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 1byd_1_A DATA FIRST_RESID 5 DATA SEQUENCE SNMLLNYVPV YVMLPLGVVN VDNVFEDPDG LKEQLLQLRA AGVDGVMVDV DATA SEQUENCE WWGIIELKGP KQYDWRAYRS LFQLVQECGL TLQAIMSFHQ CGGNVGDIVN DATA SEQUENCE IPIPQWVLDI GESNHDIFYT NRSGTRNKEY LTVGVDNEPI FHGRTAIEIY DATA SEQUENCE SDYMKSFREN MSDFLESGLI IDIEVGLGPA GELRYPSYPQ SQGWEFPRIG DATA SEQUENCE EFQCYDKYLK ADFKAAVARA GHPEWELPDD AGKYNDVPES TGFFKSNGTY DATA SEQUENCE VTEKGKFFLT WYSNKLLNHG DQILDEANKA FLGCKVKLAI KVSGIHWWYK DATA SEQUENCE VENHAAELTA GYYNLNDRDG YRPIARMLSR HHAILNFTCL EMRDSEQPSD DATA SEQUENCE AKSGPQELVQ QVLSGGWRED IRVAGENALP RYDATAYNQI ILNAKPQGVN DATA SEQUENCE NNGPPKLSMF GVTYLRLSDD LLQKSNFNIF KKFVLKMHAD QDYCANPQKY DATA SEQUENCE NHAITPLKPS APKIPIEVLL EATKPTLPFP WLPETDMKVD G 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.586 174.600 -0.024 0.000 1.055 5 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 5 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 6 N N 0.381 119.066 118.700 -0.024 0.000 2.229 6 N HA 0.187 4.927 4.740 -0.000 0.000 0.242 6 N C 1.050 176.545 175.510 -0.024 0.000 1.327 6 N CA -0.085 52.950 53.050 -0.026 0.000 0.896 6 N CB 0.110 38.579 38.487 -0.029 0.000 1.129 6 N HN 0.524 nan 8.380 nan 0.000 0.490 7 M N -0.094 119.491 119.600 -0.025 0.000 2.325 7 M HA 0.119 4.598 4.480 -0.000 0.000 0.265 7 M C 1.924 178.216 176.300 -0.014 0.000 1.094 7 M CA 0.779 56.065 55.300 -0.023 0.000 1.161 7 M CB -1.498 31.087 32.600 -0.025 0.000 1.358 7 M HN 0.558 nan 8.290 nan 0.000 0.446 8 L N 0.521 121.733 121.223 -0.017 0.000 2.357 8 L HA -0.231 4.109 4.340 -0.000 0.000 0.220 8 L C 1.869 178.749 176.870 0.018 0.000 1.123 8 L CA 0.502 55.332 54.840 -0.016 0.000 0.782 8 L CB -0.296 41.730 42.059 -0.057 0.000 0.910 8 L HN 0.213 nan 8.230 nan 0.000 0.442 9 L N -0.655 120.577 121.223 0.016 0.000 2.465 9 L HA -0.112 4.227 4.340 -0.000 0.000 0.224 9 L C 1.874 178.764 176.870 0.033 0.000 1.145 9 L CA 1.362 56.225 54.840 0.038 0.000 0.834 9 L CB -0.925 41.140 42.059 0.011 0.000 0.944 9 L HN 0.328 nan 8.230 nan 0.000 0.451 10 N N -1.997 116.709 118.700 0.009 0.000 2.299 10 N HA -0.077 4.662 4.740 -0.000 0.000 0.187 10 N C 0.102 175.594 175.510 -0.030 0.000 1.099 10 N CA -0.062 52.975 53.050 -0.022 0.000 0.867 10 N CB 0.459 38.919 38.487 -0.045 0.000 0.974 10 N HN 0.196 nan 8.380 nan 0.000 0.477 11 Y N 2.024 122.192 120.300 -0.220 0.000 2.620 11 Y HA 0.027 4.577 4.550 -0.000 0.000 0.330 11 Y C -0.168 175.470 175.900 -0.436 0.000 1.186 11 Y CA 0.266 58.129 58.100 -0.395 0.000 1.467 11 Y CB 0.504 38.565 38.460 -0.665 0.000 1.262 11 Y HN -0.302 nan 8.280 nan 0.000 0.550 12 V N 9.352 129.041 119.914 -0.375 0.000 2.444 12 V HA 0.340 4.460 4.120 -0.000 0.000 0.294 12 V C -2.106 173.763 176.094 -0.376 0.000 1.022 12 V CA -2.052 60.089 62.300 -0.266 0.000 0.850 12 V CB 1.506 33.248 31.823 -0.135 0.000 0.992 12 V HN 0.705 nan 8.190 nan 0.000 0.426 13 P HA 0.250 nan 4.420 nan 0.000 0.272 13 P C -0.914 176.199 177.300 -0.311 0.000 1.240 13 P CA -0.071 62.867 63.100 -0.270 0.000 0.791 13 P CB 1.120 32.715 31.700 -0.175 0.000 0.978 14 V N 2.014 121.664 119.914 -0.440 0.000 2.531 14 V HA 0.360 4.480 4.120 -0.000 0.000 0.301 14 V C -0.571 175.227 176.094 -0.494 0.000 1.034 14 V CA -0.427 61.650 62.300 -0.371 0.000 0.865 14 V CB 1.070 32.607 31.823 -0.477 0.000 0.995 14 V HN 0.408 nan 8.190 nan 0.000 0.424 15 Y N 2.530 122.925 120.300 0.159 0.000 2.587 15 Y HA 0.788 5.338 4.550 -0.001 0.000 0.337 15 Y C -0.017 176.043 175.900 0.267 0.000 1.065 15 Y CA -1.173 57.038 58.100 0.184 0.000 1.126 15 Y CB 2.059 40.609 38.460 0.150 0.000 1.279 15 Y HN 0.330 nan 8.280 nan 0.000 0.489 16 V N 3.133 123.277 119.914 0.383 0.000 2.531 16 V HA 0.325 4.445 4.120 -0.000 0.000 0.301 16 V C -0.311 175.945 176.094 0.270 0.000 1.034 16 V CA -1.102 61.416 62.300 0.364 0.000 0.865 16 V CB 1.471 33.483 31.823 0.314 0.000 0.995 16 V HN 0.713 nan 8.190 nan 0.000 0.424 17 M N 4.880 124.616 119.600 0.227 0.000 2.245 17 M HA 0.353 4.833 4.480 -0.000 0.000 0.344 17 M C -0.196 176.196 176.300 0.153 0.000 1.170 17 M CA 0.150 55.547 55.300 0.160 0.000 1.135 17 M CB 0.429 33.096 32.600 0.111 0.000 1.574 17 M HN 0.405 nan 8.290 nan 0.000 0.452 18 L N 2.989 124.298 121.223 0.143 0.000 2.466 18 L HA 0.340 4.680 4.340 -0.000 0.000 0.257 18 L C -1.944 175.011 176.870 0.141 0.000 1.189 18 L CA -1.898 53.025 54.840 0.139 0.000 0.813 18 L CB 0.328 42.470 42.059 0.138 0.000 1.118 18 L HN 0.338 nan 8.230 nan 0.000 0.471 19 P HA 0.121 nan 4.420 nan 0.000 0.269 19 P C -0.622 176.778 177.300 0.167 0.000 1.215 19 P CA -0.184 62.995 63.100 0.131 0.000 0.780 19 P CB 0.442 32.210 31.700 0.112 0.000 0.898 20 L N 1.062 122.386 121.223 0.167 0.000 2.452 20 L HA 0.316 4.655 4.340 -0.000 0.000 0.267 20 L C 1.813 178.780 176.870 0.161 0.000 1.188 20 L CA 0.619 55.591 54.840 0.221 0.000 0.821 20 L CB -0.619 41.546 42.059 0.177 0.000 1.102 20 L HN 0.757 nan 8.230 nan 0.000 0.470 21 G N 1.035 109.941 108.800 0.177 0.000 2.189 21 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 21 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 21 G C 0.869 175.840 174.900 0.119 0.000 0.975 21 G CA 0.570 45.727 45.100 0.094 0.000 0.644 21 G HN 0.584 nan 8.290 nan 0.000 0.537 22 V N -0.530 119.475 119.914 0.151 0.000 2.428 22 V HA -0.059 4.061 4.120 -0.000 0.000 0.255 22 V C 1.346 177.520 176.094 0.134 0.000 1.080 22 V CA 2.399 64.788 62.300 0.149 0.000 1.083 22 V CB -0.028 31.874 31.823 0.132 0.000 0.665 22 V HN 0.576 nan 8.190 nan 0.000 0.461 23 V N 2.574 122.510 119.914 0.036 0.000 2.378 23 V HA 0.387 4.507 4.120 -0.000 0.000 0.288 23 V C 0.016 176.145 176.094 0.059 0.000 1.016 23 V CA -0.580 61.705 62.300 -0.024 0.000 0.840 23 V CB 1.564 33.158 31.823 -0.381 0.000 0.994 23 V HN 0.769 nan 8.190 nan 0.000 0.431 24 N N 4.494 123.229 118.700 0.059 0.000 2.364 24 N HA 0.156 4.896 4.740 -0.000 0.000 0.264 24 N C 1.186 176.710 175.510 0.024 0.000 1.263 24 N CA 0.004 53.073 53.050 0.032 0.000 0.959 24 N CB 0.581 39.082 38.487 0.023 0.000 1.204 24 N HN 0.327 nan 8.380 nan 0.000 0.550 25 V N -3.508 116.396 119.914 -0.017 0.000 2.568 25 V HA -0.130 3.990 4.120 -0.000 0.000 0.253 25 V C 0.693 176.792 176.094 0.009 0.000 1.072 25 V CA 1.790 64.075 62.300 -0.025 0.000 1.084 25 V CB -0.762 31.028 31.823 -0.056 0.000 0.676 25 V HN 0.566 nan 8.190 nan 0.000 0.469 26 D N 0.620 121.029 120.400 0.016 0.000 2.324 26 D HA 0.056 4.696 4.640 -0.000 0.000 0.235 26 D C 0.879 177.205 176.300 0.044 0.000 1.095 26 D CA 0.483 54.498 54.000 0.024 0.000 0.871 26 D CB -0.660 40.151 40.800 0.018 0.000 0.906 26 D HN 0.769 nan 8.370 nan 0.000 0.522 27 N N -0.088 118.650 118.700 0.064 0.000 2.758 27 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 27 N C -1.247 174.307 175.510 0.074 0.000 1.076 27 N CA -0.195 52.908 53.050 0.087 0.000 0.696 27 N CB -0.487 38.054 38.487 0.091 0.000 0.979 27 N HN -0.087 nan 8.380 nan 0.000 0.550 28 V N 2.180 122.135 119.914 0.068 0.000 2.487 28 V HA 0.376 4.496 4.120 -0.000 0.000 0.298 28 V C -0.133 176.039 176.094 0.130 0.000 1.028 28 V CA -0.713 61.635 62.300 0.081 0.000 0.860 28 V CB 1.313 33.167 31.823 0.053 0.000 0.991 28 V HN 0.221 nan 8.190 nan 0.000 0.427 29 F N 4.141 124.064 119.950 -0.046 0.000 2.439 29 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 29 F C 1.183 176.966 175.800 -0.029 0.000 1.161 29 F CA -0.496 57.466 58.000 -0.063 0.000 1.151 29 F CB 0.363 39.322 39.000 -0.068 0.000 1.222 29 F HN 0.729 nan 8.300 nan 0.000 0.558 30 E N 2.202 122.487 120.200 0.142 0.000 2.051 30 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 30 E C -0.009 176.493 176.600 -0.164 0.000 0.991 30 E CA 1.497 57.883 56.400 -0.023 0.000 0.799 30 E CB 0.165 29.884 29.700 0.031 0.000 0.748 30 E HN 0.577 nan 8.360 nan 0.000 0.449 31 D N -1.353 118.907 120.400 -0.234 0.000 2.621 31 D HA 0.092 4.732 4.640 -0.000 0.000 0.274 31 D C -2.182 173.910 176.300 -0.346 0.000 1.215 31 D CA -1.715 52.144 54.000 -0.235 0.000 0.810 31 D CB 0.889 41.639 40.800 -0.084 0.000 1.248 31 D HN -0.179 nan 8.370 nan 0.000 0.517 32 P HA -0.096 nan 4.420 nan 0.000 0.218 32 P C 0.918 178.118 177.300 -0.166 0.000 1.148 32 P CA 0.835 63.573 63.100 -0.604 0.000 0.822 32 P CB 0.516 31.811 31.700 -0.675 0.000 0.784 33 D N -0.477 119.834 120.400 -0.148 0.000 2.149 33 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 33 D C 2.239 178.519 176.300 -0.034 0.000 0.972 33 D CA 1.522 55.482 54.000 -0.067 0.000 0.835 33 D CB -0.571 40.189 40.800 -0.067 0.000 0.966 33 D HN 0.174 nan 8.370 nan 0.000 0.476 34 G N 1.231 110.006 108.800 -0.042 0.000 2.404 34 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 34 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 34 G C 1.648 176.561 174.900 0.021 0.000 1.174 34 G CA 0.266 45.359 45.100 -0.013 0.000 0.780 34 G HN 0.204 nan 8.290 nan 0.000 0.537 35 L N 0.842 122.099 121.223 0.058 0.000 2.083 35 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 35 L C 2.642 179.570 176.870 0.097 0.000 1.083 35 L CA 2.285 57.193 54.840 0.114 0.000 0.752 35 L CB -0.402 41.801 42.059 0.240 0.000 0.899 35 L HN 0.247 nan 8.230 nan 0.000 0.433 36 K N -0.869 119.581 120.400 0.083 0.000 2.057 36 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 36 K C 1.905 178.531 176.600 0.044 0.000 1.049 36 K CA 1.487 57.818 56.287 0.074 0.000 0.931 36 K CB -0.024 32.511 32.500 0.059 0.000 0.714 36 K HN 0.282 nan 8.250 nan 0.000 0.440 37 E N 1.109 121.321 120.200 0.021 0.000 2.110 37 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 37 E C 2.097 178.693 176.600 -0.007 0.000 0.988 37 E CA 1.176 57.577 56.400 0.003 0.000 0.804 37 E CB -0.154 29.538 29.700 -0.012 0.000 0.745 37 E HN 0.467 nan 8.360 nan 0.000 0.458 38 Q N 0.034 119.834 119.800 -0.001 0.000 2.002 38 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 38 Q C 2.131 178.144 176.000 0.023 0.000 0.988 38 Q CA 1.065 56.862 55.803 -0.010 0.000 0.843 38 Q CB -0.248 28.493 28.738 0.005 0.000 0.908 38 Q HN 0.152 nan 8.270 nan 0.000 0.420 39 L N 0.628 121.884 121.223 0.056 0.000 2.081 39 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 39 L C 2.193 179.099 176.870 0.061 0.000 1.080 39 L CA 1.579 56.462 54.840 0.072 0.000 0.754 39 L CB -0.967 41.143 42.059 0.084 0.000 0.893 39 L HN 0.261 nan 8.230 nan 0.000 0.433 40 L N -1.331 119.920 121.223 0.046 0.000 2.083 40 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 40 L C 2.662 179.562 176.870 0.050 0.000 1.083 40 L CA 0.868 55.732 54.840 0.040 0.000 0.752 40 L CB -0.490 41.587 42.059 0.030 0.000 0.899 40 L HN 0.354 nan 8.230 nan 0.000 0.433 41 Q N -0.031 119.793 119.800 0.041 0.000 2.084 41 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 41 Q C 2.376 178.528 176.000 0.254 0.000 0.978 41 Q CA 1.399 57.252 55.803 0.082 0.000 0.844 41 Q CB -0.283 28.393 28.738 -0.103 0.000 0.898 41 Q HN 0.558 nan 8.270 nan 0.000 0.426 42 L N 0.255 121.604 121.223 0.210 0.000 2.046 42 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 42 L C 2.634 179.570 176.870 0.111 0.000 1.077 42 L CA 1.136 56.121 54.840 0.242 0.000 0.747 42 L CB -0.449 41.717 42.059 0.179 0.000 0.896 42 L HN 0.144 nan 8.230 nan 0.000 0.432 43 R N 0.912 121.436 120.500 0.039 0.000 2.096 43 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 43 R C 2.178 178.434 176.300 -0.072 0.000 1.127 43 R CA 1.701 57.760 56.100 -0.068 0.000 0.968 43 R CB -0.532 29.743 30.300 -0.042 0.000 0.861 43 R HN 0.313 nan 8.270 nan 0.000 0.440 44 A N 0.082 122.915 122.820 0.022 0.000 1.930 44 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 44 A C 2.310 179.908 177.584 0.025 0.000 1.175 44 A CA 1.390 53.449 52.037 0.036 0.000 0.627 44 A CB -0.859 18.191 19.000 0.083 0.000 0.815 44 A HN 0.472 nan 8.150 nan 0.000 0.443 45 A N -1.776 121.076 122.820 0.052 0.000 2.067 45 A HA 0.325 4.644 4.320 -0.000 0.000 0.219 45 A C 1.942 179.454 177.584 -0.121 0.000 1.158 45 A CA 1.673 53.671 52.037 -0.064 0.000 0.661 45 A CB -0.815 18.135 19.000 -0.083 0.000 0.801 45 A HN 1.886 nan 8.150 nan 0.000 0.452 46 G N -2.385 106.349 108.800 -0.110 0.000 2.163 46 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 46 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 46 G C 0.137 175.005 174.900 -0.053 0.000 0.991 46 G CA -0.050 44.996 45.100 -0.090 0.000 0.653 46 G HN 0.766 nan 8.290 nan 0.000 0.518 47 V N 1.689 121.536 119.914 -0.110 0.000 2.599 47 V HA 0.133 4.253 4.120 -0.000 0.000 0.300 47 V C 1.445 177.496 176.094 -0.071 0.000 1.034 47 V CA 0.870 63.134 62.300 -0.060 0.000 1.115 47 V CB 1.130 32.990 31.823 0.062 0.000 0.934 47 V HN 0.362 nan 8.190 nan 0.000 0.485 48 D N 2.967 123.353 120.400 -0.023 0.000 2.162 48 D HA 0.132 4.772 4.640 -0.000 0.000 0.203 48 D C 0.765 177.102 176.300 0.062 0.000 0.967 48 D CA 1.459 55.503 54.000 0.074 0.000 0.840 48 D CB 0.703 41.484 40.800 -0.031 0.000 0.972 48 D HN 0.737 nan 8.370 nan 0.000 0.482 49 G N -0.303 108.520 108.800 0.038 0.000 2.619 49 G HA2 0.476 4.436 3.960 -0.000 0.000 0.305 49 G HA3 0.476 4.436 3.960 -0.000 0.000 0.305 49 G C -1.473 173.627 174.900 0.332 0.000 1.330 49 G CA -0.204 45.066 45.100 0.283 0.000 0.789 49 G HN 0.088 nan 8.290 nan 0.000 0.487 50 V N -2.866 117.229 119.914 0.302 0.000 3.159 50 V HA 0.897 5.017 4.120 -0.000 0.000 0.308 50 V C -0.467 175.727 176.094 0.167 0.000 1.190 50 V CA -1.036 61.406 62.300 0.236 0.000 1.037 50 V CB 1.937 33.855 31.823 0.158 0.000 1.060 50 V HN 1.123 nan 8.190 nan 0.000 0.437 51 M N 2.793 122.480 119.600 0.144 0.000 2.465 51 M HA 0.887 5.366 4.480 -0.000 0.000 0.316 51 M C -1.982 174.363 176.300 0.075 0.000 1.121 51 M CA -0.741 54.601 55.300 0.069 0.000 0.934 51 M CB 2.034 34.670 32.600 0.062 0.000 1.692 51 M HN 0.874 nan 8.290 nan 0.000 0.444 52 V N 3.895 123.838 119.914 0.047 0.000 2.932 52 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 52 V C -1.351 174.739 176.094 -0.007 0.000 1.147 52 V CA -0.702 61.655 62.300 0.095 0.000 0.951 52 V CB 2.592 34.546 31.823 0.218 0.000 1.031 52 V HN 0.927 nan 8.190 nan 0.000 0.426 53 D N 3.635 123.972 120.400 -0.105 0.000 2.350 53 D HA 0.258 4.897 4.640 -0.000 0.000 0.249 53 D C -0.349 175.709 176.300 -0.404 0.000 1.119 53 D CA 0.186 53.862 54.000 -0.541 0.000 0.886 53 D CB 2.045 42.020 40.800 -1.375 0.000 1.195 53 D HN 0.334 nan 8.370 nan 0.000 0.437 54 V N 3.798 123.416 119.914 -0.493 0.000 2.217 54 V HA 0.085 4.205 4.120 -0.000 0.000 0.264 54 V C -0.286 175.639 176.094 -0.281 0.000 1.107 54 V CA -0.900 61.106 62.300 -0.490 0.000 0.913 54 V CB -0.560 31.050 31.823 -0.355 0.000 1.153 54 V HN 0.451 nan 8.190 nan 0.000 0.469 55 W N 2.891 124.227 121.300 0.061 0.000 2.505 55 W HA 0.047 4.708 4.660 0.002 0.000 0.332 55 W C 1.127 177.762 176.519 0.193 0.000 1.434 55 W CA -0.074 57.319 57.345 0.080 0.000 1.320 55 W CB 0.271 29.788 29.460 0.097 0.000 1.363 55 W HN 0.752 nan 8.180 nan 0.000 0.565 56 W N 3.577 124.926 121.300 0.081 0.000 2.342 56 W HA -0.138 4.523 4.660 0.002 0.000 0.297 56 W C 1.872 178.502 176.519 0.186 0.000 1.213 56 W CA 2.123 59.484 57.345 0.028 0.000 1.251 56 W CB -0.823 28.547 29.460 -0.151 0.000 1.136 56 W HN 0.387 nan 8.180 nan 0.000 0.526 57 G N 0.154 108.985 108.800 0.052 0.000 2.598 57 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 57 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 57 G C 1.538 176.428 174.900 -0.018 0.000 1.131 57 G CA 0.920 45.898 45.100 -0.204 0.000 0.785 57 G HN 0.355 nan 8.290 nan 0.000 0.539 58 I N 0.507 121.172 120.570 0.159 0.000 2.494 58 I HA 0.016 4.186 4.170 -0.000 0.000 0.250 58 I C 2.305 178.516 176.117 0.157 0.000 1.112 58 I CA 0.215 61.612 61.300 0.162 0.000 1.438 58 I CB 0.019 38.194 38.000 0.292 0.000 1.111 58 I HN 0.030 nan 8.210 nan 0.000 0.431 59 I N 0.616 121.317 120.570 0.218 0.000 2.202 59 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 59 I C 1.883 178.075 176.117 0.125 0.000 1.091 59 I CA 1.602 62.965 61.300 0.104 0.000 1.368 59 I CB -0.952 37.035 38.000 -0.021 0.000 1.058 59 I HN 0.299 nan 8.210 nan 0.000 0.410 60 E N 1.026 121.411 120.200 0.309 0.000 2.411 60 E HA 0.019 4.369 4.350 -0.000 0.000 0.204 60 E C 1.645 178.406 176.600 0.269 0.000 1.059 60 E CA -0.272 56.313 56.400 0.308 0.000 1.112 60 E CB 0.207 30.317 29.700 0.684 0.000 1.168 60 E HN 0.183 nan 8.360 nan 0.000 0.445 61 L N 0.998 122.299 121.223 0.131 0.000 1.989 61 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 61 L C 2.025 179.004 176.870 0.182 0.000 1.071 61 L CA 1.958 56.861 54.840 0.105 0.000 0.749 61 L CB -0.285 41.802 42.059 0.046 0.000 0.890 61 L HN 0.005 nan 8.230 nan 0.000 0.431 62 K N -0.271 120.181 120.400 0.087 0.000 2.103 62 K HA 0.149 4.468 4.320 -0.000 0.000 0.207 62 K C 0.644 177.234 176.600 -0.017 0.000 1.048 62 K CA 0.943 57.250 56.287 0.034 0.000 0.930 62 K CB -0.349 32.138 32.500 -0.023 0.000 0.716 62 K HN 0.642 nan 8.250 nan 0.000 0.444 63 G N -1.761 106.944 108.800 -0.159 0.000 2.322 63 G HA2 0.202 4.161 3.960 -0.000 0.000 0.295 63 G HA3 0.202 4.161 3.960 -0.000 0.000 0.295 63 G C -3.093 171.251 174.900 -0.927 0.000 1.369 63 G CA -1.163 43.575 45.100 -0.604 0.000 0.821 63 G HN -0.248 nan 8.290 nan 0.000 0.536 64 P HA 0.284 nan 4.420 nan 0.000 0.267 64 P C -0.063 176.938 177.300 -0.499 0.000 1.209 64 P CA 0.397 62.926 63.100 -0.951 0.000 0.763 64 P CB 0.550 31.735 31.700 -0.859 0.000 0.816 65 K N 0.371 120.500 120.400 -0.453 0.000 3.281 65 K HA -0.189 4.130 4.320 -0.000 0.000 0.295 65 K C -0.064 176.157 176.600 -0.631 0.000 1.233 65 K CA 