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 1t34_1_A DATA FIRST_RESID 1 DATA SEQUENCE SDLTVAVVLP LTNTSYPWSW ARVGPAVELA LARVKARPDL LPGWTVRMVL DATA SEQUENCE GSSENAAGVc SDTAAPLAAV DLKWEHSPAV FLGPGcVYSA APVGRFTAHW DATA SEQUENCE RVPLLTAGAP ALGIGVKDEY ALTTRTGPSH VKLGDFVTAL HRRLGWEHQA DATA SEQUENCE LVLYADRLGD DRPcFFIVEG LYMRVRERLN ITVNHQEFVE GDPDHYPKLL DATA SEQUENCE RAVRRKGRVI YIcSSPDAFR NLMLLALNAG LTGEDYVFFH LDVFGQSLKS DATA SEQUENCE AQGLVPQKPW ERGDGQDRSA RQAFQAAKII TYKEPDNPEY LEFLKQLKLL DATA SEQUENCE ADKKFNFTVE DGLKNIIPAS FHDGLLLYVQ AVTETLAQGG TVTDGENITQ DATA SEQUENCE RMWNRSFQGV TGYLKIDRNG DRDTDFSLWD MDPETGAFRV VLNYNGTSQE DATA SEQUENCE LMAVSEHKLY WPLGYPPPDV PKCGFD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.349 174.600 -0.419 0.000 1.055 1 S CA 0.000 57.772 58.200 -0.713 0.000 1.107 1 S CB 0.000 63.021 63.200 -0.299 0.000 0.593 2 D N 1.743 122.158 120.400 0.024 0.000 2.649 2 D HA 0.398 5.038 4.640 -0.000 0.000 0.249 2 D C -0.933 175.679 176.300 0.520 0.000 1.112 2 D CA -0.344 53.850 54.000 0.324 0.000 0.850 2 D CB 1.887 42.768 40.800 0.134 0.000 1.399 2 D HN 0.369 nan 8.370 nan 0.000 0.503 3 L N 1.914 123.404 121.223 0.445 0.000 2.295 3 L HA 0.241 4.581 4.340 -0.000 0.000 0.288 3 L C -0.349 176.568 176.870 0.079 0.000 1.079 3 L CA 0.046 54.969 54.840 0.138 0.000 0.830 3 L CB 0.547 42.565 42.059 -0.068 0.000 1.200 3 L HN 0.329 nan 8.230 nan 0.000 0.438 4 T N 4.157 118.736 114.554 0.042 0.000 2.794 4 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 4 T C -0.117 174.543 174.700 -0.067 0.000 0.949 4 T CA -0.337 61.752 62.100 -0.017 0.000 1.101 4 T CB 1.201 70.049 68.868 -0.033 0.000 0.905 4 T HN 0.299 nan 8.240 nan 0.000 0.516 5 V N 2.919 122.782 119.914 -0.084 0.000 2.384 5 V HA 0.640 4.760 4.120 -0.000 0.000 0.287 5 V C 0.265 176.233 176.094 -0.210 0.000 1.020 5 V CA -1.039 61.184 62.300 -0.128 0.000 0.850 5 V CB 1.330 33.131 31.823 -0.037 0.000 0.987 5 V HN 1.082 nan 8.190 nan 0.000 0.436 6 A N 5.310 127.894 122.820 -0.393 0.000 2.289 6 A HA 0.763 5.082 4.320 -0.000 0.000 0.298 6 A C -0.534 176.891 177.584 -0.265 0.000 1.208 6 A CA -0.386 51.357 52.037 -0.489 0.000 0.845 6 A CB 0.902 19.216 19.000 -1.144 0.000 1.125 6 A HN 0.663 nan 8.150 nan 0.000 0.517 7 V N 3.529 123.354 119.914 -0.149 0.000 2.384 7 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 7 V C -0.415 175.652 176.094 -0.044 0.000 1.020 7 V CA -0.404 61.848 62.300 -0.081 0.000 0.850 7 V CB 1.559 33.232 31.823 -0.249 0.000 0.987 7 V HN 0.599 nan 8.190 nan 0.000 0.436 8 V N 7.371 127.331 119.914 0.076 0.000 2.289 8 V HA 0.567 4.686 4.120 -0.000 0.000 0.272 8 V C -0.264 175.847 176.094 0.028 0.000 1.026 8 V CA -0.080 62.261 62.300 0.068 0.000 0.807 8 V CB 0.808 32.729 31.823 0.163 0.000 1.044 8 V HN 0.680 nan 8.190 nan 0.000 0.443 9 L N 4.244 125.451 121.223 -0.027 0.000 2.510 9 L HA 0.592 4.932 4.340 -0.000 0.000 0.252 9 L C -2.726 174.157 176.870 0.022 0.000 1.091 9 L CA -2.248 52.606 54.840 0.022 0.000 0.888 9 L CB 3.278 45.378 42.059 0.068 0.000 1.507 9 L HN 0.214 nan 8.230 nan 0.000 0.407 10 P HA 0.135 nan 4.420 nan 0.000 0.263 10 P C 0.316 177.696 177.300 0.133 0.000 1.247 10 P CA 0.268 63.424 63.100 0.094 0.000 0.876 10 P CB 0.101 31.875 31.700 0.123 0.000 0.928 11 L N 1.920 123.189 121.223 0.078 0.000 2.591 11 L HA 0.026 4.366 4.340 -0.000 0.000 0.228 11 L C 1.057 178.021 176.870 0.158 0.000 1.133 11 L CA 0.919 55.818 54.840 0.097 0.000 0.880 11 L CB -0.585 41.448 42.059 -0.044 0.000 1.033 11 L HN 0.366 nan 8.230 nan 0.000 0.450 12 T N -4.968 109.666 114.554 0.133 0.000 3.254 12 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 12 T C 0.809 175.576 174.700 0.111 0.000 0.946 12 T CA -0.407 61.765 62.100 0.119 0.000 0.991 12 T CB 0.066 68.990 68.868 0.094 0.000 1.205 12 T HN -0.006 nan 8.240 nan 0.000 0.494 13 N N 3.395 122.174 118.700 0.131 0.000 2.475 13 N HA 0.106 4.846 4.740 -0.000 0.000 0.267 13 N C 0.199 175.763 175.510 0.089 0.000 1.169 13 N CA 0.636 53.763 53.050 0.127 0.000 0.947 13 N CB 1.299 39.919 38.487 0.221 0.000 1.061 13 N HN 0.500 nan 8.380 nan 0.000 0.466 14 T N -0.568 113.991 114.554 0.008 0.000 3.275 14 T HA 0.122 4.472 4.350 -0.000 0.000 0.265 14 T C 1.015 175.638 174.700 -0.128 0.000 0.978 14 T CA -0.333 61.699 62.100 -0.113 0.000 0.923 14 T CB -0.548 68.236 68.868 -0.140 0.000 1.126 14 T HN 0.359 nan 8.240 nan 0.000 0.538 15 S N -0.648 114.926 115.700 -0.211 0.000 2.524 15 S HA 0.310 4.779 4.470 -0.000 0.000 0.215 15 S C -0.092 174.207 174.600 -0.501 0.000 0.986 15 S CA -0.650 57.344 58.200 -0.342 0.000 0.911 15 S CB -0.512 62.420 63.200 -0.447 0.000 0.805 15 S HN 0.588 nan 8.310 nan 0.000 0.501 16 Y N 1.874 121.943 120.300 -0.384 0.000 2.334 16 Y HA 0.446 4.995 4.550 -0.000 0.000 0.328 16 Y C -1.890 173.546 175.900 -0.774 0.000 1.130 16 Y CA -2.494 55.159 58.100 -0.745 0.000 1.163 16 Y CB 0.783 38.674 38.460 -0.949 0.000 1.207 16 Y HN -0.003 nan 8.280 nan 0.000 0.471 17 P HA -0.160 nan 4.420 nan 0.000 0.226 17 P C -0.190 177.017 177.300 -0.156 0.000 1.146 17 P CA 1.449 64.291 63.100 -0.430 0.000 0.773 17 P CB -0.136 31.273 31.700 -0.483 0.000 0.772 18 W N -3.160 118.155 121.300 0.025 0.000 2.599 18 W HA 0.533 5.193 4.660 -0.000 0.000 0.396 18 W C -0.361 176.098 176.519 -0.100 0.000 0.944 18 W CA -0.619 56.679 57.345 -0.078 0.000 2.042 18 W CB -1.234 28.209 29.460 -0.029 0.000 1.184 18 W HN -0.390 nan 8.180 nan 0.000 0.604 19 S N 1.311 116.968 115.700 -0.072 0.000 2.579 19 S HA -0.106 4.364 4.470 -0.000 0.000 0.275 19 S C 0.983 175.592 174.600 0.015 0.000 1.345 19 S CA -0.373 57.825 58.200 -0.002 0.000 1.031 19 S CB 0.727 63.858 63.200 -0.115 0.000 0.892 19 S HN 0.503 nan 8.310 nan 0.000 0.529 20 W N 2.111 123.339 121.300 -0.119 0.000 2.374 20 W HA -0.207 4.453 4.660 -0.000 0.000 0.288 20 W C 1.971 178.369 176.519 -0.202 0.000 1.218 20 W CA 1.003 58.283 57.345 -0.108 0.000 1.245 20 W CB -0.232 29.237 29.460 0.015 0.000 1.126 20 W HN 0.874 nan 8.180 nan 0.000 0.545 21 A N 0.568 123.249 122.820 -0.232 0.000 2.024 21 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 21 A C 1.998 179.158 177.584 -0.707 0.000 1.164 21 A CA 1.613 53.365 52.037 -0.474 0.000 0.643 21 A CB -0.597 18.013 19.000 -0.651 0.000 0.806 21 A HN 0.375 nan 8.150 nan 0.000 0.451 22 R N -1.776 118.365 120.500 -0.598 0.000 2.195 22 R HA 0.163 4.503 4.340 -0.000 0.000 0.197 22 R C 1.693 177.744 176.300 -0.415 0.000 0.990 22 R CA 0.795 56.629 56.100 -0.444 0.000 1.048 22 R CB 0.258 30.381 30.300 -0.296 0.000 0.997 22 R HN 0.352 nan 8.270 nan 0.000 0.502 23 V N -0.408 119.238 119.914 -0.446 0.000 2.599 23 V HA 0.023 4.143 4.120 -0.000 0.000 0.245 23 V C 2.206 177.882 176.094 -0.696 0.000 1.046 23 V CA 1.668 63.731 62.300 -0.395 0.000 1.065 23 V CB -0.104 31.510 31.823 -0.349 0.000 0.703 23 V HN 0.477 nan 8.190 nan 0.000 0.464 24 G N 1.532 109.475 108.800 -1.427 0.000 2.553 24 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 24 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 24 G C -0.223 174.018 174.900 -1.098 0.000 1.195 24 G CA 1.421 45.270 45.100 -2.085 0.000 0.779 24 G HN 0.505 nan 8.290 nan 0.000 0.577 25 P HA -0.010 nan 4.420 nan 0.000 0.217 25 P C 2.130 179.259 177.300 -0.285 0.000 1.150 25 P CA 1.967 64.675 63.100 -0.653 0.000 0.832 25 P CB -0.204 31.078 31.700 -0.696 0.000 0.787 26 A N -0.618 122.048 122.820 -0.258 0.000 1.933 26 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 26 A C 2.335 180.031 177.584 0.187 0.000 1.175 26 A CA 1.665 53.737 52.037 0.058 0.000 0.628 26 A CB -1.660 17.469 19.000 0.215 0.000 0.814 26 A HN 0.050 nan 8.150 nan 0.000 0.444 27 V N -0.122 119.833 119.914 0.068 0.000 2.379 27 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 27 V C 2.389 178.590 176.094 0.178 0.000 1.044 27 V CA 2.040 64.444 62.300 0.175 0.000 1.036 27 V CB -0.732 31.201 31.823 0.183 0.000 0.664 27 V HN 0.609 nan 8.190 nan 0.000 0.453 28 E N 0.056 120.322 120.200 0.111 0.000 2.070 28 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 28 E C 2.275 178.967 176.600 0.153 0.000 1.004 28 E CA 1.462 57.947 56.400 0.142 0.000 0.805 28 E CB -0.229 29.564 29.700 0.154 0.000 0.744 28 E HN 0.475 nan 8.360 nan 0.000 0.451 29 L N 0.282 121.594 121.223 0.148 0.000 2.079 29 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 29 L C 2.527 179.590 176.870 0.322 0.000 1.081 29 L CA 1.095 56.044 54.840 0.182 0.000 0.752 29 L CB -0.513 41.609 42.059 0.106 0.000 0.896 29 L HN 0.181 nan 8.230 nan 0.000 0.433 30 A N 0.075 123.142 122.820 0.412 0.000 1.854 30 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 30 A C 2.181 179.874 177.584 0.182 0.000 1.192 30 A CA 0.946 53.172 52.037 0.314 0.000 0.611 30 A CB -0.590 18.552 19.000 0.236 0.000 0.832 30 A HN 0.330 nan 8.150 nan 0.000 0.442 31 L N -0.593 120.733 121.223 0.172 0.000 2.127 31 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 31 L C 3.042 179.985 176.870 0.123 0.000 1.089 31 L CA 1.062 55.984 54.840 0.137 0.000 0.757 31 L CB -0.677 41.464 42.059 0.138 0.000 0.899 31 L HN 0.472 nan 8.230 nan 0.000 0.434 32 A N -0.046 122.854 122.820 0.133 0.000 1.873 32 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 32 A C 2.408 180.060 177.584 0.113 0.000 1.186 32 A CA 1.159 53.265 52.037 0.114 0.000 0.616 32 A CB -0.482 18.585 19.000 0.112 0.000 0.823 32 A HN 0.248 nan 8.150 nan 0.000 0.442 33 R N -0.534 120.052 120.500 0.143 0.000 2.193 33 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 33 R C 1.935 178.295 176.300 0.100 0.000 1.110 33 R CA 1.222 57.402 56.100 0.133 0.000 0.988 33 R CB -0.380 30.027 30.300 0.179 0.000 0.871 33 R HN 0.434 nan 8.270 nan 0.000 0.458 34 V N 0.912 120.884 119.914 0.097 0.000 2.255 34 V HA -0.209 3.911 4.120 -0.000 0.000 0.243 34 V C 2.190 178.328 176.094 0.074 0.000 1.038 34 V CA 1.468 63.816 62.300 0.080 0.000 1.008 34 V CB -0.305 31.566 31.823 0.080 0.000 0.645 34 V HN 0.211 nan 8.190 nan 0.000 0.449 35 K N 0.108 120.553 120.400 0.076 0.000 2.362 35 K HA -0.148 4.172 4.320 -0.000 0.000 0.202 35 K C 1.849 178.483 176.600 0.058 0.000 1.045 35 K CA 1.425 57.752 56.287 0.066 0.000 0.936 35 K CB -0.300 32.239 32.500 0.065 0.000 0.747 35 K HN 0.505 nan 8.250 nan 0.000 0.467 36 A N 0.649 123.505 122.820 0.061 0.000 2.195 36 A HA 0.046 4.366 4.320 -0.000 0.000 0.210 36 A C 0.636 178.250 177.584 0.049 0.000 1.165 36 A CA 0.115 52.184 52.037 0.054 0.000 0.806 36 A CB 0.302 19.337 19.000 0.059 0.000 0.847 36 A HN 0.006 nan 8.150 nan 0.000 0.482 37 R N 0.278 120.809 120.500 