 41.547 42.059 -0.061 0.000 0.893 183 L HN 0.184 nan 8.230 nan 0.000 0.432 184 D N -0.691 119.773 120.400 0.107 0.000 2.117 184 D HA -0.223 4.417 4.640 0.000 0.000 0.197 184 D C 1.772 178.161 176.300 0.148 0.000 0.987 184 D CA 1.113 55.173 54.000 0.100 0.000 0.829 184 D CB -0.308 40.558 40.800 0.109 0.000 0.961 184 D HN 0.428 nan 8.370 nan 0.000 0.460 185 W N 1.912 123.248 121.300 0.059 0.000 2.318 185 W HA -0.258 4.402 4.660 0.000 0.000 0.313 185 W C 2.258 178.838 176.519 0.102 0.000 1.221 185 W CA 2.420 59.820 57.345 0.091 0.000 1.266 185 W CB -0.441 29.085 29.460 0.111 0.000 1.150 185 W HN -0.140 nan 8.180 nan 0.000 0.496 186 T N 0.325 115.089 114.554 0.350 0.000 2.674 186 T HA -0.317 4.034 4.350 0.000 0.000 0.265 186 T C 1.733 176.429 174.700 -0.007 0.000 1.039 186 T CA 1.667 63.868 62.100 0.169 0.000 1.150 186 T CB -0.871 68.086 68.868 0.147 0.000 0.864 186 T HN 0.402 nan 8.240 nan 0.000 0.427 187 N N 1.256 119.950 118.700 -0.010 0.000 2.104 187 N HA -0.200 4.540 4.740 0.000 0.000 0.190 187 N C 1.904 177.368 175.510 -0.077 0.000 1.024 187 N CA 1.786 54.806 53.050 -0.051 0.000 0.853 187 N CB -0.252 38.209 38.487 -0.045 0.000 1.008 187 N HN 0.423 nan 8.380 nan 0.000 0.424 188 N N -0.168 118.474 118.700 -0.098 0.000 2.142 188 N HA -0.160 4.581 4.740 0.000 0.000 0.186 188 N C 1.800 177.188 175.510 -0.203 0.000 1.023 188 N CA 0.852 53.815 53.050 -0.145 0.000 0.852 188 N CB -0.503 37.901 38.487 -0.138 0.000 0.998 188 N HN 0.198 nan 8.380 nan 0.000 0.424 189 F N 0.974 120.645 119.950 -0.465 0.000 2.063 189 F HA -0.265 4.262 4.527 0.000 0.000 0.298 189 F C 2.786 178.530 175.800 -0.093 0.000 1.109 189 F CA 1.998 59.760 58.000 -0.397 0.000 1.212 189 F CB -1.007 37.558 39.000 -0.726 0.000 0.973 189 F HN 0.152 nan 8.300 nan 0.000 0.480 190 S N -0.070 115.704 115.700 0.123 0.000 2.353 190 S HA -0.181 4.289 4.470 0.000 0.000 0.222 190 S C 2.048 176.632 174.600 -0.027 0.000 1.035 190 S CA 1.457 59.684 58.200 0.046 0.000 1.025 190 S CB -0.629 62.511 63.200 -0.100 0.000 0.902 190 S HN 0.268 nan 8.310 nan 0.000 0.440 191 L N 1.586 122.756 121.223 -0.087 0.000 2.012 191 L HA -0.027 4.313 4.340 0.000 0.000 0.210 191 L C 2.550 179.336 176.870 -0.141 0.000 1.073 191 L CA 1.479 56.260 54.840 -0.100 0.000 0.748 191 L CB -1.340 40.655 42.059 -0.107 0.000 0.891 191 L HN 0.238 nan 8.230 nan 0.000 0.431 192 V N -0.976 118.786 119.914 -0.253 0.000 2.809 192 V HA -0.198 3.922 4.120 0.000 0.000 0.256 192 V C 1.638 177.413 176.094 -0.533 0.000 1.080 192 V CA 1.066 63.121 62.300 -0.409 0.000 1.102 192 V CB -0.720 30.780 31.823 -0.538 0.000 0.705 192 V HN 0.514 nan 8.190 nan 0.000 0.475 193 H N -0.414 118.540 119.070 -0.194 0.000 2.507 193 H HA 0.328 4.884 4.556 0.000 0.000 0.294 193 H C 1.729 177.105 175.328 0.081 0.000 1.064 193 H CA 0.674 56.661 56.048 -0.102 0.000 1.138 193 H CB 0.261 29.967 29.762 -0.095 0.000 1.515 193 H HN 0.436 nan 8.280 nan 0.000 0.547 194 G N 2.170 111.038 108.800 0.112 0.000 2.160 194 G HA2 -0.332 3.628 3.960 0.000 0.000 0.251 194 G HA3 -0.332 3.628 3.960 0.000 0.000 0.251 194 G C -0.126 174.963 174.900 0.315 0.000 1.008 194 G CA 0.360 45.569 45.100 0.181 0.000 0.724 194 G HN 0.592 nan 8.290 nan 0.000 0.514 195 N N -1.734 117.098 118.700 0.219 0.000 2.923 195 N HA -0.134 4.606 4.740 0.000 0.000 0.266 195 N C 0.932 176.522 175.510 0.132 0.000 1.595 195 N CA 0.743 53.877 53.050 0.139 0.000 1.455 195 N CB -1.217 37.410 38.487 0.233 0.000 0.816 195 N HN 0.427 nan 8.380 nan 0.000 0.485 196 L N 2.346 123.495 121.223 -0.123 0.000 2.349 196 L HA -0.132 4.208 4.340 0.000 0.000 0.220 196 L C 1.543 178.280 176.870 -0.223 0.000 1.130 196 L CA 0.882 55.549 54.840 -0.288 0.000 0.791 196 L CB -0.402 41.286 42.059 -0.618 0.000 0.918 196 L HN 0.450 nan 8.230 nan 0.000 0.444 197 F N -1.078 118.730 119.950 -0.237 0.000 2.494 197 F HA -0.184 4.344 4.527 0.000 0.000 0.298 197 F C 1.689 177.339 175.800 -0.250 0.000 1.106 197 F CA 0.658 58.522 58.000 -0.226 0.000 1.452 197 F CB -0.800 38.000 39.000 -0.333 0.000 1.085 197 F HN 0.113 nan 8.300 nan 0.000 0.569 198 Y N -1.328 119.133 120.300 0.269 0.000 2.458 198 Y HA 0.135 4.686 4.550 0.000 0.000 0.256 198 Y C 0.831 176.829 175.900 0.164 0.000 1.159 198 Y CA -0.645 57.630 58.100 0.292 0.000 1.261 