0.730 56.654 56.287 -0.604 0.000 0.866 65 K CB -1.397 31.010 32.500 -0.155 0.000 1.265 65 K HN 0.563 nan 8.250 nan 0.000 0.482 66 Q N 0.910 120.374 119.800 -0.561 0.000 2.810 66 Q HA 0.146 4.485 4.340 -0.000 0.000 0.236 66 Q C -0.746 175.059 176.000 -0.326 0.000 1.278 66 Q CA 0.135 55.738 55.803 -0.333 0.000 1.065 66 Q CB 0.023 28.632 28.738 -0.216 0.000 1.364 66 Q HN 0.199 nan 8.270 nan 0.000 0.570 67 Y N 0.370 120.633 120.300 -0.061 0.000 2.320 67 Y HA 0.269 4.819 4.550 -0.000 0.000 0.324 67 Y C 0.552 176.260 175.900 -0.320 0.000 1.190 67 Y CA -1.042 56.887 58.100 -0.285 0.000 1.215 67 Y CB 0.958 39.121 38.460 -0.495 0.000 1.221 67 Y HN 0.214 nan 8.280 nan 0.000 0.486 68 D N 1.801 122.038 120.400 -0.272 0.000 2.440 68 D HA 0.165 4.804 4.640 -0.000 0.000 0.252 68 D C -0.922 175.259 176.300 -0.198 0.000 1.180 68 D CA -0.859 53.055 54.000 -0.143 0.000 0.894 68 D CB 0.298 41.083 40.800 -0.025 0.000 1.111 68 D HN 0.576 nan 8.370 nan 0.000 0.544 69 W N 2.800 124.179 121.300 0.131 0.000 3.290 69 W HA 0.241 4.902 4.660 0.001 0.000 0.287 69 W C 2.039 178.607 176.519 0.083 0.000 1.288 69 W CA -0.518 56.881 57.345 0.089 0.000 1.725 69 W CB 0.349 29.812 29.460 0.004 0.000 1.103 69 W HN 0.278 nan 8.180 nan 0.000 0.670 70 R N 0.809 121.463 120.500 0.257 0.000 2.080 70 R HA -0.188 4.152 4.340 -0.000 0.000 0.236 70 R C 2.418 178.812 176.300 0.157 0.000 1.137 70 R CA 1.954 58.168 56.100 0.191 0.000 0.943 70 R CB -0.882 29.503 30.300 0.141 0.000 0.846 70 R HN 0.173 nan 8.270 nan 0.000 0.431 71 A N -0.013 122.889 122.820 0.137 0.000 1.972 71 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 71 A C 1.843 179.370 177.584 -0.096 0.000 1.169 71 A CA 1.221 53.296 52.037 0.064 0.000 0.635 71 A CB -0.628 18.400 19.000 0.046 0.000 0.810 71 A HN 0.363 nan 8.150 nan 0.000 0.446 72 Y N -0.250 119.991 120.300 -0.099 0.000 2.293 72 Y HA -0.121 4.430 4.550 0.000 0.000 0.291 72 Y C 2.618 178.138 175.900 -0.633 0.000 1.137 72 Y CA 1.524 59.375 58.100 -0.416 0.000 1.202 72 Y CB -0.172 38.036 38.460 -0.420 0.000 0.990 72 Y HN 0.237 nan 8.280 nan 0.000 0.537 73 R N -0.647 119.782 120.500 -0.117 0.000 2.091 73 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 73 R C 2.340 178.705 176.300 0.108 0.000 1.136 73 R CA 1.692 57.830 56.100 0.065 0.000 0.959 73 R CB -0.514 29.932 30.300 0.244 0.000 0.856 73 R HN 0.211 nan 8.270 nan 0.000 0.437 74 S N 1.244 116.996 115.700 0.086 0.000 2.368 74 S HA -0.111 4.358 4.470 -0.000 0.000 0.225 74 S C 1.861 176.516 174.600 0.092 0.000 1.030 74 S CA 0.853 59.159 58.200 0.177 0.000 0.999 74 S CB -0.215 63.171 63.200 0.310 0.000 0.844 74 S HN 0.286 nan 8.310 nan 0.000 0.459 75 L N 0.473 121.525 121.223 -0.284 0.000 1.994 75 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 75 L C 2.089 178.926 176.870 -0.055 0.000 1.071 75 L CA 1.731 56.252 54.840 -0.532 0.000 0.745 75 L CB -0.449 41.129 42.059 -0.802 0.000 0.892 75 L HN 0.235 nan 8.230 nan 0.000 0.431 76 F N 0.323 120.095 119.950 -0.297 0.000 2.154 76 F HA -0.276 4.251 4.527 0.001 0.000 0.301 76 F C 2.856 178.409 175.800 -0.410 0.000 1.087 76 F CA 1.026 58.726 58.000 -0.500 0.000 1.274 76 F CB -1.236 37.112 39.000 -1.085 0.000 1.009 76 F HN 0.284 nan 8.300 nan 0.000 0.485 77 Q N -0.185 119.642 119.800 0.045 0.000 2.050 77 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 77 Q C 2.424 178.541 176.000 0.195 0.000 0.980 77 Q CA 1.196 57.163 55.803 0.274 0.000 0.840 77 Q CB -0.785 28.161 28.738 0.347 0.000 0.898 77 Q HN 0.377 nan 8.270 nan 0.000 0.424 78 L N 0.364 121.699 121.223 0.186 0.000 2.079 78 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 78 L C 2.208 179.159 176.870 0.135 0.000 1.081 78 L CA 1.354 56.305 54.840 0.185 0.000 0.752 78 L CB -0.642 41.584 42.059 0.279 0.000 0.896 78 L HN -0.043 nan 8.230 nan 0.000 0.433 79 V N -0.336 119.637 119.914 0.098 0.000 2.261 79 V HA -0.369 3.751 4.120 -0.000 0.000 0.246 79 V C 2.566 178.701 176.094 0.068 0.000 1.047 79 V CA 2.085 64.425 62.300 0.067 0.000 1.015 79 V CB -0.808 31.029 31.823 0.022 0.000 0.642 79 V HN 0.676 nan 8.190 nan 0.000 0.446 80 Q N 0.254 120.095 119.800 0.069 0.000 2.045 80 Q HA -0.312 4.028 4.340 -0.000 0.000 0.206 80 Q C 2.182 178.248 176.000 0.110 0.000 0.991 80 Q CA 2.545 58.411 55.803 0.106 0.000 0.851 80 Q CB -0.258 28.590 28.738 0.182 0.000 0.911 80 Q HN 0.737 nan 8.270 nan 0.000 0.418 81 E N -0.654 119.617 120.200 0.119 0.000 2.171 81 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 81 E C 1.842 178.490 176.600 0.081 0.000 0.997 81 E CA 1.301 57.761 56.400 0.100 0.000 0.810 81 E CB -0.111 29.652 29.700 0.105 0.000 0.738 81 E HN 0.464 nan 8.360 nan 0.000 0.467 82 C N 0.142 119.489 119.300 0.079 0.000 2.576 82 C HA 0.232 4.692 4.460 -0.000 0.000 0.267 82 C C 1.617 176.636 174.990 0.048 0.000 1.364 82 C CA 0.316 59.371 59.018 0.063 0.000 1.723 82 C CB -1.123 26.657 27.740 0.066 0.000 1.778 82 C HN 0.687 nan 8.230 nan 0.000 0.572 83 G N 0.636 109.471 108.800 0.059 0.000 2.147 83 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 83 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 83 G C -0.196 174.737 174.900 0.054 0.000 1.005 83 G CA 0.004 45.139 45.100 0.057 0.000 0.713 83 G HN 0.527 nan 8.290 nan 0.000 0.515 84 L N 0.571 121.831 121.223 0.061 0.000 2.330 84 L HA 0.749 5.089 4.340 -0.000 0.000 0.271 84 L C 1.248 178.175 176.870 0.096 0.000 1.013 84 L CA -0.519 54.364 54.840 0.073 0.000 0.816 84 L CB 1.932 44.033 42.059 0.071 0.000 1.287 84 L HN 0.327 nan 8.230 nan 0.000 0.435 85 T N -0.481 114.160 114.554 0.145 0.000 2.852 85 T HA 0.670 5.019 4.350 -0.000 0.000 0.281 85 T C -0.635 174.126 174.700 0.102 0.000 0.993 85 T CA -0.722 61.454 62.100 0.127 0.000 0.933 85 T CB 1.694 70.677 68.868 0.192 0.000 1.187 85 T HN 0.399 nan 8.240 nan 0.000 0.559 86 L N 0.024 121.254 121.223 0.012 0.000 2.436 86 L HA 0.428 4.768 4.340 -0.000 0.000 0.268 86 L C -1.136 175.657 176.870 -0.127 0.000 0.974 86 L CA -0.610 54.185 54.840 -0.075 0.000 0.826 86 L CB 2.183 44.092 42.059 -0.249 0.000 1.291 86 L HN 0.720 nan 8.230 nan 0.000 0.406 87 Q N 4.186 123.906 119.800 -0.134 0.000 2.368 87 Q HA 0.681 5.021 4.340 -0.000 0.000 0.256 87 Q C -0.705 175.201 176.000 -0.156 0.000 0.980 87 Q CA -0.566 55.125 55.803 -0.185 0.000 0.887 87 Q CB 1.858 30.457 28.738 -0.232 0.000 1.221 87 Q HN 0.696 nan 8.270 nan 0.000 0.458 88 A N 4.191 126.896 122.820 -0.192 0.000 2.288 88 A HA 0.574 4.894 4.320 -0.000 0.000 0.320 88 A C -0.440 176.991 177.584 -0.255 0.000 1.217 88 A CA -0.632 51.296 52.037 -0.183 0.000 0.840 88 A CB 0.469 19.373 19.000 -0.161 0.000 1.179 88 A HN 0.771 nan 8.150 nan 0.000 0.504 89 I N 3.191 123.616 120.570 -0.241 0.000 2.365 89 I HA 0.186 4.355 4.170 -0.000 0.000 0.291 89 I C 0.074 175.964 176.117 -0.379 0.000 1.004 89 I CA -0.378 60.753 61.300 -0.281 0.000 1.311 89 I CB 1.417 39.266 38.000 -0.253 0.000 1.401 89 I HN 0.511 nan 8.210 nan 0.000 0.491 90 M N 5.151 124.509 119.600 -0.403 0.000 2.775 90 M HA 0.146 4.626 4.480 -0.000 0.000 0.313 90 M C -0.162 175.676 176.300 -0.771 0.000 1.429 90 M CA 0.196 55.151 55.300 -0.576 0.000 1.494 90 M CB -0.467 31.838 32.600 -0.492 0.000 1.274 90 M HN 0.406 nan 8.290 nan 0.000 0.491 91 S N 3.155 118.459 115.700 -0.660 0.000 2.485 91 S HA 0.295 4.765 4.470 -0.000 0.000 0.312 91 S C 0.365 174.720 174.600 -0.409 0.000 1.102 91 S CA -0.402 57.468 58.200 -0.549 0.000 1.066 91 S CB -0.380 62.202 63.200 -1.031 0.000 1.102 91 S HN 0.396 nan 8.310 nan 0.000 0.519 92 F N 3.387 123.372 119.950 0.059 0.000 2.701 92 F HA 0.180 4.707 4.527 -0.001 0.000 0.295 92 F C 1.514 177.643 175.800 0.548 0.000 1.165 92 F CA -0.473 57.627 58.000 0.166 0.000 1.399 92 F CB -0.275 38.460 39.000 -0.441 0.000 0.996 92 F HN 0.590 nan 8.300 nan 0.000 0.513 93 H N -1.520 117.905 119.070 0.591 0.000 2.869 93 H HA 0.434 4.990 4.556 0.000 0.000 0.342 93 H C -0.874 174.754 175.328 0.500 0.000 1.250 93 H CA -1.153 55.239 56.048 0.572 0.000 1.217 93 H CB 0.992 31.008 29.762 0.422 0.000 1.917 93 H HN 0.148 nan 8.280 nan 0.000 0.586 94 Q N 0.753 120.826 119.800 0.455 0.000 2.230 94 Q HA 0.387 4.727 4.340 -0.000 0.000 0.253 94 Q C -1.096 175.029 176.000 0.207 0.000 0.919 94 Q CA -0.703 55.231 55.803 0.219 0.000 0.908 94 Q CB 1.588 30.403 28.738 0.128 0.000 1.245 94 Q HN 0.596 nan 8.270 nan 0.000 0.437 95 C N 2.868 122.094 119.300 -0.123 0.000 2.319 95 C HA 0.845 5.305 4.460 -0.000 0.000 0.335 95 C C 1.031 175.949 174.990 -0.119 0.000 1.274 95 C CA 1.022 59.935 59.018 -0.175 0.000 1.806 95 C CB -0.064 27.245 27.740 -0.717 0.000 2.329 95 C HN 1.071 nan 8.230 nan 0.000 0.524 96 G N 3.673 112.462 108.800 -0.017 0.000 4.077 96 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.199 96 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.199 96 G C 0.981 175.889 174.900 0.012 0.000 1.302 96 G CA 0.332 45.419 45.100 -0.022 0.000 0.918 96 G HN 1.265 nan 8.290 nan 0.000 0.369 97 G N 0.960 109.776 108.800 0.027 0.000 3.181 97 G HA2 0.361 4.321 3.960 -0.000 0.000 0.219 97 G HA3 0.361 4.321 3.960 -0.000 0.000 0.219 97 G C 0.326 175.248 174.900 0.037 0.000 1.182 97 G CA 0.334 45.448 45.100 0.024 0.000 0.791 97 G HN 0.425 nan 8.290 nan 0.000 0.537 98 N N -0.551 118.182 118.700 0.054 0.000 2.457 98 N HA 0.247 4.987 4.740 -0.000 0.000 0.290 98 N C -0.528 175.029 175.510 0.079 0.000 1.232 98 N CA -0.638 52.451 53.050 0.065 0.000 0.852 98 N CB 2.292 40.812 38.487 0.054 0.000 1.313 98 N HN -0.144 nan 8.380 nan 0.000 0.522 99 V N 0.906 120.878 119.914 0.097 0.000 2.584 99 V HA 0.179 4.298 4.120 -0.000 0.000 0.303 99 V C 1.359 177.485 176.094 0.053 0.000 1.035 99 V CA 1.968 64.314 62.300 0.077 0.000 1.172 99 V CB -0.401 31.470 31.823 0.080 0.000 0.896 99 V HN 1.004 nan 8.190 nan 0.000 0.486 100 G N 4.758 113.580 108.800 0.037 0.000 2.225 100 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.254 100 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.254 100 G C -0.007 174.919 174.900 0.042 0.000 0.988 100 G CA 0.204 45.322 45.100 0.030 0.000 0.625 100 G HN 0.819 nan 8.290 nan 0.000 0.527 101 D N 1.452 121.883 120.400 0.051 0.000 2.380 101 D HA 0.246 4.886 4.640 -0.000 0.000 0.270 101 D C 2.067 178.378 176.300 0.018 0.000 1.363 101 D CA 0.370 54.398 54.000 0.046 0.000 1.057 101 D CB -0.169 40.660 40.800 0.049 0.000 1.096 101 D HN 0.636 nan 8.370 nan 0.000 0.524 102 I N -0.365 120.215 120.570 0.016 0.000 3.428 102 I HA 0.056 4.226 4.170 -0.000 0.000 0.286 102 I C 0.600 176.705 176.117 -0.020 0.000 1.287 102 I CA 0.034 61.335 61.300 0.002 0.000 1.396 102 I CB 0.116 38.123 38.000 0.012 0.000 1.062 102 I HN 0.030 nan 8.210 nan 0.000 0.471 103 V N 1.198 121.086 119.914 -0.043 0.000 2.823 103 V HA 0.494 4.613 4.120 -0.000 0.000 0.312 103 V C -1.322 174.691 176.094 -0.135 0.000 1.072 103 V CA -0.605 61.645 62.300 -0.084 0.000 0.937 103 V CB 2.232 33.999 31.823 -0.093 0.000 1.013 103 V HN 0.292 nan 8.190 nan 0.000 0.430 104 N N 4.095 122.713 118.700 -0.137 0.000 2.426 104 N HA 0.645 5.385 4.740 -0.000 0.000 0.257 104 N C -1.076 174.294 175.510 -0.232 0.000 1.002 104 N CA -0.289 52.667 53.050 -0.156 0.000 0.942 104 N CB 0.851 39.276 38.487 -0.105 0.000 1.112 104 N HN 0.694 nan 8.380 nan 0.000 0.499 105 I N 5.199 125.568 120.570 -0.335 0.000 2.476 105 I HA 0.384 4.553 4.170 -0.000 0.000 0.281 105 I C -2.246 173.703 176.117 -0.280 0.000 1.040 105 I CA -1.832 59.228 61.300 -0.401 0.000 1.094 105 I CB 1.940 39.455 38.000 -0.809 0.000 1.219 105 I HN 0.376 nan 8.210 nan 0.000 0.450 106 P HA 0.415 nan 4.420 nan 0.000 0.284 106 P C -0.138 177.068 177.300 -0.157 0.000 1.292 106 P CA -0.558 62.463 63.100 -0.133 0.000 0.800 106 P CB 0.940 32.572 31.700 -0.114 0.000 1.188 107 I N -3.300 117.174 120.570 -0.161 0.000 3.269 107 I HA 0.354 4.523 4.170 -0.000 0.000 0.287 107 I C -2.308 173.485 176.117 -0.541 0.000 1.152 107 I CA -2.524 58.539 61.300 -0.395 0.000 1.263 107 I CB -1.035 36.764 38.000 -0.335 0.000 1.439 107 I HN 0.059 nan 8.210 nan 0.000 0.637 108 P HA -0.039 nan 4.420 nan 0.000 0.264 108 P C -0.116 176.882 177.300 -0.504 0.000 1.183 108 P CA 0.270 62.922 63.100 -0.746 0.000 0.763 108 P CB 0.545 31.570 31.700 -1.123 0.000 0.807 109 Q N 4.018 123.685 119.800 -0.222 0.000 2.135 109 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 109 Q C 1.615 177.628 176.000 0.021 0.000 0.981 109 Q CA 1.974 57.736 55.803 -0.067 0.000 0.856 109 Q CB -0.574 28.179 28.738 0.025 0.000 0.902 109 Q HN 0.683 nan 8.270 nan 0.000 0.425 110 W N -1.493 119.806 121.300 -0.001 0.000 2.425 110 W HA -0.019 4.639 4.660 -0.002 0.000 0.277 110 W C 1.270 177.868 176.519 0.132 0.000 1.231 110 W CA 0.752 58.142 57.345 0.076 0.000 1.248 110 W CB -0.758 28.750 29.460 0.081 0.000 1.117 110 W HN -0.032 nan 8.180 nan 0.000 0.568 111 V N 1.860 121.493 119.914 -0.468 0.000 2.323 111 V HA -0.279 3.841 4.120 -0.000 0.000 0.244 111 V C 2.624 178.695 176.094 -0.039 0.000 1.041 111 V CA 1.384 63.471 62.300 -0.355 0.000 1.025 111 V CB -1.027 30.359 31.823 -0.727 0.000 0.656 111 V HN 0.012 nan 8.190 nan 0.000 0.451 112 L N 0.296 121.492 121.223 -0.046 0.000 2.089 112 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 112 L C 2.135 179.093 176.870 0.148 0.000 1.079 112 L CA 1.932 56.844 54.840 0.119 0.000 0.758 112 L CB -1.145 40.941 42.059 0.045 0.000 0.891 112 L HN 0.365 nan 8.230 nan 0.000 0.433 113 D N -0.909 119.561 120.400 0.118 0.000 2.144 113 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 113 D C 2.400 178.763 176.300 0.105 0.000 0.978 113 D CA 1.090 55.167 54.000 0.129 0.000 0.833 113 D CB 0.011 40.909 40.800 0.163 0.000 0.961 113 D HN 0.325 nan 8.370 nan 0.000 0.470 114 I N 0.803 121.434 120.570 0.102 0.000 2.315 114 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 114 I C 2.474 178.567 176.117 -0.039 0.000 1.117 114 I CA 1.194 62.500 61.300 0.010 0.000 1.404 114 I CB -0.281 37.705 38.000 -0.023 0.000 1.071 114 I HN 0.002 nan 8.210 nan 0.000 0.419 115 G N 0.055 108.865 108.800 0.017 0.000 2.470 115 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 115 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 115 G C 1.481 176.442 174.900 0.102 0.000 1.121 115 G CA 0.340 45.455 45.100 0.026 0.000 0.766 115 G HN 0.329 nan 8.290 nan 0.000 0.553 116 E N 0.683 120.941 120.200 0.096 0.000 2.268 116 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 116 E C 2.547 179.044 176.600 -0.173 0.000 0.995 116 E CA 1.307 57.734 56.400 0.045 0.000 0.836 116 E CB 0.022 29.770 29.700 0.080 0.000 0.763 116 E HN 0.626 nan 8.360 nan 0.000 0.491 117 S N -0.196 115.408 115.700 -0.161 0.000 2.540 117 S HA 0.066 4.536 4.470 -0.000 0.000 0.222 117 S C 0.496 174.947 174.600 -0.248 0.000 1.008 117 S CA -0.468 57.611 58.200 -0.203 0.000 0.939 117 S CB 0.289 63.430 63.200 -0.098 0.000 0.865 117 S HN -0.055 nan 8.310 nan 0.000 0.499 118 N N 0.987 119.538 118.700 -0.249 0.000 2.727 118 N HA 0.314 5.054 4.740 -0.000 0.000 0.252 118 N C -0.255 175.187 175.510 -0.114 0.000 1.283 118 N CA -0.300 52.654 53.050 -0.159 0.000 0.782 118 N CB 0.283 38.696 38.487 -0.122 0.000 1.199 118 N HN 0.324 nan 8.380 nan 0.000 0.520 119 H N 0.131 119.245 119.070 0.073 0.000 2.521 119 H HA 0.044 4.600 4.556 -0.001 0.000 0.286 119 H C 0.086 175.503 175.328 0.149 0.000 1.034 119 H CA 0.775 56.924 56.048 0.168 0.000 1.278 119 H CB 0.698 30.574 29.762 0.190 0.000 1.386 119 H HN 0.497 nan 8.280 nan 0.000 0.567 120 D N 0.949 121.481 120.400 0.219 0.000 2.325 120 D HA -0.015 4.625 4.640 -0.000 0.000 0.234 120 D C 1.562 177.997 176.300 0.225 0.000 1.122 120 D CA 0.307 54.459 54.000 0.254 0.000 0.850 120 D CB 0.211 41.131 40.800 0.200 0.000 0.921 120 D HN 0.657 nan 8.370 nan 0.000 0.513 121 I N -3.278 117.233 120.570 -0.099 0.000 3.578 121 I HA 0.108 4.278 4.170 -0.000 0.000 0.295 121 I C -0.101 175.798 176.117 -0.364 0.000 1.280 121 I CA 0.144 61.278 61.300 -0.277 0.000 1.347 121 I CB -0.103 37.689 38.000 -0.347 0.000 1.051 121 I HN -0.327 nan 8.210 nan 0.000 0.460 122 F N -0.052 119.987 119.950 0.148 0.000 2.483 122 F HA 0.515 5.042 4.527 -0.001 0.000 0.329 122 F C 0.003 175.899 175.800 0.160 0.000 1.064 122 F CA -1.211 56.856 58.000 0.111 0.000 0.986 122 F CB 0.142 39.243 39.000 0.167 0.000 1.218 122 F HN -0.258 nan 8.300 nan 0.000 0.484 123 Y N 0.667 121.234 120.300 0.445 0.000 2.712 123 Y HA 0.225 4.775 4.550 -0.000 0.000 0.333 123 Y C 0.629 176.739 175.900 0.349 0.000 1.225 123 Y CA 0.108 58.431 58.100 0.371 0.000 1.499 123 Y CB -0.097 38.565 38.460 0.337 0.000 1.288 123 Y HN 0.413 nan 8.280 nan 0.000 0.575 124 T N 5.020 119.888 114.554 0.524 0.000 2.881 124 T HA 0.281 4.631 4.350 -0.000 0.000 0.290 124 T C -0.333 174.610 174.700 0.405 0.000 1.000 124 T CA -1.212 61.126 62.100 0.397 0.000 0.978 124 T CB 0.880 69.965 68.868 0.362 0.000 0.997 124 T HN 0.615 nan 8.240 nan 0.000 0.443 125 N N 1.800 120.664 118.700 0.272 0.000 2.448 125 N HA 0.247 4.987 4.740 -0.000 0.000 0.274 125 N C 1.064 176.459 175.510 -0.192 0.000 1.239 125 N CA -0.975 52.170 53.050 0.159 0.000 0.982 125 N CB 0.710 39.257 38.487 0.099 0.000 1.199 125 N HN 0.525 nan 8.380 nan 0.000 0.576 126 R N -0.443 119.640 120.500 -0.694 0.000 2.152 126 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 126 R C 1.005 177.032 176.300 -0.455 0.000 1.117 126 R CA 1.303 56.732 56.100 -1.118 0.000 0.981 126 R CB -0.184 29.429 30.300 -1.144 0.000 0.870 126 R HN 0.655 nan 8.270 nan 0.000 0.451 127 S N -0.914 114.631 115.700 -0.258 0.000 2.522 127 S HA 0.084 4.553 4.470 -0.000 0.000 0.227 127 S C 