0.052 0.000 2.247 37 R HA 0.279 4.619 4.340 -0.000 0.000 0.329 37 R C -2.428 173.898 176.300 0.044 0.000 1.014 37 R CA -1.679 54.448 56.100 0.046 0.000 0.907 37 R CB 0.834 31.163 30.300 0.049 0.000 1.146 37 R HN 0.109 nan 8.270 nan 0.000 0.499 38 P HA -0.088 nan 4.420 nan 0.000 0.229 38 P C 0.535 177.857 177.300 0.035 0.000 1.160 38 P CA 0.789 63.911 63.100 0.036 0.000 0.777 38 P CB 0.264 31.982 31.700 0.029 0.000 0.814 39 D N -0.830 119.589 120.400 0.032 0.000 2.349 39 D HA -0.025 4.615 4.640 -0.000 0.000 0.224 39 D C 0.153 176.471 176.300 0.030 0.000 1.029 39 D CA 0.305 54.322 54.000 0.028 0.000 0.879 39 D CB -0.168 40.646 40.800 0.023 0.000 0.906 39 D HN 0.204 nan 8.370 nan 0.000 0.528 40 L N 0.572 121.816 121.223 0.036 0.000 2.333 40 L HA 0.328 4.668 4.340 -0.000 0.000 0.280 40 L C 0.285 177.181 176.870 0.043 0.000 1.004 40 L CA -0.994 53.863 54.840 0.030 0.000 0.820 40 L CB 2.125 44.204 42.059 0.032 0.000 1.247 40 L HN -0.142 nan 8.230 nan 0.000 0.416 41 L N 2.965 124.207 121.223 0.032 0.000 3.746 41 L HA -0.172 4.168 4.340 -0.000 0.000 0.542 41 L C -2.231 174.740 176.870 0.168 0.000 1.268 41 L CA -0.665 54.226 54.840 0.084 0.000 0.818 41 L CB -1.412 40.695 42.059 0.079 0.000 1.472 41 L HN 0.469 nan 8.230 nan 0.000 0.843 42 P HA 0.169 nan 4.420 nan 0.000 0.266 42 P C 1.048 178.439 177.300 0.152 0.000 1.215 42 P CA 1.332 64.503 63.100 0.118 0.000 0.763 42 P CB 0.978 32.727 31.700 0.083 0.000 0.806 43 G N 1.309 110.149 108.800 0.066 0.000 2.246 43 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.273 43 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.273 43 G C -0.869 173.936 174.900 -0.159 0.000 1.055 43 G CA -0.537 44.526 45.100 -0.061 0.000 0.851 43 G HN 0.450 nan 8.290 nan 0.000 0.500 44 W N -0.685 120.612 121.300 -0.006 0.000 3.405 44 W HA 0.547 5.207 4.660 -0.000 0.000 0.329 44 W C 0.187 176.708 176.519 0.003 0.000 1.142 44 W CA -0.272 57.070 57.345 -0.005 0.000 1.235 44 W CB 1.668 31.121 29.460 -0.012 0.000 1.341 44 W HN 0.580 nan 8.180 nan 0.000 0.481 45 T N 0.057 114.769 114.554 0.263 0.000 2.786 45 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 45 T C -0.682 174.129 174.700 0.184 0.000 0.992 45 T CA -0.680 61.523 62.100 0.172 0.000 0.954 45 T CB 0.927 69.851 68.868 0.094 0.000 0.934 45 T HN 0.160 nan 8.240 nan 0.000 0.440 46 V N 5.249 125.250 119.914 0.146 0.000 2.479 46 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 46 V C 0.994 177.144 176.094 0.094 0.000 1.031 46 V CA -0.374 61.999 62.300 0.121 0.000 1.038 46 V CB -0.209 31.678 31.823 0.108 0.000 0.981 46 V HN 0.831 nan 8.190 nan 0.000 0.478 47 R N 4.177 124.722 120.500 0.075 0.000 2.691 47 R HA 0.775 5.115 4.340 -0.000 0.000 0.259 47 R C -0.657 175.649 176.300 0.009 0.000 1.048 47 R CA -0.847 55.274 56.100 0.036 0.000 1.086 47 R CB 1.541 31.851 30.300 0.016 0.000 1.166 47 R HN 0.575 nan 8.270 nan 0.000 0.526 48 M N 2.013 121.600 119.600 -0.021 0.000 2.238 48 M HA 0.231 4.711 4.480 -0.000 0.000 0.278 48 M C -1.252 174.977 176.300 -0.118 0.000 1.040 48 M CA -0.821 54.458 55.300 -0.035 0.000 0.969 48 M CB 2.294 34.933 32.600 0.065 0.000 1.694 48 M HN 0.366 nan 8.290 nan 0.000 0.472 49 V N 2.286 122.082 119.914 -0.196 0.000 2.581 49 V HA 0.724 4.844 4.120 -0.000 0.000 0.303 49 V C -0.744 175.235 176.094 -0.193 0.000 1.041 49 V CA -0.818 61.326 62.300 -0.260 0.000 0.907 49 V CB 1.872 33.414 31.823 -0.469 0.000 0.994 49 V HN 0.790 nan 8.190 nan 0.000 0.442 50 L N 3.618 124.736 121.223 -0.174 0.000 2.329 50 L HA 0.946 5.286 4.340 -0.000 0.000 0.279 50 L C 0.476 177.267 176.870 -0.132 0.000 1.014 50 L CA -0.350 54.348 54.840 -0.237 0.000 0.814 50 L CB 1.968 43.828 42.059 -0.332 0.000 1.257 50 L HN 0.981 nan 8.230 nan 0.000 0.424 51 G N 0.440 109.158 108.800 -0.136 0.000 2.682 51 G HA2 0.463 4.423 3.960 -0.000 0.000 0.300 51 G HA3 0.463 4.423 3.960 -0.000 0.000 0.300 51 G C -1.570 173.290 174.900 -0.067 0.000 1.391 51 G CA -0.323 44.752 45.100 -0.041 0.000 0.990 51 G HN 0.399 nan 8.290 nan 0.000 0.501 52 S N -0.625 115.060 115.700 -0.026 0.000 2.554 52 S HA 0.475 4.945 4.470 -0.000 0.000 0.278 52 S C 1.480 176.088 174.600 0.013 0.000 1.242 52 S CA 0.055 58.245 58.200 -0.016 0.000 1.051 52 S CB 1.163 64.366 63.200 0.006 0.000 0.986 52 S HN 1.061 nan 8.310 nan 0.000 0.502 53 S N 2.341 118.048 115.700 0.012 0.000 2.535 53 S HA 0.121 4.591 4.470 -0.000 0.000 0.214 53 S C 0.403 175.015 174.600 0.021 0.000 0.980 53 S CA -0.435 57.773 58.200 0.014 0.000 0.907 53 S CB -0.341 62.858 63.200 -0.002 0.000 0.790 53 S HN 0.851 nan 8.310 nan 0.000 0.510 54 E N 2.277 122.499 120.200 0.036 0.000 2.319 54 E HA 0.396 4.746 4.350 -0.000 0.000 0.268 54 E C -0.409 176.225 176.600 0.057 0.000 1.050 54 E CA -1.014 55.421 56.400 0.059 0.000 0.878 54 E CB 0.437 30.194 29.700 0.094 0.000 1.066 54 E HN 0.382 nan 8.360 nan 0.000 0.406 55 N N 1.394 120.131 118.700 0.062 0.000 2.476 55 N HA 0.187 4.927 4.740 -0.000 0.000 0.287 55 N C 0.838 176.380 175.510 0.053 0.000 1.262 55 N CA -0.017 53.064 53.050 0.052 0.000 0.980 55 N CB 0.077 38.592 38.487 0.046 0.000 1.163 55 N HN 0.574 nan 8.380 nan 0.000 0.592 56 A N -0.416 122.430 122.820 0.044 0.000 1.927 56 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 56 A C 2.071 179.682 177.584 0.045 0.000 1.185 56 A CA 2.620 54.682 52.037 0.040 0.000 0.639 56 A CB -1.702 17.318 19.000 0.033 0.000 0.820 56 A HN 0.902 nan 8.150 nan 0.000 0.451 57 A N -2.123 120.725 122.820 0.047 0.000 2.216 57 A HA 0.346 4.666 4.320 -0.000 0.000 0.214 57 A C 2.022 179.645 177.584 0.065 0.000 1.160 57 A CA 1.389 53.456 52.037 0.050 0.000 0.725 57 A CB -1.051 17.978 19.000 0.048 0.000 0.784 57 A HN 2.055 nan 8.150 nan 0.000 0.472 58 G N -1.706 107.141 108.800 0.077 0.000 2.159 58 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.256 58 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.256 58 G C 0.300 175.294 174.900 0.156 0.000 0.977 58 G CA 0.472 45.633 45.100 0.100 0.000 0.652 58 G HN 1.590 nan 8.290 nan 0.000 0.531 59 V N -1.071 118.938 119.914 0.158 0.000 2.612 59 V HA 0.702 4.822 4.120 -0.000 0.000 0.301 59 V C 1.469 177.667 176.094 0.174 0.000 1.046 59 V CA -1.340 61.105 62.300 0.243 0.000 0.946 59 V CB 1.045 32.989 31.823 0.203 0.000 1.003 59 V HN 1.217 nan 8.190 nan 0.000 0.459 60 c N 2.669 121.357 118.600 0.147 0.000 2.634 60 c HA 0.673 5.243 4.570 -0.000 0.000 0.418 60 c C 0.805 174.939 174.090 0.073 0.000 1.373 60 c CA 0.230 56.574 56.329 0.026 0.000 1.756 60 c CB -1.169 41.263 42.510 -0.130 0.000 2.589 60 c HN 1.435 nan 8.230 nan 0.000 0.602 61 S N 1.355 117.085 115.700 0.050 0.000 2.632 61 S HA 0.555 5.025 4.470 -0.000 0.000 0.289 61 S C 0.275 174.893 174.600 0.029 0.000 1.115 61 S CA -0.165 58.062 58.200 0.046 0.000 0.889 61 S CB 1.686 64.908 63.200 0.035 0.000 1.116 61 S HN 0.864 nan 8.310 nan 0.000 0.486 62 D N 0.731 121.146 120.400 0.025 0.000 2.325 62 D HA 0.128 4.768 4.640 -0.000 0.000 0.234 62 D C 0.778 177.067 176.300 -0.020 0.000 1.122 62 D CA 0.139 54.143 54.000 0.006 0.000 0.850 62 D CB -0.268 40.550 40.800 0.030 0.000 0.921 62 D HN 0.506 nan 8.370 nan 0.000 0.513 63 T N -0.910 113.641 114.554 -0.004 0.000 3.125 63 T HA 0.290 4.640 4.350 -0.000 0.000 0.252 63 T C 1.962 176.674 174.700 0.020 0.000 0.981 63 T CA 0.601 62.705 62.100 0.006 0.000 1.069 63 T CB 0.005 68.881 68.868 0.014 0.000 1.091 63 T HN 0.223 nan 8.240 nan 0.000 0.460 64 A N 1.837 124.672 122.820 0.024 0.000 1.898 64 A HA 0.329 4.649 4.320 -0.000 0.000 0.216 64 A C 2.530 180.135 177.584 0.036 0.000 1.181 64 A CA 1.828 53.887 52.037 0.036 0.000 0.620 64 A CB -1.143 17.880 19.000 0.037 0.000 0.819 64 A HN 0.489 nan 8.150 nan 0.000 0.442 65 A N 0.597 123.424 122.820 0.011 0.000 1.841 65 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 65 A C 0.498 178.077 177.584 -0.008 0.000 1.199 65 A CA 1.972 54.007 52.037 -0.003 0.000 0.621 65 A CB -1.712 17.265 19.000 -0.038 0.000 0.835 65 A HN 0.500 nan 8.150 nan 0.000 0.445 66 P HA -0.113 nan 4.420 nan 0.000 0.217 66 P C 1.546 178.937 177.300 0.152 0.000 1.150 66 P CA 0.877 63.903 63.100 -0.125 0.000 0.832 66 P CB -0.139 31.325 31.700 -0.394 0.000 0.787 67 L N 0.267 121.571 121.223 0.135 0.000 2.046 67 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 67 L C 2.755 179.736 176.870 0.184 0.000 1.077 67 L CA 2.042 56.986 54.840 0.173 0.000 0.747 67 L CB -1.695 40.430 42.059 0.110 0.000 0.896 67 L HN -0.065 nan 8.230 nan 0.000 0.432 68 A N -1.248 121.664 122.820 0.153 0.000 1.969 68 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 68 A C 2.434 180.172 177.584 0.256 0.000 1.169 68 A CA 1.479 53.615 52.037 0.164 0.000 0.635 68 A CB -0.817 18.255 19.000 0.118 0.000 0.810 68 A HN 0.425 nan 8.150 nan 0.000 0.445 69 A N -0.638 122.360 122.820 0.296 0.000 1.898 69 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 69 A C 2.220 180.157 177.584 0.588 0.000 1.181 69 A CA 1.673 53.979 52.037 0.449 0.000 0.620 69 A CB -0.866 18.277 19.000 0.238 0.000 0.819 69 A HN 0.343 nan 8.150 nan 0.000 0.442 70 V N 0.677 120.927 119.914 0.560 0.000 2.343 70 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 70 V C 2.416 178.684 176.094 0.289 0.000 1.051 70 V CA 2.376 64.985 62.300 0.516 0.000 1.036 70 V CB -0.551 31.526 31.823 0.424 0.000 0.654 70 V HN 0.729 nan 8.190 nan 0.000 0.451 71 D N -0.237 120.313 120.400 0.251 0.000 2.117 71 D HA -0.141 4.498 4.640 -0.000 0.000 0.198 71 D C 2.110 178.527 176.300 0.194 0.000 0.982 71 D CA 1.242 55.358 54.000 0.195 0.000 0.828 71 D CB 0.088 40.977 40.800 0.149 0.000 0.967 71 D HN 0.415 nan 8.370 nan 0.000 0.464 72 L N 0.590 121.952 121.223 0.232 0.000 2.083 72 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 72 L C 2.824 179.786 176.870 0.153 0.000 1.083 72 L CA 0.792 55.764 54.840 0.221 0.000 0.752 72 L CB -0.422 41.779 42.059 0.238 0.000 0.899 72 L HN -0.010 nan 8.230 nan 0.000 0.433 73 K N -0.121 120.384 120.400 0.175 0.000 2.057 73 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 73 K C 2.095 178.651 176.600 -0.073 0.000 1.049 73 K CA 1.595 57.861 56.287 -0.035 0.000 0.931 73 K CB -0.224 31.985 32.500 -0.484 0.000 0.714 73 K HN 0.487 nan 8.250 nan 0.000 0.440 74 W N 1.594 122.803 121.300 -0.152 0.000 2.441 74 W HA -0.114 4.546 4.660 -0.000 0.000 0.302 74 W C 1.475 177.898 176.519 -0.160 0.000 1.191 74 W CA 1.064 58.320 57.345 -0.148 0.000 1.327 74 W CB -0.042 29.354 29.460 -0.107 0.000 1.128 74 W HN 0.136 nan 8.180 nan 0.000 0.522 75 E N -1.384 118.716 120.200 -0.167 0.000 2.216 75 