198 Y CB -0.603 38.112 38.460 0.425 0.000 1.119 198 Y HN -0.055 nan 8.280 nan 0.000 0.524 199 N N 3.026 121.656 118.700 -0.118 0.000 2.406 199 N HA 0.056 4.796 4.740 0.000 0.000 0.251 199 N C -1.820 173.483 175.510 -0.345 0.000 1.069 199 N CA -1.581 50.976 53.050 -0.822 0.000 0.947 199 N CB 1.079 38.708 38.487 -1.431 0.000 1.111 199 N HN -0.086 nan 8.380 nan 0.000 0.497 200 P HA -0.156 nan 4.420 nan 0.000 0.218 200 P C 0.697 177.839 177.300 -0.262 0.000 1.148 200 P CA 1.208 64.207 63.100 -0.169 0.000 0.822 200 P CB 0.026 31.646 31.700 -0.133 0.000 0.784 201 F N -0.802 119.041 119.950 -0.179 0.000 2.234 201 F HA -0.116 4.411 4.527 0.000 0.000 0.299 201 F C 2.876 178.649 175.800 -0.045 0.000 1.087 201 F CA 1.132 59.085 58.000 -0.078 0.000 1.340 201 F CB -1.280 37.672 39.000 -0.080 0.000 1.031 201 F HN 0.093 nan 8.300 nan 0.000 0.500 202 H N -0.007 119.042 119.070 -0.034 0.000 2.357 202 H HA -0.086 4.471 4.556 0.000 0.000 0.301 202 H C 2.378 177.696 175.328 -0.017 0.000 1.082 202 H CA 1.512 57.544 56.048 -0.027 0.000 1.342 202 H CB -0.416 29.303 29.762 -0.072 0.000 1.389 202 H HN 0.331 nan 8.280 nan 0.000 0.511 203 G N 0.890 109.686 108.800 -0.006 0.000 2.408 203 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 203 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 203 G C 2.030 176.835 174.900 -0.158 0.000 1.150 203 G CA 0.551 45.597 45.100 -0.091 0.000 0.776 203 G HN 0.330 nan 8.290 nan 0.000 0.542 204 L N 0.374 121.539 121.223 -0.096 0.000 2.027 204 L HA -0.061 4.280 4.340 0.000 0.000 0.206 204 L C 3.100 179.992 176.870 0.036 0.000 1.074 204 L CA 1.204 56.003 54.840 -0.069 0.000 0.745 204 L CB -0.486 41.637 42.059 0.107 0.000 0.898 204 L HN 0.289 nan 8.230 nan 0.000 0.433 205 S N 0.124 115.886 115.700 0.103 0.000 2.374 205 S HA -0.215 4.255 4.470 0.000 0.000 0.227 205 S C 1.953 176.516 174.600 -0.062 0.000 1.037 205 S CA 1.524 59.790 58.200 0.110 0.000 1.024 205 S CB -0.278 62.937 63.200 0.025 0.000 0.861 205 S HN 0.271 nan 8.310 nan 0.000 0.456 206 I N 1.271 121.668 120.570 -0.288 0.000 2.179 206 I HA -0.178 3.992 4.170 0.000 0.000 0.242 206 I C 2.720 178.510 176.117 -0.545 0.000 1.088 206 I CA 1.072 62.068 61.300 -0.508 0.000 1.357 206 I CB -0.550 37.066 38.000 -0.640 0.000 1.051 206 I HN 0.347 nan 8.210 nan 0.000 0.409 207 A N 0.945 123.505 122.820 -0.434 0.000 1.892 207 A HA -0.243 4.077 4.320 0.000 0.000 0.218 207 A C 2.052 179.446 177.584 -0.317 0.000 1.188 207 A CA 1.890 53.682 52.037 -0.408 0.000 0.631 207 A CB -1.053 17.628 19.000 -0.532 0.000 0.822 207 A HN 0.368 nan 8.150 nan 0.000 0.447 208 F N -1.029 118.914 119.950 -0.013 0.000 2.206 208 F HA -0.022 4.505 4.527 0.000 0.000 0.298 208 F C 1.989 177.831 175.800 0.071 0.000 1.090 208 F CA 0.974 59.008 58.000 0.056 0.000 1.323 208 F CB -0.725 38.323 39.000 0.080 0.000 1.028 208 F HN 0.231 nan 8.300 nan 0.000 0.492 209 L N -0.850 120.475 121.223 0.170 0.000 1.994 209 L HA -0.226 4.114 4.340 0.000 0.000 0.208 209 L C 2.323 179.344 176.870 0.251 0.000 1.071 209 L CA 1.848 56.785 54.840 0.163 0.000 0.745 209 L CB -1.043 41.060 42.059 0.074 0.000 0.892 209 L HN 0.031 nan 8.230 nan 0.000 0.431 210 Y N 0.324 120.662 120.300 0.063 0.000 2.128 210 Y HA -0.130 4.420 4.550 0.000 0.000 0.284 210 Y C 2.610 178.546 175.900 0.060 0.000 1.154 210 Y CA 0.868 58.995 58.100 0.044 0.000 1.149 210 Y CB -1.721 36.741 38.460 0.005 0.000 0.976 210 Y HN 0.277 nan 8.280 nan 0.000 0.505 211 G N -0.766 108.174 108.800 0.233 0.000 2.505 211 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 211 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 211 G C 1.947 176.959 174.900 0.186 0.000 1.145 211 G CA 1.504 46.710 45.100 0.177 0.000 0.761 211 G HN 0.429 nan 8.290 nan 0.000 0.571 212 S N 0.890 116.722 115.700 0.220 0.000 2.399 212 S HA 0.039 4.509 4.470 0.000 0.000 0.231 212 S C 2.716 177.445 174.600 0.216 0.000 1.022 212 S CA 1.173 59.497 58.200 0.208 0.000 0.983 212 S CB -0.265 63.065 63.200 0.215 0.000 0.803 212 S HN 0.626 nan 8.310 nan 0.000 0.480 213 A N 1.508 124.447 122.820 0.198 0.000 1.874 213 A HA 0.072 4.392 4.320 0.000 0.000 0.214 213 A C 2.077 179.746 177.584 0.141 0.000 1.189 213 A CA 1.046 53.186 52.037 0.171 0.000 0.615 213 A CB -0.734 18.345 19.000 0.131 0.000 