1.134 175.698 174.600 -0.060 0.000 0.986 127 S CA 0.765 58.891 58.200 -0.125 0.000 0.929 127 S CB 0.644 63.805 63.200 -0.065 0.000 0.769 127 S HN 0.690 nan 8.310 nan 0.000 0.529 128 G N 1.428 110.207 108.800 -0.035 0.000 2.141 128 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.231 128 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.231 128 G C 0.078 175.011 174.900 0.054 0.000 0.984 128 G CA 0.108 45.226 45.100 0.031 0.000 0.660 128 G HN 0.448 nan 8.290 nan 0.000 0.525 129 T N 1.724 116.319 114.554 0.068 0.000 2.814 129 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 129 T C 0.546 175.321 174.700 0.124 0.000 0.956 129 T CA -0.095 62.053 62.100 0.079 0.000 1.123 129 T CB 0.952 69.881 68.868 0.103 0.000 0.902 129 T HN 0.257 nan 8.240 nan 0.000 0.528 130 R N 3.159 123.711 120.500 0.086 0.000 2.265 130 R HA 0.274 4.614 4.340 -0.000 0.000 0.314 130 R C 0.222 176.547 176.300 0.042 0.000 1.053 130 R CA -0.684 55.494 56.100 0.130 0.000 0.931 130 R CB -0.127 30.212 30.300 0.065 0.000 1.024 130 R HN 0.659 nan 8.270 nan 0.000 0.457 131 N N 1.571 120.352 118.700 0.136 0.000 2.425 131 N HA 0.107 4.846 4.740 -0.000 0.000 0.268 131 N C -0.067 175.419 175.510 -0.041 0.000 0.991 131 N CA -0.334 52.757 53.050 0.069 0.000 0.931 131 N CB 0.693 39.294 38.487 0.190 0.000 1.130 131 N HN 0.312 nan 8.380 nan 0.000 0.493 132 K N 1.889 122.123 120.400 -0.276 0.000 2.437 132 K HA -0.020 4.300 4.320 -0.000 0.000 0.198 132 K C 0.786 177.401 176.600 0.025 0.000 1.024 132 K CA 0.165 56.168 56.287 -0.472 0.000 1.148 132 K CB 0.225 32.378 32.500 -0.579 0.000 0.860 132 K HN 0.689 nan 8.250 nan 0.000 0.515 133 E N -0.250 120.044 120.200 0.156 0.000 2.502 133 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 133 E C -0.378 176.479 176.600 0.428 0.000 1.062 133 E CA 0.212 56.757 56.400 0.241 0.000 0.867 133 E CB 0.095 29.919 29.700 0.208 0.000 0.888 133 E HN 0.176 nan 8.360 nan 0.000 0.510 134 Y N -0.225 120.256 120.300 0.302 0.000 2.522 134 Y HA 0.256 4.806 4.550 -0.001 0.000 0.326 134 Y C -1.751 174.270 175.900 0.202 0.000 1.198 134 Y CA -1.297 56.985 58.100 0.303 0.000 1.112 134 Y CB 0.955 39.590 38.460 0.293 0.000 1.342 134 Y HN -0.107 nan 8.280 nan 0.000 0.460 135 L N 3.743 124.701 121.223 -0.442 0.000 2.371 135 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 135 L C 0.753 177.348 176.870 -0.459 0.000 1.124 135 L CA 0.224 54.859 54.840 -0.341 0.000 0.816 135 L CB 1.042 42.852 42.059 -0.414 0.000 1.129 135 L HN 0.795 nan 8.230 nan 0.000 0.448 136 T N 1.990 116.238 114.554 -0.509 0.000 2.928 136 T HA 0.113 4.463 4.350 -0.000 0.000 0.305 136 T C 1.598 176.119 174.700 -0.298 0.000 1.035 136 T CA -0.452 61.213 62.100 -0.726 0.000 1.145 136 T CB 0.518 69.167 68.868 -0.365 0.000 0.963 136 T HN 0.356 nan 8.240 nan 0.000 0.545 137 V N 5.235 125.032 119.914 -0.194 0.000 2.439 137 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 137 V C 2.747 178.841 176.094 0.000 0.000 1.074 137 V CA 2.370 64.621 62.300 -0.082 0.000 1.076 137 V CB -1.318 30.438 31.823 -0.112 0.000 0.664 137 V HN 1.081 nan 8.190 nan 0.000 0.461 138 G N 0.181 109.008 108.800 0.046 0.000 2.485 138 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.221 138 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.221 138 G C 1.338 176.169 174.900 -0.115 0.000 1.115 138 G CA 1.453 46.612 45.100 0.098 0.000 0.751 138 G HN 0.791 nan 8.290 nan 0.000 0.567 139 V N -2.761 117.037 119.914 -0.193 0.000 3.376 139 V HA 0.263 4.383 4.120 -0.000 0.000 0.313 139 V C 1.296 177.319 176.094 -0.118 0.000 1.393 139 V CA 0.335 62.475 62.300 -0.267 0.000 1.125 139 V CB 0.371 32.028 31.823 -0.278 0.000 1.037 139 V HN -0.049 nan 8.190 nan 0.000 0.440 140 D N 2.515 122.875 120.400 -0.067 0.000 2.172 140 D HA -0.166 4.473 4.640 -0.000 0.000 0.196 140 D C 1.292 177.549 176.300 -0.072 0.000 0.999 140 D CA 1.913 55.884 54.000 -0.048 0.000 0.856 140 D CB -0.058 40.781 40.800 0.064 0.000 0.934 140 D HN 0.609 nan 8.370 nan 0.000 0.453 141 N N 0.505 119.179 118.700 -0.044 0.000 2.299 141 N HA 0.025 4.765 4.740 -0.000 0.000 0.246 141 N C -0.608 174.887 175.510 -0.026 0.000 1.254 141 N CA -0.053 52.980 53.050 -0.027 0.000 0.879 141 N CB 1.317 39.804 38.487 -0.000 0.000 1.214 141 N HN 0.114 nan 8.380 nan 0.000 0.510 142 E N 1.712 121.878 120.200 -0.057 0.000 2.174 142 E HA 0.236 4.586 4.350 -0.000 0.000 0.282 142 E C -2.188 174.386 176.600 -0.043 0.000 0.992 142 E CA -1.671 54.681 56.400 -0.079 0.000 0.803 142 E CB 1.954 31.513 29.700 -0.235 0.000 1.090 142 E HN 0.034 nan 8.360 nan 0.000 0.396 143 P HA 0.159 nan 4.420 nan 0.000 0.212 143 P C 0.638 177.894 177.300 -0.073 0.000 1.816 143 P CA 0.130 63.224 63.100 -0.011 0.000 0.944 143 P CB -0.700 31.000 31.700 0.001 0.000 1.896 144 I N -5.232 115.213 120.570 -0.209 0.000 4.018 144 I HA 0.337 4.507 4.170 -0.000 0.000 0.337 144 I C -0.289 175.480 176.117 -0.581 0.000 1.327 144 I CA -0.321 60.737 61.300 -0.403 0.000 1.100 144 I CB -0.228 37.444 38.000 -0.546 0.000 1.025 144 I HN -0.264 nan 8.210 nan 0.000 0.396 145 F N 3.567 123.480 119.950 -0.060 0.000 2.344 145 F HA 0.462 4.989 4.527 -0.001 0.000 0.344 145 F C 0.355 176.201 175.800 0.077 0.000 1.140 145 F CA -0.712 57.295 58.000 0.011 0.000 1.256 145 F CB -0.499 38.592 39.000 0.152 0.000 1.573 145 F HN 0.143 nan 8.300 nan 0.000 0.547 146 H N 1.010 120.173 119.070 0.155 0.000 2.692 146 H HA -0.193 4.363 4.556 -0.000 0.000 0.316 146 H C 1.510 176.870 175.328 0.054 0.000 1.176 146 H CA 0.791 56.883 56.048 0.074 0.000 1.142 146 H CB -1.176 28.604 29.762 0.029 0.000 1.475 146 H HN 0.942 nan 8.280 nan 0.000 0.423 147 G N -0.602 108.251 108.800 0.089 0.000 2.241 147 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 147 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 147 G C 0.511 175.465 174.900 0.090 0.000 0.998 147 G CA 0.423 45.567 45.100 0.074 0.000 0.621 147 G HN 0.564 nan 8.290 nan 0.000 0.519 148 R N 0.878 121.469 120.500 0.152 0.000 2.643 148 R HA 0.628 4.968 4.340 -0.000 0.000 0.272 148 R C 0.757 177.165 176.300 0.180 0.000 0.995 148 R CA 0.086 56.270 56.100 0.141 0.000 1.032 148 R CB 1.056 31.452 30.300 0.160 0.000 1.126 148 R HN 0.355 nan 8.270 nan 0.000 0.505 149 T N -2.022 112.579 114.554 0.079 0.000 2.881 149 T HA 0.337 4.686 4.350 -0.000 0.000 0.278 149 T C 1.236 175.859 174.700 -0.128 0.000 0.982 149 T CA -0.360 61.772 62.100 0.052 0.000 0.989 149 T CB 1.577 70.427 68.868 -0.030 0.000 1.058 149 T HN 0.592 nan 8.240 nan 0.000 0.529 150 A N 0.530 123.168 122.820 -0.302 0.000 1.930 150 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 150 A C 2.294 179.245 177.584 -1.055 0.000 1.175 150 A CA 1.011 52.522 52.037 -0.877 0.000 0.627 150 A CB -1.035 17.445 19.000 -0.867 0.000 0.815 150 A HN 0.870 nan 8.150 nan 0.000 0.443 151 I N -0.367 119.858 120.570 -0.574 0.000 2.361 151 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 151 I C 2.377 178.301 176.117 -0.321 0.000 1.133 151 I CA 1.466 62.520 61.300 -0.410 0.000 1.413 151 I CB -0.420 37.484 38.000 -0.160 0.000 1.073 151 I HN 0.447 nan 8.210 nan 0.000 0.424 152 E N 0.931 120.987 120.200 -0.240 0.000 2.110 152 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 152 E C 2.267 178.789 176.600 -0.129 0.000 0.988 152 E CA 1.159 57.486 56.400 -0.123 0.000 0.804 152 E CB -0.048 29.628 29.700 -0.041 0.000 0.745 152 E HN 0.491 nan 8.360 nan 0.000 0.458 153 I N 0.396 120.796 120.570 -0.283 0.000 2.226 153 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 153 I C 1.920 177.916 176.117 -0.201 0.000 1.100 153 I CA 1.056 62.237 61.300 -0.197 0.000 1.374 153 I CB -0.201 37.567 38.000 -0.387 0.000 1.057 153 I HN 0.137 nan 8.210 nan 0.000 0.413 154 Y N -0.140 119.844 120.300 -0.525 0.000 2.200 154 Y HA -0.184 4.365 4.550 -0.001 0.000 0.290 154 Y C 2.976 178.805 175.900 -0.118 0.000 1.137 154 Y CA 1.022 58.685 58.100 -0.728 0.000 1.163 154 Y CB -1.353 36.439 38.460 -1.113 0.000 0.988 154 Y HN 0.110 nan 8.280 nan 0.000 0.518 155 S N -0.104 115.624 115.700 0.047 0.000 2.368 155 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 155 S C 1.755 176.434 174.600 0.132 0.000 1.030 155 S CA 1.632 59.884 58.200 0.087 0.000 0.999 155 S CB -0.370 62.845 63.200 0.026 0.000 0.844 155 S HN 0.388 nan 8.310 nan 0.000 0.459 156 D N -0.215 120.282 120.400 0.162 0.000 2.104 156 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 156 D C 1.599 178.057 176.300 0.264 0.000 0.994 156 D CA 1.299 55.431 54.000 0.221 0.000 0.830 156 D CB -0.587 40.400 40.800 0.312 0.000 0.959 156 D HN 0.609 nan 8.370 nan 0.000 0.452 157 Y N 0.813 121.253 120.300 0.233 0.000 2.128 157 Y HA -0.210 4.339 4.550 -0.001 0.000 0.284 157 Y C 2.392 178.424 175.900 0.220 0.000 1.154 157 Y CA 1.638 59.895 58.100 0.261 0.000 1.149 157 Y CB -0.156 38.601 38.460 0.495 0.000 0.976 157 Y HN -0.097 nan 8.280 nan 0.000 0.505 158 M N -0.419 119.418 119.600 0.394 0.000 2.175 158 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 158 M C 2.100 178.332 176.300 -0.112 0.000 1.063 158 M CA 1.704 57.127 55.300 0.204 0.000 1.119 158 M CB -0.263 32.496 32.600 0.265 0.000 1.377 158 M HN 0.073 nan 8.290 nan 0.000 0.415 159 K N 0.058 120.399 120.400 -0.099 0.000 2.009 159 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 159 K C 2.259 178.756 176.600 -0.172 0.000 1.049 159 K CA 1.887 58.076 56.287 -0.163 0.000 0.929 159 K CB -0.391 32.072 32.500 -0.063 0.000 0.714 159 K HN 0.140 nan 8.250 nan 0.000 0.440 160 S N -0.082 115.531 115.700 -0.144 0.000 2.359 160 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 160 S C 1.794 176.144 174.600 -0.416 0.000 1.035 160 S CA 1.309 59.395 58.200 -0.190 0.000 1.018 160 S CB -0.408 62.575 63.200 -0.363 0.000 0.876 160 S HN 0.366 nan 8.310 nan 0.000 0.448 161 F N 2.848 122.416 119.950 -0.636 0.000 2.126 161 F HA -0.033 4.494 4.527 -0.001 0.000 0.299 161 F C 2.543 178.006 175.800 -0.563 0.000 1.096 161 F CA 1.928 59.328 58.000 -0.999 0.000 1.255 161 F CB -0.394 38.276 39.000 -0.550 0.000 0.997 161 F HN 0.122 nan 8.300 nan 0.000 0.479 162 R N 0.767 121.123 120.500 -0.240 0.000 2.075 162 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 162 R C 2.046 178.185 176.300 -0.267 0.000 1.126 162 R CA 2.068 58.029 56.100 -0.232 0.000 0.963 162 R CB -0.480 29.562 30.300 -0.430 0.000 0.858 162 R HN 0.418 nan 8.270 nan 0.000 0.435 163 E N 0.010 120.046 120.200 -0.274 0.000 2.072 163 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 163 E C 1.711 178.157 176.600 -0.257 0.000 0.985 163 E CA 0.971 57.247 56.400 -0.208 0.000 0.801 163 E CB -0.043 29.569 29.700 -0.147 0.000 0.750 163 E HN 0.412 nan 8.360 nan 0.000 0.452 164 N N -0.068 118.381 118.700 -0.418 0.000 2.512 164 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 164 N C 0.771 176.035 175.510 -0.411 0.000 1.073 164 N CA 0.733 53.522 53.050 -0.436 0.000 0.911 164 N CB 0.299 38.405 38.487 -0.636 0.000 0.964 164 N HN 0.180 nan 8.380 nan 0.000 0.447 165 M N -0.003 119.314 119.600 -0.473 0.000 2.496 165 M HA 0.144 4.624 4.480 -0.000 0.000 0.330 165 M C 1.467 177.699 176.300 -0.114 0.000 1.133 165 M CA 0.099 55.241 55.300 -0.264 0.000 0.964 165 M CB -0.177 32.063 32.600 -0.601 0.000 1.401 165 M HN -0.040 nan 8.290 nan 0.000 0.520 166 S N 1.210 116.820 115.700 -0.150 0.000 2.383 166 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 166 S C 1.407 175.965 174.600 -0.069 0.000 1.030 166 S CA 1.806 59.956 58.200 -0.083 0.000 1.002 166 S CB -0.575 62.572 63.200 -0.088 0.000 0.829 166 S HN 0.546 nan 8.310 nan 0.000 0.467 167 D N 1.935 122.244 120.400 -0.152 0.000 2.084 167 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 167 D C 1.589 177.802 176.300 -0.145 0.000 0.990 167 D CA 1.024 54.898 54.000 -0.210 0.000 0.826 167 D CB -1.056 39.519 40.800 -0.376 0.000 0.971 167 D HN 0.455 nan 8.370 nan 0.000 0.453 168 F N 0.759 120.707 119.950 -0.003 0.000 2.161 168 F HA -0.019 4.507 4.527 -0.001 0.000 0.300 168 F C 2.616 178.412 175.800 -0.008 0.000 1.089 168 F CA 0.623 58.629 58.000 0.010 0.000 1.282 168 F CB -0.745 38.284 39.000 0.049 0.000 1.010 168 F HN -0.059 nan 8.300 nan 0.000 0.485 169 L N -0.041 121.289 121.223 0.179 0.000 2.056 169 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 169 L C 2.606 179.524 176.870 0.080 0.000 1.078 169 L CA 1.758 56.670 54.840 0.120 0.000 0.749 169 L CB -0.728 41.405 42.059 0.124 0.000 0.901 169 L HN 0.242 nan 8.230 nan 0.000 0.433 170 E N -0.076 120.153 120.200 0.049 0.000 2.274 170 E HA -0.177 4.172 4.350 -0.000 0.000 0.194 170 E C 1.909 178.528 176.600 0.031 0.000 0.996 170 E CA 1.213 57.630 56.400 0.029 0.000 0.840 170 E CB -0.062 29.641 29.700 0.005 0.000 0.772 170 E HN 0.440 nan 8.360 nan 0.000 0.491 171 S N -0.183 115.545 115.700 0.046 0.000 2.603 171 S HA 0.184 4.654 4.470 -0.000 0.000 0.220 171 S C 1.550 176.190 174.600 0.067 0.000 0.967 171 S CA 0.475 58.708 58.200 0.055 0.000 0.920 171 S CB -0.129 63.112 63.200 0.070 0.000 0.773 171 S HN 0.573 nan 8.310 nan 0.000 0.529 172 G N 0.724 109.564 108.800 0.066 0.000 2.147 172 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 172 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 172 G C 0.393 175.329 174.900 0.059 0.000 1.005 172 G CA 0.432 45.565 45.100 0.056 0.000 0.713 172 G HN 0.671 nan 8.290 nan 0.000 0.515 173 L N 0.141 121.408 121.223 0.073 0.000 2.044 173 L HA 0.403 4.743 4.340 -0.000 0.000 0.205 173 L C 1.552 178.403 176.870 -0.032 0.000 1.075 173 L CA 1.357 56.216 54.840 0.033 0.000 0.747 173 L CB -0.009 42.075 42.059 0.042 0.000 0.903 173 L HN 0.372 nan 8.230 nan 0.000 0.435 174 I N 1.154 121.697 120.570 -0.044 0.000 2.337 174 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 174 I C 1.271 177.366 176.117 -0.038 0.000 1.046 174 I CA 0.006 61.254 61.300 -0.087 0.000 1.324 174 I CB 1.008 38.957 38.000 -0.084 0.000 1.409 174 I HN 0.264 nan 8.210 nan 0.000 0.494 175 I N 1.929 122.473 120.570 -0.042 0.000 3.081 175 I HA 0.249 4.419 4.170 -0.000 0.000 0.274 175 I C -0.081 176.014 176.117 -0.036 0.000 1.178 175 I CA 0.257 61.556 61.300 -0.001 0.000 1.460 175 I CB 0.204 38.242 38.000 0.064 0.000 1.137 175 I HN 0.577 nan 8.210 nan 0.000 0.443 176 D N 0.629 120.962 120.400 -0.111 0.000 2.753 176 D HA 0.448 5.088 4.640 -0.000 0.000 0.224 176 D C -0.946 175.221 176.300 -0.221 0.000 1.213 176 D CA -0.576 53.342 54.000 -0.137 0.000 0.833 176 D CB 1.845 42.598 40.800 -0.078 0.000 1.607 176 D HN -0.042 nan 8.370 nan 0.000 0.463 177 I N 1.615 122.009 120.570 -0.293 0.000 2.330 177 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 177 I C -0.125 175.821 176.117 -0.285 0.000 1.001 177 I CA -0.615 60.446 61.300 -0.398 0.000 1.193 177 I CB 1.185 38.742 38.000 -0.738 0.000 1.345 177 I HN 0.471 nan 8.210 nan 0.000 0.461 178 E N 6.101 126.155 120.200 -0.243 0.000 2.115 178 E HA 0.290 4.640 4.350 -0.000 0.000 0.282 178 E C -0.610 175.884 176.600 -0.175 0.000 0.987 178 E CA -0.583 55.710 56.400 -0.178 0.000 0.797 178 E CB 2.490 32.102 29.700 -0.148 0.000 1.086 178 E HN 0.230 nan 8.360 nan 0.000 0.397 179 V N 2.764 122.597 119.914 -0.134 0.000 2.408 179 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 179 V C 0.941 176.995 176.094 -0.067 0.000 1.047 179 V CA -0.569 61.678 62.300 -0.088 0.000 0.937 179 V CB 1.062 32.845 31.823 -0.066 0.000 0.999 179 V HN 0.727 nan 8.190 nan 0.000 0.472 180 G N 4.314 113.087 108.800 -0.045 0.000 2.365 180 G HA2 0.411 4.371 3.960 -0.000 0.000 0.249 180 G HA3 0.411 4.371 3.960 -0.000 0.000 0.249 180 G C 0.232 175.163 174.900 0.051 0.000 1.288 180 G CA -0.231 44.875 45.100 0.010 0.000 0.887 180 G HN 0.753 nan 8.290 nan 0.000 0.524 181 L N 2.078 123.267 121.223 -0.056 0.000 3.259 181 L HA 0.420 4.760 4.340 -0.000 0.000 0.292 181 L C 1.069 177.758 176.870 -0.303 0.000 1.219 181 L CA 0.259 55.068 54.840 -0.052 0.000 1.035 181 L CB 0.313 42.338 42.059 -0.058 0.000 1.424 181 L HN 0.820 nan 8.230 nan 0.000 0.603 182 G N -0.659 107.734 108.800 -0.678 0.000 2.341 182 G HA2 0.270 4.229 3.960 -0.000 0.000 0.299 182 G HA3 0.270 4.229 3.960 -0.000 0.000 0.299 182 G C -3.162 171.306 174.900 -0.719 0.000 1.274 182 G CA -0.664 43.745 45.100 -1.152 0.000 0.853 182 G HN -0.358 nan 8.290 nan 0.000 0.493 183 P HA 0.343 nan 4.420 nan 0.000 0.267 183 P C 0.797 177.869 177.300 -0.380 0.000 1.201 183 P CA 1.680 64.644 63.100 -0.226 0.000 0.775 183 P CB 0.986 32.580 31.700 -0.177 0.000 0.854 184 A N 2.264 124.861 122.820 -0.372 0.000 2.799 184 A HA -0.157 4.163 4.320 -0.000 0.000 0.274 184 A C 1.540 178.647 177.584 -0.796 0.000 1.393 184 A CA 1.938 53.723 52.037 -0.420 0.000 0.909 184 A CB -2.527 16.379 19.000 -0.157 0.000 1.012 184 A HN 1.165 nan 8.150 nan 0.000 0.653 185 G N -2.138 105.833 108.800 -1.382 0.000 2.168 185 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.263 185 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.263 185 G C -0.130 174.583 174.900 -0.312 0.000 0.977 185 G CA 1.114 45.819 45.100 -0.659 0.000 0.659 185 G HN 1.154 nan 8.290 nan 0.000 0.533 186 E N -0.820 119.203 120.200 -0.294 0.000 2.277 186 E HA 0.533 4.882 4.350 -0.000 0.000 0.274 186 E C 0.154 176.667 176.600 -0.146 0.000 1.022 186 E CA -1.061 55.250 56.400 -0.149 0.000 0.853 186 E CB 1.462 31.115 29.700 -0.078 0.000 1.086 186 E HN 0.180 nan 8.360 nan 0.000 0.397 187 L N 4.859 126.061 121.223 -0.036 0.000 2.536 187 L HA 0.140 4.480 4.340 -0.000 0.000 0.282 187 L C -0.384 176.454 176.870 -0.054 0.000 1.174 187 L CA 0.864 55.685 54.840 -0.031 0.000 0.989 187 L CB -0.909 41.185 