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 75 E C 1.526 177.728 176.600 -0.663 0.000 0.988 75 E CA 0.959 57.086 56.400 -0.455 0.000 0.834 75 E CB -0.019 29.410 29.700 -0.452 0.000 0.772 75 E HN 0.311 nan 8.360 nan 0.000 0.479 76 H N -1.838 117.151 119.070 -0.134 0.000 3.457 76 H HA 0.188 4.743 4.556 -0.000 0.000 0.255 76 H C 0.283 175.522 175.328 -0.147 0.000 1.082 76 H CA 0.234 56.205 56.048 -0.128 0.000 1.189 76 H CB 1.033 30.738 29.762 -0.095 0.000 1.511 76 H HN -0.099 nan 8.280 nan 0.000 0.527 77 S N 2.325 117.970 115.700 -0.092 0.000 3.484 77 S HA -0.098 4.372 4.470 -0.000 0.000 0.384 77 S C -2.285 172.276 174.600 -0.065 0.000 0.932 77 S CA -0.163 57.970 58.200 -0.112 0.000 1.293 77 S CB -0.566 62.546 63.200 -0.146 0.000 0.919 77 S HN 0.414 nan 8.310 nan 0.000 0.540 78 P HA 0.434 nan 4.420 nan 0.000 0.274 78 P C 0.550 177.811 177.300 -0.065 0.000 1.246 78 P CA -0.068 62.955 63.100 -0.128 0.000 0.795 78 P CB 0.928 32.418 31.700 -0.349 0.000 1.006 79 A N 0.699 123.485 122.820 -0.058 0.000 2.115 79 A HA 0.303 4.623 4.320 -0.000 0.000 0.211 79 A C 0.698 178.294 177.584 0.020 0.000 1.169 79 A CA 0.563 52.601 52.037 0.002 0.000 0.787 79 A CB 0.079 19.079 19.000 -0.000 0.000 0.858 79 A HN 0.407 nan 8.150 nan 0.000 0.474 80 V N -0.889 118.976 119.914 -0.083 0.000 3.087 80 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 80 V C -2.075 173.911 176.094 -0.179 0.000 1.187 80 V CA -0.979 61.232 62.300 -0.149 0.000 0.999 80 V CB 2.087 33.589 31.823 -0.535 0.000 1.049 80 V HN 0.240 nan 8.190 nan 0.000 0.431 81 F N 4.444 124.345 119.950 -0.082 0.000 2.492 81 F HA 0.737 5.264 4.527 -0.000 0.000 0.327 81 F C -0.339 175.440 175.800 -0.035 0.000 1.079 81 F CA -0.608 57.384 58.000 -0.014 0.000 0.967 81 F CB 2.008 41.042 39.000 0.056 0.000 1.169 81 F HN 0.306 nan 8.300 nan 0.000 0.472 82 L N 2.596 123.933 121.223 0.191 0.000 2.325 82 L HA 0.796 5.136 4.340 -0.000 0.000 0.281 82 L C 0.050 177.103 176.870 0.306 0.000 1.004 82 L CA 0.172 55.149 54.840 0.227 0.000 0.823 82 L CB 1.057 43.268 42.059 0.253 0.000 1.236 82 L HN 0.806 nan 8.230 nan 0.000 0.415 83 G N 4.476 113.474 108.800 0.330 0.000 2.725 83 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 83 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 83 G C -3.005 171.948 174.900 0.088 0.000 1.357 83 G CA -0.663 44.590 45.100 0.254 0.000 0.866 83 G HN 0.513 nan 8.290 nan 0.000 0.548 84 P HA 0.438 nan 4.420 nan 0.000 0.289 84 P C 1.030 178.183 177.300 -0.246 0.000 1.299 84 P CA 0.723 63.778 63.100 -0.075 0.000 0.766 84 P CB 0.586 32.223 31.700 -0.105 0.000 1.226 85 G N -1.551 106.894 108.800 -0.591 0.000 2.673 85 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.208 85 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.208 85 G C 0.022 174.123 174.900 -1.332 0.000 1.128 85 G CA 0.291 44.583 45.100 -1.347 0.000 0.805 85 G HN 0.485 nan 8.290 nan 0.000 0.526 86 c N 1.341 119.539 118.600 -0.670 0.000 2.637 86 c HA 0.244 4.814 4.570 -0.000 0.000 0.418 86 c C 2.261 176.215 174.090 -0.227 0.000 1.319 86 c CA -0.650 55.572 56.329 -0.179 0.000 1.949 86 c CB 1.052 43.612 42.510 0.083 0.000 2.639 86 c HN 0.249 nan 8.230 nan 0.000 0.594 87 V N 2.830 122.620 119.914 -0.206 0.000 2.282 87 V HA -0.259 3.860 4.120 -0.000 0.000 0.249 87 V C 1.623 177.506 176.094 -0.352 0.000 1.057 87 V CA 2.207 64.257 62.300 -0.418 0.000 1.032 87 V CB -0.854 30.519 31.823 -0.750 0.000 0.645 87 V HN 0.975 nan 8.190 nan 0.000 0.447 88 Y N -0.635 119.632 120.300 -0.056 0.000 2.509 88 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 88 Y C 2.711 178.571 175.900 -0.065 0.000 1.133 88 Y CA 1.121 59.207 58.100 -0.023 0.000 1.283 88 Y CB -0.029 38.467 38.460 0.060 0.000 1.001 88 Y HN 0.143 nan 8.280 nan 0.000 0.555 89 S N -0.700 115.021 115.700 0.036 0.000 2.388 89 S HA -0.027 4.443 4.470 -0.000 0.000 0.223 89 S C 2.267 176.802 174.600 -0.108 0.000 1.034 89 S CA 0.763 58.944 58.200 -0.032 0.000 0.963 89 S CB -0.253 62.921 63.200 -0.044 0.000 0.827 89 S HN 0.475 nan 8.310 nan 0.000 0.481 90 A N 1.542 124.267 122.820 -0.157 0.000 1.897 90 A HA 0.223 4.543 4.320 -0.000 0.000 0.215 90 A C 2.295 179.785 177.584 -0.157 0.000 1.181 90 A CA 1.577 53.502 52.037 -0.186 0.000 0.620 90 A CB -1.091 17.755 19.000 -0.258 0.000 0.821 90 A HN 0.504 nan 8.150 nan 0.000 0.443 91 A N 0.669 123.398 122.820 -0.153 0.000 1.859 91 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 91 A C 0.375 177.954 177.584 -0.008 0.000 1.198 91 A CA 2.084 54.097 52.037 -0.039 0.000 0.629 91 A CB -1.737 17.229 19.000 -0.057 0.000 0.830 91 A HN 0.499 nan 8.150 nan 0.000 0.446 92 P HA -0.047 nan 4.420 nan 0.000 0.219 92 P C 1.598 178.510 177.300 -0.646 0.000 1.150 92 P CA 1.207 64.056 63.100 -0.419 0.000 0.814 92 P CB -0.223 31.193 31.700 -0.473 0.000 0.787 93 V N 0.634 120.282 119.914 -0.443 0.000 2.358 93 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 93 V C 2.796 178.701 176.094 -0.314 0.000 1.047 93 V CA 2.449 64.493 62.300 -0.426 0.000 1.035 93 V CB -1.871 29.793 31.823 -0.266 0.000 0.658 93 V HN 0.157 nan 8.190 nan 0.000 0.452 94 G N -0.450 108.266 108.800 -0.141 0.000 2.443 94 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.219 94 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.219 94 G C 1.698 176.542 174.900 -0.093 0.000 1.131 94 G CA 0.881 45.978 45.100 -0.005 0.000 0.775 94 G HN 0.437 nan 8.290 nan 0.000 0.547 95 R N -0.329 120.057 120.500 -0.190 0.000 2.075 95 R HA 0.196 4.536 4.340 -0.000 0.000 0.226 95 R C 2.200 178.401 176.300 -0.165 0.000 1.114 95 R CA 0.781 56.711 56.100 -0.284 0.000 0.972 95 R CB -0.534 29.608 30.300 -0.265 0.000 0.869 95 R HN 0.414 nan 8.270 nan 0.000 0.437 96 F N 0.296 119.936 119.950 -0.516 0.000 2.075 96 F HA -0.247 4.279 4.527 -0.000 0.000 0.297 96 F C 2.450 177.618 175.800 -1.054 0.000 1.113 96 F CA 1.312 58.760 58.000 -0.920 0.000 1.218 96 F CB -0.460 37.838 39.000 -1.171 0.000 0.984 96 F HN 0.275 nan 8.300 nan 0.000 0.472 97 T N -1.477 112.789 114.554 -0.480 0.000 2.833 97 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 97 T C 1.877 176.566 174.700 -0.018 0.000 1.054 97 T CA 0.903 62.912 62.100 -0.152 0.000 1.135 97 T CB -0.676 68.130 68.868 -0.102 0.000 0.869 97 T HN 0.248 nan 8.240 nan 0.000 0.466 98 A N 1.377 124.149 122.820 -0.080 0.000 1.930 98 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 98 A C 2.181 179.757 177.584 -0.013 0.000 1.175 98 A CA 1.883 53.898 52.037 -0.036 0.000 0.627 98 A CB -1.099 17.853 19.000 -0.081 0.000 0.815 98 A HN 0.760 nan 8.150 nan 0.000 0.443 99 H N -1.963 117.014 119.070 -0.155 0.000 2.357 99 H HA -0.151 4.404 4.556 -0.000 0.000 0.301 99 H C 1.520 176.878 175.328 0.051 0.000 1.082 99 H CA 1.893 57.872 56.048 -0.115 0.000 1.342 99 H CB -0.219 29.398 29.762 -0.242 0.000 1.389 99 H HN 0.574 nan 8.280 nan 0.000 0.511 100 W N 0.957 122.216 121.300 -0.068 0.000 2.699 100 W HA 0.155 4.815 4.660 -0.000 0.000 0.249 100 W C 0.346 176.818 176.519 -0.079 0.000 1.280 100 W CA 0.716 58.004 57.345 -0.094 0.000 1.345 100 W CB -0.123 29.357 29.460 0.033 0.000 1.128 100 W HN 0.197 nan 8.180 nan 0.000 0.642 101 R N -0.713 119.865 120.500 0.130 0.000 3.418 101 R HA -0.154 4.186 4.340 -0.000 0.000 0.274 101 R C -0.961 175.406 176.300 0.111 0.000 1.108 101 R CA 0.451 56.593 56.100 0.071 0.000 0.741 101 R CB -2.342 27.970 30.300 0.020 0.000 1.223 101 R HN -0.053 nan 8.270 nan 0.000 0.434 102 V N 1.033 121.051 119.914 0.174 0.000 2.540 102 V HA 0.385 4.505 4.120 -0.000 0.000 0.302 102 V C -1.943 174.248 176.094 0.161 0.000 1.035 102 V CA -1.868 60.553 62.300 0.202 0.000 0.873 102 V CB 2.511 34.555 31.823 0.368 0.000 0.992 102 V HN -0.012 nan 8.190 nan 0.000 0.428 103 P HA 0.303 nan 4.420 nan 0.000 0.271 103 P C -1.026 176.316 177.300 0.070 0.000 1.218 103 P CA -0.187 62.950 63.100 0.061 0.000 0.780 103 P CB 0.704 32.423 31.700 0.032 0.000 0.901 104 L N 3.379 124.632 121.223 0.050 0.000 2.362 104 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 104 L C -1.454 175.401 176.870 -0.025 0.000 0.998 104 L CA -0.450 54.418 54.840 0.047 0.000 0.820 104 L CB 1.075 43.160 42.059 0.044 0.000 1.270 104 L HN 0.190 nan 8.230 nan 0.000 0.415 105 L N 4.361 125.543 121.223 -0.068 0.000 2.362 105 L HA 0.801 5.141 4.340 -0.000 0.000 0.275 105 L C -0.437 176.305 176.870 -0.214 0.000 0.998 105 L CA -0.317 54.428 54.840 -0.157 0.000 0.820 105 L CB 2.152 44.084 42.059 -0.211 0.000 1.270 105 L HN 0.687 nan 8.230 nan 0.000 0.415 106 T N 0.820 115.168 114.554 -0.344 0.000 2.957 106 T HA 0.544 4.894 4.350 -0.000 0.000 0.336 106 T C -0.257 174.118 174.700 -0.542 0.000 1.462 106 T CA 0.212 62.017 62.100 -0.491 0.000 1.073 106 T CB 1.704 70.468 68.868 -0.174 0.000 1.319 106 T HN 0.587 nan 8.240 nan 0.000 0.485 107 A N 2.107 124.537 122.820 -0.650 0.000 2.348 107 A HA 0.687 5.007 4.320 -0.000 0.000 0.224 107 A C 1.166 178.719 177.584 -0.053 0.000 1.227 107 A CA 0.722 52.598 52.037 -0.268 0.000 0.885 107 A CB -0.385 18.538 19.000 -0.127 0.000 0.933 107 A HN 1.049 nan 8.150 nan 0.000 0.506 108 G N -2.170 106.549 108.800 -0.134 0.000 2.849 108 G HA2 0.495 4.455 3.960 -0.000 0.000 0.174 108 G HA3 0.495 4.455 3.960 -0.000 0.000 0.174 108 G C 0.760 175.432 174.900 -0.381 0.000 1.370 108 G CA -0.037 44.843 45.100 -0.368 0.000 1.040 108 G HN 1.453 nan 8.290 nan 0.000 0.582 109 A N -0.258 122.277 122.820 -0.475 0.000 2.511 109 A HA -0.096 4.224 4.320 -0.000 0.000 0.297 109 A C -0.852 176.474 177.584 -0.430 0.000 1.476 109 A CA 1.144 52.918 52.037 -0.439 0.000 0.757 109 A CB -1.325 17.431 19.000 -0.405 0.000 1.072 109 A HN 0.408 nan 8.150 nan 0.000 0.413 110 P HA 0.237 nan 4.420 nan 0.000 0.242 110 P C 0.700 177.640 177.300 -0.600 0.000 1.197 110 P CA 1.147 63.889 63.100 -0.596 0.000 0.765 110 P CB -0.252 30.903 31.700 -0.908 0.000 0.936 111 A N 0.245 122.776 122.820 -0.482 0.000 2.445 111 A HA 0.113 4.433 4.320 -0.000 0.000 0.242 111 A C 1.364 178.769 177.584 -0.298 0.000 1.075 111 A CA -0.411 51.381 52.037 -0.410 0.000 0.777 111 A CB -0.159 18.334 19.000 -0.846 0.000 1.013 111 A HN 0.122 nan 8.150 nan 0.000 0.493 112 L N 3.046 124.181 121.223 -0.147 0.000 2.042 112 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 112 L C 2.312 179.092 176.870 -0.151 0.000 1.076 112 L CA 2.922 57.692 54.840 -0.117 0.000 0.749 112 L CB -0.844 41.186 42.059 -0.049 0.000 0.893 112 L HN 0.818 nan 8.230 nan 0.000 0.432 113 G N 0.050 108.752 108.800 -0.163 0.000 2.469 113 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 