0.830 213 A HN 0.401 nan 8.150 nan 0.000 0.443 214 L N -0.558 120.732 121.223 0.111 0.000 2.013 214 L HA -0.179 4.161 4.340 0.000 0.000 0.212 214 L C 2.213 179.116 176.870 0.055 0.000 1.073 214 L CA 2.286 57.167 54.840 0.069 0.000 0.753 214 L CB -0.730 41.357 42.059 0.047 0.000 0.890 214 L HN 0.324 nan 8.230 nan 0.000 0.432 215 L N -1.681 119.577 121.223 0.059 0.000 2.044 215 L HA -0.132 4.208 4.340 0.000 0.000 0.205 215 L C 2.278 179.214 176.870 0.109 0.000 1.075 215 L CA 1.651 56.492 54.840 0.002 0.000 0.747 215 L CB -0.982 41.066 42.059 -0.019 0.000 0.903 215 L HN 0.271 nan 8.230 nan 0.000 0.435 216 F N 0.161 120.145 119.950 0.056 0.000 2.216 216 F HA -0.099 4.428 4.527 0.000 0.000 0.300 216 F C 2.365 178.198 175.800 0.055 0.000 1.085 216 F CA 0.674 58.724 58.000 0.082 0.000 1.326 216 F CB -1.010 38.043 39.000 0.088 0.000 1.027 216 F HN 0.198 nan 8.300 nan 0.000 0.497 217 A N -0.024 122.946 122.820 0.249 0.000 1.858 217 A HA -0.234 4.086 4.320 0.000 0.000 0.216 217 A C 2.340 180.010 177.584 0.142 0.000 1.190 217 A CA 1.906 54.025 52.037 0.137 0.000 0.617 217 A CB -0.770 18.286 19.000 0.094 0.000 0.827 217 A HN 0.353 nan 8.150 nan 0.000 0.443 218 M N -1.791 117.888 119.600 0.132 0.000 2.082 218 M HA -0.233 4.247 4.480 0.000 0.000 0.258 218 M C 2.339 178.741 176.300 0.171 0.000 1.071 218 M CA 2.328 57.709 55.300 0.136 0.000 1.103 218 M CB -0.662 31.841 32.600 -0.161 0.000 1.307 218 M HN 0.712 nan 8.290 nan 0.000 0.409 219 H N -0.122 118.965 119.070 0.028 0.000 2.290 219 H HA -0.078 4.478 4.556 0.000 0.000 0.298 219 H C 1.962 177.366 175.328 0.127 0.000 1.087 219 H CA 2.253 58.315 56.048 0.024 0.000 1.291 219 H CB -0.841 28.866 29.762 -0.093 0.000 1.369 219 H HN 0.344 nan 8.280 nan 0.000 0.492 220 G N 0.029 108.907 108.800 0.129 0.000 2.446 220 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 220 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 220 G C 1.967 176.827 174.900 -0.068 0.000 1.168 220 G CA 1.502 46.602 45.100 -0.000 0.000 0.771 220 G HN 0.658 nan 8.290 nan 0.000 0.551 221 A N 0.054 122.865 122.820 -0.015 0.000 1.908 221 A HA -0.043 4.277 4.320 0.000 0.000 0.218 221 A C 2.536 180.068 177.584 -0.087 0.000 1.181 221 A CA 2.555 54.560 52.037 -0.053 0.000 0.627 221 A CB -1.015 17.973 19.000 -0.019 0.000 0.818 221 A HN 0.323 nan 8.150 nan 0.000 0.445 222 T N 0.490 115.029 114.554 -0.026 0.000 2.674 222 T HA -0.119 4.231 4.350 0.000 0.000 0.265 222 T C 1.828 176.495 174.700 -0.056 0.000 1.039 222 T CA 1.506 63.591 62.100 -0.024 0.000 1.150 222 T CB -0.308 68.681 68.868 0.201 0.000 0.864 222 T HN 0.301 nan 8.240 nan 0.000 0.427 223 I N 1.256 121.769 120.570 -0.095 0.000 2.163 223 I HA -0.113 4.057 4.170 0.000 0.000 0.243 223 I C 2.427 178.490 176.117 -0.090 0.000 1.085 223 I CA 1.341 62.584 61.300 -0.095 0.000 1.347 223 I CB -1.391 36.498 38.000 -0.185 0.000 1.044 223 I HN 0.278 nan 8.210 nan 0.000 0.408 224 L N 0.631 121.780 121.223 -0.123 0.000 2.012 224 L HA -0.213 4.127 4.340 0.000 0.000 0.210 224 L C 2.772 179.561 176.870 -0.136 0.000 1.073 224 L CA 1.544 56.300 54.840 -0.140 0.000 0.748 224 L CB -0.809 41.152 42.059 -0.164 0.000 0.891 224 L HN 0.207 nan 8.230 nan 0.000 0.431 225 A N -0.084 122.658 122.820 -0.131 0.000 2.019 225 A HA -0.128 4.192 4.320 0.000 0.000 0.219 225 A C 1.924 179.469 177.584 -0.065 0.000 1.164 225 A CA 1.805 53.765 52.037 -0.128 0.000 0.644 225 A CB -0.624 18.265 19.000 -0.185 0.000 0.805 225 A HN 0.388 nan 8.150 nan 0.000 0.449 226 V N -1.903 118.005 119.914 -0.010 0.000 3.271 226 V HA 0.158 4.278 4.120 0.000 0.000 0.327 226 V C 1.512 177.632 176.094 0.044 0.000 1.389 226 V CA 0.892 63.271 62.300 0.131 0.000 1.156 226 V CB -0.679 31.279 31.823 0.226 0.000 1.103 226 V HN 0.557 nan 8.190 nan 0.000 0.453 227 S N 2.074 117.733 115.700 -0.069 0.000 2.481 227 S HA -0.178 4.292 4.470 0.000 0.000 0.231 227 S C 1.928 176.443 174.600 -0.143 0.000 0.996 227 S CA 1.011 59.164 58.200 -0.077 0.000 0.942 227 S CB -0.667 62.479 63.200 -0.089 0.000 0.768 227 S HN 0.873 nan 8.310 nan 0.000 0.520 228 R N 0.310 120.621 120.500 -0.314 0.000 2.328 228 R HA 0.089 4.429 4.340 0.000 0.000 0.207 228 R C 0.156 176.076 176.300 -0.633 0.000 1.056 228 R CA 0.877 56.681 56.100 -0.494 0.000 1.016 228 R CB -0.664 29.238 30.300 -0.664 0.000 0.872 228 R HN 0.573 nan 8.270 nan 0.000 0.471 229 F N -0.045 119.902 119.950 -0.004 0.000 2.764 229 F HA 0.464 4.991 4.527 0.000 0.000 0.310 229 F C 1.033 176.833 175.800 0.000 0.000 1.124 229 F CA -0.266 57.734 58.000 -0.001 0.000 1.252 229 F CB 1.401 40.399 39.000 -0.004 0.000 1.010 229 F HN 0.154 nan 8.300 nan 0.000 0.518 230 G N 0.661 109.514 108.800 0.088 0.000 2.147 230 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 230 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 230 G C 1.412 176.355 174.900 0.072 0.000 1.005 230 G CA 0.191 45.330 45.100 0.065 0.000 0.713 230 G HN 0.688 nan 8.290 nan 0.000 0.515 231 G N 1.090 109.943 108.800 0.089 0.000 2.507 231 G HA2 -0.184 3.776 3.960 0.000 0.000 0.221 231 G HA3 -0.184 3.776 3.960 0.000 0.000 0.221 231 G C 1.485 176.422 174.900 0.061 0.000 1.119 231 G CA 1.675 46.825 45.100 0.085 0.000 0.751 231 G HN 0.921 nan 8.290 nan 0.000 0.574 232 E N 0.880 121.098 120.200 0.031 0.000 2.427 232 E HA -0.049 4.301 4.350 0.000 0.000 0.196 232 E C 1.082 177.699 176.600 0.029 0.000 1.028 232 E CA -0.057 56.356 56.400 0.022 0.000 0.864 232 E CB -0.220 29.473 29.700 -0.012 0.000 0.813 232 E HN 0.310 nan 8.360 nan 0.000 0.514 233 R N 1.802 122.319 120.500 0.029 0.000 4.154 233 R HA 0.097 4.437 4.340 0.000 0.000 0.186 233 R C 0.888 177.206 176.300 0.030 0.000 1.750 233 R CA 0.026 56.139 56.100 0.021 0.000 1.431 233 R CB -0.028 30.284 30.300 0.020 0.000 1.383 233 R HN 0.281 nan 8.270 nan 0.000 0.788 234 E N 0.724 120.944 120.200 0.032 0.000 2.106 234 E HA -0.193 4.158 4.350 0.000 0.000 0.192 234 E C 1.359 177.968 176.600 0.015 0.000 0.984 234 E CA 0.998 57.431 56.400 0.056 0.000 0.806 234 E CB 0.075 29.823 29.700 0.080 0.000 0.750 234 E HN 0.492 nan 8.360 nan 0.000 0.458 235 L N 0.633 121.843 121.223 -0.021 0.000 2.093 235 L HA -0.155 4.185 4.340 0.000 0.000 0.208 235 L C 2.465 179.328 176.870 -0.012 0.000 1.085 235 L CA 0.964 55.784 54.840 -0.033 0.000 0.755 235 L CB -0.113 41.914 42.059 -0.052 0.000 0.904 235 L HN 0.064 nan 8.230 nan 0.000 0.435 236 E N -0.409 119.790 120.200 -0.002 0.000 2.358 236 E HA -0.159 4.191 4.350 0.000 0.000 0.195 236 E C 2.142 178.752 176.600 0.016 0.000 1.010 236 E CA 0.715 57.118 56.400 0.005 0.000 0.856 236 E CB 0.170 29.874 29.700 0.006 0.000 0.795 236 E HN 0.325 nan 8.360 nan 0.000 0.504 237 Q N -0.452 119.364 119.800 0.026 0.000 2.269 237 Q HA 0.027 4.368 4.340 0.000 0.000 0.201 237 Q C 2.140 178.162 176.000 0.035 0.000 0.946 237 Q CA 0.593 56.417 55.803 0.037 0.000 0.877 237 Q CB 0.211 28.982 28.738 0.056 0.000 0.963 237 Q HN 0.425 nan 8.270 nan 0.000 0.472 238 I N 0.524 121.112 120.570 0.031 0.000 2.252 238 I HA -0.213 3.958 4.170 0.000 0.000 0.245 238 I C 2.182 178.309 176.117 0.016 0.000 1.102 238 I CA 1.104 62.420 61.300 0.027 0.000 1.385 238 I CB -0.195 37.814 38.000 0.015 0.000 1.064 238 I HN 0.035 nan 8.210 nan 0.000 0.414 239 A N -0.974 121.851 122.820 0.008 0.000 2.119 239 A HA -0.103 4.217 4.320 0.000 0.000 0.216 239 A C 0.625 178.214 177.584 0.008 0.000 1.152 239 A CA 1.147 53.187 52.037 0.004 0.000 0.708 239 A CB -0.008 18.990 19.000 -0.002 0.000 0.805 239 A HN 0.416 nan 8.150 nan 0.000 0.460 240 D N -1.171 119.236 120.400 0.012 0.000 2.881 240 D HA 0.066 4.706 4.640 0.000 0.000 0.238 240 D C -0.472 175.837 176.300 0.014 0.000 1.368 240 D CA -0.401 53.606 54.000 0.011 0.000 0.871 240 D CB -0.155 40.651 40.800 0.009 0.000 1.516 240 D HN 0.233 nan 8.370 nan 0.000 0.544 241 R N 1.120 121.629 120.500 0.015 0.000 2.485 241 R HA 0.331 4.672 4.340 0.000 0.000 0.304 241 R C 0.375 176.678 176.300 0.006 0.000 0.934 241 R CA 0.782 56.891 56.100 0.015 0.000 1.102 241 R CB 0.215 30.523 30.300 0.013 0.000 0.906 241 R HN 0.366 nan 8.270 nan 0.000 0.407 242 G N 0.851 109.655 108.800 0.006 0.000 2.820 242 G HA2 0.077 4.037 3.960 0.000 0.000 0.291 242 G HA3 0.077 4.037 3.960 0.000 0.000 0.291 242 G C 0.496 175.369 174.900 -0.044 0.000 1.323 242 G CA -0.310 44.787 45.100 -0.006 0.000 1.055 242 G HN 0.579 nan 8.290 nan 0.000 0.520 243 T N -0.516 113.984 114.554 -0.090 0.000 2.929 243 T HA -0.041 4.309 4.350 0.000 0.000 0.271 243 T C 2.515 177.047 174.700 -0.279 0.000 1.085 243 T CA 2.245 64.216 62.100 -0.214 0.000 1.125 