42.059 0.058 0.000 1.311 187 L HN 0.551 nan 8.230 nan 0.000 0.455 188 R N 2.197 122.512 120.500 -0.309 0.000 2.774 188 R HA 0.351 4.690 4.340 -0.000 0.000 0.279 188 R C -1.607 174.340 176.300 -0.589 0.000 1.022 188 R CA -1.018 54.789 56.100 -0.488 0.000 0.855 188 R CB 0.353 30.447 30.300 -0.344 0.000 1.279 188 R HN 0.152 nan 8.270 nan 0.000 0.485 189 Y N 0.495 120.494 120.300 -0.502 0.000 2.354 189 Y HA 0.394 4.943 4.550 -0.000 0.000 0.322 189 Y C -1.654 173.966 175.900 -0.468 0.000 1.253 189 Y CA -2.268 55.468 58.100 -0.607 0.000 1.272 189 Y CB 1.182 39.330 38.460 -0.519 0.000 1.255 189 Y HN 0.406 nan 8.280 nan 0.000 0.500 190 P HA 0.038 nan 4.420 nan 0.000 0.225 190 P C 0.079 177.269 177.300 -0.183 0.000 1.813 190 P CA 0.040 62.980 63.100 -0.266 0.000 1.013 190 P CB -0.094 31.549 31.700 -0.096 0.000 1.961 191 S N 0.250 115.853 115.700 -0.162 0.000 2.562 191 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 191 S C 0.621 175.244 174.600 0.039 0.000 0.975 191 S CA 0.009 58.226 58.200 0.029 0.000 0.918 191 S CB -0.949 62.292 63.200 0.068 0.000 0.772 191 S HN 0.396 nan 8.310 nan 0.000 0.531 192 Y N -0.128 119.960 120.300 -0.353 0.000 2.470 192 Y HA 0.642 5.192 4.550 -0.000 0.000 0.352 192 Y C -3.321 172.217 175.900 -0.604 0.000 0.967 192 Y CA -3.932 53.608 58.100 -0.933 0.000 1.121 192 Y CB -0.171 37.235 38.460 -1.756 0.000 1.149 192 Y HN -0.017 nan 8.280 nan 0.000 0.641 193 P HA 0.169 nan 4.420 nan 0.000 0.286 193 P C 0.359 177.635 177.300 -0.040 0.000 1.321 193 P CA 0.045 63.016 63.100 -0.217 0.000 0.790 193 P CB 1.759 33.320 31.700 -0.232 0.000 0.897 194 Q N 2.068 121.935 119.800 0.112 0.000 2.152 194 Q HA -0.180 4.159 4.340 -0.000 0.000 0.206 194 Q C 1.845 177.877 176.000 0.053 0.000 0.985 194 Q CA 2.316 58.227 55.803 0.179 0.000 0.863 194 Q CB -0.263 28.573 28.738 0.163 0.000 0.904 194 Q HN 0.579 nan 8.270 nan 0.000 0.422 195 S N -0.470 115.233 115.700 0.004 0.000 2.537 195 S HA -0.143 4.327 4.470 -0.000 0.000 0.240 195 S C 1.286 175.868 174.600 -0.030 0.000 0.981 195 S CA 0.840 59.033 58.200 -0.011 0.000 0.948 195 S CB 0.092 63.282 63.200 -0.017 0.000 0.759 195 S HN 0.363 nan 8.310 nan 0.000 0.531 196 Q N -0.175 119.579 119.800 -0.076 0.000 2.159 196 Q HA 0.370 4.710 4.340 -0.000 0.000 0.217 196 Q C 0.930 176.886 176.000 -0.073 0.000 0.818 196 Q CA 0.190 55.933 55.803 -0.101 0.000 1.008 196 Q CB 0.955 29.554 28.738 -0.232 0.000 1.148 196 Q HN 0.709 nan 8.270 nan 0.000 0.491 197 G N 0.932 109.718 108.800 -0.023 0.000 2.176 197 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 197 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 197 G C -0.345 174.586 174.900 0.052 0.000 0.986 197 G CA -0.146 44.967 45.100 0.021 0.000 0.643 197 G HN 0.450 nan 8.290 nan 0.000 0.522 198 W N 2.090 123.293 121.300 -0.162 0.000 2.181 198 W HA 0.587 5.246 4.660 -0.001 0.000 0.335 198 W C 0.310 176.843 176.519 0.023 0.000 1.310 198 W CA 0.161 57.476 57.345 -0.051 0.000 1.226 198 W CB 0.495 29.908 29.460 -0.079 0.000 1.155 198 W HN 0.250 nan 8.180 nan 0.000 0.565 199 E N 5.424 124.994 120.200 -1.051 0.000 2.299 199 E HA 0.126 4.476 4.350 -0.000 0.000 0.265 199 E C 0.359 175.875 176.600 -1.807 0.000 0.911 199 E CA -1.014 54.730 56.400 -1.093 0.000 0.789 199 E CB 1.473 30.888 29.700 -0.474 0.000 1.246 199 E HN 0.434 nan 8.360 nan 0.000 0.427 200 F N 4.298 123.454 119.950 -1.324 0.000 2.123 200 F HA -0.159 4.368 4.527 -0.000 0.000 0.302 200 F C -1.186 174.084 175.800 -0.884 0.000 1.251 200 F CA 1.384 58.713 58.000 -1.118 0.000 1.236 200 F CB -1.492 37.136 39.000 -0.619 0.000 0.927 200 F HN 0.373 nan 8.300 nan 0.000 0.554 201 P HA -0.044 nan 4.420 nan 0.000 0.299 201 P C -0.593 176.580 177.300 -0.211 0.000 1.515 201 P CA 0.553 62.847 63.100 -1.344 0.000 0.770 201 P CB -0.520 30.580 31.700 -1.000 0.000 1.614 202 R N 0.487 120.957 120.500 -0.050 0.000 2.349 202 R HA 0.252 4.592 4.340 -0.000 0.000 0.299 202 R C 1.799 178.636 176.300 0.895 0.000 1.027 202 R CA -0.919 55.376 56.100 0.325 0.000 0.958 202 R CB -0.274 29.909 30.300 -0.196 0.000 1.047 202 R HN 0.126 nan 8.270 nan 0.000 0.468 203 I N -0.367 120.515 120.570 0.520 0.000 2.335 203 I HA 0.044 4.214 4.170 -0.000 0.000 0.251 203 I C 0.968 177.224 176.117 0.232 0.000 1.129 203 I CA 1.055 62.495 61.300 0.234 0.000 1.402 203 I CB -0.449 37.386 38.000 -0.276 0.000 1.069 203 I HN 0.642 nan 8.210 nan 0.000 0.424 204 G N 1.057 110.109 108.800 0.419 0.000 2.795 204 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.664 204 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.664 204 G C -0.783 174.133 174.900 0.027 0.000 1.381 204 G CA -0.244 45.075 45.100 0.365 0.000 0.853 204 G HN 0.612 nan 8.290 nan 0.000 0.545 205 E N -0.899 119.290 120.200 -0.019 0.000 2.312 205 E HA 0.585 4.935 4.350 -0.000 0.000 0.267 205 E C -0.506 175.960 176.600 -0.224 0.000 0.894 205 E CA -0.910 55.314 56.400 -0.293 0.000 0.773 205 E CB 1.364 30.776 29.700 -0.480 0.000 1.241 205 E HN 0.307 nan 8.360 nan 0.000 0.432 206 F N 1.466 121.386 119.950 -0.050 0.000 2.553 206 F HA -0.005 4.522 4.527 -0.000 0.000 0.356 206 F C 1.234 177.074 175.800 0.066 0.000 1.142 206 F CA 0.287 58.214 58.000 -0.122 0.000 1.322 206 F CB 0.424 39.214 39.000 -0.351 0.000 1.126 206 F HN 0.211 nan 8.300 nan 0.000 0.599 207 Q N 2.530 122.486 119.800 0.260 0.000 2.656 207 Q HA 0.215 4.555 4.340 -0.000 0.000 0.389 207 Q C -0.219 175.959 176.000 0.296 0.000 0.883 207 Q CA 0.037 56.008 55.803 0.280 0.000 1.056 207 Q CB 0.751 29.577 28.738 0.146 0.000 1.391 207 Q HN 0.804 nan 8.270 nan 0.000 0.399 208 C N -2.396 116.998 119.300 0.156 0.000 2.742 208 C HA 0.413 4.873 4.460 -0.000 0.000 0.283 208 C C 0.988 175.960 174.990 -0.031 0.000 1.451 208 C CA -0.604 58.495 59.018 0.135 0.000 1.785 208 C CB -1.648 26.202 27.740 0.184 0.000 2.664 208 C HN 0.390 nan 8.230 nan 0.000 0.544 209 Y N 2.443 122.884 120.300 0.235 0.000 2.511 209 Y HA 0.115 4.665 4.550 -0.000 0.000 0.279 209 Y C 1.228 177.247 175.900 0.199 0.000 1.157 209 Y CA 0.057 58.258 58.100 0.169 0.000 1.300 209 Y CB -0.401 38.117 38.460 0.097 0.000 1.052 209 Y HN 0.515 nan 8.280 nan 0.000 0.529 210 D N 0.482 121.101 120.400 0.366 0.000 2.390 210 D HA -0.084 4.556 4.640 -0.000 0.000 0.236 210 D C 1.471 177.914 176.300 0.238 0.000 1.189 210 D CA -0.219 53.971 54.000 0.317 0.000 0.887 210 D CB 0.730 41.750 40.800 0.368 0.000 1.198 210 D HN 0.057 nan 8.370 nan 0.000 0.444 211 K N 0.952 121.421 120.400 0.116 0.000 2.218 211 K HA -0.263 4.057 4.320 -0.000 0.000 0.205 211 K C 0.923 177.481 176.600 -0.069 0.000 1.046 211 K CA 1.319 57.574 56.287 -0.053 0.000 0.933 211 K CB -0.347 32.007 32.500 -0.244 0.000 0.728 211 K HN 0.707 nan 8.250 nan 0.000 0.454 212 Y N 0.830 121.225 120.300 0.159 0.000 2.347 212 Y HA 0.071 4.620 4.550 -0.000 0.000 0.294 212 Y C 2.318 178.358 175.900 0.235 0.000 1.117 212 Y CA 0.447 58.644 58.100 0.160 0.000 1.184 212 Y CB -0.088 38.447 38.460 0.125 0.000 1.047 212 Y HN -0.132 nan 8.280 nan 0.000 0.546 213 L N 0.325 121.817 121.223 0.449 0.000 2.046 213 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 213 L C 2.539 179.716 176.870 0.513 0.000 1.077 213 L CA 1.617 56.771 54.840 0.524 0.000 0.747 213 L CB -0.466 41.906 42.059 0.522 0.000 0.896 213 L HN 0.189 nan 8.230 nan 0.000 0.432 214 K N 0.443 121.035 120.400 0.320 0.000 2.063 214 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 214 K C 2.047 178.779 176.600 0.220 0.000 1.048 214 K CA 1.596 58.015 56.287 0.220 0.000 0.928 214 K CB -0.064 32.526 32.500 0.149 0.000 0.713 214 K HN 0.283 nan 8.250 nan 0.000 0.442 215 A N 0.960 123.892 122.820 0.187 0.000 1.930 215 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 215 A C 1.774 179.464 177.584 0.177 0.000 1.175 215 A CA 1.909 54.029 52.037 0.138 0.000 0.627 215 A CB -0.592 18.465 19.000 0.096 0.000 0.815 215 A HN 0.555 nan 8.150 nan 0.000 0.443 216 D N -1.217 119.360 120.400 0.296 0.000 2.097 216 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 216 D C 1.621 178.093 176.300 0.286 0.000 0.989 216 D CA 1.541 55.757 54.000 0.360 0.000 0.827 216 D CB -0.260 40.872 40.800 0.552 0.000 0.966 216 D HN 0.371 nan 8.370 nan 0.000 0.456 217 F N 1.047 121.001 119.950 0.006 0.000 2.134 217 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 217 F C 1.942 177.597 175.800 -0.241 0.000 1.097 217 F CA 1.135 58.790 58.000 -0.574 0.000 1.264 217 F CB -0.100 38.285 39.000 -1.025 0.000 1.001 217 F HN -0.191 nan 8.300 nan 0.000 0.479 218 K N 0.877 121.171 120.400 -0.176 0.000 2.063 218 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 218 K C 2.339 178.810 176.600 -0.215 0.000 1.048 218 K CA 1.368 57.522 56.287 -0.222 0.000 0.928 218 K CB -1.282 31.199 32.500 -0.032 0.000 0.713 218 K HN 0.393 nan 8.250 nan 0.000 0.442 219 A N 1.021 123.784 122.820 -0.095 0.000 1.930 219 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 219 A C 2.371 179.913 177.584 -0.071 0.000 1.175 219 A CA 1.893 53.897 52.037 -0.055 0.000 0.627 219 A CB -0.514 18.501 19.000 0.026 0.000 0.815 219 A HN 0.286 nan 8.150 nan 0.000 0.443 220 A N 0.095 122.875 122.820 -0.066 0.000 1.898 220 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 220 A C 2.339 179.884 177.584 -0.065 0.000 1.181 220 A CA 2.144 54.208 52.037 0.044 0.000 0.620 220 A CB -1.258 17.850 19.000 0.179 0.000 0.819 220 A HN 1.123 nan 8.150 nan 0.000 0.442 221 V N -2.133 117.553 119.914 -0.380 0.000 2.343 221 V HA -0.097 4.022 4.120 -0.000 0.000 0.247 221 V C 2.554 178.391 176.094 -0.427 0.000 1.051 221 V CA 1.877 63.847 62.300 -0.550 0.000 1.036 221 V CB -1.641 29.828 31.823 -0.590 0.000 0.654 221 V HN 0.514 nan 8.190 nan 0.000 0.451 222 A N 0.948 123.583 122.820 -0.309 0.000 1.908 222 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 222 A C 2.416 179.876 177.584 -0.206 0.000 1.181 222 A CA 2.119 54.009 52.037 -0.245 0.000 0.627 222 A CB -0.612 18.287 19.000 -0.168 0.000 0.818 222 A HN 0.623 nan 8.150 nan 0.000 0.445 223 R N -0.703 119.715 120.500 -0.137 0.000 2.189 223 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 223 R C 2.161 178.404 176.300 -0.095 0.000 1.074 223 R CA 0.880 56.932 56.100 -0.079 0.000 0.991 223 R CB -0.321 29.977 30.300 -0.002 0.000 0.883 223 R HN 0.492 nan 8.270 nan 0.000 0.457 224 A N 0.234 122.962 122.820 -0.154 0.000 2.167 224 A HA 0.163 4.483 4.320 -0.000 0.000 0.214 224 A C 1.492 178.906 177.584 -0.284 0.000 1.151 224 A CA 1.052 52.989 52.037 -0.167 0.000 0.735 224 A CB -0.003 18.781 19.000 -0.360 0.000 0.802 224 A HN 0.448 nan 8.150 nan 0.000 0.467 225 G N -1.987 106.577 108.800 -0.393 0.000 2.168 225 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.197 225 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.197 225 G C -0.031 174.302 174.900 -0.944 0.000 0.997 225 G CA 0.155 44.914 45.100 -0.569 0.000 0.658 225 G HN 0.660 nan 8.290 nan 0.000 0.513 226 H N -0.080 118.528 119.070 -0.769 0.000 2.511 226 H HA 0.209 4.765 4.556 -0.000 0.000 0.228 226 H C -1.981 172.914 175.328 -0.721 0.000 1.424 226 H CA -0.727 54.724 56.048 -0.995 0.000 1.321 226 H CB 1.586 30.016 29.762 -2.219 0.000 1.720 226 H HN 0.173 nan 8.280 nan 0.000 0.512 227 P HA -0.201 nan 4.420 nan 0.000 0.222 227 P C 1.531 178.735 177.300 -0.160 0.000 1.142 227 P CA 1.202 64.155 63.100 -0.244 0.000 0.788 227 P CB 0.393 31.981 31.700 -0.187 0.000 0.767 228 E N -1.518 118.592 120.200 -0.150 0.000 2.299 228 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 228 E C 0.366 177.030 176.600 0.106 0.000 0.998 228 E CA 0.135 56.519 56.400 -0.027 0.000 0.851 228 E CB -0.761 28.935 29.700 -0.006 0.000 0.795 228 E HN 0.138 nan 8.360 nan 0.000 0.492 229 W N 2.160 123.428 121.300 -0.053 0.000 2.209 229 W HA 0.228 4.888 4.660 -0.000 0.000 0.344 229 W C 0.759 177.308 176.519 0.050 0.000 1.285 229 W CA -0.221 57.100 57.345 -0.040 0.000 1.267 229 W CB 0.098 29.496 29.460 -0.103 0.000 1.167 229 W HN 0.070 nan 8.180 nan 0.000 0.574 230 E N 0.472 120.874 120.200 0.336 0.000 2.393 230 E HA 0.479 4.829 4.350 -0.000 0.000 0.265 230 E C -0.996 175.639 176.600 0.058 0.000 0.941 230 E CA -0.827 55.724 56.400 0.253 0.000 0.801 230 E CB 1.136 30.895 29.700 0.098 0.000 1.313 230 E HN -0.007 nan 8.360 nan 0.000 0.435 231 L N 2.750 123.852 121.223 -0.203 0.000 2.452 231 L HA 0.327 4.666 4.340 -0.000 0.000 0.267 231 L C -1.950 174.586 176.870 -0.557 0.000 1.188 231 L CA -1.801 52.603 54.840 -0.727 0.000 0.821 231 L CB -0.454 41.203 42.059 -0.670 0.000 1.102 231 L HN 0.549 nan 8.230 nan 0.000 0.470 232 P HA 0.008 nan 4.420 nan 0.000 0.260 232 P C -0.294 176.856 177.300 -0.249 0.000 1.172 232 P CA 0.223 62.971 63.100 -0.587 0.000 0.760 232 P CB 0.296 31.420 31.700 -0.961 0.000 0.773 233 D N 0.961 121.266 120.400 -0.157 0.000 2.513 233 D HA -0.007 4.632 4.640 -0.000 0.000 0.222 233 D C -0.109 176.145 176.300 -0.077 0.000 1.210 233 D CA 0.006 53.946 54.000 -0.100 0.000 0.825 233 D CB -0.149 40.607 40.800 -0.074 0.000 1.037 233 D HN 0.274 nan 8.370 nan 0.000 0.506 234 D N -0.192 120.174 120.400 -0.056 0.000 2.650 234 D HA 0.256 4.895 4.640 -0.000 0.000 0.265 234 D C 1.098 177.403 176.300 0.008 0.000 1.339 234 D CA -0.409 53.581 54.000 -0.017 0.000 0.816 234 D CB 0.173 40.977 40.800 0.006 0.000 1.091 234 D HN 0.126 nan 8.370 nan 0.000 0.483 235 A N 0.371 123.159 122.820 -0.053 0.000 2.169 235 A HA 0.560 4.880 4.320 -0.000 0.000 0.212 235 A C 1.467 179.062 177.584 0.019 0.000 1.153 235 A CA 0.772 52.785 52.037 -0.040 0.000 0.756 235 A CB -0.392 18.516 19.000 -0.153 0.000 0.813 235 A HN 0.668 nan 8.150 nan 0.000 0.471 236 G N -0.921 107.860 108.800 -0.033 0.000 2.545 236 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 236 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 236 G C -0.431 174.406 174.900 -0.105 0.000 1.314 236 G CA -0.093 44.983 45.100 -0.039 0.000 0.906 236 G HN 0.533 nan 8.290 nan 0.000 0.563 237 K N -1.331 119.012 120.400 -0.094 0.000 2.433 237 K HA 0.577 4.897 4.320 -0.000 0.000 0.252 237 K C 0.851 177.403 176.600 -0.081 0.000 1.015 237 K CA -0.897 55.292 56.287 -0.163 0.000 0.860 237 K CB 1.471 33.914 32.500 -0.095 0.000 1.359 237 K HN 0.391 nan 8.250 nan 0.000 0.452 238 Y N 0.970 121.338 120.300 0.113 0.000 2.073 238 Y HA -0.316 4.234 4.550 0.000 0.000 0.270 238 Y C 1.300 177.364 175.900 0.273 0.000 1.226 238 Y CA 2.181 60.437 58.100 0.260 0.000 1.117 238 Y CB -0.644 38.022 38.460 0.343 0.000 0.939 238 Y HN 0.616 nan 8.280 nan 0.000 0.504 239 N N -0.234 118.634 118.700 0.281 0.000 2.313 239 N HA 0.012 4.751 4.740 -0.000 0.000 0.207 239 N C -0.498 175.054 175.510 0.070 0.000 1.141 239 N CA -0.085 53.037 53.050 0.120 0.000 0.830 239 N CB 0.057 38.553 38.487 0.015 0.000 1.008 239 N HN 0.232 nan 8.380 nan 0.000 0.481 240 D N 0.585 121.017 120.400 0.053 0.000 2.384 240 D HA 0.094 4.733 4.640 -0.000 0.000 0.244 240 D C 0.458 176.727 176.300 -0.052 0.000 1.251 240 D CA -0.098 53.897 54.000 -0.008 0.000 0.961 240 D CB 1.045 41.827 40.800 -0.030 0.000 1.116 240 D HN -0.090 nan 8.370 nan 0.000 0.484 241 V N -2.062 117.775 119.914 -0.129 0.000 2.769 241 V HA 0.366 4.486 4.120 -0.000 0.000 0.312 241 V C -1.954 173.874 176.094 -0.443 0.000 1.058 241 V CA -1.532 60.548 62.300 -0.366 0.000 0.952 241 V CB 1.620 33.331 31.823 -0.186 0.000 1.019 241 V HN 0.297 nan 8.190 nan 0.000 0.445 242 P HA -0.155 nan 4.420 nan 0.000 0.216 242 P C 1.373 178.578 177.300 -0.157 0.000 1.153 242 P CA 1.780 64.621 63.100 -0.432 0.000 0.848 242 P CB 0.085 31.453 31.700 -0.554 0.000 0.787 243 E N 0.555 120.653 120.200 -0.169 0.000 2.265 243 E HA -0.136 4.213 4.350 -0.000 0.000 0.196 243 E C 1.631 178.211 176.600 -0.033 0.000 0.996 243 E CA 1.525 57.889 56.400 -0.060 0.000 0.832 243 E CB -1.034 28.641 29.700 -0.041 0.000 0.756 243 E HN 0.313 nan 8.360 nan 0.000 0.491 244 S N 0.746 116.414 115.700 -0.053 0.000 2.701 244 S HA -0.001 4.468 4.470 -0.000 0.000 0.220 244 S C 0.646 175.244 174.600 -0.003 0.000 0.954 244 S CA 0.174 58.358 58.200 -0.026 0.000 0.936 244 S CB -0.481 62.702 63.200 -0.029 0.000 0.777 244 S HN 0.387 nan 8.310 nan 0.000 0.518 245 T N -3.711 110.858 114.554 0.024 0.000 2.924 245 T HA 0.696 5.046 4.350 -0.000 0.000 0.291 245 T C 1.202 175.935 174.700 0.054 0.000 1.045 245 T CA -0.238 61.897 62.100 0.058 0.000 1.015 245 T CB 1.251 70.208 68.868 0.149 0.000 1.103 245 T HN 0.025 nan 8.240 nan 0.000 0.496 246 G N 0.029 108.851 108.800 0.037 0.000 2.421 246 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.217 246 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.217 246 G C 0.988 175.882 174.900 -0.011 0.000 1.143 246 G CA 0.055 45.161 45.100 0.011 0.000 0.784 246 G HN 0.684 nan 8.290 nan 0.000 0.541 247 F N 0.549 120.400 119.950 -0.165 0.000 2.113 247 F HA 0.128 4.655 4.527 0.000 0.000 0.297 247 F C 1.801 177.438 175.800 -0.272 0.000 1.103 247 F CA 1.198 59.002 58.000 -0.325 0.000 1.248 247 F CB 0.109 38.746 39.000 -0.606 0.000 0.999 247 F HN 0.106 nan 8.300 nan 0.000 0.475 248 F N 0.743 120.769 119.950 0.126 0.000 2.727 248 F HA 0.154 4.681 4.527 -0.000 0.000 0.302 248 F C 1.010 176.774 175.800 -0.060 0.000 1.097 248 F CA -0.351 57.599 58.000 -0.084 0.000 1.330 248 F CB -0.803 38.110 39.000 -0.144 0.000 1.084 248 F HN -0.181 nan 8.300 nan 0.000 0.578 249 K N 0.708 121.189 120.400 0.135 0.000 2.149 249 K HA 0.296 4.615 4.320 -0.000 0.000 0.245 249 K C 0.615 177.314 176.600 0.164 0.000 1.024 249 K CA -0.305 56.042 56.287 0.100 0.000 0.899 249 K CB 0.400 32.931 32.500 0.051 0.000 1.038 249 K HN 0.064 nan 