113 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 113 G C 1.503 176.234 174.900 -0.281 0.000 1.136 113 G CA 1.052 46.067 45.100 -0.142 0.000 0.759 113 G HN 0.426 nan 8.290 nan 0.000 0.562 114 I N 1.917 122.170 120.570 -0.528 0.000 2.454 114 I HA -0.092 4.078 4.170 -0.000 0.000 0.254 114 I C 2.951 178.847 176.117 -0.368 0.000 1.156 114 I CA 1.163 61.984 61.300 -0.798 0.000 1.433 114 I CB -1.522 36.066 38.000 -0.688 0.000 1.082 114 I HN 0.236 nan 8.210 nan 0.000 0.432 115 G N 1.135 109.792 108.800 -0.239 0.000 2.450 115 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 115 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 115 G C 0.973 175.835 174.900 -0.063 0.000 1.130 115 G CA 0.067 45.073 45.100 -0.155 0.000 0.760 115 G HN 0.266 nan 8.290 nan 0.000 0.557 116 V N 2.849 122.767 119.914 0.007 0.000 2.377 116 V HA 0.062 4.182 4.120 -0.000 0.000 0.254 116 V C 1.506 177.693 176.094 0.155 0.000 1.060 116 V CA 0.207 62.554 62.300 0.078 0.000 1.068 116 V CB 0.636 32.516 31.823 0.096 0.000 1.113 116 V HN 0.478 nan 8.190 nan 0.000 0.484 117 K N 2.692 123.160 120.400 0.113 0.000 2.217 117 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 117 K C 1.169 177.850 176.600 0.135 0.000 1.051 117 K CA 1.224 57.617 56.287 0.177 0.000 0.952 117 K CB -0.445 32.207 32.500 0.253 0.000 0.736 117 K HN 0.461 nan 8.250 nan 0.000 0.453 118 D N 0.806 121.258 120.400 0.088 0.000 2.133 118 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 118 D C 1.854 178.151 176.300 -0.005 0.000 0.997 118 D CA 1.662 55.688 54.000 0.044 0.000 0.840 118 D CB 0.018 40.836 40.800 0.031 0.000 0.947 118 D HN 0.520 nan 8.370 nan 0.000 0.452 119 E N -1.007 119.176 120.200 -0.028 0.000 2.060 119 E HA -0.057 4.293 4.350 -0.000 0.000 0.189 119 E C 0.154 176.526 176.600 -0.380 0.000 0.974 119 E CA 0.682 56.959 56.400 -0.205 0.000 0.808 119 E CB -0.053 29.506 29.700 -0.236 0.000 0.768 119 E HN 0.351 nan 8.360 nan 0.000 0.453 120 Y N 0.978 121.273 120.300 -0.008 0.000 2.880 120 Y HA 0.496 5.046 4.550 -0.000 0.000 0.386 120 Y C 0.139 176.069 175.900 0.051 0.000 1.172 120 Y CA -0.358 57.737 58.100 -0.008 0.000 1.770 120 Y CB -0.335 38.100 38.460 -0.042 0.000 1.809 120 Y HN 0.063 nan 8.280 nan 0.000 0.472 121 A N 0.492 123.362 122.820 0.085 0.000 2.448 121 A HA 0.280 4.600 4.320 -0.000 0.000 0.239 121 A C 1.150 178.803 177.584 0.116 0.000 1.080 121 A CA -0.089 52.013 52.037 0.109 0.000 0.779 121 A CB 0.094 19.110 19.000 0.027 0.000 1.026 121 A HN 0.856 nan 8.150 nan 0.000 0.499 122 L N -0.763 120.517 121.223 0.095 0.000 4.555 122 L HA -0.198 4.142 4.340 -0.000 0.000 0.431 122 L C 0.378 177.336 176.870 0.147 0.000 1.136 122 L CA 0.878 55.752 54.840 0.057 0.000 0.972 122 L CB -2.650 39.420 42.059 0.019 0.000 1.999 122 L HN 0.736 nan 8.230 nan 0.000 0.900 123 T N 0.768 115.468 114.554 0.242 0.000 2.753 123 T HA 0.406 4.756 4.350 -0.000 0.000 0.297 123 T C 0.469 175.296 174.700 0.213 0.000 0.981 123 T CA 0.024 62.227 62.100 0.172 0.000 0.956 123 T CB 1.346 70.301 68.868 0.144 0.000 0.936 123 T HN 0.040 nan 8.240 nan 0.000 0.463 124 T N 5.016 119.661 114.554 0.153 0.000 2.771 124 T HA 0.385 4.735 4.350 -0.000 0.000 0.281 124 T C 0.279 174.931 174.700 -0.080 0.000 0.982 124 T CA -0.731 61.444 62.100 0.126 0.000 0.978 124 T CB 0.851 69.862 68.868 0.237 0.000 0.930 124 T HN 0.329 nan 8.240 nan 0.000 0.447 125 R N 2.188 122.586 120.500 -0.170 0.000 2.215 125 R HA 0.299 4.639 4.340 -0.000 0.000 0.336 125 R C 1.108 177.266 176.300 -0.236 0.000 0.996 125 R CA -0.280 55.683 56.100 -0.228 0.000 0.847 125 R CB 0.644 30.792 30.300 -0.253 0.000 1.127 125 R HN 0.768 nan 8.270 nan 0.000 0.465 126 T N -1.329 113.069 114.554 -0.260 0.000 3.122 126 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 126 T C 0.852 175.413 174.700 -0.231 0.000 1.067 126 T CA -0.217 61.736 62.100 -0.244 0.000 0.966 126 T CB 0.678 69.391 68.868 -0.258 0.000 1.002 126 T HN 0.524 nan 8.240 nan 0.000 0.542 127 G N 1.463 110.121 108.800 -0.236 0.000 3.175 127 G HA2 0.696 4.656 3.960 -0.000 0.000 0.255 127 G HA3 0.696 4.656 3.960 -0.000 0.000 0.255 127 G C -3.075 171.672 174.900 -0.255 0.000 1.352 127 G CA -2.021 42.952 45.100 -0.212 0.000 1.037 127 G HN 0.062 nan 8.290 nan 0.000 0.556 128 P HA 0.360 nan 4.420 nan 0.000 0.272 128 P C -0.687 176.467 177.300 -0.243 0.000 1.230 128 P CA -0.062 62.819 63.100 -0.365 0.000 0.788 128 P CB 1.205 32.470 31.700 -0.725 0.000 0.949 129 S N 0.112 115.722 115.700 -0.149 0.000 2.540 129 S HA 0.265 4.735 4.470 -0.000 0.000 0.275 129 S C 0.300 174.882 174.600 -0.031 0.000 1.123 129 S CA -0.440 57.638 58.200 -0.203 0.000 0.907 129 S CB 0.800 63.903 63.200 -0.163 0.000 1.081 129 S HN 0.454 nan 8.310 nan 0.000 0.476 130 H N 1.113 120.198 119.070 0.025 0.000 2.529 130 H HA 0.036 4.592 4.556 -0.000 0.000 0.277 130 H C 1.967 177.284 175.328 -0.018 0.000 0.999 130 H CA 0.646 56.714 56.048 0.032 0.000 1.256 130 H CB -0.336 29.428 29.762 0.003 0.000 1.402 130 H HN 0.363 nan 8.280 nan 0.000 0.566 131 V N 1.049 120.990 119.914 0.046 0.000 2.343 131 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 131 V C 2.322 178.427 176.094 0.018 0.000 1.051 131 V CA 1.318 63.615 62.300 -0.004 0.000 1.036 131 V CB -0.289 31.507 31.823 -0.045 0.000 0.654 131 V HN 0.217 nan 8.190 nan 0.000 0.451 132 K N 0.414 120.860 120.400 0.077 0.000 2.103 132 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 132 K C 2.120 178.818 176.600 0.163 0.000 1.048 132 K CA 1.271 57.657 56.287 0.165 0.000 0.930 132 K CB -0.815 31.827 32.500 0.237 0.000 0.716 132 K HN 0.446 nan 8.250 nan 0.000 0.444 133 L N 0.962 122.239 121.223 0.089 0.000 2.127 133 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 133 L C 2.059 178.787 176.870 -0.236 0.000 1.089 133 L CA 2.060 56.731 54.840 -0.280 0.000 0.757 133 L CB -0.878 41.043 42.059 -0.231 0.000 0.899 133 L HN 0.209 nan 8.230 nan 0.000 0.434 134 G N -1.241 107.471 108.800 -0.147 0.000 2.422 134 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.218 134 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.218 134 G C 1.244 176.042 174.900 -0.170 0.000 1.146 134 G CA 0.806 45.796 45.100 -0.183 0.000 0.769 134 G HN 0.408 nan 8.290 nan 0.000 0.547 135 D N 0.005 120.353 120.400 -0.087 0.000 2.097 135 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 135 D C 1.940 178.113 176.300 -0.212 0.000 0.989 135 D CA 0.586 54.568 54.000 -0.031 0.000 0.827 135 D CB -0.466 40.429 40.800 0.158 0.000 0.966 135 D HN 0.343 nan 8.370 nan 0.000 0.456 136 F N 1.110 120.679 119.950 -0.636 0.000 2.126 136 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 136 F C 2.154 177.658 175.800 -0.494 0.000 1.096 136 F CA 1.061 58.469 58.000 -0.988 0.000 1.255 136 F CB -0.023 38.396 39.000 -0.968 0.000 0.997 136 F HN -0.204 nan 8.300 nan 0.000 0.479 137 V N 0.045 119.646 119.914 -0.522 0.000 2.343 137 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 137 V C 2.311 178.190 176.094 -0.359 0.000 1.051 137 V CA 2.376 64.375 62.300 -0.503 0.000 1.036 137 V CB -1.039 30.484 31.823 -0.501 0.000 0.654 137 V HN 0.445 nan 8.190 nan 0.000 0.451 138 T N 0.480 114.864 114.554 -0.282 0.000 2.684 138 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 138 T C 2.070 176.725 174.700 -0.074 0.000 1.036 138 T CA 1.758 63.766 62.100 -0.153 0.000 1.148 138 T CB -0.476 68.329 68.868 -0.104 0.000 0.863 138 T HN 0.582 nan 8.240 nan 0.000 0.436 139 A N 1.258 124.006 122.820 -0.120 0.000 1.883 139 A HA -0.027 4.292 4.320 -0.000 0.000 0.217 139 A C 2.349 179.891 177.584 -0.070 0.000 1.186 139 A CA 1.267 53.284 52.037 -0.033 0.000 0.624 139 A CB -0.897 18.145 19.000 0.071 0.000 0.822 139 A HN 0.469 nan 8.150 nan 0.000 0.444 140 L N -1.581 119.505 121.223 -0.227 0.000 2.046 140 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 140 L C 2.644 179.577 176.870 0.105 0.000 1.077 140 L CA 1.631 56.403 54.840 -0.112 0.000 0.747 140 L CB -0.800 41.114 42.059 -0.242 0.000 0.896 140 L HN 0.563 nan 8.230 nan 0.000 0.432 141 H N -0.522 118.571 119.070 0.039 0.000 2.389 141 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 141 H C 2.476 177.809 175.328 0.008 0.000 1.081 141 H CA 1.021 57.175 56.048 0.176 0.000 1.345 141 H CB 0.308 30.199 29.762 0.215 0.000 1.393 141 H HN 0.280 nan 8.280 nan 0.000 0.520 142 R N 0.555 121.114 120.500 0.098 0.000 2.070 142 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 142 R C 2.526 178.796 176.300 -0.050 0.000 1.138 142 R CA 0.918 57.027 56.100 0.015 0.000 0.936 142 R CB -0.203 30.111 30.300 0.023 0.000 0.839 142 R HN 0.172 nan 8.270 nan 0.000 0.429 143 R N 0.430 120.908 120.500 -0.036 0.000 2.133 143 R HA -0.158 4.181 4.340 -0.000 0.000 0.247 143 R C 0.901 177.109 176.300 -0.154 0.000 1.151 143 R CA 1.366 57.434 56.100 -0.055 0.000 0.971 143 R CB -0.051 30.249 30.300 0.001 0.000 0.866 143 R HN 0.085 nan 8.270 nan 0.000 0.447 144 L N -0.219 120.828 121.223 -0.295 0.000 2.818 144 L HA 0.291 4.631 4.340 -0.000 0.000 0.243 144 L C 0.323 176.670 176.870 -0.870 0.000 1.185 144 L CA 0.511 54.977 54.840 -0.623 0.000 0.988 144 L CB 0.613 42.126 42.059 -0.911 0.000 1.292 144 L HN 0.263 nan 8.230 nan 0.000 0.519 145 G N -0.263 108.251 108.800 -0.477 0.000 2.296 145 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 145 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 145 G C -0.693 173.999 174.900 -0.346 0.000 0.887 145 G CA -0.147 44.747 45.100 -0.342 0.000 1.318 145 G HN 0.227 nan 8.290 nan 0.000 0.403 146 W N 1.277 122.528 121.300 -0.082 0.000 2.517 146 W HA 0.436 5.096 4.660 -0.000 0.000 0.301 146 W C 0.534 177.084 176.519 0.052 0.000 1.002 146 W CA -1.225 56.077 57.345 -0.072 0.000 1.415 146 W CB 0.616 29.849 29.460 -0.378 0.000 1.275 146 W HN 0.689 nan 8.180 nan 0.000 0.413 147 E N 0.682 120.986 120.200 0.172 0.000 2.989 147 E HA 0.216 4.566 4.350 -0.000 0.000 0.207 147 E C 0.195 176.568 176.600 -0.378 0.000 0.989 147 E CA -0.147 56.203 56.400 -0.083 0.000 1.186 147 E CB 0.478 30.061 29.700 -0.195 0.000 1.141 147 E HN 0.333 nan 8.360 nan 0.000 0.454 148 H N -0.009 119.158 119.070 0.161 0.000 2.356 148 H HA 0.290 4.846 4.556 -0.000 0.000 0.149 148 H C -0.041 175.360 175.328 0.121 0.000 1.057 148 H CA 0.047 56.169 56.048 0.122 0.000 1.093 148 H CB 0.956 30.789 29.762 0.117 0.000 0.960 148 H HN 0.100 nan 8.280 nan 0.000 0.316 149 Q N 0.032 119.993 119.800 0.268 0.000 2.416 149 Q HA 0.694 5.034 4.340 -0.000 0.000 0.281 149 Q C -1.803 174.295 176.000 0.165 0.000 1.067 149 Q CA -0.781 55.138 55.803 