243 T CB -0.521 68.153 68.868 -0.323 0.000 0.874 243 T HN 0.650 nan 8.240 nan 0.000 0.494 244 A N 1.138 123.887 122.820 -0.118 0.000 1.865 244 A HA 0.148 4.468 4.320 0.000 0.000 0.217 244 A C 2.731 180.319 177.584 0.007 0.000 1.191 244 A CA 2.068 54.122 52.037 0.028 0.000 0.623 244 A CB -1.393 17.700 19.000 0.155 0.000 0.826 244 A HN 0.656 nan 8.150 nan 0.000 0.444 245 A N -0.648 122.178 122.820 0.010 0.000 2.015 245 A HA -0.103 4.217 4.320 0.000 0.000 0.219 245 A C 1.910 179.488 177.584 -0.010 0.000 1.163 245 A CA 1.527 53.579 52.037 0.025 0.000 0.646 245 A CB -0.414 18.608 19.000 0.036 0.000 0.806 245 A HN 0.667 nan 8.150 nan 0.000 0.448 246 E N -0.430 119.735 120.200 -0.059 0.000 2.076 246 E HA -0.110 4.241 4.350 0.000 0.000 0.190 246 E C 2.295 178.808 176.600 -0.145 0.000 0.979 246 E CA 0.750 57.096 56.400 -0.089 0.000 0.807 246 E CB -0.123 29.518 29.700 -0.098 0.000 0.761 246 E HN 0.563 nan 8.360 nan 0.000 0.454 247 R N 0.922 121.315 120.500 -0.178 0.000 2.075 247 R HA -0.033 4.308 4.340 0.000 0.000 0.232 247 R C 2.445 178.668 176.300 -0.127 0.000 1.126 247 R CA 0.951 56.928 56.100 -0.206 0.000 0.963 247 R CB -0.384 29.782 30.300 -0.224 0.000 0.858 247 R HN 0.066 nan 8.270 nan 0.000 0.435 248 A N 1.968 124.766 122.820 -0.037 0.000 1.869 248 A HA -0.244 4.076 4.320 0.000 0.000 0.218 248 A C 2.484 180.137 177.584 0.116 0.000 1.203 248 A CA 2.154 54.225 52.037 0.056 0.000 0.638 248 A CB -1.045 18.017 19.000 0.103 0.000 0.831 248 A HN 0.412 nan 8.150 nan 0.000 0.450 249 A N -0.779 122.076 122.820 0.057 0.000 1.908 249 A HA -0.086 4.234 4.320 0.000 0.000 0.218 249 A C 2.202 179.749 177.584 -0.061 0.000 1.181 249 A CA 1.702 53.769 52.037 0.051 0.000 0.627 249 A CB -0.605 18.403 19.000 0.014 0.000 0.818 249 A HN 0.507 nan 8.150 nan 0.000 0.445 250 L N -2.264 118.807 121.223 -0.253 0.000 2.240 250 L HA -0.064 4.276 4.340 0.000 0.000 0.211 250 L C 2.394 178.777 176.870 -0.812 0.000 1.106 250 L CA 0.959 55.414 54.840 -0.642 0.000 0.793 250 L CB -0.443 41.082 42.059 -0.890 0.000 0.927 250 L HN 0.526 nan 8.230 nan 0.000 0.446 251 F N 0.176 119.759 119.950 -0.610 0.000 2.091 251 F HA -0.271 4.256 4.527 0.000 0.000 0.299 251 F C 1.954 177.441 175.800 -0.521 0.000 1.103 251 F CA 1.798 59.446 58.000 -0.586 0.000 1.228 251 F CB -0.363 38.239 39.000 -0.663 0.000 0.984 251 F HN -0.015 nan 8.300 nan 0.000 0.477 252 W N 0.240 121.504 121.300 -0.060 0.000 2.453 252 W HA 0.026 4.687 4.660 0.000 0.000 0.289 252 W C 2.761 179.157 176.519 -0.205 0.000 1.215 252 W CA 0.969 58.235 57.345 -0.131 0.000 1.297 252 W CB -0.471 28.922 29.460 -0.111 0.000 1.113 252 W HN -0.122 nan 8.180 nan 0.000 0.551 253 R N -0.133 120.371 120.500 0.006 0.000 2.073 253 R HA -0.193 4.147 4.340 0.000 0.000 0.234 253 R C 1.936 178.339 176.300 0.171 0.000 1.134 253 R CA 2.176 58.316 56.100 0.067 0.000 0.952 253 R CB -0.695 29.635 30.300 0.049 0.000 0.850 253 R HN 0.107 nan 8.270 nan 0.000 0.433 254 W N 0.257 121.480 121.300 -0.129 0.000 2.402 254 W HA -0.018 4.642 4.660 0.000 0.000 0.286 254 W C 2.122 178.512 176.519 -0.215 0.000 1.221 254 W CA 1.000 58.243 57.345 -0.169 0.000 1.257 254 W CB -1.116 28.218 29.460 -0.211 0.000 1.120 254 W HN 0.149 nan 8.180 nan 0.000 0.551 255 T N 0.771 115.253 114.554 -0.120 0.000 2.735 255 T HA -0.102 4.248 4.350 0.000 0.000 0.256 255 T C 1.663 176.372 174.700 0.015 0.000 1.042 255 T CA 1.910 63.904 62.100 -0.176 0.000 1.147 255 T CB -0.270 68.324 68.868 -0.456 0.000 0.865 255 T HN 0.178 nan 8.240 nan 0.000 0.421 256 M N -0.703 118.953 119.600 0.093 0.000 2.347 256 M HA 0.617 5.098 4.480 0.000 0.000 0.324 256 M C 1.239 177.695 176.300 0.260 0.000 1.028 256 M CA 0.074 55.475 55.300 0.167 0.000 0.988 256 M CB 0.903 33.611 32.600 0.180 0.000 1.528 256 M HN 0.257 nan 8.290 nan 0.000 0.550 257 G N 2.060 110.990 108.800 0.217 0.000 2.159 257 G HA2 -0.275 3.685 3.960 0.000 0.000 0.256 257 G HA3 -0.275 3.685 3.960 0.000 0.000 0.256 257 G C -0.235 174.895 174.900 0.384 0.000 0.977 257 G CA 0.611 45.867 45.100 0.260 0.000 0.652 257 G HN 0.848 nan 8.290 nan 0.000 0.531 258 F N -0.827 119.178 119.950 0.091 0.000 2.741 258 F HA 0.759 5.287 4.527 0.000 0.000 0.313 258 F C -0.808 175.046 175.800 0.090 0.000 1.153 258 F CA -1.341 56.708 58.000 0.082 