8.250 nan 0.000 0.496 250 S N 1.375 117.149 115.700 0.123 0.000 2.560 250 S HA -0.001 4.469 4.470 -0.000 0.000 0.284 250 S C 0.121 174.759 174.600 0.064 0.000 1.327 250 S CA -0.174 58.106 58.200 0.133 0.000 1.055 250 S CB -0.063 63.191 63.200 0.091 0.000 0.868 250 S HN 0.871 nan 8.310 nan 0.000 0.506 251 N N 0.309 119.016 118.700 0.012 0.000 2.753 251 N HA -0.123 4.617 4.740 -0.000 0.000 0.251 251 N C 0.457 175.918 175.510 -0.082 0.000 1.097 251 N CA 1.262 54.273 53.050 -0.066 0.000 0.786 251 N CB -1.827 36.635 38.487 -0.042 0.000 1.137 251 N HN 0.957 nan 8.380 nan 0.000 0.566 252 G N -0.445 108.335 108.800 -0.033 0.000 2.516 252 G HA2 0.284 4.244 3.960 -0.000 0.000 0.276 252 G HA3 0.284 4.244 3.960 -0.000 0.000 0.276 252 G C 1.124 175.880 174.900 -0.240 0.000 1.390 252 G CA 0.573 45.628 45.100 -0.074 0.000 1.050 252 G HN 0.125 nan 8.290 nan 0.000 0.519 253 T N -0.179 114.171 114.554 -0.340 0.000 2.803 253 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 253 T C 2.030 176.299 174.700 -0.718 0.000 1.052 253 T CA 2.118 63.918 62.100 -0.500 0.000 1.136 253 T CB -0.477 68.095 68.868 -0.493 0.000 0.864 253 T HN 0.626 nan 8.240 nan 0.000 0.467 254 Y N 2.350 121.937 120.300 -1.188 0.000 2.465 254 Y HA -0.023 4.527 4.550 -0.000 0.000 0.289 254 Y C 1.862 177.577 175.900 -0.309 0.000 1.150 254 Y CA 0.292 57.854 58.100 -0.897 0.000 1.293 254 Y CB -1.086 37.005 38.460 -0.615 0.000 0.977 254 Y HN 0.200 nan 8.280 nan 0.000 0.556 255 V N -2.896 116.526 119.914 -0.820 0.000 3.542 255 V HA 0.287 4.407 4.120 -0.000 0.000 0.296 255 V C 0.546 176.447 176.094 -0.322 0.000 1.364 255 V CA 0.002 61.938 62.300 -0.608 0.000 1.118 255 V CB -0.963 30.462 31.823 -0.665 0.000 0.972 255 V HN 0.274 nan 8.190 nan 0.000 0.430 256 T N 0.465 114.840 114.554 -0.299 0.000 2.816 256 T HA 0.205 4.554 4.350 -0.000 0.000 0.282 256 T C 1.072 175.670 174.700 -0.169 0.000 0.993 256 T CA -0.025 61.946 62.100 -0.215 0.000 0.994 256 T CB 1.802 70.526 68.868 -0.241 0.000 1.025 256 T HN 0.406 nan 8.240 nan 0.000 0.529 257 E N 0.674 120.798 120.200 -0.126 0.000 2.070 257 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 257 E C 2.177 178.631 176.600 -0.243 0.000 1.004 257 E CA 1.528 57.892 56.400 -0.061 0.000 0.805 257 E CB -0.033 29.683 29.700 0.027 0.000 0.744 257 E HN 0.605 nan 8.360 nan 0.000 0.451 258 K N -0.081 119.938 120.400 -0.636 0.000 2.155 258 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 258 K C 2.109 178.466 176.600 -0.404 0.000 1.052 258 K CA 1.466 57.057 56.287 -1.160 0.000 0.948 258 K CB -0.213 31.138 32.500 -1.915 0.000 0.728 258 K HN 0.081 nan 8.250 nan 0.000 0.448 259 G N 1.384 110.035 108.800 -0.249 0.000 2.408 259 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 259 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 259 G C 1.301 176.249 174.900 0.081 0.000 1.150 259 G CA 0.696 45.768 45.100 -0.046 0.000 0.776 259 G HN 0.280 nan 8.290 nan 0.000 0.542 260 K N -0.553 119.874 120.400 0.045 0.000 2.025 260 K HA 0.064 4.383 4.320 -0.000 0.000 0.207 260 K C 2.045 178.762 176.600 0.196 0.000 1.049 260 K CA 0.873 57.256 56.287 0.159 0.000 0.933 260 K CB -0.371 32.235 32.500 0.176 0.000 0.714 260 K HN 0.265 nan 8.250 nan 0.000 0.438 261 F N 0.697 120.681 119.950 0.058 0.000 2.095 261 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 261 F C 1.961 177.889 175.800 0.212 0.000 1.104 261 F CA 1.364 59.453 58.000 0.149 0.000 1.232 261 F CB -0.381 38.723 39.000 0.173 0.000 0.987 261 F HN 0.034 nan 8.300 nan 0.000 0.475 262 F N 0.795 120.925 119.950 0.299 0.000 2.095 262 F HA -0.199 4.328 4.527 -0.001 0.000 0.298 262 F C 1.867 177.715 175.800 0.081 0.000 1.104 262 F CA 1.818 59.942 58.000 0.206 0.000 1.232 262 F CB -0.828 38.105 39.000 -0.111 0.000 0.987 262 F HN -0.014 nan 8.300 nan 0.000 0.475 263 L N -0.426 120.576 121.223 -0.369 0.000 2.083 263 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 263 L C 2.336 178.918 176.870 -0.479 0.000 1.083 263 L CA 1.808 56.243 54.840 -0.675 0.000 0.752 263 L CB -1.202 40.241 42.059 -1.027 0.000 0.899 263 L HN 0.164 nan 8.230 nan 0.000 0.433 264 T N -1.549 112.904 114.554 -0.169 0.000 2.857 264 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 264 T C 1.334 176.013 174.700 -0.035 0.000 1.048 264 T CA 1.142 63.272 62.100 0.050 0.000 1.139 264 T CB -0.309 68.608 68.868 0.082 0.000 0.874 264 T HN 0.502 nan 8.240 nan 0.000 0.455 265 W N 1.038 122.141 121.300 -0.329 0.000 2.333 265 W HA -0.218 4.441 4.660 -0.000 0.000 0.316 265 W C 2.077 178.510 176.519 -0.143 0.000 1.215 265 W CA 0.987 58.194 57.345 -0.230 0.000 1.278 265 W CB -0.714 28.666 29.460 -0.134 0.000 1.154 265 W HN 0.280 nan 8.180 nan 0.000 0.486 266 Y N 1.883 121.921 120.300 -0.436 0.000 2.165 266 Y HA -0.300 4.249 4.550 -0.000 0.000 0.286 266 Y C 2.851 178.556 175.900 -0.325 0.000 1.155 266 Y CA 3.128 60.818 58.100 -0.684 0.000 1.164 266 Y CB -0.842 37.043 38.460 -0.958 0.000 0.978 266 Y HN 0.070 nan 8.280 nan 0.000 0.513 267 S N -0.942 114.667 115.700 -0.153 0.000 2.414 267 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 267 S C 1.664 176.204 174.600 -0.099 0.000 1.022 267 S CA 1.065 59.222 58.200 -0.072 0.000 0.958 267 S CB -0.811 62.446 63.200 0.095 0.000 0.797 267 S HN 0.625 nan 8.310 nan 0.000 0.493 268 N N 1.475 120.100 118.700 -0.125 0.000 2.223 268 N HA -0.038 4.702 4.740 -0.000 0.000 0.185 268 N C 1.609 177.014 175.510 -0.176 0.000 1.016 268 N CA 0.867 53.846 53.050 -0.119 0.000 0.863 268 N CB -0.049 38.384 38.487 -0.090 0.000 0.983 268 N HN 0.243 nan 8.380 nan 0.000 0.429 269 K N 1.305 121.518 120.400 -0.311 0.000 2.063 269 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 269 K C 2.023 178.509 176.600 -0.190 0.000 1.048 269 K CA 0.774 56.889 56.287 -0.287 0.000 0.928 269 K CB -0.511 31.742 32.500 -0.410 0.000 0.713 269 K HN 0.292 nan 8.250 nan 0.000 0.442 270 L N 0.525 121.604 121.223 -0.240 0.000 2.005 270 L HA -0.165 4.174 4.340 -0.000 0.000 0.207 270 L C 2.506 179.351 176.870 -0.041 0.000 1.072 270 L CA 1.033 55.754 54.840 -0.199 0.000 0.744 270 L CB -0.571 41.330 42.059 -0.264 0.000 0.895 270 L HN 0.127 nan 8.230 nan 0.000 0.433 271 L N -0.294 120.907 121.223 -0.037 0.000 2.081 271 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 271 L C 2.093 178.972 176.870 0.015 0.000 1.080 271 L CA 1.678 56.519 54.840 0.002 0.000 0.754 271 L CB -0.634 41.425 42.059 -0.000 0.000 0.893 271 L HN 0.380 nan 8.230 nan 0.000 0.433 272 N N -1.435 117.268 118.700 0.005 0.000 2.216 272 N HA -0.194 4.546 4.740 -0.000 0.000 0.183 272 N C 1.845 177.391 175.510 0.060 0.000 1.017 272 N CA 0.705 53.770 53.050 0.025 0.000 0.861 272 N CB -0.032 38.461 38.487 0.011 0.000 0.986 272 N HN 0.335 nan 8.380 nan 0.000 0.428 273 H N -0.454 118.585 119.070 -0.051 0.000 2.321 273 H HA -0.013 4.542 4.556 -0.001 0.000 0.300 273 H C 2.070 177.378 175.328 -0.033 0.000 1.087 273 H CA 2.150 58.176 56.048 -0.036 0.000 1.319 273 H CB -0.609 29.121 29.762 -0.053 0.000 1.379 273 H HN 0.208 nan 8.280 nan 0.000 0.501 274 G N -0.420 108.384 108.800 0.006 0.000 2.440 274 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 274 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 274 G C 1.547 176.379 174.900 -0.113 0.000 1.154 274 G CA 1.062 46.103 45.100 -0.099 0.000 0.767 274 G HN 0.540 nan 8.290 nan 0.000 0.552 275 D N -0.062 120.324 120.400 -0.023 0.000 2.117 275 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 275 D C 2.604 178.923 176.300 0.031 0.000 0.982 275 D CA 1.025 55.059 54.000 0.056 0.000 0.828 275 D CB -0.156 40.712 40.800 0.113 0.000 0.967 275 D HN 0.418 nan 8.370 nan 0.000 0.464 276 Q N -0.412 119.383 119.800 -0.007 0.000 2.046 276 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 276 Q C 2.463 178.427 176.000 -0.060 0.000 0.975 276 Q CA 1.067 56.862 55.803 -0.013 0.000 0.836 276 Q CB -0.014 28.716 28.738 -0.014 0.000 0.896 276 Q HN 0.399 nan 8.270 nan 0.000 0.428 277 I N 0.485 120.974 120.570 -0.134 0.000 2.315 277 I HA -0.269 3.900 4.170 -0.000 0.000 0.248 277 I C 2.086 178.121 176.117 -0.137 0.000 1.117 277 I CA 0.887 62.104 61.300 -0.139 0.000 1.404 277 I CB -0.122 37.739 38.000 -0.232 0.000 1.071 277 I HN 0.206 nan 8.210 nan 0.000 0.419 278 L N 0.110 121.185 121.223 -0.246 0.000 2.131 278 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 278 L C 2.140 178.847 176.870 -0.271 0.000 1.092 278 L CA 1.094 55.693 54.840 -0.401 0.000 0.759 278 L CB -0.550 40.952 42.059 -0.927 0.000 0.903 278 L HN 0.284 nan 8.230 nan 0.000 0.435 279 D N -0.166 120.174 120.400 -0.099 0.000 2.104 279 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 279 D C 2.139 178.475 176.300 0.060 0.000 0.994 279 D CA 1.096 55.160 54.000 0.106 0.000 0.830 279 D CB 0.123 40.985 40.800 0.104 0.000 0.959 279 D HN 0.224 nan 8.370 nan 0.000 0.452 280 E N 0.509 120.723 120.200 0.023 0.000 2.072 280 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 280 E C 2.049 178.689 176.600 0.067 0.000 0.985 280 E CA 0.749 57.170 56.400 0.035 0.000 0.801 280 E CB -0.365 29.348 29.700 0.022 0.000 0.750 280 E HN 0.223 nan 8.360 nan 0.000 0.452 281 A N 1.783 124.652 122.820 0.082 0.000 1.902 281 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 281 A C 2.079 179.809 177.584 0.243 0.000 1.181 281 A CA 1.609 53.764 52.037 0.196 0.000 0.623 281 A CB -0.641 18.436 19.000 0.129 0.000 0.818 281 A HN 0.246 nan 8.150 nan 0.000 0.443 282 N N 0.389 119.182 118.700 0.154 0.000 2.188 282 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 282 N C 1.862 177.461 175.510 0.148 0.000 1.018 282 N CA 1.725 54.882 53.050 0.179 0.000 0.858 282 N CB -0.169 38.433 38.487 0.191 0.000 0.989 282 N HN 0.745 nan 8.380 nan 0.000 0.426 283 K N 0.365 120.825 120.400 0.100 0.000 2.103 283 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 283 K C 1.995 178.598 176.600 0.005 0.000 1.052 283 K CA 1.102 57.422 56.287 0.056 0.000 0.945 283 K CB -0.224 32.301 32.500 0.042 0.000 0.722 283 K HN 0.034 nan 8.250 nan 0.000 0.443 284 A N 0.740 123.538 122.820 -0.037 0.000 1.933 284 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 284 A C 1.314 178.663 177.584 -0.393 0.000 1.175 284 A CA 1.018 52.908 52.037 -0.245 0.000 0.628 284 A CB -0.508 18.273 19.000 -0.365 0.000 0.814 284 A HN 0.418 nan 8.150 nan 0.000 0.444 285 F N -1.303 118.674 119.950 0.046 0.000 2.639 285 F HA 0.337 4.864 4.527 -0.001 0.000 0.302 285 F C 0.390 176.212 175.800 0.038 0.000 1.097 285 F CA -0.983 57.044 58.000 0.045 0.000 1.294 285 F CB 0.052 39.081 39.000 0.047 0.000 1.027 285 F HN 0.067 nan 8.300 nan 0.000 0.550 286 L N 1.083 122.387 121.223 0.136 0.000 2.615 286 L HA 0.250 4.590 4.340 -0.000 0.000 0.284 286 L C 1.269 178.188 176.870 0.082 0.000 1.237 286 L CA 1.273 56.175 54.840 0.104 0.000 0.905 286 L CB 0.044 42.142 42.059 0.065 0.000 1.149 286 L HN 0.506 nan 8.230 nan 0.000 0.499 287 G N 2.130 110.975 108.800 0.074 0.000 2.284 287 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.247 287 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.247 287 G C 0.583 175.522 174.900 0.065 0.000 1.012 287 G CA 0.046 45.178 45.100 0.053 0.000 0.618 287 G HN 0.857 nan 8.290 nan 0.000 0.521 288 C N 2.413 121.777 119.300 0.108 0.000 2.652 288 C HA 0.457 4.917 4.460 -0.000 0.000 0.412 288 C C 1.076 176.117 174.990 0.085 0.000 1.294 288 C CA -0.474 58.617 59.018 0.121 0.000 2.127 288 C CB 0.891 28.768 27.740 0.229 0.000 2.691 288 C HN 0.366 nan 8.230 nan 0.000 0.615 289 K N 2.735 123.173 120.400 0.064 0.000 2.155 289 K HA 0.325 4.645 4.320 -0.000 0.000 0.240 289 K C -0.237 176.386 176.600 0.039 0.000 1.193 289 K CA 0.246 56.560 56.287 0.044 0.000 1.104 289 K CB -0.411 32.110 32.500 0.036 0.000 1.558 289 K HN 0.660 nan 8.250 nan 0.000 0.313 290 V N -1.600 118.331 119.914 0.027 0.000 3.147 290 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 290 V C -0.774 175.306 176.094 -0.022 0.000 1.209 290 V CA -1.338 60.953 62.300 -0.014 0.000 1.023 290 V CB 2.463 34.232 31.823 -0.090 0.000 1.059 290 V HN 0.113 nan 8.190 nan 0.000 0.435 291 K N 2.050 122.430 120.400 -0.032 0.000 2.123 291 K HA 0.725 5.045 4.320 -0.000 0.000 0.248 291 K C -0.818 175.723 176.600 -0.098 0.000 0.969 291 K CA -0.586 55.676 56.287 -0.042 0.000 0.882 291 K CB 2.281 34.762 32.500 -0.032 0.000 1.080 291 K HN 0.743 nan 8.250 nan 0.000 0.441 292 L N 0.836 122.010 121.223 -0.081 0.000 2.344 292 L HA 0.683 5.023 4.340 -0.000 0.000 0.272 292 L C -0.001 176.811 176.870 -0.097 0.000 1.035 292 L CA -0.861 53.910 54.840 -0.114 0.000 0.807 292 L CB 1.670 43.685 42.059 -0.073 0.000 1.237 292 L HN 0.684 nan 8.230 nan 0.000 0.442 293 A N 2.444 125.199 122.820 -0.109 0.000 2.572 293 A HA 0.858 5.178 4.320 -0.000 0.000 0.295 293 A C -1.060 176.475 177.584 -0.082 0.000 1.072 293 A CA -0.511 51.477 52.037 -0.082 0.000 0.691 293 A CB 1.902 20.861 19.000 -0.068 0.000 1.291 293 A HN 0.700 nan 8.150 nan 0.000 0.404 294 I N -2.093 118.443 120.570 -0.057 0.000 3.002 294 I HA 0.726 4.896 4.170 -0.000 0.000 0.310 294 I C -0.803 175.300 176.117 -0.025 0.000 1.087 294 I CA -1.012 60.257 61.300 -0.051 0.000 1.017 294 I CB 2.339 40.311 38.000 -0.045 0.000 1.226 294 I HN 0.456 nan 8.210 nan 0.000 0.443 295 K N 2.662 123.047 120.400 -0.024 0.000 2.274 295 K HA 0.664 4.984 4.320 -0.000 0.000 0.262 295 K C -1.441 175.180 176.600 0.036 0.000 0.961 295 K CA -0.800 55.483 56.287 -0.006 0.000 0.833 295 K CB 2.625 35.100 32.500 -0.042 0.000 1.102 295 K HN 0.434 nan 8.250 nan 0.000 0.436 296 V N 1.984 121.944 119.914 0.077 0.000 2.417 296 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 296 V C 0.139 176.284 176.094 0.086 0.000 1.024 296 V CA -0.634 61.753 62.300 0.144 0.000 0.861 296 V CB 1.715 33.628 31.823 0.151 0.000 0.985 296 V HN 0.809 nan 8.190 nan 0.000 0.436 297 S N 3.662 119.485 115.700 0.206 0.000 2.564 297 S HA 0.394 4.864 4.470 -0.000 0.000 0.278 297 S C 0.597 175.181 174.600 -0.027 0.000 1.333 297 S CA 0.003 58.270 58.200 0.112 0.000 1.048 297 S CB 0.704 64.082 63.200 0.297 0.000 0.900 297 S HN 1.069 nan 8.310 nan 0.000 0.505 298 G N 4.580 113.197 108.800 -0.306 0.000 2.546 298 G HA2 0.493 4.453 3.960 -0.000 0.000 0.320 298 G HA3 0.493 4.453 3.960 -0.000 0.000 0.320 298 G C -0.412 174.529 174.900 0.068 0.000 0.984 298 G CA -0.529 44.398 45.100 -0.288 0.000 1.183 298 G HN 0.764 nan 8.290 nan 0.000 0.443 299 I N 3.068 123.663 120.570 0.042 0.000 2.268 299 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 299 I C 1.132 177.075 176.117 -0.291 0.000 1.125 299 I CA -0.656 60.401 61.300 -0.406 0.000 1.236 299 I CB 0.593 38.303 38.000 -0.483 0.000 1.469 299 I HN 0.798 nan 8.210 nan 0.000 0.512 300 H N 2.443 121.575 119.070 0.103 0.000 2.544 300 H HA 0.032 4.588 4.556 -0.000 0.000 0.269 300 H C 0.185 175.659 175.328 0.245 0.000 0.970 300 H CA -0.707 55.432 56.048 0.151 0.000 1.219 300 H CB -0.402 29.442 29.762 0.137 0.000 1.421 300 H HN 0.597 nan 8.280 nan 0.000 0.555 301 W N 0.445 121.542 121.300 -0.339 0.000 2.253 301 W HA 0.248 4.908 4.660 -0.000 0.000 0.322 301 W C -0.562 175.837 176.519 -0.201 0.000 1.342 301 W CA -1.221 55.906 57.345 -0.364 0.000 1.218 301 W CB 0.201 29.309 29.460 -0.586 0.000 1.205 301 W HN 0.394 nan 8.180 nan 0.000 0.551 302 W N 1.039 122.382 121.300 0.073 0.000 1.828 302 W HA -0.384 4.275 4.660 -0.001 0.000 0.253 302 W C 1.439 177.855 176.519 -0.172 0.000 1.019 302 W CA 0.542 57.837 57.345 -0.082 0.000 0.447 302 W CB -2.341 27.018 29.460 -0.169 0.000 2.033 302 W HN 0.698 nan 8.180 nan 0.000 1.268 303 Y N 1.443 121.711 120.300 -0.054 0.000 2.274 303 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 303 Y C 2.045 177.774 175.900 -0.285 0.000 1.145 303 Y CA 2.428 60.446 58.100 -0.137 0.000 1.203 303 Y CB -0.172 38.329 38.460 0.068 0.000 0.984 303 Y HN -0.030 nan 8.280 nan 0.000 0.533 304 K N 0.195 120.580 120.400 -0.024 0.000 2.458 304 K HA 0.133 4.453 4.320 -0.000 0.000 0.194 304 K C -0.114 176.437 176.600 -0.081 0.000 1.024 304 K CA 0.270 56.532 56.287 -0.041 0.000 1.108 304 K CB 0.156 32.699 32.500 0.071 0.000 0.846 304 K HN 0.150 nan 8.250 nan 0.000 0.518 305 V N -2.382 117.458 119.914 -0.124 0.000 2.966 305 V HA 0.248 4.368 4.120 -0.000 0.000 0.317 305 V C 1.106 177.114 176.094 -0.144 0.000 1.070 305 V CA -0.814 61.456 62.300 -0.050 0.000 1.008 305 V CB 1.845 33.713 31.823 0.075 0.000 1.070 305 V HN 0.030 nan 8.190 nan 0.000 0.457 306 E N 1.545 121.751 120.200 0.011 0.000 2.204 306 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 306 E C 1.688 178.430 176.600 0.236 0.000 0.990 306 E CA 1.686 58.167 56.400 0.135 0.000 0.821 306 E CB 0.038 29.847 29.700 0.182 0.000 0.750 306 E HN 0.943 nan 8.360 nan 0.000 0.477 307 N N -0.449 118.280 118.700 0.048 0.000 2.424 307 N HA -0.138 4.602 4.740 -0.000 0.000 0.178 307 N C -0.100 175.420 175.510 0.016 0.000 1.060 307 N CA 0.430 53.390 53.050 -0.150 0.000 0.901 307 N CB -0.122 38.127 38.487 -0.397 0.000 0.979 307 N HN 0.210 nan 8.380 nan 0.000 0.451 308 H N 0.062 119.096 119.070 -0.060 0.000 2.655 308 H HA -0.162 4.394 4.556 -0.000 0.000 0.313 308 H C 1.431 176.699 175.328 -0.100 0.000 1.141 308 H CA 0.385 56.429 56.048 -0.007 0.000 1.138 308 H CB -1.255 28.533 29.762 0.043 0.000 1.446 308 H HN 0.538 nan 8.280 nan 0.000 0.415 309 A N 0.706 123.356 122.820 -0.282 0.000 1.884 309 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 309 A C 2.548 179.842 177.584 -0.485 0.000 1.197 309 A CA 2.512 54.065 52.037 -0.805 0.000 0.637 309 A CB -0.757 17.417 19.000 -1.376 