0.192 0.000 0.809 149 Q CB 3.648 32.512 28.738 0.210 0.000 1.418 149 Q HN 0.436 nan 8.270 nan 0.000 0.411 150 A N 1.724 124.641 122.820 0.162 0.000 2.574 150 A HA 0.704 5.024 4.320 -0.000 0.000 0.297 150 A C -2.225 175.471 177.584 0.188 0.000 1.062 150 A CA -0.526 51.628 52.037 0.194 0.000 0.686 150 A CB 1.478 20.648 19.000 0.282 0.000 1.285 150 A HN 0.528 nan 8.150 nan 0.000 0.403 151 L N 2.164 123.515 121.223 0.214 0.000 2.325 151 L HA 0.778 5.118 4.340 -0.000 0.000 0.281 151 L C -1.352 175.691 176.870 0.287 0.000 1.004 151 L CA -0.351 54.611 54.840 0.202 0.000 0.823 151 L CB 1.825 43.972 42.059 0.147 0.000 1.236 151 L HN 0.459 nan 8.230 nan 0.000 0.415 152 V N 6.467 126.547 119.914 0.276 0.000 2.384 152 V HA 0.501 4.620 4.120 -0.000 0.000 0.287 152 V C -0.080 176.232 176.094 0.364 0.000 1.020 152 V CA -0.476 62.018 62.300 0.323 0.000 0.850 152 V CB 1.311 33.270 31.823 0.227 0.000 0.987 152 V HN 0.657 nan 8.190 nan 0.000 0.436 153 L N 6.106 127.566 121.223 0.395 0.000 2.334 153 L HA 0.775 5.115 4.340 -0.000 0.000 0.276 153 L C -0.794 176.418 176.870 0.571 0.000 1.014 153 L CA -0.776 54.319 54.840 0.425 0.000 0.815 153 L CB 1.582 43.815 42.059 0.290 0.000 1.268 153 L HN 0.778 nan 8.230 nan 0.000 0.428 154 Y N 0.341 120.844 120.300 0.337 0.000 2.544 154 Y HA 0.892 5.441 4.550 -0.000 0.000 0.342 154 Y C -1.006 174.752 175.900 -0.237 0.000 1.062 154 Y CA -1.212 56.968 58.100 0.132 0.000 1.023 154 Y CB 1.596 40.093 38.460 0.061 0.000 1.308 154 Y HN 0.626 nan 8.280 nan 0.000 0.457 155 A N 2.330 124.914 122.820 -0.394 0.000 2.365 155 A HA 0.854 5.174 4.320 -0.000 0.000 0.318 155 A C -1.478 175.947 177.584 -0.265 0.000 1.091 155 A CA -0.448 51.102 52.037 -0.811 0.000 0.763 155 A CB 1.488 19.864 19.000 -1.040 0.000 1.248 155 A HN 0.798 nan 8.150 nan 0.000 0.442 156 D N 0.286 120.548 120.400 -0.230 0.000 2.721 156 D HA 0.181 4.821 4.640 -0.000 0.000 0.221 156 D C -0.354 175.906 176.300 -0.066 0.000 1.208 156 D CA -0.527 53.435 54.000 -0.063 0.000 0.755 156 D CB 1.239 42.065 40.800 0.044 0.000 1.732 156 D HN 0.478 nan 8.370 nan 0.000 0.490 157 R N 0.945 121.431 120.500 -0.023 0.000 3.160 157 R HA 0.214 4.553 4.340 -0.000 0.000 0.266 157 R C 0.883 177.165 176.300 -0.030 0.000 1.167 157 R CA -0.325 55.765 56.100 -0.017 0.000 1.124 157 R CB 0.102 30.407 30.300 0.007 0.000 1.034 157 R HN 0.353 nan 8.270 nan 0.000 0.536 158 L N -0.905 120.300 121.223 -0.030 0.000 2.717 158 L HA 0.293 4.632 4.340 -0.000 0.000 0.239 158 L C 0.952 177.794 176.870 -0.047 0.000 1.086 158 L CA 1.062 55.870 54.840 -0.053 0.000 0.897 158 L CB 0.098 42.123 42.059 -0.057 0.000 1.214 158 L HN 0.749 nan 8.230 nan 0.000 0.508 159 G N 0.751 109.539 108.800 -0.020 0.000 4.126 159 G HA2 0.444 4.404 3.960 -0.000 0.000 0.282 159 G HA3 0.444 4.404 3.960 -0.000 0.000 0.282 159 G C -0.726 174.189 174.900 0.024 0.000 1.221 159 G CA 0.059 45.151 45.100 -0.013 0.000 1.527 159 G HN 0.304 nan 8.290 nan 0.000 0.612 160 D N -1.422 119.007 120.400 0.048 0.000 2.970 160 D HA 0.033 4.673 4.640 -0.000 0.000 0.344 160 D C -0.490 175.941 176.300 0.219 0.000 1.365 160 D CA -0.485 53.592 54.000 0.128 0.000 0.910 160 D CB 0.297 41.176 40.800 0.132 0.000 1.445 160 D HN -0.089 nan 8.370 nan 0.000 0.532 161 D N -0.819 119.780 120.400 0.331 0.000 2.349 161 D HA 0.085 4.725 4.640 -0.000 0.000 0.224 161 D C -0.009 176.618 176.300 0.545 0.000 1.029 161 D CA 0.070 54.379 54.000 0.515 0.000 0.879 161 D CB -0.233 40.866 40.800 0.497 0.000 0.906 161 D HN 0.322 nan 8.370 nan 0.000 0.528 162 R N -1.051 119.653 120.500 0.340 0.000 3.158 162 R HA -0.154 4.186 4.340 -0.000 0.000 0.244 162 R C -1.768 174.699 176.300 0.279 0.000 0.900 162 R CA 0.426 56.654 56.100 0.213 0.000 0.618 162 R CB -1.392 28.923 30.300 0.024 0.000 1.061 162 R HN 0.383 nan 8.270 nan 0.000 0.471 163 P HA -0.184 nan 4.420 nan 0.000 0.217 163 P C 0.966 178.397 177.300 0.219 0.000 1.150 163 P CA 1.054 64.374 63.100 0.367 0.000 0.832 163 P CB 0.070 31.974 31.700 0.341 0.000 0.787 164 c N -2.037 116.661 118.600 0.165 0.000 2.500 164 c HA 0.043 4.613 4.570 -0.000 0.000 0.273 164 c C 2.548 176.671 174.090 0.055 0.000 1.428 164 c CA -0.104 56.288 56.329 0.105 0.000 1.766 164 c CB -2.341 40.259 42.510 0.150 0.000 1.817 164 c HN 0.185 nan 8.230 nan 0.000 0.543 165 F N 0.006 119.882 119.950 -0.123 0.000 2.179 165 F HA 0.073 4.600 4.527 -0.000 0.000 0.292 165 F C 1.858 177.421 175.800 -0.395 0.000 1.089 165 F CA 1.469 59.265 58.000 -0.341 0.000 1.295 165 F CB -0.563 38.199 39.000 -0.396 0.000 1.041 165 F HN 0.176 nan 8.300 nan 0.000 0.487 166 F N 0.724 120.608 119.950 -0.111 0.000 2.161 166 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 166 F C 2.243 177.825 175.800 -0.364 0.000 1.089 166 F CA 1.271 59.142 58.000 -0.215 0.000 1.282 166 F CB -0.560 38.508 39.000 0.114 0.000 1.010 166 F HN -0.004 nan 8.300 nan 0.000 0.485 167 I N -0.549 119.777 120.570 -0.406 0.000 2.113 167 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 167 I C 2.306 178.202 176.117 -0.368 0.000 1.070 167 I CA 1.090 62.000 61.300 -0.650 0.000 1.332 167 I CB -0.545 37.169 38.000 -0.476 0.000 1.044 167 I HN -0.115 nan 8.210 nan 0.000 0.402 168 V N 0.876 120.553 119.914 -0.394 0.000 2.407 168 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 168 V C 2.482 178.315 176.094 -0.435 0.000 1.055 168 V CA 2.220 64.271 62.300 -0.416 0.000 1.049 168 V CB -0.702 30.770 31.823 -0.585 0.000 0.662 168 V HN 0.546 nan 8.190 nan 0.000 0.455 169 E N 0.774 120.620 120.200 -0.590 0.000 2.085 169 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 169 E C 2.195 178.680 176.600 -0.192 0.000 0.994 169 E CA 1.930 58.038 56.400 -0.487 0.000 0.801 169 E CB -0.668 28.632 29.700 -0.666 0.000 0.743 169 E HN 0.493 nan 8.360 nan 0.000 0.453 170 G N 1.149 109.876 108.800 -0.122 0.000 2.404 170 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 170 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 170 G C 1.596 176.442 174.900 -0.090 0.000 1.174 170 G CA 0.721 45.796 45.100 -0.043 0.000 0.780 170 G HN 0.336 nan 8.290 nan 0.000 0.537 171 L N -0.975 120.166 121.223 -0.136 0.000 2.012 171 L HA -0.085 4.254 4.340 -0.000 0.000 0.210 171 L C 2.590 179.360 176.870 -0.167 0.000 1.073 171 L CA 1.796 56.520 54.840 -0.193 0.000 0.748 171 L CB -0.324 41.575 42.059 -0.265 0.000 0.891 171 L HN 0.315 nan 8.230 nan 0.000 0.431 172 Y N -0.105 120.045 120.300 -0.250 0.000 2.128 172 Y HA -0.314 4.236 4.550 -0.000 0.000 0.284 172 Y C 2.437 178.239 175.900 -0.164 0.000 1.154 172 Y CA 2.098 60.072 58.100 -0.210 0.000 1.149 172 Y CB -0.101 38.217 38.460 -0.238 0.000 0.976 172 Y HN 0.151 nan 8.280 nan 0.000 0.505 173 M N -0.748 118.758 119.600 -0.156 0.000 2.236 173 M HA -0.082 4.398 4.480 -0.000 0.000 0.266 173 M C 2.228 178.410 176.300 -0.197 0.000 1.070 173 M CA 1.368 56.549 55.300 -0.198 0.000 1.137 173 M CB -0.796 31.760 32.600 -0.074 0.000 1.378 173 M HN 0.167 nan 8.290 nan 0.000 0.426 174 R N 0.620 121.023 120.500 -0.162 0.000 2.093 174 R HA 0.012 4.352 4.340 -0.000 0.000 0.224 174 R C 1.928 178.125 176.300 -0.172 0.000 1.101 174 R CA 1.107 57.123 56.100 -0.140 0.000 0.979 174 R CB -0.899 29.336 30.300 -0.108 0.000 0.877 174 R HN 0.161 nan 8.270 nan 0.000 0.441 175 V N 0.883 120.662 119.914 -0.225 0.000 2.358 175 V HA -0.131 3.988 4.120 -0.000 0.000 0.246 175 V C 2.246 178.200 176.094 -0.233 0.000 1.047 175 V CA 1.861 64.015 62.300 -0.244 0.000 1.035 175 V CB -0.399 31.239 31.823 -0.309 0.000 0.658 175 V HN 0.309 nan 8.190 nan 0.000 0.452 176 R N -0.341 119.979 120.500 -0.300 0.000 2.189 176 R HA -0.138 4.202 4.340 -0.000 0.000 0.218 176 R C 2.204 178.390 176.300 -0.191 0.000 1.074 176 R CA 1.129 57.059 56.100 -0.283 0.000 0.991 176 R CB -0.112 29.916 30.300 -0.453 0.000 0.883 176 R HN 0.600 nan 8.270 nan 0.000 0.457 177 E N 0.701 120.798 120.200 -0.173 0.000 2.208 177 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 177 E C 1.618 178.163 176.600 -0.091 0.000 0.988 177 E CA 0.829 57.159 56.400 -0.117 0.000 0.828 177 E CB 0.333 29.971 29.700 -0.103 0.000 0.763 177 E HN 0.232 nan 8.360 nan 0.000 0.478 178 R N -0.883 119.557 120.500 -0.100 0.000 2.250 178 R HA 0.194 4.534 4.340 -0.000 0.000 0.194 178 R C 1.777 178.036 176.300 -0.068 0.000 0.927 178 R CA 0.212 56.268 56.100 -0.074 0.000 1.052 178 R CB 0.468 30.728 30.300 -0.067 0.000 1.055 178 R HN 0.179 nan 8.270 nan 0.000 0.537 179 L N 0.647 121.818 121.223 -0.087 0.000 2.817 179 L HA 0.209 4.549 4.340 -0.000 0.000 0.248 179 L C 0.523 177.356 176.870 -0.063 0.000 1.133 179 L CA 0.321 55.121 54.840 -0.066 0.000 0.935 179 L CB -0.069 41.953 42.059 -0.061 0.000 1.266 179 L HN 0.237 nan 8.230 nan 0.000 0.535 180 N N 1.445 120.098 118.700 -0.078 0.000 2.922 180 N HA -0.290 4.450 4.740 -0.000 0.000 0.231 180 N C 0.401 175.883 175.510 -0.048 0.000 0.889 180 N CA 1.285 54.297 53.050 -0.064 0.000 1.027 180 N CB -1.891 36.568 38.487 -0.047 0.000 1.059 180 N HN 0.513 nan 8.380 nan 0.000 0.613 181 I N -0.806 119.740 120.570 -0.040 0.000 2.880 181 I HA 0.143 4.313 4.170 -0.000 0.000 0.296 181 I C 0.149 176.271 176.117 0.008 0.000 1.220 181 I CA 0.147 61.449 61.300 0.003 0.000 1.435 181 I CB 0.372 38.400 38.000 0.046 0.000 1.339 181 I HN 0.126 nan 8.210 nan 0.000 0.583 182 T N 6.276 120.860 114.554 0.050 0.000 2.769 182 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 182 T C 0.053 174.803 174.700 0.083 0.000 0.931 182 T CA -0.365 61.770 62.100 0.057 0.000 1.139 182 T CB 0.445 69.346 68.868 0.054 0.000 0.881 182 T HN 0.432 nan 8.240 nan 0.000 0.532 183 V N 5.936 125.921 119.914 0.119 0.000 2.347 183 V HA 0.313 4.433 4.120 -0.000 0.000 0.280 183 V C 0.174 176.420 176.094 0.253 0.000 1.021 183 V CA -1.114 61.301 62.300 0.193 0.000 0.847 183 V CB 1.061 33.028 31.823 0.241 0.000 0.990 183 V HN 0.766 nan 8.190 nan 0.000 0.444 184 N N 4.469 123.258 118.700 0.148 0.000 2.456 184 N HA 0.409 5.149 4.740 -0.000 0.000 0.288 184 N C -0.532 175.037 175.510 0.099 0.000 1.059 184 N CA -0.388 52.688 53.050 0.044 0.000 0.946 184 N CB 1.308 39.783 38.487 -0.020 0.000 1.150 184 N HN 0.873 nan 8.380 nan 0.000 0.479 185 H N -0.613 118.485 119.070 0.046 0.000 2.572 185 H HA 0.572 5.128 4.556 -0.000 0.000 0.359 185 H C -1.234 174.162 175.328 0.113 0.000 1.134 185 H CA -0.877 55.224 56.048 0.089 0.000 1.187 185 H CB 2.145 31.885 29.762 -0.038 0.000 1.597 185 H HN 0.329 nan 8.280 nan 0.000 0.524 186 Q N 1.931 121.897 119.800 0.276 0.000 2.268 186 Q HA 0.215 4.555 4.340 -0.000 0.000 0.266 186 Q C -1.495 