0.000 0.931 258 F CB 0.655 39.693 39.000 0.063 0.000 1.335 258 F HN 0.415 nan 8.300 nan 0.000 0.460 259 N N 1.035 119.734 118.700 -0.002 0.000 3.277 259 N HA 0.755 5.495 4.740 0.000 0.000 0.278 259 N C -1.912 173.611 175.510 0.021 0.000 1.544 259 N CA -0.716 52.279 53.050 -0.091 0.000 0.869 259 N CB 1.845 40.354 38.487 0.036 0.000 1.584 259 N HN 1.110 nan 8.380 nan 0.000 0.564 260 A N -0.140 122.686 122.820 0.010 0.000 2.389 260 A HA 0.803 5.123 4.320 0.000 0.000 0.293 260 A C -0.057 177.582 177.584 0.092 0.000 1.186 260 A CA -0.304 51.789 52.037 0.093 0.000 0.828 260 A CB 0.873 19.890 19.000 0.027 0.000 1.369 260 A HN 0.823 nan 8.150 nan 0.000 0.446 261 T N -2.922 111.695 114.554 0.105 0.000 2.948 261 T HA 0.430 4.780 4.350 0.000 0.000 0.285 261 T C 0.937 175.686 174.700 0.081 0.000 1.019 261 T CA -0.175 61.975 62.100 0.084 0.000 1.013 261 T CB 0.847 69.763 68.868 0.080 0.000 1.117 261 T HN 0.464 nan 8.240 nan 0.000 0.533 262 M N 0.270 119.925 119.600 0.091 0.000 2.202 262 M HA -0.023 4.458 4.480 0.000 0.000 0.262 262 M C 2.030 178.441 176.300 0.185 0.000 1.063 262 M CA 1.656 57.035 55.300 0.132 0.000 1.097 262 M CB -0.896 31.775 32.600 0.118 0.000 1.382 262 M HN 0.896 nan 8.290 nan 0.000 0.413 263 E N -1.622 118.654 120.200 0.128 0.000 2.102 263 E HA -0.021 4.329 4.350 0.000 0.000 0.190 263 E C 1.948 178.621 176.600 0.122 0.000 0.971 263 E CA 0.833 57.309 56.400 0.127 0.000 0.821 263 E CB -0.344 29.391 29.700 0.059 0.000 0.777 263 E HN 0.568 nan 8.360 nan 0.000 0.460 264 G N 1.678 110.535 108.800 0.095 0.000 2.422 264 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 264 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 264 G C 1.523 176.511 174.900 0.145 0.000 1.146 264 G CA 0.642 45.800 45.100 0.097 0.000 0.769 264 G HN 0.283 nan 8.290 nan 0.000 0.547 265 I N 1.097 121.707 120.570 0.067 0.000 2.248 265 I HA -0.184 3.987 4.170 0.000 0.000 0.248 265 I C 2.312 178.274 176.117 -0.258 0.000 1.107 265 I CA 1.205 62.439 61.300 -0.110 0.000 1.373 265 I CB -0.601 37.150 38.000 -0.416 0.000 1.055 265 I HN 0.328 nan 8.210 nan 0.000 0.418 266 H N -0.818 118.180 119.070 -0.119 0.000 2.524 266 H HA 0.051 4.607 4.556 0.000 0.000 0.282 266 H C 2.279 177.583 175.328 -0.040 0.000 1.016 266 H CA 0.865 56.830 56.048 -0.139 0.000 1.270 266 H CB -0.024 29.658 29.762 -0.134 0.000 1.394 266 H HN 0.285 nan 8.280 nan 0.000 0.568 267 R N -0.727 119.831 120.500 0.097 0.000 2.080 267 R HA -0.077 4.264 4.340 0.000 0.000 0.222 267 R C 1.450 177.859 176.300 0.183 0.000 1.107 267 R CA 0.916 57.093 56.100 0.128 0.000 0.980 267 R CB -0.155 30.182 30.300 0.061 0.000 0.879 267 R HN 0.360 nan 8.270 nan 0.000 0.439 268 W N 1.058 122.399 121.300 0.069 0.000 2.318 268 W HA -0.222 4.438 4.660 0.000 0.000 0.313 268 W C 2.490 179.027 176.519 0.029 0.000 1.221 268 W CA 1.339 58.715 57.345 0.052 0.000 1.266 268 W CB -0.337 29.095 29.460 -0.047 0.000 1.150 268 W HN 0.199 nan 8.180 nan 0.000 0.496 269 A N 0.237 123.146 122.820 0.147 0.000 1.851 269 A HA -0.250 4.070 4.320 0.000 0.000 0.216 269 A C 1.928 179.530 177.584 0.030 0.000 1.195 269 A CA 1.908 53.937 52.037 -0.013 0.000 0.622 269 A CB -1.166 17.710 19.000 -0.205 0.000 0.831 269 A HN 0.359 nan 8.150 nan 0.000 0.444 270 I N -2.289 118.293 120.570 0.020 0.000 2.286 270 I HA -0.262 3.909 4.170 0.000 0.000 0.248 270 I C 2.242 178.298 176.117 -0.102 0.000 1.115 270 I CA 1.437 62.698 61.300 -0.064 0.000 1.392 270 I CB -0.081 37.845 38.000 -0.124 0.000 1.065 270 I HN 0.620 nan 8.210 nan 0.000 0.418 271 W N -0.302 121.005 121.300 0.011 0.000 2.453 271 W HA -0.136 4.525 4.660 0.000 0.000 0.289 271 W C 2.412 178.900 176.519 -0.052 0.000 1.215 271 W CA 0.631 57.956 57.345 -0.033 0.000 1.297 271 W CB -0.278 29.144 29.460 -0.064 0.000 1.113 271 W HN 0.115 nan 8.180 nan 0.000 0.551 272 M N 1.100 120.867 119.600 0.278 0.000 2.082 272 M HA -0.173 4.307 4.480 0.000 0.000 0.258 272 M C 2.063 178.460 176.300 0.162 0.000 1.069 272 M CA 2.485 57.945 55.300 0.266 0.000 1.102 272 M CB -0.865 31.911 32.600 0.293 0.000 1.336 272 M HN -0.035 nan 8.290 nan 0.000 0.404 273 A N -0.709 122.177 122.820 0.110 0.000 1.841 273 A HA -0.089 4.231 4.320 0.000 0.000 0.214 273 A C 2.166 179.775 177.584 0.041 0.000 1.195 273 A CA 2.226 