0.000 0.827 309 A HN 0.649 nan 8.150 nan 0.000 0.450 310 A N -0.547 122.118 122.820 -0.259 0.000 1.902 310 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 310 A C 1.912 179.375 177.584 -0.201 0.000 1.181 310 A CA 1.815 53.689 52.037 -0.271 0.000 0.623 310 A CB -0.588 18.029 19.000 -0.639 0.000 0.818 310 A HN 0.661 nan 8.150 nan 0.000 0.443 311 E N -0.555 119.605 120.200 -0.068 0.000 2.038 311 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 311 E C 1.877 178.576 176.600 0.166 0.000 1.000 311 E CA 1.270 57.754 56.400 0.140 0.000 0.803 311 E CB -0.298 29.602 29.700 0.332 0.000 0.750 311 E HN 0.414 nan 8.360 nan 0.000 0.448 312 L N 0.810 122.146 121.223 0.189 0.000 2.013 312 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 312 L C 2.718 179.802 176.870 0.357 0.000 1.073 312 L CA 2.332 57.370 54.840 0.330 0.000 0.753 312 L CB -1.310 41.052 42.059 0.505 0.000 0.890 312 L HN 0.329 nan 8.230 nan 0.000 0.432 313 T N -3.846 110.740 114.554 0.053 0.000 2.962 313 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 313 T C 1.741 176.545 174.700 0.172 0.000 1.088 313 T CA 0.796 62.822 62.100 -0.123 0.000 1.127 313 T CB -0.472 68.099 68.868 -0.496 0.000 0.883 313 T HN 0.257 nan 8.240 nan 0.000 0.493 314 A N 0.907 123.770 122.820 0.072 0.000 2.167 314 A HA 0.560 4.879 4.320 -0.000 0.000 0.214 314 A C 2.068 179.555 177.584 -0.162 0.000 1.151 314 A CA 0.735 52.744 52.037 -0.045 0.000 0.735 314 A CB -0.927 17.980 19.000 -0.155 0.000 0.802 314 A HN 1.352 nan 8.150 nan 0.000 0.467 315 G N -2.794 106.022 108.800 0.027 0.000 2.168 315 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.197 315 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.197 315 G C -0.310 174.558 174.900 -0.053 0.000 0.997 315 G CA 0.017 45.079 45.100 -0.063 0.000 0.658 315 G HN 0.330 nan 8.290 nan 0.000 0.513 316 Y N 0.707 121.070 120.300 0.106 0.000 2.595 316 Y HA 0.459 5.009 4.550 -0.000 0.000 0.336 316 Y C 0.456 176.379 175.900 0.039 0.000 0.996 316 Y CA -2.426 55.658 58.100 -0.026 0.000 1.260 316 Y CB 0.213 38.636 38.460 -0.061 0.000 1.108 316 Y HN 0.225 nan 8.280 nan 0.000 0.509 317 Y N 3.736 124.063 120.300 0.044 0.000 2.937 317 Y HA 0.096 4.646 4.550 -0.000 0.000 0.364 317 Y C -0.188 175.677 175.900 -0.058 0.000 1.164 317 Y CA -0.840 57.287 58.100 0.046 0.000 2.025 317 Y CB -0.797 37.689 38.460 0.043 0.000 2.155 317 Y HN 0.494 nan 8.280 nan 0.000 0.409 318 N N 3.011 121.750 118.700 0.064 0.000 2.425 318 N HA 0.507 5.247 4.740 -0.000 0.000 0.268 318 N C -1.286 174.018 175.510 -0.344 0.000 0.991 318 N CA -0.241 52.702 53.050 -0.178 0.000 0.931 318 N CB 0.734 39.108 38.487 -0.188 0.000 1.130 318 N HN 0.406 nan 8.380 nan 0.000 0.493 319 L N 1.723 122.706 121.223 -0.401 0.000 2.194 319 L HA 0.526 4.866 4.340 -0.000 0.000 0.248 319 L C 1.003 177.653 176.870 -0.368 0.000 1.071 319 L CA -1.088 53.477 54.840 -0.458 0.000 0.901 319 L CB 0.834 42.864 42.059 -0.048 0.000 1.497 319 L HN 0.390 nan 8.230 nan 0.000 0.442 320 N N 0.686 119.319 118.700 -0.111 0.000 2.381 320 N HA -0.112 4.627 4.740 -0.000 0.000 0.182 320 N C 0.377 175.862 175.510 -0.041 0.000 1.025 320 N CA 0.988 54.022 53.050 -0.027 0.000 0.888 320 N CB -0.234 38.292 38.487 0.064 0.000 0.965 320 N HN 0.623 nan 8.380 nan 0.000 0.438 321 D N -1.131 119.239 120.400 -0.051 0.000 2.501 321 D HA 0.088 4.728 4.640 -0.000 0.000 0.224 321 D C 0.055 176.296 176.300 -0.098 0.000 1.202 321 D CA -0.169 53.799 54.000 -0.054 0.000 0.829 321 D CB 0.247 41.028 40.800 -0.030 0.000 1.023 321 D HN 0.001 nan 8.370 nan 0.000 0.499 322 R N 0.906 121.317 120.500 -0.149 0.000 2.518 322 R HA 0.142 4.482 4.340 -0.000 0.000 0.296 322 R C -1.589 174.591 176.300 -0.199 0.000 1.080 322 R CA -0.519 55.458 56.100 -0.205 0.000 0.922 322 R CB 1.104 31.193 30.300 -0.352 0.000 1.184 322 R HN -0.167 nan 8.270 nan 0.000 0.445 323 D N 3.121 123.436 120.400 -0.140 0.000 2.344 323 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 323 D C 0.539 176.743 176.300 -0.160 0.000 1.255 323 D CA 0.399 54.338 54.000 -0.102 0.000 0.894 323 D CB 1.305 42.078 40.800 -0.045 0.000 1.067 323 D HN 0.825 nan 8.370 nan 0.000 0.492 324 G N 2.781 111.424 108.800 -0.262 0.000 3.284 324 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.236 324 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.236 324 G C 0.514 175.100 174.900 -0.522 0.000 1.158 324 G CA 0.041 44.935 45.100 -0.344 0.000 0.774 324 G HN 0.455 nan 8.290 nan 0.000 0.545 325 Y N -0.708 119.549 120.300 -0.072 0.000 2.558 325 Y HA 0.275 4.825 4.550 -0.000 0.000 0.273 325 Y C 2.580 178.420 175.900 -0.099 0.000 1.100 325 Y CA -0.156 57.868 58.100 -0.125 0.000 1.276 325 Y CB 0.030 38.368 38.460 -0.203 0.000 1.196 325 Y HN 0.093 nan 8.280 nan 0.000 0.527 326 R N 0.700 121.229 120.500 0.048 0.000 2.127 326 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 326 R C -1.031 175.269 176.300 0.001 0.000 1.134 326 R CA 1.547 57.656 56.100 0.016 0.000 0.975 326 R CB -1.044 29.259 30.300 0.006 0.000 0.865 326 R HN 0.206 nan 8.270 nan 0.000 0.447 327 P HA -0.119 nan 4.420 nan 0.000 0.218 327 P C 1.034 178.335 177.300 0.002 0.000 1.149 327 P CA 1.265 64.358 63.100 -0.012 0.000 0.817 327 P CB -0.030 31.657 31.700 -0.022 0.000 0.785 328 I N -0.472 120.103 120.570 0.008 0.000 2.286 328 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 328 I C 2.365 178.491 176.117 0.015 0.000 1.115 328 I CA 1.424 62.737 61.300 0.022 0.000 1.392 328 I CB -0.745 37.277 38.000 0.037 0.000 1.065 328 I HN -0.095 nan 8.210 nan 0.000 0.418 329 A N 0.788 123.613 122.820 0.007 0.000 1.930 329 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 329 A C 2.437 180.021 177.584 0.002 0.000 1.175 329 A CA 1.633 53.667 52.037 -0.004 0.000 0.627 329 A CB -0.590 18.401 19.000 -0.015 0.000 0.815 329 A HN 0.375 nan 8.150 nan 0.000 0.443 330 R N -0.958 119.544 120.500 0.003 0.000 2.092 330 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 330 R C 2.196 178.490 176.300 -0.008 0.000 1.119 330 R CA 1.588 57.687 56.100 -0.003 0.000 0.970 330 R CB -0.319 29.979 30.300 -0.003 0.000 0.864 330 R HN 0.485 nan 8.270 nan 0.000 0.440 331 M N 0.994 120.598 119.600 0.006 0.000 2.080 331 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 331 M C 1.886 178.226 176.300 0.067 0.000 1.068 331 M CA 1.728 57.044 55.300 0.026 0.000 1.109 331 M CB -0.427 32.201 32.600 0.046 0.000 1.342 331 M HN 0.327 nan 8.290 nan 0.000 0.405 332 L N 0.400 121.658 121.223 0.059 0.000 2.127 332 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 332 L C 2.663 179.540 176.870 0.013 0.000 1.089 332 L CA 1.557 56.438 54.840 0.068 0.000 0.757 332 L CB -1.026 41.043 42.059 0.018 0.000 0.899 332 L HN 0.486 nan 8.230 nan 0.000 0.434 333 S N 1.027 116.709 115.700 -0.029 0.000 2.400 333 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 333 S C 2.019 176.489 174.600 -0.217 0.000 1.025 333 S CA 1.343 59.498 58.200 -0.073 0.000 0.993 333 S CB -0.502 62.676 63.200 -0.036 0.000 0.808 333 S HN 0.602 nan 8.310 nan 0.000 0.478 334 R N 0.318 120.644 120.500 -0.290 0.000 2.148 334 R HA 0.040 4.379 4.340 -0.000 0.000 0.223 334 R C 1.644 177.486 176.300 -0.762 0.000 1.088 334 R CA 1.410 57.215 56.100 -0.491 0.000 0.985 334 R CB -0.791 29.231 30.300 -0.465 0.000 0.880 334 R HN 0.512 nan 8.270 nan 0.000 0.451 335 H N 0.400 119.249 119.070 -0.368 0.000 2.539 335 H HA 0.079 4.635 4.556 0.000 0.000 0.269 335 H C -0.217 174.950 175.328 -0.268 0.000 0.980 335 H CA 0.677 56.551 56.048 -0.291 0.000 1.152 335 H CB -0.042 29.651 29.762 -0.115 0.000 1.407 335 H HN 0.512 nan 8.280 nan 0.000 0.564 336 H N -1.234 117.865 119.070 0.047 0.000 2.820 336 H HA -0.104 4.452 4.556 -0.000 0.000 0.295 336 H C 0.389 175.700 175.328 -0.028 0.000 1.187 336 H CA 0.180 56.226 56.048 -0.003 0.000 1.144 336 H CB -1.511 28.245 29.762 -0.010 0.000 1.354 336 H HN 0.481 nan 8.280 nan 0.000 0.395 337 A N 0.353 123.202 122.820 0.048 0.000 2.269 337 A HA 0.721 5.040 4.320 -0.000 0.000 0.319 337 A C 0.408 177.956 177.584 -0.060 0.000 1.110 337 A CA -0.614 51.417 52.037 -0.009 0.000 0.847 337 A CB 0.999 19.993 19.000 -0.010 0.000 1.161 337 A HN 0.298 nan 8.150 nan 0.000 0.497 338 I N 0.666 121.183 120.570 -0.088 0.000 2.428 338 I HA 0.273 4.443 4.170 -0.000 0.000 0.296 338 I C -0.352 175.736 176.117 -0.048 0.000 0.985 338 I CA -0.288 60.951 61.300 -0.101 0.000 1.260 338 I CB 1.525 39.462 38.000 -0.106 0.000 1.389 338 I HN 0.552 nan 8.210 nan 0.000 0.484 339 L N 7.104 128.305 121.223 -0.036 0.000 2.255 339 L HA 0.348 4.688 4.340 -0.000 0.000 0.289 339 L C -0.110 176.777 176.870 0.028 0.000 1.046 339 L CA -0.176 54.657 54.840 -0.013 0.000 0.816 339 L CB 0.326 42.360 42.059 -0.041 0.000 1.197 339 L HN 0.644 nan 8.230 nan 0.000 0.427 340 N N 4.453 123.180 118.700 0.045 0.000 2.437 340 N HA 0.134 4.874 4.740 -0.000 0.000 0.243 340 N C -1.120 174.461 175.510 0.119 0.000 1.041 340 N CA -0.645 52.450 53.050 0.074 0.000 0.940 340 N CB 0.536 39.043 38.487 0.033 0.000 1.133 340 N HN 0.436 nan 8.380 nan 0.000 0.506 341 F N 4.092 124.019 119.950 -0.038 0.000 2.404 341 F HA 0.140 4.667 4.527 0.000 0.000 0.359 341 F C 1.646 177.434 175.800 -0.020 0.000 1.134 341 F CA -0.671 57.291 58.000 -0.063 0.000 1.160 341 F CB 0.716 39.645 39.000 -0.118 0.000 1.186 341 F HN 0.463 nan 8.300 nan 0.000 0.526 342 T N 1.597 115.898 114.554 -0.422 0.000 3.308 342 T HA 0.012 4.362 4.350 -0.000 0.000 0.255 342 T C 0.318 174.820 174.700 -0.330 0.000 1.162 342 T CA 0.071 61.994 62.100 -0.294 0.000 1.031 342 T CB -1.135 67.639 68.868 -0.158 0.000 0.973 342 T HN 0.521 nan 8.240 nan 0.000 0.544 343 C N 0.657 119.657 119.300 -0.500 0.000 2.599 343 C HA 0.670 5.130 4.460 -0.000 0.000 0.354 343 C C 0.364 175.262 174.990 -0.153 0.000 1.092 343 C CA -0.852 57.986 59.018 -0.301 0.000 1.280 343 C CB -0.119 27.442 27.740 -0.298 0.000 1.829 343 C HN 0.638 nan 8.230 nan 0.000 0.454 344 L N 4.284 125.480 121.223 -0.044 0.000 3.227 344 L HA 0.244 4.584 4.340 -0.000 0.000 0.287 344 L C 2.307 179.200 176.870 0.039 0.000 1.161 344 L CA 0.182 55.061 54.840 0.064 0.000 1.048 344 L CB 0.039 42.176 42.059 0.131 0.000 1.541 344 L HN 0.816 nan 8.230 nan 0.000 0.590 345 E N 0.825 121.008 120.200 -0.028 0.000 2.340 345 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 345 E C 0.750 177.303 176.600 -0.080 0.000 0.996 345 E CA 0.179 56.550 56.400 -0.049 0.000 0.869 345 E CB 0.128 29.771 29.700 -0.095 0.000 0.835 345 E HN 0.337 nan 8.360 nan 0.000 0.493 346 M N 1.587 121.114 119.600 -0.121 0.000 2.243 346 M HA 0.257 4.737 4.480 -0.000 0.000 0.341 346 M C 0.576 176.804 176.300 -0.120 0.000 1.130 346 M CA 0.137 55.341 55.300 -0.160 0.000 1.162 346 M CB 0.942 33.377 32.600 -0.275 0.000 1.497 346 M HN -0.229 nan 8.290 nan 0.000 0.456 347 R N 1.043 121.480 120.500 -0.106 0.000 2.604 347 R HA 0.193 4.533 4.340 -0.000 0.000 0.287 347 R C -0.009 176.246 176.300 -0.075 0.000 0.970 347 R CA -0.831 55.227 56.100 -0.070 0.000 0.946 347 R CB 1.206 31.479 30.300 -0.044 0.000 1.127 347 R HN 0.657 nan 8.270 nan 0.000 0.473 348 D N 0.533 120.902 120.400 -0.051 0.000 2.149 348 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 348 D C 1.583 177.871 176.300 -0.020 0.000 0.990 348 D CA 1.889 55.870 54.000 -0.030 0.000 0.839 348 D CB -0.044 40.750 40.800 -0.009 0.000 0.948 348 D HN 0.528 nan 8.370 nan 0.000 0.460 349 S N -0.316 115.372 115.700 -0.021 0.000 2.595 349 S HA -0.058 4.412 4.470 -0.000 0.000 0.235 349 S C 1.467 176.052 174.600 -0.026 0.000 0.974 349 S CA 0.466 58.656 58.200 -0.016 0.000 0.942 349 S CB -0.148 63.045 63.200 -0.013 0.000 0.766 349 S HN 0.223 nan 8.310 nan 0.000 0.536 350 E N 0.424 120.599 120.200 -0.043 0.000 2.474 350 E HA 0.118 4.468 4.350 -0.000 0.000 0.194 350 E C 0.014 176.586 176.600 -0.047 0.000 1.041 350 E CA 0.020 56.386 56.400 -0.056 0.000 0.874 350 E CB 0.262 29.909 29.700 -0.089 0.000 0.914 350 E HN 0.504 nan 8.360 nan 0.000 0.498 351 Q N 1.285 121.074 119.800 -0.017 0.000 2.235 351 Q HA 0.245 4.585 4.340 -0.000 0.000 0.250 351 Q C -2.230 173.793 176.000 0.038 0.000 0.909 351 Q CA -2.444 53.383 55.803 0.040 0.000 0.910 351 Q CB 0.269 29.064 28.738 0.096 0.000 1.223 351 Q HN 0.037 nan 8.270 nan 0.000 0.432 352 P HA 0.023 nan 4.420 nan 0.000 0.262 352 P C 0.285 177.576 177.300 -0.015 0.000 1.182 352 P CA 0.274 63.387 63.100 0.021 0.000 0.761 352 P CB 0.689 32.404 31.700 0.026 0.000 0.795 353 S N 1.572 117.259 115.700 -0.021 0.000 2.419 353 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 353 S C 1.263 175.825 174.600 -0.064 0.000 1.019 353 S CA 1.612 59.795 58.200 -0.029 0.000 0.982 353 S CB -0.539 62.654 63.200 -0.011 0.000 0.789 353 S HN 0.707 nan 8.310 nan 0.000 0.490 354 D N 0.874 121.224 120.400 -0.084 0.000 2.352 354 D HA 0.137 4.777 4.640 -0.000 0.000 0.232 354 D C 1.134 177.242 176.300 -0.319 0.000 1.055 354 D CA 0.539 54.474 54.000 -0.108 0.000 0.891 354 D CB -0.089 40.678 40.800 -0.055 0.000 0.897 354 D HN 0.373 nan 8.370 nan 0.000 0.529 355 A N 0.658 123.240 122.820 -0.397 0.000 2.220 355 A HA 0.051 4.371 4.320 -0.000 0.000 0.211 355 A C 0.757 177.863 177.584 -0.796 0.000 1.176 355 A CA -0.231 51.351 52.037 -0.759 0.000 0.834 355 A CB -0.108 18.576 19.000 -0.526 0.000 0.868 355 A HN 0.029 nan 8.150 nan 0.000 0.488 356 K N 0.553 120.726 120.400 -0.377 0.000 3.278 356 K HA -0.132 4.188 4.320 -0.000 0.000 0.270 356 K C -0.159 176.392 176.600 -0.081 0.000 0.955 356 K CA 0.887 57.074 56.287 -0.167 0.000 0.723 356 K CB -2.434 30.022 32.500 -0.074 0.000 1.382 356 K HN 0.394 nan 8.250 nan 0.000 0.461 357 S N -0.407 115.294 115.700 0.002 0.000 2.475 357 S HA 0.543 5.013 4.470 -0.000 0.000 0.281 357 S C 0.840 175.546 174.600 0.177 0.000 1.198 357 S CA 0.077 58.380 58.200 0.171 0.000 1.063 357 S CB 1.123 64.477 63.200 0.257 0.000 0.972 357 S HN 0.476 nan 8.310 nan 0.000 0.486 358 G N 5.390 114.322 108.800 0.221 0.000 4.959 358 G HA2 0.306 4.266 3.960 -0.000 0.000 0.297 358 G HA3 0.306 4.266 3.960 -0.000 0.000 0.297 358 G C -1.778 173.062 174.900 -0.099 0.000 1.351 358 G CA -1.006 44.162 45.100 0.114 0.000 1.016 358 G HN 0.522 nan 8.290 nan 0.000 0.592 359 P HA -0.251 nan 4.420 nan 0.000 0.215 359 P C 1.572 178.777 177.300 -0.158 0.000 1.163 359 P CA 1.358 64.389 63.100 -0.116 0.000 0.894 359 P CB 0.315 31.858 31.700 -0.261 0.000 0.791 360 Q N -0.185 119.532 119.800 -0.138 0.000 2.096 360 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 360 Q C 2.207 178.050 176.000 -0.262 0.000 0.982 360 Q CA 1.621 57.327 55.803 -0.162 0.000 0.850 360 Q CB -0.591 28.075 28.738 -0.120 0.000 0.901 360 Q HN 0.343 nan 8.270 nan 0.000 0.422 361 E N 0.675 120.733 120.200 -0.237 0.000 2.072 361 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 361 E C 1.732 178.117 176.600 -0.358 0.000 0.985 361 E CA 0.544 56.808 56.400 -0.226 0.000 0.801 361 E CB -0.219 29.488 29.700 0.011 0.000 0.750 361 E HN 0.140 nan 8.360 nan 0.000 0.452 362 L N 0.424 121.238 121.223 -0.681 0.000 1.990 362 L HA -0.205 4.134 4.340 -0.000 0.000 0.213 362 L C 2.092 178.697 176.870 -0.442 0.000 1.072 362 L CA 1.584 55.989 54.840 -0.725 0.000 0.755 362 L CB -0.696 40.982 42.059 -0.634 0.000 0.889 362 L HN 0.040 nan 8.230 nan 0.000 0.432 363 V N -0.198 119.539 119.914 -0.294 0.000 2.252 363 V HA -0.390 3.730 4.120 -0.000 0.000 0.249 363 V C 2.615 178.485 176.094 -0.374 0.000 1.056 363 V CA 2.298 64.446 62.300 -0.253 0.000 1.022 363 V CB -0.781 31.025 31.823 -0.029 0.000 0.641 363 V HN 0.606 nan 8.190 nan 0.000 0.445 364 Q N -0.646 118.832 119.800 -0.537 0.000 2.135 364 Q HA -0.303 4.037 4.340 -0.000 0.000 0.204 364 Q C 2.347 178.171 176.000 -0.293 0.000 0.981 364 Q CA 1.941 57.333 55.803 -0.685 0.000 0.856 364 Q CB -0.270 27.905 28.738 -0.938 0.000 0.902 364 Q HN 0.692 nan 8.270 nan 0.000 0.425 365 Q N 0.451 120.100 119.800 -0.252 0.000 2.002 365 Q HA -0.192 4.147 4.340 -0.000 0.000 0.204 365 Q C 2.205 178.075 176.000 -0.218 0.000 0.988 365 Q CA 1.954 57.672 55.803 -0.142 0.000 0.843 365 Q CB 0.002 28.713 28.738 -0.045 0.000 0.908 365 Q HN 0.270 nan 8.270 nan 0.000 0.420 366 V N 1.380 121.011 119.914 -0.471 0.000 2.287 366 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 366 V C 2.403 178.197 176.094 -0.501 0.000 1.053 366 V CA 1.749 63.652 62.300 -0.662 0.000 1.027 366 V CB -0.654 30.322 31.823 -1.412 0.000 0.646 366 V HN 0.404 nan 8.190 nan 0.000 0.447 367 L N -0.299 120.640 121.223 -0.474 0.000 2.093 367 L HA -0.111 4.228 4.340 -0.000 0.000 0.208 367 L C 2.620 179.170 176.870 -0.533 0.000 1.085 367 L CA 1.522 55.973 54.840 -0.648 0.000 0.755 367 L CB -0.926 40.691 42.059 -0.736 0.000 0.904 367 L HN 0.309 nan 8.230 nan 0.000 0.435 368 S N 0.729 116.451 115.700 0.038 0.000 2.359 368 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 368 S C 2.114 176.873 174.600 0.264 0.000 1.035 368 S CA 1.400 59.884 58.200 0.472 0.000 1.018 368 S CB -0.741 62.683 63.200 0.373 0.000 0.876 368 S HN 0.603 nan 8.310 nan 0.000 0.448 369 G N 1.281 110.105 108.800 0.039 0.000 2.440 369 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 369 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 369 G C 1.420 176.336 174.900 0.027 0.000 1.154 369 G CA 1.079 46.192 45.100 0.022 0.000 0.767 369 G HN 0.568 nan 8.290 nan 0.000 0.552 370 G N 0.078 108.829 108.800 -0.082 0.000 2.453 370 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 370 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 370 G C 1.595 176.534 174.900 0.064 0.000 1.201 370 G CA 0.964 46.001 