174.434 176.000 -0.118 0.000 1.006 186 Q CA -0.559 55.289 55.803 0.075 0.000 0.824 186 Q CB 2.347 31.092 28.738 0.012 0.000 1.306 186 Q HN 0.846 nan 8.270 nan 0.000 0.424 187 E N 3.955 123.947 120.200 -0.347 0.000 2.242 187 E HA 0.673 5.023 4.350 -0.000 0.000 0.275 187 E C -1.162 175.242 176.600 -0.326 0.000 1.002 187 E CA -0.634 55.292 56.400 -0.789 0.000 0.841 187 E CB 0.713 29.951 29.700 -0.771 0.000 1.109 187 E HN 0.531 nan 8.360 nan 0.000 0.394 188 F N 0.413 120.081 119.950 -0.470 0.000 2.664 188 F HA 0.634 5.161 4.527 -0.000 0.000 0.317 188 F C -1.629 174.109 175.800 -0.104 0.000 1.108 188 F CA -1.269 56.486 58.000 -0.408 0.000 0.957 188 F CB 0.932 39.727 39.000 -0.342 0.000 1.365 188 F HN 0.081 nan 8.300 nan 0.000 0.475 189 V N 1.841 121.968 119.914 0.355 0.000 2.370 189 V HA 0.215 4.335 4.120 -0.000 0.000 0.283 189 V C 0.611 176.844 176.094 0.233 0.000 1.023 189 V CA -0.254 62.155 62.300 0.182 0.000 0.857 189 V CB 0.960 32.914 31.823 0.220 0.000 0.985 189 V HN 0.960 nan 8.190 nan 0.000 0.443 190 E N 3.750 124.002 120.200 0.087 0.000 2.049 190 E HA -0.191 4.158 4.350 -0.000 0.000 0.198 190 E C 2.164 178.931 176.600 0.278 0.000 1.007 190 E CA 1.713 58.264 56.400 0.252 0.000 0.809 190 E CB -0.182 29.618 29.700 0.167 0.000 0.749 190 E HN 0.957 nan 8.360 nan 0.000 0.450 191 G N 1.007 109.896 108.800 0.149 0.000 2.442 191 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 191 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 191 G C 0.613 175.566 174.900 0.088 0.000 1.141 191 G CA 0.658 45.820 45.100 0.104 0.000 0.763 191 G HN 0.263 nan 8.290 nan 0.000 0.554 192 D N 0.607 121.029 120.400 0.037 0.000 2.317 192 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 192 D C -1.565 174.744 176.300 0.014 0.000 1.174 192 D CA -1.746 52.205 54.000 -0.082 0.000 0.866 192 D CB 2.166 42.770 40.800 -0.327 0.000 1.127 192 D HN 0.030 nan 8.370 nan 0.000 0.467 193 P HA -0.039 nan 4.420 nan 0.000 0.222 193 P C 0.889 178.296 177.300 0.179 0.000 1.153 193 P CA 0.328 63.553 63.100 0.208 0.000 0.798 193 P CB 0.398 32.121 31.700 0.039 0.000 0.796 194 D N -0.471 119.928 120.400 -0.001 0.000 2.191 194 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 194 D C 1.570 177.927 176.300 0.095 0.000 1.003 194 D CA 1.344 55.348 54.000 0.007 0.000 0.867 194 D CB -0.583 40.188 40.800 -0.049 0.000 0.926 194 D HN 0.463 nan 8.370 nan 0.000 0.450 195 H N -1.615 117.474 119.070 0.032 0.000 2.524 195 H HA -0.066 4.490 4.556 -0.000 0.000 0.282 195 H C 1.538 176.715 175.328 -0.251 0.000 1.016 195 H CA 0.204 56.188 56.048 -0.107 0.000 1.270 195 H CB 0.118 29.808 29.762 -0.122 0.000 1.394 195 H HN 0.253 nan 8.280 nan 0.000 0.568 196 Y N 0.460 120.778 120.300 0.029 0.000 2.220 196 Y HA -0.058 4.492 4.550 -0.000 0.000 0.291 196 Y C -0.476 175.382 175.900 -0.070 0.000 1.129 196 Y CA 0.464 58.527 58.100 -0.062 0.000 1.161 196 Y CB -0.963 37.458 38.460 -0.066 0.000 0.997 196 Y HN 0.218 nan 8.280 nan 0.000 0.522 197 P HA -0.093 nan 4.420 nan 0.000 0.229 197 P C 1.267 178.566 177.300 -0.001 0.000 1.160 197 P CA 1.339 64.459 63.100 0.033 0.000 0.777 197 P CB 0.087 31.808 31.700 0.036 0.000 0.814 198 K N 0.007 120.401 120.400 -0.009 0.000 2.067 198 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 198 K C 1.904 178.452 176.600 -0.088 0.000 1.048 198 K CA 0.802 57.068 56.287 -0.034 0.000 0.954 198 K CB -0.519 31.973 32.500 -0.012 0.000 0.737 198 K HN 0.098 nan 8.250 nan 0.000 0.444 199 L N 1.243 122.370 121.223 -0.160 0.000 1.994 199 L HA -0.225 4.114 4.340 -0.000 0.000 0.208 199 L C 2.469 179.254 176.870 -0.141 0.000 1.071 199 L CA 0.737 55.442 54.840 -0.225 0.000 0.745 199 L CB -0.441 41.352 42.059 -0.444 0.000 0.892 199 L HN 0.200 nan 8.230 nan 0.000 0.431 200 L N -0.000 121.154 121.223 -0.115 0.000 1.978 200 L HA -0.312 4.028 4.340 -0.000 0.000 0.218 200 L C 2.745 179.578 176.870 -0.062 0.000 1.075 200 L CA 1.952 56.740 54.840 -0.087 0.000 0.767 200 L CB -1.205 40.814 42.059 -0.066 0.000 0.890 200 L HN 0.362 nan 8.230 nan 0.000 0.434 201 R N -0.497 119.977 120.500 -0.044 0.000 2.119 201 R HA -0.224 4.116 4.340 -0.000 0.000 0.246 201 R C 2.169 178.460 176.300 -0.016 0.000 1.146 201 R CA 1.925 58.011 56.100 -0.022 0.000 0.962 201 R CB -0.139 30.150 30.300 -0.018 0.000 0.863 201 R HN 0.406 nan 8.270 nan 0.000 0.442 202 A N -0.144 122.656 122.820 -0.034 0.000 1.897 202 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 202 A C 2.277 179.864 177.584 0.005 0.000 1.181 202 A CA 1.328 53.351 52.037 -0.024 0.000 0.620 202 A CB -0.474 18.498 19.000 -0.047 0.000 0.821 202 A HN 0.235 nan 8.150 nan 0.000 0.443 203 V N 0.292 120.200 119.914 -0.011 0.000 2.295 203 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 203 V C 2.685 178.774 176.094 -0.009 0.000 1.049 203 V CA 2.282 64.582 62.300 -0.000 0.000 1.024 203 V CB -0.695 31.121 31.823 -0.011 0.000 0.648 203 V HN 0.678 nan 8.190 nan 0.000 0.447 204 R N -0.548 119.932 120.500 -0.033 0.000 2.193 204 R HA -0.125 4.215 4.340 -0.000 0.000 0.229 204 R C 2.172 178.574 176.300 0.169 0.000 1.110 204 R CA 1.242 57.360 56.100 0.031 0.000 0.988 204 R CB 0.030 30.336 30.300 0.009 0.000 0.871 204 R HN 0.346 nan 8.270 nan 0.000 0.458 205 R N -0.888 119.700 120.500 0.146 0.000 2.369 205 R HA 0.148 4.488 4.340 -0.000 0.000 0.210 205 R C 1.196 177.590 176.300 0.157 0.000 0.881 205 R CA 0.192 56.402 56.100 0.183 0.000 1.031 205 R CB 0.526 30.871 30.300 0.076 0.000 1.184 205 R HN 0.076 nan 8.270 nan 0.000 0.581 206 K N 0.101 120.564 120.400 0.104 0.000 2.355 206 K HA 0.274 4.594 4.320 -0.000 0.000 0.198 206 K C 0.651 177.317 176.600 0.110 0.000 1.039 206 K CA 0.250 56.531 56.287 -0.010 0.000 1.075 206 K CB 1.919 34.392 32.500 -0.045 0.000 0.870 206 K HN 0.104 nan 8.250 nan 0.000 0.540 207 G N 0.236 109.189 108.800 0.256 0.000 2.523 207 G HA2 0.297 4.256 3.960 -0.000 0.000 0.291 207 G HA3 0.297 4.256 3.960 -0.000 0.000 0.291 207 G C -0.349 174.702 174.900 0.251 0.000 1.450 207 G CA -0.534 44.715 45.100 0.248 0.000 0.790 207 G HN -0.183 nan 8.290 nan 0.000 0.496 208 R N -1.033 119.521 120.500 0.089 0.000 2.243 208 R HA 0.221 4.561 4.340 -0.000 0.000 0.193 208 R C 0.853 177.034 176.300 -0.198 0.000 0.933 208 R CA 0.297 56.382 56.100 -0.025 0.000 1.105 208 R CB -0.314 29.845 30.300 -0.234 0.000 1.169 208 R HN 0.340 nan 8.270 nan 0.000 0.599 209 V N 3.896 123.626 119.914 -0.306 0.000 2.338 209 V HA 0.292 4.412 4.120 -0.000 0.000 0.255 209 V C 0.251 176.266 176.094 -0.131 0.000 1.082 209 V CA -0.223 61.844 62.300 -0.389 0.000 0.951 209 V CB 0.098 31.535 31.823 -0.643 0.000 1.102 209 V HN 0.029 nan 8.190 nan 0.000 0.489 210 I N 5.236 125.689 120.570 -0.194 0.000 2.354 210 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 210 I C -0.715 175.483 176.117 0.136 0.000 0.989 210 I CA -0.417 60.883 61.300 0.000 0.000 1.188 210 I CB 1.320 39.268 38.000 -0.087 0.000 1.342 210 I HN 0.405 nan 8.210 nan 0.000 0.457 211 Y N 6.525 127.023 120.300 0.330 0.000 2.328 211 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 211 Y C -0.076 176.041 175.900 0.361 0.000 0.966 211 Y CA -0.592 57.729 58.100 0.369 0.000 1.136 211 Y CB 1.254 39.849 38.460 0.224 0.000 1.170 211 Y HN 0.339 nan 8.280 nan 0.000 0.470 212 I N 3.428 124.330 120.570 0.554 0.000 2.389 212 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 212 I C -0.870 175.545 176.117 0.496 0.000 0.999 212 I CA -0.585 61.042 61.300 0.545 0.000 1.129 212 I CB 1.326 39.724 38.000 0.663 0.000 1.288 212 I HN 0.594 nan 8.210 nan 0.000 0.444 213 c N 6.843 125.701 118.600 0.429 0.000 2.258 213 c HA 0.771 5.341 4.570 -0.000 0.000 0.321 213 c C 0.248 174.532 174.090 0.324 0.000 1.168 213 c CA -0.067 56.447 56.329 0.309 0.000 1.531 213 c CB -1.294 41.337 42.510 0.201 0.000 2.095 213 c HN 0.910 nan 8.230 nan 0.000 0.449 214 S N 3.067 118.994 115.700 0.379 0.000 2.672 214 S HA 0.686 5.156 4.470 -0.000 0.000 0.271 214 S C -0.480 174.340 174.600 0.366 0.000 1.171 214 S CA -0.429 57.970 58.200 0.331 0.000 0.817 214 S CB 0.805 64.265 63.200 0.434 0.000 1.150 214 S HN 1.219 nan 8.310 nan 0.000 0.478 215 S N 0.854 116.716 115.700 0.269 0.000 2.579 215 S HA 0.358 4.828 4.470 -0.000 0.000 0.275 215 S C -1.597 173.164 174.600 0.269 0.000 1.345 215 S CA -0.647 57.694 58.200 0.235 0.000 1.031 215 S CB 0.024 63.323 63.200 0.165 0.000 0.892 215 S HN 0.624 nan 8.310 nan 0.000 0.529 216 P HA -0.124 nan 4.420 nan 0.000 0.216 216 P C 0.689 178.099 177.300 0.183 0.000 1.150 216 P CA 1.255 64.485 63.100 0.217 0.000 0.837 216 P CB -0.053 31.745 31.700 0.163 0.000 0.786 217 D N -0.343 120.151 120.400 0.157 0.000 2.178 217 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 217 D C 2.065 178.455 176.300 0.151 0.000 0.974 217 D CA 1.324 55.406 54.000 0.137 0.000 0.841 217 D CB -0.404 40.458 40.800 0.104 0.000 0.953 217 D HN 0.116 nan 8.370 nan 0.000 0.478 218 A N 0.264 123.203 122.820 0.198 0.000 1.929 218 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 218 A C 2.001 179.703 177.584 0.196 0.000 1.176 218 A CA 0.564 52.753 52.037 0.254 0.000 0.628 218 A CB -0.831 18.380 19.000 0.352 0.000 0.816 218 A HN 0.226 nan 8.150 nan 0.000 0.444 219 F N 0.486 120.439 119.950 0.004 0.000 2.234 219 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 219 F C 2.289 178.031 175.800 -0.097 0.000 1.087 219 F CA 1.486 59.394 58.000 -0.154 0.000 1.340 219 F CB -0.163 38.471 39.000 -0.610 0.000 1.031 219 F HN 0.111 nan 8.300 nan 0.000 0.500 220 R N 0.422 120.959 120.500 0.062 0.000 2.075 220 R HA -0.192 4.148 4.340 -0.000 0.000 0.230 220 R C 2.111 178.384 176.300 -0.045 0.000 1.140 220 R CA 1.778 57.966 56.100 0.147 0.000 0.928 220 R CB -0.683 29.753 30.300 0.227 0.000 0.834 220 R HN 0.289 nan 8.270 nan 0.000 0.429 221 N N 0.885 119.566 118.700 -0.032 0.000 2.137 221 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 221 N C 1.930 177.354 175.510 -0.143 0.000 1.017 221 N CA 1.262 54.262 53.050 -0.084 0.000 0.859 221 N CB -0.294 38.144 38.487 -0.082 0.000 1.002 221 N HN 0.245 nan 8.380 nan 0.000 0.428 222 L N 0.189 121.305 121.223 -0.179 0.000 2.093 222 L HA -0.053 4.286 4.340 -0.000 0.000 0.208 222 L C 2.288 178.854 176.870 -0.507 0.000 1.085 222 L CA 0.744 55.413 54.840 -0.285 0.000 0.755 222 L CB -0.217 41.655 42.059 -0.311 0.000 0.904 222 L HN 0.121 nan 8.230 nan 0.000 0.435 223 M N -0.798 118.409 119.600 -0.655 0.000 2.319 223 M HA -0.109 4.370 4.480 -0.000 0.000 0.265 223 M C 2.258 178.323 176.300 -0.392 0.000 1.068 223 M CA 1.508 56.369 55.300 -0.733 0.000 1.118 223 M CB -0.730 31.287 32.600 -0.973 0.000 1.395 223 M HN 0.242 nan 8.290 nan 0.000 0.435 224 L N -0.260 120.817 121.223 -0.244 0.000 2.005 224 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 224 L C 2.328 179.100 176.870 -0.164 0.000 1.072 224 L CA 1.077 55.825 54.840 -0.153 0.000 0.744 224 L CB -0.703 41.291 42.059 -0.109 0.000 0.895 224 L HN 0.205 nan 8.230 nan 0.000 0.433 225 L N -0.487 120.631 121.223 -0.175 0.000 2.131 225 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 225 L C 2.800 179.572 176.870 -0.163 0.000 1.092 225 L CA 0.970 55.723 54.840 -0.145 0.000 0.759 225 L CB -0.808 41.181 42.059 -0.116 0.000 0.903 225 L HN 0.258 nan 8.230 nan 0.000 0.435 226 A N -0.037 122.631 122.820 -0.253 0.000 1.933 226 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 226 A C 2.208 179.707 177.584 -0.141 0.000 1.175 226 A CA 1.529 53.410 52.037 -0.260 0.000 0.628 226 A CB -0.566 18.120 19.000 -0.524 0.000 0.814 226 A HN 0.286 nan 8.150 nan 0.000 0.444 227 L N 0.949 122.093 121.223 -0.131 0.000 1.955 227 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 227 L C 2.100 178.945 176.870 -0.042 0.000 1.072 227 L CA 2.315 57.117 54.840 -0.063 0.000 0.755 227 L CB -0.986 41.034 42.059 -0.066 0.000 0.888 227 L HN 0.465 nan 8.230 nan 0.000 0.432 228 N N -0.414 118.252 118.700 -0.056 0.000 2.133 228 N HA -0.266 4.474 4.740 -0.000 0.000 0.193 228 N C 1.622 177.114 175.510 -0.029 0.000 1.012 228 N CA 1.577 54.602 53.050 -0.042 0.000 0.871 228 N CB -0.255 38.200 38.487 -0.052 0.000 1.011 228 N HN 0.522 nan 8.380 nan 0.000 0.435 229 A N 0.483 123.280 122.820 -0.038 0.000 2.121 229 A HA 0.190 4.509 4.320 -0.000 0.000 0.218 229 A C 1.611 179.200 177.584 0.009 0.000 1.154 229 A CA 1.303 53.326 52.037 -0.024 0.000 0.679 229 A CB -0.334 18.636 19.000 -0.049 0.000 0.795 229 A HN 0.428 nan 8.150 nan 0.000 0.458 230 G N -1.482 107.331 108.800 0.020 0.000 2.140 230 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.211 230 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.211 230 G C -0.204 174.767 174.900 0.119 0.000 1.013 230 G CA 0.060 45.195 45.100 0.058 0.000 0.705 230 G HN 0.598 nan 8.290 nan 0.000 0.508 231 L N 1.704 122.997 121.223 0.117 0.000 2.265 231 L HA 0.762 5.102 4.340 -0.000 0.000 0.289 231 L C 0.629 177.669 176.870 0.283 0.000 1.033 231 L CA -0.268 54.725 54.840 0.255 0.000 0.814 231 L CB 1.430 43.490 42.059 0.002 0.000 1.203 231 L HN 0.291 nan 8.230 nan 0.000 0.423 232 T N -1.399 113.350 114.554 0.326 0.000 2.804 232 T HA 0.380 4.730 4.350 -0.000 0.000 0.290 232 T C 1.204 176.071 174.700 0.278 0.000 1.099 232 T CA -0.194 62.066 62.100 0.265 0.000 1.011 232 T CB 1.319 70.294 68.868 0.178 0.000 1.291 232 T HN 0.473 nan 8.240 nan 0.000 0.523 233 G N -0.193 108.772 108.800 0.274 0.000 2.550 233 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.222 233 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.222 233 G C 1.100 176.126 174.900 0.210 0.000 1.113 233 G CA 1.537 46.817 45.100 0.300 0.000 0.748 233 G HN 0.918 nan 8.290 nan 0.000 0.585 234 E N 0.290 120.575 120.200 0.141 0.000 2.055 234 E HA -0.213 4.137 4.350 -0.000 0.000 0.209 234 E C 1.597 178.184 176.600 -0.023 0.000 1.036 234 E CA 1.891 58.323 56.400 0.054 0.000 0.849 234 E CB -0.083 29.645 29.700 0.045 0.000 0.767 234 E HN 0.548 nan 8.360 nan 0.000 0.461 235 D N -2.380 117.969 120.400 -0.086 0.000 2.454 235 D HA 0.050 4.690 4.640 -0.000 0.000 0.219 235 D C -0.131 175.854 176.300 -0.525 0.000 1.081 235 D CA 0.175 53.961 54.000 -0.356 0.000 0.867 235 D CB 0.518 40.977 40.800 -0.567 0.000 1.054 235 D HN 0.131 nan 8.370 nan 0.000 0.500 236 Y N 0.327 120.612 120.300 -0.024 0.000 2.549 236 Y HA 0.501 5.051 4.550 -0.000 0.000 0.339 236 Y C -0.196 175.605 175.900 -0.166 0.000 1.053 236 Y CA -1.127 56.873 58.100 -0.166 0.000 1.105 236 Y CB 2.654 40.997 38.460 -0.194 0.000 1.258 236 Y HN -0.351 nan 8.280 nan 0.000 0.478 237 V N 2.917 122.670 119.914 -0.268 0.000 2.808 237 V HA 0.569 4.689 4.120 -0.000 0.000 0.308 237 V C -2.030 173.671 176.094 -0.655 0.000 1.099 237 V CA -0.956 61.188 62.300 -0.258 0.000 0.920 237 V CB 1.467 33.275 31.823 -0.026 0.000 1.014 237 V HN 0.608 nan 8.190 nan 0.000 0.425 238 F N 6.651 126.506 119.950 -0.160 0.000 2.445 238 F HA 0.609 5.136 4.527 -0.000 0.000 0.348 238 F C -0.387 175.366 175.800 -0.079 0.000 1.125 238 F CA -0.473 57.493 58.000 -0.056 0.000 0.983 238 F CB 1.495 40.517 39.000 0.037 0.000 1.198 238 F HN 0.355 nan 8.300 nan 0.000 0.436 239 F N 2.356 122.418 119.950 0.188 0.000 2.410 239 F HA 0.241 4.768 4.527 -0.000 0.000 0.349 239 F C 0.571 176.482 175.800 0.185 0.000 1.117 239 F CA -0.580 57.500 58.000 0.133 0.000 1.104 239 F CB 0.749 39.705 39.000 -0.073 0.000 1.122 239 F HN 0.445 nan 8.300 nan 0.000 0.483 240 H N 5.297 124.328 119.070 -0.065 0.000 2.640 240 H HA 0.306 4.861 4.556 -0.000 0.000 0.297 240 H C -0.309 174.960 175.328 -0.099 0.000 1.073 240 H CA -0.704 55.086 56.048 -0.431 0.000 1.305 240 H CB 0.782 29.719 29.762 -1.375 0.000 1.404 240 H HN 0.630 nan 8.280 nan 0.000 0.459 241 L N 5.895 127.083 121.223 -0.058 0.000 2.416 241 L HA -0.021 4.319 4.340 -0.000 0.000 0.243 241 L C 0.357 176.994 176.870 -0.387 0.000 1.373 241 L CA 0.078 54.841 54.840 -0.128 0.000 1.227 241 L CB -0.446 41.613 42.059 -0.001 0.000 1.428 241 L HN 0.585 nan 8.230 nan 0.000 0.425 242 D N 0.726 120.770 120.400 -0.593 0.000 2.564 242 D HA 0.095 4.735 4.640 -0.000 0.000 0.226 242 D C 1.306 177.409 176.300 -0.328 0.000 1.149 242 D CA -0.293 53.371 54.000 -0.559 0.000 0.994 242 D CB 0.810 41.181 40.800 -0.715 0.000 1.029 242 D HN 0.221 nan 8.370 nan 0.000 0.517 243 V N 0.503 120.205 119.914 -0.354 0.000 2.287 243 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 243 V C 1.692 177.394 176.094 -0.655 0.000 1.053 243 V CA 1.223 63.099 62.300 -0.706 0.000 1.027 243 V CB -1.138 30.022 31.823 -1.106 0.000 0.646 243 V HN 0.293 nan 8.190 nan 0.000 0.447 244 F N 2.204 122.056 119.950 -0.164 0.000 2.693 244 F HA 0.560 5.087 4.527 -0.000 0.000 0.303 244 F C 1.817 177.617 175.800 0.000 0.000 1.143 244 F CA 0.377 58.402 58.000 0.042 0.000 1.389 244 F CB -0.456 38.614 39.000 0.116 0.000 1.060 244 F HN 0.388 nan 8.300 nan 0.000 0.535 245 G N 1.277 110.101 108.800 0.040 0.000 2.393 245 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.299 245 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.299 245 G C 0.811 175.695 174.900 -0.028 0.000 0.990 245 G CA 0.378 45.440 45.100 -0.063 0.000 1.118 245 G HN 0.470 nan 8.290 nan 0.000 0.513 246 Q N -0.010 119.796 119.800 0.010 0.000 2.230 246 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 246 Q C 2.802 178.799 176.000 -0.006 0.000 0.963 246 Q CA 1.651 57.467 55.803 0.022 0.000 0.866 246 Q CB -0.008 28.764 28.738 0.056 0.000 0.931 246 Q HN 0.833 nan 8.270 nan 0.000 0.452 247 S N -0.411 115.277 115.700 -0.020 0.000 2.481 247 S HA 0.002 4.472 4.470 -0.000 0.000 0.231 247 S C 0.626 175.145 174.600 -0.134 0.000 0.996 247 S CA 0.206 58.387 58.200 -0.031 0.000 0.942 247 S CB -0.232 62.991 63.200 0.038 0.000 0.768 247 S HN 0.150 nan 8.310 nan 0.000 0.520 248 L N 0.242 121.353 121.223 -0.187 0.000 2.334 248 L HA 0.621 4.960 4.340 -0.000 0.000 0.270 248 L C -0.348 176.445 176.870 -0.127 0.000 1.018 248 L CA -1.164 53.544 54.840 -0.220 0.000 0.811 248 L CB 0.978 42.804 42.059 -0.388 0.000 1.271 248 L HN -0.208 nan 8.230 nan 0.000 0.443 249 K N 0.334 120.671 120.400 -0.104 0.000 2.138 249 K HA 0.536 4.856 4.320 -0.000 0.000 0.263 249 K C -0.483 176.108 176.600 -0.016 0.000 0.965 249 K CA -0.439 55.815 56.287 -0.054 0.000 0.868 249 K CB 1.900 34.366 32.500 -0.057 0.000 1.083 249 K HN 0.536 nan 8.250 nan 0.000 0.443 250 S N 0.722 116.430 115.700 0.014 0.000 2.713 250 S HA 0.523 4.993 4.470 -0.000 0.000 0.277 250 S C -0.273 174.354 174.600 0.045 0.000 1.168 250 S CA 0.198 58.431 58.200 0.055 0.000 0.994 250 S CB 0.824 64.071 63.200 0.078 0.000 1.054 250 S HN 0.787 nan 8.310 nan 0.000 0.555 251 A N 1.659 124.517 122.820 0.063 0.000 2.511 251 A HA -0.150 4.170 4.320 -0.000 0.000 0.297 251 A C 0.961 178.565 177.584 0.033 0.000 1.476 251 A CA 0.765 52.830 52.037 0.045 0.000 0.757 251 A CB -1.485 17.529 19.000 0.022 0.000 1.072 251 A HN 0.654 nan 8.150 nan 0.000 0.413 252 Q N -1.036 118.791 119.800 0.045 0.000 2.444 252 Q HA 0.273 4.613 4.340 -0.000 0.000 0.206 252 Q C 1.937 177.958 176.000 0.035 0.000 0.948 252 Q CA 1.693 57.517 55.803 0.033 0.000 0.946 252 Q CB 0.029 28.791 28.738 0.040 0.000 1.027 252 Q HN 1.874 nan 8.270 nan 0.000 0.513 253 G N 1.120 109.945 108.800 0.042 0.000 4.951 253 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.295 253 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.295 253 G C -0.037 174.893 174.900 0.051 0.000 1.540 253 G CA 0.052 45.175 45.100 0.039 0.000 1.044 253 G HN 0.311 nan 8.290 nan 0.000 0.731 254 L N 0.225 121.478 121.223 0.049 0.000 2.514 254 L HA 0.694 5.034 4.340 -0.000 0.000 0.257 254 L C -0.737 176.168 176.870 0.057 0.000 1.101 254 L CA -0.607 54.267 54.840 0.056 0.000 0.911 254 L CB 2.001 44.089 42.059 0.047 0.000 1.162 254 L HN 0.343 nan 8.230 nan 0.000 0.477 255 V N 2.540 122.497 119.914 0.071 0.000 2.668 255 V HA 0.444 4.564 4.120 -0.000 0.000 0.304 255 V C -1.990 174.157 176.094 0.089 0.000 1.071 255 V CA -1.244 61.095 62.300 0.065 0.000 0.894 255 V CB 3.072 34.920 31.823 0.042 0.000 1.008 255 V HN 0.436 nan 8.190 nan 0.000 0.425 256 P HA 0.081 nan 4.420 nan 0.000 0.257 256 P C -0.622 176.727 177.300 0.082 0.000 1.189 256 P CA -0.052 63.107 63.100 0.098 0.000 0.780 256 P CB 0.406 32.151 31.700 0.074 0.000 0.772 257 Q N 3.295 123.171 119.800 0.127 0.000 2.296 257 Q HA 0.105 4.445 4.340 -0.000 0.000 0.262 257 Q C -0.161 175.829 176.000 -0.016 0.000 0.981 257 Q CA 0.183 56.015 55.803 0.048 0.000 0.905 257 Q CB 0.539 29.312 28.738 0.057 0.000 1.186 257 Q HN 0.310 nan 8.270 nan 0.000 0.399 258 K N 6.507 126.792 120.400 -0.192 0.000 2.244 258 K HA 0.256 4.576 4.320 -0.000 0.000 0.263 258 K C -1.961 174.257 176.600 -0.636 0.000 1.103 258 K CA -1.552 54.449 56.287 -0.476 0.000 0.966 258 K CB 0.983 33.069 32.500 -0.690 0.000 1.429 258 K HN 0.339 nan 8.250 nan 0.000 0.434 259 P HA -0.187 nan 4.420 nan 0.000 0.215 259 P C 0.773 177.808 177.300 -0.442 0.000 1.157 259 P CA 1.071 63.942 63.100 -0.382 0.000 0.863 259 P CB -0.111 31.416 31.700 -0.288 0.000 0.787 260 W N 0.429 121.497 121.300 -0.387 0.000 2.905 260 W HA 0.155 4.815 4.660 -0.000 0.000 0.251 260 W C 0.166 