54.315 52.037 0.087 0.000 0.611 273 A CB -1.712 17.330 19.000 0.069 0.000 0.835 273 A HN 0.728 nan 8.150 nan 0.000 0.443 274 V N -1.523 118.376 119.914 -0.025 0.000 2.867 274 V HA -0.119 4.002 4.120 0.000 0.000 0.260 274 V C 2.018 178.088 176.094 -0.039 0.000 1.099 274 V CA 1.996 64.266 62.300 -0.050 0.000 1.122 274 V CB -0.762 30.954 31.823 -0.178 0.000 0.708 274 V HN 0.425 nan 8.190 nan 0.000 0.490 275 L N -0.564 120.589 121.223 -0.116 0.000 2.313 275 L HA -0.004 4.336 4.340 0.000 0.000 0.214 275 L C 2.573 179.370 176.870 -0.121 0.000 1.119 275 L CA 0.768 55.436 54.840 -0.286 0.000 0.809 275 L CB -0.319 41.163 42.059 -0.962 0.000 0.933 275 L HN 0.244 nan 8.230 nan 0.000 0.449 276 V N 0.227 120.164 119.914 0.038 0.000 2.220 276 V HA -0.374 3.746 4.120 0.000 0.000 0.250 276 V C 2.615 178.800 176.094 0.151 0.000 1.056 276 V CA 2.750 65.150 62.300 0.166 0.000 1.016 276 V CB -1.121 30.796 31.823 0.156 0.000 0.639 276 V HN 0.665 nan 8.190 nan 0.000 0.446 277 T N -2.213 112.425 114.554 0.140 0.000 3.055 277 T HA 0.009 4.359 4.350 0.000 0.000 0.265 277 T C 1.796 176.669 174.700 0.288 0.000 1.111 277 T CA 1.004 63.209 62.100 0.174 0.000 1.118 277 T CB -0.166 68.800 68.868 0.163 0.000 0.909 277 T HN 0.287 nan 8.240 nan 0.000 0.501 278 L N 2.055 123.424 121.223 0.244 0.000 1.988 278 L HA -0.073 4.267 4.340 0.000 0.000 0.207 278 L C 3.080 180.148 176.870 0.330 0.000 1.071 278 L CA 2.047 57.055 54.840 0.279 0.000 0.744 278 L CB -0.718 41.392 42.059 0.085 0.000 0.893 278 L HN 0.466 nan 8.230 nan 0.000 0.433 279 T N -3.294 111.424 114.554 0.273 0.000 2.746 279 T HA -0.109 4.241 4.350 0.000 0.000 0.267 279 T C 1.914 176.788 174.700 0.290 0.000 1.039 279 T CA 0.868 63.199 62.100 0.386 0.000 1.142 279 T CB -1.463 67.693 68.868 0.480 0.000 0.866 279 T HN 0.434 nan 8.240 nan 0.000 0.444 280 G N 1.807 110.740 108.800 0.222 0.000 2.553 280 G HA2 -0.090 3.871 3.960 0.000 0.000 0.218 280 G HA3 -0.090 3.871 3.960 0.000 0.000 0.218 280 G C 1.798 176.724 174.900 0.042 0.000 1.195 280 G CA 0.951 46.127 45.100 0.127 0.000 0.779 280 G HN 0.691 nan 8.290 nan 0.000 0.577 281 G N 0.681 109.490 108.800 0.016 0.000 2.475 281 G HA2 -0.182 3.778 3.960 0.000 0.000 0.220 281 G HA3 -0.182 3.778 3.960 0.000 0.000 0.220 281 G C 1.799 176.589 174.900 -0.183 0.000 1.125 281 G CA 0.969 45.864 45.100 -0.341 0.000 0.755 281 G HN 0.481 nan 8.290 nan 0.000 0.565 282 I N 0.997 121.619 120.570 0.086 0.000 2.233 282 I HA -0.005 4.165 4.170 0.000 0.000 0.243 282 I C 3.106 179.065 176.117 -0.263 0.000 1.093 282 I CA 0.907 62.139 61.300 -0.113 0.000 1.380 282 I CB -0.478 37.252 38.000 -0.450 0.000 1.067 282 I HN 0.215 nan 8.210 nan 0.000 0.413 283 G N 1.512 110.185 108.800 -0.212 0.000 2.469 283 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 283 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 283 G C 1.566 176.481 174.900 0.025 0.000 1.150 283 G CA 0.719 45.776 45.100 -0.072 0.000 0.763 283 G HN 0.191 nan 8.290 nan 0.000 0.561 284 I N 0.276 120.840 120.570 -0.010 0.000 2.286 284 I HA 0.013 4.183 4.170 0.000 0.000 0.245 284 I C 2.593 178.747 176.117 0.061 0.000 1.104 284 I CA 0.432 61.746 61.300 0.024 0.000 1.397 284 I CB -1.134 36.793 38.000 -0.122 0.000 1.072 284 I HN 0.135 nan 8.210 nan 0.000 0.417 285 L N 0.791 121.988 121.223 -0.044 0.000 2.079 285 L HA -0.138 4.202 4.340 0.000 0.000 0.210 285 L C 2.246 179.140 176.870 0.039 0.000 1.081 285 L CA 1.757 56.578 54.840 -0.031 0.000 0.752 285 L CB -0.510 41.507 42.059 -0.069 0.000 0.896 285 L HN 0.129 nan 8.230 nan 0.000 0.433 286 L N -1.360 119.909 121.223 0.076 0.000 2.395 286 L HA 0.005 4.345 4.340 0.000 0.000 0.218 286 L C 0.928 177.855 176.870 0.094 0.000 1.130 286 L CA -0.041 54.864 54.840 0.108 0.000 0.826 286 L CB -0.357 41.821 42.059 0.199 0.000 0.941 286 L HN 0.038 nan 8.230 nan 0.000 0.451 287 S N 0.186 115.978 115.700 0.154 0.000 2.455 287 S HA 0.374 4.844 4.470 0.000 0.000 0.278 287 S C 1.080 175.569 174.600 -0.184 0.000 1.216 287 S CA 0.474 58.654 58.200 -0.033 0.000 1.055 287 S CB 0.863 64.050 63.200 -0.021 0.000 0.939 287 S HN 0.564 nan 8.310 nan 0.000 0.494 288 G N 3.237 111.968 108.800 -0.115 0.000 2.299 288 G HA2 -0.366 3.594 3.960 0.000 0.000 0.237 288 G HA3 -0.366 3.594 3.960 0.000 0.000 