45.100 -0.106 0.000 0.784 370 G HN 0.378 nan 8.290 nan 0.000 0.545 371 W N 0.974 122.358 121.300 0.139 0.000 2.342 371 W HA -0.019 4.641 4.660 -0.000 0.000 0.297 371 W C 2.709 179.355 176.519 0.212 0.000 1.213 371 W CA 0.988 58.415 57.345 0.138 0.000 1.251 371 W CB -0.651 28.859 29.460 0.083 0.000 1.136 371 W HN 0.269 nan 8.180 nan 0.000 0.526 372 R N 0.966 121.770 120.500 0.506 0.000 2.081 372 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 372 R C 1.723 178.142 176.300 0.198 0.000 1.131 372 R CA 1.675 57.985 56.100 0.350 0.000 0.960 372 R CB -0.357 30.074 30.300 0.218 0.000 0.856 372 R HN -0.128 nan 8.270 nan 0.000 0.436 373 E N 0.491 120.777 120.200 0.144 0.000 2.511 373 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 373 E C -0.219 176.436 176.600 0.092 0.000 1.066 373 E CA 0.556 57.009 56.400 0.088 0.000 0.871 373 E CB -0.022 29.708 29.700 0.051 0.000 0.863 373 E HN 0.343 nan 8.360 nan 0.000 0.520 374 D N 0.138 120.622 120.400 0.139 0.000 2.809 374 D HA -0.166 4.474 4.640 -0.000 0.000 0.234 374 D C -0.424 175.929 176.300 0.089 0.000 1.111 374 D CA 0.470 54.546 54.000 0.126 0.000 0.726 374 D CB -1.583 39.271 40.800 0.090 0.000 1.089 374 D HN 0.390 nan 8.370 nan 0.000 0.436 375 I N -3.376 117.243 120.570 0.082 0.000 3.133 375 I HA 0.643 4.813 4.170 -0.000 0.000 0.311 375 I C 0.442 176.573 176.117 0.023 0.000 1.072 375 I CA -1.276 60.038 61.300 0.024 0.000 1.015 375 I CB 1.443 39.439 38.000 -0.007 0.000 1.233 375 I HN -0.203 nan 8.210 nan 0.000 0.473 376 R N 1.477 121.931 120.500 -0.077 0.000 2.459 376 R HA 0.702 5.041 4.340 -0.000 0.000 0.281 376 R C -1.196 175.076 176.300 -0.047 0.000 1.050 376 R CA -0.736 55.302 56.100 -0.104 0.000 1.055 376 R CB 1.777 31.776 30.300 -0.502 0.000 1.045 376 R HN 0.476 nan 8.270 nan 0.000 0.495 377 V N 1.807 121.764 119.914 0.070 0.000 2.588 377 V HA 0.692 4.812 4.120 -0.000 0.000 0.304 377 V C -0.323 175.869 176.094 0.164 0.000 1.042 377 V CA -0.570 61.738 62.300 0.014 0.000 0.877 377 V CB 1.617 33.285 31.823 -0.259 0.000 0.996 377 V HN 0.989 nan 8.190 nan 0.000 0.425 378 A N 3.094 126.006 122.820 0.152 0.000 2.443 378 A HA 1.097 5.417 4.320 -0.000 0.000 0.278 378 A C -0.012 177.682 177.584 0.184 0.000 1.252 378 A CA -0.198 51.971 52.037 0.219 0.000 0.816 378 A CB 2.066 21.215 19.000 0.249 0.000 1.369 378 A HN 1.525 nan 8.150 nan 0.000 0.446 379 G N -1.285 107.630 108.800 0.192 0.000 2.495 379 G HA2 0.585 4.545 3.960 -0.000 0.000 0.294 379 G HA3 0.585 4.545 3.960 -0.000 0.000 0.294 379 G C -1.809 173.175 174.900 0.140 0.000 1.397 379 G CA -0.478 44.717 45.100 0.158 0.000 0.790 379 G HN 0.834 nan 8.290 nan 0.000 0.486 380 E N -0.303 119.940 120.200 0.071 0.000 2.429 380 E HA 0.391 4.741 4.350 -0.000 0.000 0.276 380 E C -0.725 175.879 176.600 0.007 0.000 0.953 380 E CA -1.216 55.221 56.400 0.062 0.000 0.787 380 E CB 1.809 31.530 29.700 0.034 0.000 1.307 380 E HN 0.617 nan 8.360 nan 0.000 0.458 381 N N 0.259 118.951 118.700 -0.013 0.000 2.530 381 N HA 0.197 4.937 4.740 -0.000 0.000 0.277 381 N C -0.036 175.401 175.510 -0.121 0.000 1.168 381 N CA -0.064 52.938 53.050 -0.080 0.000 0.979 381 N CB 1.723 40.136 38.487 -0.124 0.000 1.141 381 N HN 0.543 nan 8.380 nan 0.000 0.459 382 A N 2.047 124.791 122.820 -0.126 0.000 1.984 382 A HA 0.234 4.554 4.320 -0.000 0.000 0.214 382 A C 0.942 178.452 177.584 -0.124 0.000 1.173 382 A CA 0.463 52.435 52.037 -0.107 0.000 0.673 382 A CB 0.027 18.983 19.000 -0.073 0.000 0.830 382 A HN 0.650 nan 8.150 nan 0.000 0.453 383 L N -1.073 120.048 121.223 -0.169 0.000 2.327 383 L HA 0.418 4.758 4.340 -0.000 0.000 0.258 383 L C -2.768 173.947 176.870 -0.259 0.000 1.024 383 L CA -2.632 52.098 54.840 -0.183 0.000 0.825 383 L CB 2.158 44.112 42.059 -0.175 0.000 1.386 383 L HN -0.153 nan 8.230 nan 0.000 0.417 384 P HA 0.217 nan 4.420 nan 0.000 0.271 384 P C -1.186 175.819 177.300 -0.492 0.000 1.226 384 P CA -0.117 62.740 63.100 -0.405 0.000 0.765 384 P CB 0.531 32.062 31.700 -0.282 0.000 0.835 385 R N 2.791 122.912 120.500 -0.632 0.000 2.744 385 R HA 0.368 4.707 4.340 -0.000 0.000 0.279 385 R C -0.368 175.456 176.300 -0.793 0.000 0.977 385 R CA -0.551 55.195 56.100 -0.590 0.000 0.906 385 R CB 1.448 31.491 30.300 -0.428 0.000 1.197 385 R HN 0.446 nan 8.270 nan 0.000 0.463 386 Y N -0.736 119.472 120.300 -0.154 0.000 2.626 386 Y HA 0.120 4.669 4.550 -0.001 0.000 0.248 386 Y C 0.393 176.187 175.900 -0.177 0.000 1.147 386 Y CA -0.674 57.372 58.100 -0.089 0.000 1.219 386 Y CB 0.804 39.297 38.460 0.054 0.000 1.279 386 Y HN 0.463 nan 8.280 nan 0.000 0.541 387 D N -0.271 119.990 120.400 -0.232 0.000 2.268 387 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 387 D C 1.066 177.267 176.300 -0.166 0.000 1.008 387 D CA -0.126 53.807 54.000 -0.111 0.000 0.939 387 D CB 2.218 42.973 40.800 -0.075 0.000 1.170 387 D HN 0.034 nan 8.370 nan 0.000 0.468 388 A N 1.416 124.254 122.820 0.030 0.000 2.024 388 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 388 A C 2.077 179.679 177.584 0.030 0.000 1.164 388 A CA 1.714 53.817 52.037 0.109 0.000 0.643 388 A CB -0.822 18.237 19.000 0.097 0.000 0.806 388 A HN 0.690 nan 8.150 nan 0.000 0.451 389 T N 0.001 114.530 114.554 -0.042 0.000 2.643 389 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 389 T C 2.299 176.948 174.700 -0.085 0.000 1.045 389 T CA 1.797 63.868 62.100 -0.048 0.000 1.155 389 T CB -0.536 68.301 68.868 -0.051 0.000 0.863 389 T HN 0.638 nan 8.240 nan 0.000 0.420 390 A N 0.871 123.572 122.820 -0.197 0.000 1.869 390 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 390 A C 2.073 179.546 177.584 -0.184 0.000 1.203 390 A CA 2.212 54.096 52.037 -0.254 0.000 0.638 390 A CB -1.387 17.328 19.000 -0.476 0.000 0.831 390 A HN 0.592 nan 8.150 nan 0.000 0.450 391 Y N 0.450 120.652 120.300 -0.162 0.000 2.165 391 Y HA -0.195 4.355 4.550 -0.001 0.000 0.286 391 Y C 2.461 178.336 175.900 -0.041 0.000 1.155 391 Y CA 1.368 59.322 58.100 -0.243 0.000 1.164 391 Y CB -0.770 37.533 38.460 -0.262 0.000 0.978 391 Y HN 0.330 nan 8.280 nan 0.000 0.513 392 N N -0.195 118.598 118.700 0.154 0.000 2.381 392 N HA -0.142 4.598 4.740 -0.000 0.000 0.182 392 N C 1.806 177.383 175.510 0.111 0.000 1.025 392 N CA 0.903 54.029 53.050 0.126 0.000 0.888 392 N CB -0.247 38.290 38.487 0.085 0.000 0.965 392 N HN 0.349 nan 8.380 nan 0.000 0.438 393 Q N 1.006 120.859 119.800 0.088 0.000 2.083 393 Q HA 0.126 4.466 4.340 -0.000 0.000 0.198 393 Q C 1.971 178.058 176.000 0.144 0.000 0.969 393 Q CA 1.001 56.863 55.803 0.099 0.000 0.838 393 Q CB -0.277 28.488 28.738 0.046 0.000 0.900 393 Q HN 0.369 nan 8.270 nan 0.000 0.436 394 I N -0.321 120.340 120.570 0.151 0.000 2.315 394 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 394 I C 1.929 178.190 176.117 0.240 0.000 1.117 394 I CA 0.779 62.207 61.300 0.213 0.000 1.404 394 I CB -0.193 37.962 38.000 0.259 0.000 1.071 394 I HN 0.181 nan 8.210 nan 0.000 0.419 395 I N 0.037 120.752 120.570 0.242 0.000 2.264 395 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 395 I C 2.437 178.602 176.117 0.080 0.000 1.111 395 I CA 1.191 62.579 61.300 0.147 0.000 1.382 395 I CB -0.289 37.780 38.000 0.114 0.000 1.060 395 I HN 0.239 nan 8.210 nan 0.000 0.418 396 L N 0.948 122.231 121.223 0.101 0.000 2.027 396 L HA -0.182 4.157 4.340 -0.000 0.000 0.206 396 L C 2.161 179.058 176.870 0.044 0.000 1.074 396 L CA 1.909 56.787 54.840 0.064 0.000 0.745 396 L CB -0.884 41.259 42.059 0.141 0.000 0.898 396 L HN 0.195 nan 8.230 nan 0.000 0.433 397 N N 0.261 119.084 118.700 0.205 0.000 2.205 397 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 397 N C 1.788 177.413 175.510 0.191 0.000 1.015 397 N CA 1.476 54.708 53.050 0.303 0.000 0.862 397 N CB -0.424 38.280 38.487 0.363 0.000 0.986 397 N HN 0.570 nan 8.380 nan 0.000 0.429 398 A N 0.524 123.424 122.820 0.134 0.000 1.898 398 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 398 A C 0.811 178.418 177.584 0.039 0.000 1.181 398 A CA 1.218 53.326 52.037 0.119 0.000 0.620 398 A CB 0.073 19.116 19.000 0.072 0.000 0.819 398 A HN 0.207 nan 8.150 nan 0.000 0.442 399 K N -0.763 119.596 120.400 -0.067 0.000 2.827 399 K HA 0.271 4.591 4.320 -0.000 0.000 0.186 399 K C -2.531 173.895 176.600 -0.291 0.000 1.093 399 K CA -1.610 54.572 56.287 -0.175 0.000 0.993 399 K CB 1.792 34.206 32.500 -0.144 0.000 1.199 399 K HN 0.040 nan 8.250 nan 0.000 0.598 400 P HA -0.195 nan 4.420 nan 0.000 0.217 400 P C 0.382 177.389 177.300 -0.488 0.000 1.148 400 P CA 1.281 63.875 63.100 -0.843 0.000 0.828 400 P CB 0.284 30.961 31.700 -1.705 0.000 0.783 401 Q N -0.970 118.611 119.800 -0.365 0.000 2.189 401 Q HA 0.386 4.726 4.340 -0.000 0.000 0.221 401 Q C 0.702 176.608 176.000 -0.157 0.000 0.848 401 Q CA -0.022 55.651 55.803 -0.216 0.000 1.007 401 Q CB 0.340 28.955 28.738 -0.205 0.000 1.116 401 Q HN 0.143 nan 8.270 nan 0.000 0.481 402 G N 0.130 108.836 108.800 -0.156 0.000 2.782 402 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.228 402 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.228 402 G C -0.438 174.392 174.900 -0.116 0.000 1.372 402 G CA -0.722 44.311 45.100 -0.112 0.000 0.862 402 G HN 0.107 nan 8.290 nan 0.000 0.547 403 V N 1.122 120.981 119.914 -0.090 0.000 2.732 403 V HA 0.466 4.585 4.120 -0.000 0.000 0.297 403 V C 0.634 176.682 176.094 -0.076 0.000 1.060 403 V CA -0.147 62.103 62.300 -0.084 0.000 1.038 403 V CB 1.654 33.435 31.823 -0.070 0.000 1.003 403 V HN 0.888 nan 8.190 nan 0.000 0.481 404 N N 2.808 121.464 118.700 -0.073 0.000 2.444 404 N HA 0.246 4.986 4.740 -0.000 0.000 0.262 404 N C 0.454 175.934 175.510 -0.049 0.000 0.974 404 N CA -0.402 52.610 53.050 -0.063 0.000 0.933 404 N CB 0.910 39.355 38.487 -0.069 0.000 1.137 404 N HN 0.567 nan 8.380 nan 0.000 0.498 405 N N 1.981 120.656 118.700 -0.043 0.000 2.512 405 N HA -0.023 4.717 4.740 -0.000 0.000 0.183 405 N C -0.411 175.079 175.510 -0.032 0.000 1.073 405 N CA 0.620 53.649 53.050 -0.036 0.000 0.911 405 N CB 0.027 38.495 38.487 -0.032 0.000 0.964 405 N HN 0.593 nan 8.380 nan 0.000 0.447 406 N N -0.096 118.584 118.700 -0.033 0.000 2.642 406 N HA 0.367 5.107 4.740 -0.000 0.000 0.308 406 N C -0.151 175.341 175.510 -0.031 0.000 1.914 406 N CA -0.334 52.698 53.050 -0.029 0.000 0.893 406 N CB 1.178 39.649 38.487 -0.026 0.000 1.322 406 N HN 0.161 nan 8.380 nan 0.000 0.490 407 G N 1.167 109.947 108.800 -0.033 0.000 2.368 407 G HA2 0.099 4.059 3.960 -0.000 0.000 0.302 407 G HA3 0.099 4.059 3.960 -0.000 0.000 0.302 407 G C -3.552 171.325 174.900 -0.038 0.000 1.329 407 G CA -0.820 44.260 45.100 -0.033 0.000 0.935 407 G HN -0.017 nan 8.290 nan 0.000 0.590 408 P HA 0.400 nan 4.420 nan 0.000 0.277 408 P C -2.574 174.683 177.300 -0.073 0.000 1.240 408 P CA -1.319 61.758 63.100 -0.039 0.000 0.798 408 P CB 0.291 31.973 31.700 -0.029 0.000 0.979 409 P HA 0.123 nan 4.420 nan 0.000 0.272 409 P C 0.841 178.021 177.300 -0.201 0.000 1.223 409 P CA -0.184 62.828 63.100 -0.148 0.000 0.784 409 P CB 0.695 32.292 31.700 -0.171 0.000 0.923 410 K N 0.900 121.156 120.400 -0.240 0.000 2.217 410 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 410 K C -0.148 176.151 176.600 -0.501 0.000 1.051 410 K CA 0.953 57.059 56.287 -0.301 0.000 0.952 410 K CB 0.004 32.346 32.500 -0.263 0.000 0.736 410 K HN 0.244 nan 8.250 nan 0.000 0.453 411 L N 0.728 121.591 121.223 -0.601 0.000 2.385 411 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 411 L C -1.019 175.416 176.870 -0.727 0.000 0.990 411 L CA -0.390 53.841 54.840 -1.015 0.000 0.821 411 L CB 1.751 43.015 42.059 -1.326 0.000 1.279 411 L HN 0.156 nan 8.230 nan 0.000 0.412 412 S N 2.773 118.121 115.700 -0.587 0.000 2.537 412 S HA 0.719 5.188 4.470 -0.000 0.000 0.271 412 S C -0.652 174.114 174.600 0.276 0.000 1.148 412 S CA -0.968 57.162 58.200 -0.116 0.000 0.868 412 S CB 1.206 64.374 63.200 -0.053 0.000 1.115 412 S HN 0.421 nan 8.310 nan 0.000 0.461 413 M N 1.881 121.721 119.600 0.400 0.000 2.228 413 M HA 0.360 4.840 4.480 -0.000 0.000 0.326 413 M C 0.315 176.865 176.300 0.417 0.000 1.122 413 M CA -0.317 55.260 55.300 0.462 0.000 1.161 413 M CB 0.312 33.123 32.600 0.353 0.000 1.437 413 M HN 0.874 nan 8.290 nan 0.000 0.465 414 F N 0.240 120.357 119.950 0.278 0.000 2.569 414 F HA 0.355 4.882 4.527 -0.001 0.000 0.295 414 F C 0.769 176.826 175.800 0.429 0.000 1.115 414 F CA 0.631 58.815 58.000 0.306 0.000 1.450 414 F CB 0.514 39.612 39.000 0.163 0.000 1.107 414 F HN 0.528 nan 8.300 nan 0.000 0.563 415 G N -0.387 108.641 108.800 0.380 0.000 2.355 415 G HA2 0.457 4.417 3.960 -0.000 0.000 0.296 415 G HA3 0.457 4.417 3.960 -0.000 0.000 0.296 415 G C -2.328 172.770 174.900 0.330 0.000 1.507 415 G CA -0.596 44.717 45.100 0.355 0.000 0.823 415 G HN -0.046 nan 8.290 nan 0.000 0.569 416 V N 0.380 120.493 119.914 0.333 0.000 2.623 416 V HA 0.651 4.771 4.120 -0.000 0.000 0.304 416 V C -0.275 176.064 176.094 0.409 0.000 1.054 416 V CA -0.635 61.858 62.300 0.322 0.000 0.882 416 V CB 2.185 34.183 31.823 0.292 0.000 1.002 416 V HN 0.883 nan 8.190 nan 0.000 0.424 417 T N 5.017 119.789 114.554 0.364 0.000 2.801 417 T HA 0.372 4.722 4.350 -0.000 0.000 0.306 417 T C -0.475 174.427 174.700 0.336 0.000 1.020 417 T CA -0.122 62.203 62.100 0.375 0.000 0.948 417 T CB 0.170 69.191 68.868 0.255 0.000 0.962 417 T HN 0.509 nan 8.240 nan 0.000 0.465 418 Y N 3.464 123.942 120.300 0.296 0.000 2.511 418 Y HA 0.278 4.828 4.550 -0.000 0.000 0.347 418 Y C 0.139 176.139 175.900 0.167 0.000 1.257 418 Y CA -0.977 57.286 58.100 0.271 0.000 1.469 418 Y CB 0.447 39.170 38.460 0.438 0.000 1.353 418 Y HN 0.528 nan 8.280 nan 0.000 0.617 419 L N 7.115 127.867 121.223 -0.785 0.000 2.328 419 L HA 0.367 4.706 4.340 -0.000 0.000 0.280 419 L C -0.345 176.241 176.870 -0.474 0.000 1.111 419 L CA 0.095 54.619 54.840 -0.526 0.000 0.909 419 L CB -0.676 41.091 42.059 -0.487 0.000 1.277 419 L HN 0.832 nan 8.230 nan 0.000 0.433 420 R N 2.669 123.106 120.500 -0.105 0.000 1.008 420 R HA -0.181 4.159 4.340 -0.000 0.000 0.429 420 R C -1.438 174.947 176.300 0.142 0.000 1.364 420 R CA 0.652 56.772 56.100 0.034 0.000 1.225 420 R CB -0.273 30.033 30.300 0.010 0.000 3.501 420 R HN 0.657 nan 8.270 nan 0.000 0.510 421 L N 3.571 124.882 121.223 0.147 0.000 2.283 421 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 421 L C -0.452 176.477 176.870 0.098 0.000 1.033 421 L CA 0.428 55.349 54.840 0.135 0.000 0.848 421 L CB 1.536 43.663 42.059 0.115 0.000 1.226 421 L HN 0.602 nan 8.230 nan 0.000 0.429 422 S N 1.305 117.068 115.700 0.105 0.000 2.759 422 S HA 0.516 4.986 4.470 -0.000 0.000 0.310 422 S C 0.392 175.008 174.600 0.026 0.000 1.123 422 S CA -0.699 57.545 58.200 0.073 0.000 0.959 422 S CB 1.172 64.434 63.200 0.104 0.000 1.172 422 S HN 0.582 nan 8.310 nan 0.000 0.539 423 D N 1.076 121.476 120.400 0.000 0.000 2.144 423 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 423 D C 1.089 177.348 176.300 -0.068 0.000 0.984 423 D CA 1.317 55.291 54.000 -0.044 0.000 0.834 423 D CB -0.364 40.413 40.800 -0.039 0.000 0.955 423 D HN 0.555 nan 8.370 nan 0.000 0.465 424 D N 0.834 121.201 120.400 -0.055 0.000 2.123 424 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 424 D C 2.289 178.470 176.300 -0.199 0.000 0.992 424 D CA 0.448 54.349 54.000 -0.166 0.000 0.833 424 D CB -0.362 40.311 40.800 -0.211 0.000 0.954 424 D HN 0.202 nan 8.370 nan 0.000 0.455 425 L N 0.443 121.679 121.223 0.022 0.000 2.083 425 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 425 L C 1.793 178.694 176.870 0.052 0.000 1.083 425 L CA 1.280 56.203 54.840 0.138 0.000 0.752 425 L CB -0.242 41.961 42.059 0.240 0.000 0.899 425 L HN -0.068 nan 8.230 nan 0.000 0.433 426 L N 0.006 121.160 121.223 -0.114 0.000 2.552 426 L HA 0.074 4.414 4.340 -0.000 0.000 0.227 426 L C 1.224 177.955 176.870 -0.232 0.000 1.146 426 L CA 0.683 55.305 54.840 -0.365 0.000 0.858 426 L CB -1.604 40.207 42.059 -0.413 0.000 0.969 426 L HN 0.514 nan 8.230 nan 0.000 0.451 427 Q N 1.170 120.900 119.800 -0.117 0.000 2.386 427 Q HA -0.125 4.215 4.340 -0.000 0.000 0.282 427 Q C 1.343 177.343 176.000 -0.000 0.000 1.050 427 Q CA 0.178 55.934 55.803 -0.078 0.000 0.918 427 Q CB 0.841 29.523 28.738 -0.094 0.000 1.266 427 Q HN 0.164 nan 8.270 nan 0.000 0.423 428 K N 2.683 123.088 120.400 0.008 0.000 2.015 428 K HA -0.224 4.095 4.320 -0.000 0.000 0.216 428 K C 1.547 178.205 176.600 0.096 0.000 1.052 428 K CA 2.520 58.844 56.287 0.061 0.000 0.937 428 K CB -0.337 32.186 32.500 0.039 0.000 0.719 428 K HN 0.702 nan 8.250 nan 0.000 0.446 429 S N 1.317 117.051 115.700 0.058 0.000 2.368 429 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 429 S C 1.727 176.390 174.600 0.105 0.000 1.029 429 S CA 1.110 59.351 58.200 0.069 0.000 0.988 429 S CB -0.476 62.749 63.200 0.042 0.000 0.838 429 S HN 0.358 nan 8.310 nan 0.000 0.462 430 N N 1.479 120.230 118.700 0.084 0.000 2.036 430 N HA -0.079 4.661 4.740 -0.000 0.000 0.195 430 N C 1.354 177.029 175.510 0.276 0.000 1.037 430 N CA 1.163 54.296 53.050 0.139 0.000 0.855 430 N CB -0.747 37.724 38.487 -0.026 0.000 1.033 430 N HN 0.322 nan 8.380 nan 0.000 0.423 431 F N 2.076 122.065 119.950 0.066 0.000 2.161 431 F HA -0.090 4.437 4.527 0.000 0.000 0.300 431 F C 2.154 178.033 175.800 0.132 0.000 1.089 431 F CA 1.111 59.173 58.000 0.104 0.000 1.282 431 F CB -0.426 38.601 39.000 0.046 0.000 1.010 431 F HN 0.137 nan 8.300 nan 0.000 0.485 432 N N 0.371 119.176 118.700 0.174 0.000 2.223 432 N HA -0.175 4.564 4.740 -0.000 0.000 0.185 432 N C 1.915 177.424 175.510 -0.000 0.000 1.016 