0.237 288 G C 1.110 176.001 174.900 -0.015 0.000 1.027 288 G CA 0.838 45.962 45.100 0.039 0.000 0.619 288 G HN 0.799 nan 8.290 nan 0.000 0.513 289 T N -1.937 112.602 114.554 -0.024 0.000 2.894 289 T HA 0.350 4.700 4.350 0.000 0.000 0.258 289 T C 2.082 176.760 174.700 -0.036 0.000 1.043 289 T CA 2.248 64.335 62.100 -0.021 0.000 1.141 289 T CB 0.109 68.976 68.868 -0.003 0.000 0.873 289 T HN 0.707 nan 8.240 nan 0.000 0.449 290 V N -0.061 119.817 119.914 -0.060 0.000 3.250 290 V HA 0.361 4.482 4.120 0.000 0.000 0.240 290 V C 0.271 176.278 176.094 -0.145 0.000 1.275 290 V CA -0.150 62.111 62.300 -0.065 0.000 1.206 290 V CB 1.123 32.931 31.823 -0.025 0.000 0.976 290 V HN 0.312 nan 8.190 nan 0.000 0.467 291 V N 1.232 120.967 119.914 -0.299 0.000 2.378 291 V HA 0.425 4.545 4.120 0.000 0.000 0.288 291 V C 0.363 176.195 176.094 -0.437 0.000 1.016 291 V CA -0.343 61.635 62.300 -0.537 0.000 0.840 291 V CB 1.568 32.574 31.823 -1.361 0.000 0.994 291 V HN 0.251 nan 8.190 nan 0.000 0.431 292 D N 2.317 122.559 120.400 -0.262 0.000 2.213 292 D HA 0.022 4.662 4.640 0.000 0.000 0.205 292 D C 0.650 176.872 176.300 -0.129 0.000 0.961 292 D CA 1.116 55.034 54.000 -0.136 0.000 0.853 292 D CB 0.389 41.125 40.800 -0.106 0.000 0.967 292 D HN 0.509 nan 8.370 nan 0.000 0.496 293 N N -0.479 118.108 118.700 -0.189 0.000 2.558 293 N HA 0.008 4.748 4.740 0.000 0.000 0.285 293 N C -0.074 175.428 175.510 -0.014 0.000 1.112 293 N CA -0.370 52.651 53.050 -0.048 0.000 0.857 293 N CB 0.454 38.951 38.487 0.017 0.000 1.376 293 N HN -0.091 nan 8.380 nan 0.000 0.526 294 W N 1.807 123.227 121.300 0.200 0.000 2.374 294 W HA -0.142 4.518 4.660 0.000 0.000 0.288 294 W C 1.810 178.508 176.519 0.298 0.000 1.218 294 W CA 0.562 58.060 57.345 0.256 0.000 1.245 294 W CB -0.240 29.364 29.460 0.241 0.000 1.126 294 W HN 0.672 nan 8.180 nan 0.000 0.545 295 Y N 0.569 121.011 120.300 0.237 0.000 2.181 295 Y HA -0.284 4.267 4.550 0.000 0.000 0.288 295 Y C 2.220 178.068 175.900 -0.088 0.000 1.146 295 Y CA 2.050 60.020 58.100 -0.217 0.000 1.164 295 Y CB -0.814 37.460 38.460 -0.309 0.000 0.982 295 Y HN -0.223 nan 8.280 nan 0.000 0.515 296 V N -0.609 119.320 119.914 0.025 0.000 2.261 296 V HA -0.319 3.801 4.120 0.000 0.000 0.246 296 V C 2.114 178.173 176.094 -0.058 0.000 1.047 296 V CA 2.061 64.323 62.300 -0.063 0.000 1.015 296 V CB -1.196 30.642 31.823 0.025 0.000 0.642 296 V HN 0.724 nan 8.190 nan 0.000 0.446 297 W N 1.410 122.637 121.300 -0.121 0.000 2.290 297 W HA -0.251 4.409 4.660 0.000 0.000 0.323 297 W C 2.300 178.795 176.519 -0.039 0.000 1.260 297 W CA 2.366 59.671 57.345 -0.066 0.000 1.266 297 W CB -0.807 28.626 29.460 -0.044 0.000 1.149 297 W HN 0.269 nan 8.180 nan 0.000 0.482 298 G N -0.649 108.299 108.800 0.247 0.000 2.498 298 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 298 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 298 G C 1.389 176.052 174.900 -0.395 0.000 1.119 298 G CA 0.818 45.916 45.100 -0.003 0.000 0.766 298 G HN 0.319 nan 8.290 nan 0.000 0.552 299 Q N 0.384 119.923 119.800 -0.436 0.000 2.212 299 Q HA 0.044 4.384 4.340 0.000 0.000 0.199 299 Q C 1.699 177.482 176.000 -0.361 0.000 0.950 299 Q CA 0.361 55.889 55.803 -0.458 0.000 0.863 299 Q CB -0.134 28.320 28.738 -0.474 0.000 0.944 299 Q HN 0.426 nan 8.270 nan 0.000 0.465 300 N N 0.630 119.129 118.700 -0.334 0.000 2.515 300 N HA -0.079 4.661 4.740 0.000 0.000 0.191 300 N C 0.016 175.345 175.510 -0.300 0.000 1.182 300 N CA 0.176 53.058 53.050 -0.280 0.000 0.879 300 N CB 0.016 38.347 38.487 -0.258 0.000 0.984 300 N HN 0.299 nan 8.380 nan 0.000 0.453 301 H N -0.461 118.364 119.070 -0.409 0.000 3.810 301 H HA -0.202 4.354 4.556 0.000 0.000 0.228 301 H C 0.646 175.429 175.328 -0.909 0.000 0.988 301 H CA 1.585 57.347 56.048 -0.477 0.000 1.214 301 H CB -0.975 28.631 29.762 -0.259 0.000 1.201 301 H HN 0.489 nan 8.280 nan 0.000 0.321 302 G N -1.225 106.983 108.800 -0.987 0.000 3.100 302 G HA2 0.599 4.559 3.960 0.000 0.000 0.233 302 G HA3 0.599 4.559 3.960 0.000 0.000 0.233 302 G C -0.407 174.158 174.900 -0.560 0.000 3.794 302 G CA 0.392 44.741 45.100 -1.251 0.000 0.453 302 G HN 0.754 nan 8.290 nan 0.000 0.329 303 M N 0.000 119.310 119.600 -0.483 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411