432 N CA 1.604 54.684 53.050 0.050 0.000 0.863 432 N CB -0.117 38.413 38.487 0.071 0.000 0.983 432 N HN 0.309 nan 8.380 nan 0.000 0.429 433 I N -0.092 120.527 120.570 0.081 0.000 2.286 433 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 433 I C 2.085 178.157 176.117 -0.075 0.000 1.104 433 I CA 0.555 61.903 61.300 0.080 0.000 1.397 433 I CB -0.362 37.783 38.000 0.242 0.000 1.072 433 I HN -0.004 nan 8.210 nan 0.000 0.417 434 F N 2.232 122.051 119.950 -0.218 0.000 2.087 434 F HA -0.304 4.223 4.527 0.001 0.000 0.299 434 F C 2.431 177.954 175.800 -0.462 0.000 1.100 434 F CA 1.856 59.585 58.000 -0.452 0.000 1.226 434 F CB -0.338 38.456 39.000 -0.343 0.000 0.983 434 F HN -0.118 nan 8.300 nan 0.000 0.479 435 K N -0.118 119.997 120.400 -0.475 0.000 2.103 435 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 435 K C 2.027 178.347 176.600 -0.466 0.000 1.048 435 K CA 1.910 57.884 56.287 -0.521 0.000 0.930 435 K CB -0.205 32.073 32.500 -0.369 0.000 0.716 435 K HN 0.249 nan 8.250 nan 0.000 0.444 436 K N 0.142 120.337 120.400 -0.342 0.000 2.103 436 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 436 K C 1.812 178.201 176.600 -0.352 0.000 1.052 436 K CA 1.034 57.152 56.287 -0.281 0.000 0.945 436 K CB -0.231 32.174 32.500 -0.159 0.000 0.722 436 K HN 0.069 nan 8.250 nan 0.000 0.443 437 F N 1.199 120.744 119.950 -0.675 0.000 2.126 437 F HA -0.241 4.286 4.527 -0.001 0.000 0.299 437 F C 1.658 176.994 175.800 -0.773 0.000 1.096 437 F CA 1.250 58.783 58.000 -0.778 0.000 1.255 437 F CB -0.516 37.684 39.000 -1.334 0.000 0.997 437 F HN -0.252 nan 8.300 nan 0.000 0.479 438 V N 0.817 120.044 119.914 -1.144 0.000 2.295 438 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 438 V C 2.480 177.942 176.094 -1.053 0.000 1.049 438 V CA 1.836 63.355 62.300 -1.301 0.000 1.024 438 V CB -0.959 30.214 31.823 -1.083 0.000 0.648 438 V HN 0.525 nan 8.190 nan 0.000 0.447 439 L N 0.261 121.083 121.223 -0.668 0.000 2.042 439 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 439 L C 2.403 179.028 176.870 -0.408 0.000 1.076 439 L CA 2.032 56.607 54.840 -0.441 0.000 0.749 439 L CB -0.703 41.193 42.059 -0.273 0.000 0.893 439 L HN 0.155 nan 8.230 nan 0.000 0.432 440 K N -0.922 119.235 120.400 -0.405 0.000 2.155 440 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 440 K C 2.050 178.431 176.600 -0.365 0.000 1.052 440 K CA 1.108 57.214 56.287 -0.301 0.000 0.948 440 K CB -0.393 31.990 32.500 -0.195 0.000 0.728 440 K HN 0.360 nan 8.250 nan 0.000 0.448 441 M N 0.383 119.628 119.600 -0.591 0.000 2.149 441 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 441 M C 1.505 177.479 176.300 -0.543 0.000 1.064 441 M CA 1.723 56.653 55.300 -0.617 0.000 1.102 441 M CB -1.132 30.904 32.600 -0.940 0.000 1.369 441 M HN 0.301 nan 8.290 nan 0.000 0.408 442 H N -0.493 118.156 119.070 -0.701 0.000 2.533 442 H HA 0.334 4.890 4.556 -0.000 0.000 0.271 442 H C 0.842 175.933 175.328 -0.396 0.000 1.000 442 H CA 0.053 55.582 56.048 -0.865 0.000 1.149 442 H CB 0.113 29.354 29.762 -0.868 0.000 1.375 442 H HN 0.499 nan 8.280 nan 0.000 0.582 443 A N 1.528 124.223 122.820 -0.209 0.000 2.869 443 A HA -0.272 4.048 4.320 -0.000 0.000 0.280 443 A C 0.474 178.004 177.584 -0.089 0.000 1.458 443 A CA 0.774 52.734 52.037 -0.129 0.000 0.776 443 A CB -2.002 16.943 19.000 -0.091 0.000 1.028 443 A HN 0.697 nan 8.150 nan 0.000 0.547 444 D N -2.525 117.811 120.400 -0.106 0.000 3.028 444 D HA -0.158 4.482 4.640 -0.000 0.000 0.207 444 D C 0.300 176.578 176.300 -0.036 0.000 1.100 444 D CA 1.989 55.944 54.000 -0.076 0.000 0.995 444 D CB -0.668 40.095 40.800 -0.063 0.000 1.108 444 D HN 0.905 nan 8.370 nan 0.000 0.421 445 Q N 0.520 120.319 119.800 -0.003 0.000 2.193 445 Q HA 0.363 4.703 4.340 -0.000 0.000 0.246 445 Q C 0.287 176.327 176.000 0.067 0.000 0.959 445 Q CA -0.396 55.428 55.803 0.034 0.000 0.904 445 Q CB 0.963 29.743 28.738 0.069 0.000 1.238 445 Q HN 0.084 nan 8.270 nan 0.000 0.469 446 D N 0.464 120.894 120.400 0.050 0.000 2.360 446 D HA 0.019 4.659 4.640 -0.000 0.000 0.242 446 D C -0.208 176.170 176.300 0.128 0.000 1.184 446 D CA -0.111 53.940 54.000 0.085 0.000 0.930 446 D CB 0.234 41.066 40.800 0.053 0.000 1.161 446 D HN 0.353 nan 8.370 nan 0.000 0.447 447 Y N 0.506 120.838 120.300 0.053 0.000 2.811 447 Y HA 0.023 4.573 4.550 0.000 0.000 0.334 447 Y C -0.251 175.615 175.900 -0.058 0.000 1.247 447 Y CA -0.366 57.740 58.100 0.010 0.000 1.526 447 Y CB 0.418 38.904 38.460 0.045 0.000 1.284 447 Y HN 0.270 nan 8.280 nan 0.000 0.586 448 C N 7.989 126.679 119.300 -1.017 0.000 2.321 448 C HA 0.697 5.157 4.460 -0.000 0.000 0.323 448 C C 1.204 175.588 174.990 -1.011 0.000 1.191 448 C CA -0.124 58.364 59.018 -0.884 0.000 1.455 448 C CB -0.974 26.277 27.740 -0.815 0.000 2.083 448 C HN 1.103 nan 8.230 nan 0.000 0.442 449 A N 4.500 126.796 122.820 -0.872 0.000 1.969 449 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 449 A C 1.086 178.516 177.584 -0.256 0.000 1.169 449 A CA 1.323 53.074 52.037 -0.478 0.000 0.635 449 A CB -0.293 18.632 19.000 -0.125 0.000 0.810 449 A HN 0.825 nan 8.150 nan 0.000 0.445 450 N N -0.279 118.246 118.700 -0.292 0.000 2.485 450 N HA 0.323 5.062 4.740 -0.000 0.000 0.243 450 N C -2.433 172.799 175.510 -0.463 0.000 0.987 450 N CA -2.466 50.421 53.050 -0.273 0.000 0.940 450 N CB 1.479 39.842 38.487 -0.206 0.000 1.122 450 N HN -0.085 nan 8.380 nan 0.000 0.509 451 P HA -0.074 nan 4.420 nan 0.000 0.233 451 P C 0.955 177.715 177.300 -0.901 0.000 1.167 451 P CA 0.686 63.122 63.100 -1.107 0.000 0.770 451 P CB 0.362 31.674 31.700 -0.647 0.000 0.837 452 Q N 0.852 120.373 119.800 -0.465 0.000 2.224 452 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 452 Q C 1.620 177.441 176.000 -0.299 0.000 0.970 452 Q CA 1.270 56.898 55.803 -0.292 0.000 0.865 452 Q CB -0.190 28.440 28.738 -0.180 0.000 0.922 452 Q HN 0.203 nan 8.270 nan 0.000 0.445 453 K N 0.045 120.223 120.400 -0.371 0.000 2.211 453 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 453 K C 0.734 177.225 176.600 -0.182 0.000 1.050 453 K CA 1.220 57.358 56.287 -0.248 0.000 0.945 453 K CB 0.002 32.367 32.500 -0.224 0.000 0.732 453 K HN 0.438 nan 8.250 nan 0.000 0.451 454 Y N -0.807 119.355 120.300 -0.230 0.000 2.751 454 Y HA 0.360 4.910 4.550 -0.000 0.000 0.289 454 Y C -0.362 175.523 175.900 -0.025 0.000 1.110 454 Y CA -1.181 56.806 58.100 -0.189 0.000 1.251 454 Y CB -1.016 37.240 38.460 -0.338 0.000 1.178 454 Y HN 0.044 nan 8.280 nan 0.000 0.540 455 N N 1.542 120.225 118.700 -0.027 0.000 2.754 455 N HA -0.265 4.475 4.740 -0.000 0.000 0.248 455 N C -0.628 174.996 175.510 0.189 0.000 1.093 455 N CA 0.626 53.718 53.050 0.070 0.000 0.699 455 N CB -1.028 37.527 38.487 0.113 0.000 1.016 455 N HN 0.792 nan 8.380 nan 0.000 0.552 456 H N -1.019 117.945 119.070 -0.176 0.000 2.528 456 H HA 0.286 4.842 4.556 -0.000 0.000 0.256 456 H C 0.437 175.700 175.328 -0.109 0.000 1.204 456 H CA -0.013 55.981 56.048 -0.090 0.000 0.955 456 H CB 0.499 30.146 29.762 -0.191 0.000 1.817 456 H HN 0.337 nan 8.280 nan 0.000 0.579 457 A N 1.589 124.410 122.820 0.002 0.000 2.462 457 A HA 0.310 4.629 4.320 -0.000 0.000 0.243 457 A C 0.374 177.976 177.584 0.029 0.000 1.076 457 A CA 0.016 52.040 52.037 -0.022 0.000 0.773 457 A CB 0.202 19.182 19.000 -0.035 0.000 1.010 457 A HN 0.429 nan 8.150 nan 0.000 0.493 458 I N 1.581 122.166 120.570 0.025 0.000 2.412 458 I HA 0.370 4.540 4.170 -0.000 0.000 0.296 458 I C 0.297 176.424 176.117 0.016 0.000 0.987 458 I CA -0.297 61.028 61.300 0.042 0.000 1.180 458 I CB 1.930 39.969 38.000 0.065 0.000 1.340 458 I HN 0.561 nan 8.210 nan 0.000 0.455 459 T N 5.506 120.066 114.554 0.010 0.000 2.949 459 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 459 T C -2.589 172.113 174.700 0.002 0.000 1.034 459 T CA -1.433 60.665 62.100 -0.003 0.000 1.018 459 T CB 1.897 70.753 68.868 -0.020 0.000 1.135 459 T HN 0.308 nan 8.240 nan 0.000 0.532 460 P HA 0.174 nan 4.420 nan 0.000 0.271 460 P C -0.180 177.124 177.300 0.008 0.000 1.220 460 P CA -0.397 62.711 63.100 0.014 0.000 0.768 460 P CB 0.286 31.993 31.700 0.010 0.000 0.848 461 L N 4.133 125.376 121.223 0.034 0.000 2.540 461 L HA -0.019 4.321 4.340 -0.000 0.000 0.276 461 L C 1.053 177.944 176.870 0.034 0.000 1.212 461 L CA 0.584 55.450 54.840 0.043 0.000 0.893 461 L CB 0.248 42.369 42.059 0.103 0.000 1.138 461 L HN 0.327 nan 8.230 nan 0.000 0.491 462 K N 4.902 125.303 120.400 0.003 0.000 2.109 462 K HA 0.504 4.824 4.320 -0.000 0.000 0.243 462 K C -2.323 174.343 176.600 0.110 0.000 1.006 462 K CA -1.931 54.366 56.287 0.016 0.000 0.917 462 K CB 0.169 32.625 32.500 -0.074 0.000 1.081 462 K HN 0.309 nan 8.250 nan 0.000 0.468 463 P HA 0.130 nan 4.420 nan 0.000 0.274 463 P C -0.433 176.975 177.300 0.181 0.000 1.231 463 P CA -0.088 63.085 63.100 0.123 0.000 0.790 463 P CB 0.532 32.279 31.700 0.078 0.000 0.951 464 S N 0.624 116.400 115.700 0.126 0.000 2.576 464 S HA 0.343 4.813 4.470 -0.000 0.000 0.272 464 S C 0.567 175.148 174.600 -0.033 0.000 1.352 464 S CA -0.316 57.883 58.200 -0.002 0.000 1.021 464 S CB 0.126 63.268 63.200 -0.096 0.000 0.887 464 S HN 0.582 nan 8.310 nan 0.000 0.542 465 A N 3.050 125.781 122.820 -0.147 0.000 2.327 465 A HA 0.541 4.861 4.320 -0.000 0.000 0.255 465 A C -2.389 175.115 177.584 -0.133 0.000 1.099 465 A CA -1.354 50.623 52.037 -0.100 0.000 0.801 465 A CB -0.752 18.189 19.000 -0.099 0.000 1.062 465 A HN 0.517 nan 8.150 nan 0.000 0.496 466 P HA 0.075 nan 4.420 nan 0.000 0.269 466 P C -0.450 176.796 177.300 -0.090 0.000 1.215 466 P CA -0.336 62.724 63.100 -0.067 0.000 0.780 466 P CB 0.335 32.014 31.700 -0.036 0.000 0.898 467 K N 2.387 122.747 120.400 -0.066 0.000 2.491 467 K HA 0.066 4.386 4.320 -0.000 0.000 0.279 467 K C 0.123 176.696 176.600 -0.046 0.000 1.026 467 K CA 0.464 56.718 56.287 -0.055 0.000 1.070 467 K CB -0.313 32.174 32.500 -0.021 0.000 0.887 467 K HN 0.435 nan 8.250 nan 0.000 0.481 468 I N 7.319 127.859 120.570 -0.050 0.000 2.325 468 I HA 0.132 4.301 4.170 -0.000 0.000 0.291 468 I C -1.765 174.343 176.117 -0.015 0.000 1.019 468 I CA -2.130 59.150 61.300 -0.034 0.000 1.302 468 I CB 1.151 39.126 38.000 -0.041 0.000 1.401 468 I HN 0.330 nan 8.210 nan 0.000 0.485 469 P HA 0.115 nan 4.420 nan 0.000 0.271 469 P C 0.895 178.198 177.300 0.006 0.000 1.218 469 P CA -0.364 62.738 63.100 0.004 0.000 0.780 469 P CB 1.008 32.713 31.700 0.008 0.000 0.901 470 I N 2.341 122.918 120.570 0.012 0.000 2.147 470 I HA -0.366 3.803 4.170 -0.000 0.000 0.245 470 I C 1.764 177.887 176.117 0.011 0.000 1.059 470 I CA 1.990 63.297 61.300 0.013 0.000 1.320 470 I CB -0.520 37.491 38.000 0.019 0.000 1.021 470 I HN 0.410 nan 8.210 nan 0.000 0.415 471 E N -0.491 119.718 120.200 0.015 0.000 2.070 471 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 471 E C 2.225 178.829 176.600 0.007 0.000 1.004 471 E CA 2.047 58.455 56.400 0.014 0.000 0.805 471 E CB -0.537 29.174 29.700 0.017 0.000 0.744 471 E HN 0.443 nan 8.360 nan 0.000 0.451 472 V N 0.727 120.643 119.914 0.004 0.000 2.358 472 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 472 V C 2.226 178.318 176.094 -0.003 0.000 1.047 472 V CA 1.348 63.647 62.300 -0.000 0.000 1.035 472 V CB -0.458 31.363 31.823 -0.002 0.000 0.658 472 V HN 0.238 nan 8.190 nan 0.000 0.452 473 L N -0.755 120.467 121.223 -0.003 0.000 2.012 473 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 473 L C 2.360 179.225 176.870 -0.008 0.000 1.073 473 L CA 1.202 56.039 54.840 -0.005 0.000 0.748 473 L CB -0.562 41.496 42.059 -0.001 0.000 0.891 473 L HN 0.292 nan 8.230 nan 0.000 0.431 474 L N -0.240 120.979 121.223 -0.007 0.000 2.362 474 L HA -0.160 4.180 4.340 -0.000 0.000 0.219 474 L C 2.400 179.258 176.870 -0.020 0.000 1.134 474 L CA 1.401 56.233 54.840 -0.014 0.000 0.807 474 L CB -1.056 40.999 42.059 -0.006 0.000 0.927 474 L HN 0.315 nan 8.230 nan 0.000 0.447 475 E N -0.235 119.958 120.200 -0.012 0.000 2.160 475 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 475 E C 1.973 178.561 176.600 -0.020 0.000 0.991 475 E CA 1.095 57.486 56.400 -0.014 0.000 0.810 475 E CB -0.154 29.542 29.700 -0.007 0.000 0.742 475 E HN 0.490 nan 8.360 nan 0.000 0.466 476 A N 1.349 124.158 122.820 -0.019 0.000 2.239 476 A HA -0.071 4.249 4.320 -0.000 0.000 0.209 476 A C 2.153 179.716 177.584 -0.035 0.000 1.171 476 A CA 1.211 53.236 52.037 -0.020 0.000 0.768 476 A CB -0.755 18.238 19.000 -0.012 0.000 0.790 476 A HN 0.338 nan 8.150 nan 0.000 0.478 477 T N -2.390 112.134 114.554 -0.050 0.000 3.055 477 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 477 T C 0.886 175.543 174.700 -0.073 0.000 1.111 477 T CA 0.467 62.518 62.100 -0.081 0.000 1.118 477 T CB -0.412 68.388 68.868 -0.113 0.000 0.909 477 T HN 0.413 nan 8.240 nan 0.000 0.501 478 K N 3.275 123.645 120.400 -0.050 0.000 2.466 478 K HA 0.126 4.446 4.320 -0.000 0.000 0.278 478 K C -2.547 174.029 176.600 -0.039 0.000 1.048 478 K CA -1.430 54.832 56.287 -0.041 0.000 1.088 478 K CB 0.223 32.706 32.500 -0.028 0.000 0.884 478 K HN 0.170 nan 8.250 nan 0.000 0.478 479 P HA 0.082 nan 4.420 nan 0.000 0.274 479 P C -1.130 176.151 177.300 -0.031 0.000 1.231 479 P CA -0.326 62.754 63.100 -0.034 0.000 0.790 479 P CB 1.163 32.844 31.700 -0.032 0.000 0.951 480 T N -0.910 113.625 114.554 -0.033 0.000 2.906 480 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 480 T C -0.211 174.458 174.700 -0.052 0.000 1.075 480 T CA -0.993 61.077 62.100 -0.049 0.000 1.005 480 T CB 0.595 69.422 68.868 -0.068 0.000 1.136 480 T HN 0.075 nan 8.240 nan 0.000 0.498 481 L N 2.638 123.822 121.223 -0.065 0.000 2.380 481 L HA 0.389 4.729 4.340 -0.000 0.000 0.273 481 L C -1.596 175.216 176.870 -0.097 0.000 1.138 481 L CA -1.817 52.990 54.840 -0.055 0.000 0.832 481 L CB -0.016 42.020 42.059 -0.040 0.000 1.124 481 L HN 0.540 nan 8.230 nan 0.000 0.454 482 P HA 0.092 nan 4.420 nan 0.000 0.271 482 P C -0.712 176.634 177.300 0.076 0.000 1.244 482 P CA -0.164 62.949 63.100 0.022 0.000 0.793 482 P CB 0.399 32.127 31.700 0.046 0.000 0.984 483 F N -0.042 120.106 119.950 0.330 0.000 2.380 483 F HA 0.310 4.837 4.527 -0.000 0.000 0.325 483 F C -1.449 174.601 175.800 0.418 0.000 1.136 483 F CA -1.823 56.377 58.000 0.333 0.000 1.171 483 F CB -0.485 38.726 39.000 0.352 0.000 1.230 483 F HN 0.154 nan 8.300 nan 0.000 0.554 484 P HA -0.019 nan 4.420 nan 0.000 0.271 484 P C -0.860 176.755 177.300 0.525 0.000 1.220 484 P CA -0.114 63.232 63.100 0.411 0.000 0.768 484 P CB 0.484 32.333 31.700 0.249 0.000 0.848 485 W N 2.941 124.311 121.300 0.117 0.000 2.570 485 W HA 0.266 4.926 4.660 -0.001 0.000 0.337 485 W C -0.140 176.418 176.519 0.066 0.000 1.067 485 W CA -0.828 56.576 57.345 0.098 0.000 1.229 485 W CB 1.908 31.427 29.460 0.099 0.000 1.355 485 W HN 0.182 nan 8.180 nan 0.000 0.555 486 L N 4.455 125.795 121.223 0.195 0.000 2.476 486 L HA 0.092 4.432 4.340 -0.000 0.000 0.255 486 L C -1.134 175.858 176.870 0.204 0.000 1.218 486 L CA -1.064 53.859 54.840 0.139 0.000 0.819 486 L CB -0.016 42.071 42.059 0.046 0.000 1.119 486 L HN 0.239 nan 8.230 nan 0.000 0.485 487 P HA 0.083 nan 4.420 nan 0.000 0.238 487 P C -0.413 176.954 177.300 0.111 0.000 1.183 487 P CA 0.541 63.718 63.100 0.129 0.000 0.813 487 P CB 0.793 32.545 31.700 0.087 0.000 0.944 488 E N -1.358 118.896 120.200 0.089 0.000 2.343 488 E HA 0.257 4.606 4.350 -0.000 0.000 0.278 488 E C -0.849 175.782 176.600 0.051 0.000 0.910 488 E CA -0.538 55.904 56.400 0.070 0.000 0.757 488 E CB 2.487 32.216 29.700 0.048 0.000 1.218 488 E HN -0.272 nan 8.360 nan 0.000 0.435 489 T N 0.637 115.219 114.554 0.046 0.000 2.900 489 T HA -0.019 4.331 4.350 -0.000 0.000 0.307 489 T C 0.902 175.604 174.700 0.003 0.000 1.065 489 T CA -0.116 61.994 62.100 0.017 0.000 1.105 489 T CB 0.390 69.270 68.868 0.020 0.000 0.979 489 T HN 0.526 nan 8.240 nan 0.000 0.544 490 D N 3.079 123.469 120.400 -0.016 0.000 2.355 490 D HA -0.029 4.611 4.640 -0.000 0.000 0.218 490 D C 0.552 176.837 176.300 -0.026 0.000 1.004 490 D CA 0.490 54.478 54.000 -0.020 0.000 0.880 490 D CB 0.042 40.824 40.800 -0.031 0.000 0.911 490 D HN 0.403 nan 8.370 nan 0.000 0.528 491 M N 1.205 120.788 119.600 -0.028 0.000 2.854 491 M HA 0.214 4.694 4.480 -0.000 0.000 0.203 491 M C -0.476 175.810 176.300 -0.023 0.000 1.069 491 M CA -0.304 54.972 55.300 -0.039 0.000 0.803 491 M CB 1.116 33.676 32.600 -0.068 0.000 1.380 491 M HN -0.194 nan 8.290 nan 0.000 0.494 492 K N 0.261 120.657 120.400 -0.008 0.000 2.295 492 K HA 0.221 4.541 4.320 -0.000 0.000 0.270 492 K C 1.047 177.648 176.600 0.003 0.000 1.011 492 K CA -0.294 56.000 56.287 0.011 0.000 0.953 492 K CB 2.207 34.717 32.500 0.018 0.000 0.956 492 K HN 0.135 nan 8.250 nan 0.000 0.477 493 V N 1.369 121.299 119.914 0.026 0.000 2.591 493 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 493 V C 1.034 177.139 176.094 0.019 0.000 1.053 493 V CA 1.632 63.942 62.300 0.017 0.000 1.068 493 V CB -0.255 31.611 31.823 0.071 0.000 0.689 493 V HN 0.711 nan 8.190 nan 0.000 0.462 494 D N 0.141 120.560 120.400 0.033 0.000 2.323 494 D HA 0.307 4.947 4.640 -0.000 0.000 0.239 494 D C 0.492 176.799 176.300 0.012 0.000 1.129 494 D CA 0.820 54.836 54.000 0.027 0.000 0.865 494 D CB -0.008 40.812 40.800 0.034 0.000 0.913 494 D HN 0.507 nan 8.370 nan 0.000 0.517 495 G N 0.000 108.801 108.800 0.002 0.000 5.446 495 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 495 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 495 G CA 0.000 nan 45.100 nan 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925