176.545 176.519 -0.235 0.000 1.305 260 W CA -0.235 56.835 57.345 -0.458 0.000 1.465 260 W CB -1.036 27.789 29.460 -1.059 0.000 1.122 260 W HN -0.005 nan 8.180 nan 0.000 0.659 261 E N 2.659 121.924 120.200 -1.557 0.000 3.072 261 E HA -0.195 4.155 4.350 -0.000 0.000 0.241 261 E C 0.228 176.711 176.600 -0.196 0.000 0.962 261 E CA 0.819 56.450 56.400 -1.280 0.000 0.955 261 E CB 0.504 29.655 29.700 -0.916 0.000 0.899 261 E HN 0.183 nan 8.360 nan 0.000 0.547 262 R N 2.069 122.708 120.500 0.231 0.000 2.635 262 R HA 0.165 4.505 4.340 -0.000 0.000 0.241 262 R C 0.587 176.966 176.300 0.131 0.000 0.941 262 R CA 0.791 56.978 56.100 0.145 0.000 1.014 262 R CB 0.488 30.880 30.300 0.153 0.000 1.517 262 R HN 0.654 nan 8.270 nan 0.000 0.594 263 G N 2.164 111.088 108.800 0.207 0.000 2.324 263 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.292 263 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.292 263 G C -0.276 174.665 174.900 0.069 0.000 1.079 263 G CA 0.713 45.889 45.100 0.127 0.000 1.026 263 G HN 0.534 nan 8.290 nan 0.000 0.506 264 D N -2.005 118.429 120.400 0.057 0.000 2.503 264 D HA 0.420 5.059 4.640 -0.000 0.000 0.218 264 D C 1.742 178.040 176.300 -0.004 0.000 1.183 264 D CA 0.762 54.774 54.000 0.021 0.000 0.827 264 D CB -0.113 40.697 40.800 0.018 0.000 1.034 264 D HN 1.480 nan 8.370 nan 0.000 0.510 265 G N 0.762 109.556 108.800 -0.010 0.000 2.284 265 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.230 265 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.230 265 G C 0.979 175.835 174.900 -0.074 0.000 1.021 265 G CA 0.174 45.253 45.100 -0.035 0.000 0.619 265 G HN 0.377 nan 8.290 nan 0.000 0.510 266 Q N 0.450 120.198 119.800 -0.086 0.000 2.373 266 Q HA 0.132 4.472 4.340 -0.000 0.000 0.206 266 Q C 1.245 177.100 176.000 -0.241 0.000 0.942 266 Q CA 0.507 56.234 55.803 -0.127 0.000 0.953 266 Q CB 0.054 28.734 28.738 -0.095 0.000 1.022 266 Q HN 0.572 nan 8.270 nan 0.000 0.502 267 D N 0.380 120.597 120.400 -0.304 0.000 2.178 267 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 267 D C 1.541 177.464 176.300 -0.630 0.000 0.974 267 D CA 1.001 54.599 54.000 -0.671 0.000 0.841 267 D CB 0.113 40.607 40.800 -0.511 0.000 0.953 267 D HN 0.141 nan 8.370 nan 0.000 0.478 268 R N 0.204 120.508 120.500 -0.327 0.000 2.062 268 R HA 0.038 4.377 4.340 -0.000 0.000 0.229 268 R C 2.343 178.518 176.300 -0.208 0.000 1.128 268 R CA 1.093 57.053 56.100 -0.232 0.000 0.960 268 R CB -0.006 30.215 30.300 -0.131 0.000 0.855 268 R HN 0.034 nan 8.270 nan 0.000 0.432 269 S N 0.911 116.504 115.700 -0.178 0.000 2.368 269 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 269 S C 2.067 176.584 174.600 -0.140 0.000 1.030 269 S CA 1.180 59.303 58.200 -0.129 0.000 0.999 269 S CB -0.309 62.828 63.200 -0.106 0.000 0.844 269 S HN 0.466 nan 8.310 nan 0.000 0.459 270 A N 2.659 125.340 122.820 -0.231 0.000 1.859 270 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 270 A C 2.150 179.670 177.584 -0.107 0.000 1.198 270 A CA 1.844 53.756 52.037 -0.208 0.000 0.629 270 A CB -0.781 17.878 19.000 -0.568 0.000 0.830 270 A HN 0.392 nan 8.150 nan 0.000 0.446 271 R N -0.508 119.768 120.500 -0.374 0.000 2.117 271 R HA -0.209 4.130 4.340 -0.000 0.000 0.243 271 R C 2.381 178.692 176.300 0.018 0.000 1.143 271 R CA 1.992 57.992 56.100 -0.166 0.000 0.968 271 R CB -0.448 29.713 30.300 -0.232 0.000 0.863 271 R HN 0.776 nan 8.270 nan 0.000 0.444 272 Q N -0.483 119.300 119.800 -0.028 0.000 2.030 272 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 272 Q C 1.919 177.952 176.000 0.056 0.000 0.986 272 Q CA 2.092 57.899 55.803 0.007 0.000 0.843 272 Q CB -0.089 28.640 28.738 -0.016 0.000 0.904 272 Q HN 0.476 nan 8.270 nan 0.000 0.420 273 A N -0.477 122.374 122.820 0.052 0.000 1.970 273 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 273 A C 1.532 179.150 177.584 0.056 0.000 1.170 273 A CA 0.527 52.577 52.037 0.022 0.000 0.645 273 A CB -0.628 18.319 19.000 -0.087 0.000 0.816 273 A HN 0.415 nan 8.150 nan 0.000 0.447 274 F N 0.754 120.733 119.950 0.048 0.000 2.664 274 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 274 F C 2.319 178.273 175.800 0.258 0.000 1.164 274 F CA 1.143 59.273 58.000 0.217 0.000 1.472 274 F CB -0.163 39.015 39.000 0.297 0.000 1.108 274 F HN 0.370 nan 8.300 nan 0.000 0.596 275 Q N -0.792 119.148 119.800 0.232 0.000 2.096 275 Q HA -0.034 4.306 4.340 -0.000 0.000 0.197 275 Q C 2.404 178.542 176.000 0.230 0.000 0.964 275 Q CA 1.103 56.984 55.803 0.131 0.000 0.838 275 Q CB -0.201 28.577 28.738 0.067 0.000 0.906 275 Q HN 0.373 nan 8.270 nan 0.000 0.444 276 A N 0.504 123.475 122.820 0.252 0.000 2.206 276 A HA 0.274 4.594 4.320 -0.000 0.000 0.211 276 A C 0.876 178.617 177.584 0.262 0.000 1.158 276 A CA 0.452 52.664 52.037 0.293 0.000 0.761 276 A CB -0.104 19.135 19.000 0.399 0.000 0.801 276 A HN 0.276 nan 8.150 nan 0.000 0.473 277 A N 0.465 123.444 122.820 0.266 0.000 2.328 277 A HA 0.590 4.910 4.320 -0.000 0.000 0.284 277 A C 0.050 177.916 177.584 0.469 0.000 1.160 277 A CA -0.311 51.915 52.037 0.316 0.000 0.818 277 A CB 0.293 19.351 19.000 0.098 0.000 1.087 277 A HN 0.356 nan 8.150 nan 0.000 0.504 278 K N 2.105 122.681 120.400 0.293 0.000 2.427 278 K HA 0.573 4.892 4.320 -0.000 0.000 0.252 278 K C -1.492 175.294 176.600 0.310 0.000 0.931 278 K CA -0.357 56.169 56.287 0.399 0.000 0.793 278 K CB 2.391 35.014 32.500 0.204 0.000 1.211 278 K HN 0.654 nan 8.250 nan 0.000 0.426 279 I N 3.985 124.740 120.570 0.308 0.000 2.362 279 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 279 I C -0.409 175.867 176.117 0.264 0.000 0.994 279 I CA -0.762 60.606 61.300 0.113 0.000 1.158 279 I CB 1.137 39.027 38.000 -0.184 0.000 1.315 279 I HN 0.378 nan 8.210 nan 0.000 0.451 280 I N 6.354 127.033 120.570 0.181 0.000 2.321 280 I HA 0.321 4.490 4.170 -0.000 0.000 0.291 280 I C 0.531 176.673 176.117 0.041 0.000 0.998 280 I CA 0.055 61.469 61.300 0.191 0.000 1.227 280 I CB 1.463 39.575 38.000 0.186 0.000 1.368 280 I HN 0.630 nan 8.210 nan 0.000 0.466 281 T N 2.043 116.690 114.554 0.155 0.000 2.831 281 T HA 0.507 4.857 4.350 -0.000 0.000 0.287 281 T C -0.336 174.440 174.700 0.128 0.000 1.070 281 T CA -0.763 61.361 62.100 0.040 0.000 1.010 281 T CB 0.785 69.717 68.868 0.107 0.000 1.264 281 T HN 0.247 nan 8.240 nan 0.000 0.532 282 Y N 0.672 120.996 120.300 0.039 0.000 2.357 282 Y HA 0.323 4.873 4.550 -0.000 0.000 0.340 282 Y C 1.240 177.107 175.900 -0.055 0.000 1.260 282 Y CA -0.785 57.193 58.100 -0.202 0.000 1.425 282 Y CB 0.743 39.037 38.460 -0.276 0.000 1.326 282 Y HN 0.552 nan 8.280 nan 0.000 0.580 283 K N 2.454 122.872 120.400 0.030 0.000 2.205 283 K HA 0.087 4.407 4.320 -0.000 0.000 0.279 283 K C -0.651 175.960 176.600 0.018 0.000 1.027 283 K CA -0.437 55.872 56.287 0.036 0.000 0.932 283 K CB 0.692 33.180 32.500 -0.020 0.000 1.032 283 K HN 0.659 nan 8.250 nan 0.000 0.466 284 E N 4.979 125.221 120.200 0.070 0.000 2.259 284 E HA 0.164 4.514 4.350 -0.000 0.000 0.281 284 E C -2.233 174.331 176.600 -0.059 0.000 1.037 284 E CA -2.179 54.249 56.400 0.048 0.000 0.854 284 E CB 0.838 30.652 29.700 0.191 0.000 1.051 284 E HN 0.377 nan 8.360 nan 0.000 0.409 285 P HA -0.057 nan 4.420 nan 0.000 0.265 285 P C -0.339 176.938 177.300 -0.038 0.000 1.187 285 P CA 0.196 63.129 63.100 -0.278 0.000 0.766 285 P CB 0.625 31.898 31.700 -0.710 0.000 0.820 286 D N 0.381 120.785 120.400 0.005 0.000 2.262 286 D HA -0.035 4.605 4.640 -0.000 0.000 0.212 286 D C 0.553 176.905 176.300 0.087 0.000 0.964 286 D CA 0.489 54.525 54.000 0.059 0.000 0.875 286 D CB -0.180 40.639 40.800 0.030 0.000 0.996 286 D HN 0.522 nan 8.370 nan 0.000 0.497 287 N N 2.751 121.493 118.700 0.071 0.000 2.292 287 N HA -0.075 4.664 4.740 -0.000 0.000 0.242 287 N C -1.874 173.715 175.510 0.133 0.000 1.243 287 N CA -0.337 52.764 53.050 0.085 0.000 0.851 287 N CB 0.985 39.514 38.487 0.069 0.000 1.093 287 N HN 0.016 nan 8.380 nan 0.000 0.450 288 P HA -0.053 nan 4.420 nan 0.000 0.229 288 P C 0.519 177.893 177.300 0.125 0.000 1.160 288 P CA 1.101 64.263 63.100 0.104 0.000 0.777 288 P CB 0.279 32.021 31.700 0.070 0.000 0.814 289 E N -1.136 119.145 120.200 0.135 0.000 2.204 289 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 289 E C 1.933 178.672 176.600 0.231 0.000 0.989 289 E CA 0.805 57.295 56.400 0.150 0.000 0.824 289 E CB -0.858 28.915 29.700 0.122 0.000 0.756 289 E HN 0.249 nan 8.360 nan 0.000 0.477 290 Y N 1.077 121.439 120.300 0.104 0.000 2.109 290 Y HA -0.172 4.378 4.550 -0.000 0.000 0.285 290 Y C 1.747 177.766 175.900 0.199 0.000 1.131 290 Y CA 1.441 59.631 58.100 0.149 0.000 1.121 290 Y CB -0.449 38.072 38.460 0.102 0.000 0.987 290 Y HN -0.041 nan 8.280 nan 0.000 0.495 291 L N -0.038 121.243 121.223 0.098 0.000 2.013 291 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 291 L C 2.400 179.254 176.870 -0.028 0.000 1.073 291 L CA 1.788 56.616 54.840 -0.020 0.000 0.753 291 L CB -0.687 41.400 42.059 0.045 0.000 0.890 291 L HN 0.218 nan 8.230 nan 0.000 0.432 292 E N -0.349 119.874 120.200 0.039 0.000 2.204 292 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 292 E C 1.902 178.512 176.600 0.017 0.000 0.989 292 E CA 1.099 57.515 56.400 0.028 0.000 0.824 292 E CB -0.304 29.431 29.700 0.059 0.000 0.756 292 E HN 0.489 nan 8.360 nan 0.000 0.477 293 F N 1.030 120.925 119.950 -0.091 0.000 2.163 293 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 293 F C 1.979 177.675 175.800 -0.173 0.000 1.094 293 F CA 0.848 58.772 58.000 -0.127 0.000 1.290 293 F CB -0.253 38.688 39.000 -0.098 0.000 1.017 293 F HN -0.102 nan 8.300 nan 0.000 0.483 294 L N 0.612 121.604 121.223 -0.385 0.000 2.083 294 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 294 L C 2.485 179.142 176.870 -0.355 0.000 1.083 294 L CA 1.473 56.037 54.840 -0.461 0.000 0.752 294 L CB -0.739 41.119 42.059 -0.335 0.000 0.899 294 L HN 0.063 nan 8.230 nan 0.000 0.433 295 K N -0.275 119.981 120.400 -0.240 0.000 2.057 295 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 295 K C 2.181 178.666 176.600 -0.192 0.000 1.049 295 K CA 1.432 57.617 56.287 -0.169 0.000 0.931 295 K CB -0.155 32.284 32.500 -0.103 0.000 0.714 295 K HN 0.402 nan 8.250 nan 0.000 0.440 296 Q N 0.597 120.255 119.800 -0.236 0.000 2.123 296 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 296 Q C 2.150 177.971 176.000 -0.298 0.000 0.966 296 Q CA 0.797 56.470 55.803 -0.217 0.000 0.845 296 Q CB -0.061 28.572 28.738 -0.176 0.000 0.907 296 Q HN 0.147 nan 8.270 nan 0.000 0.439 297 L N 1.193 122.103 121.223 -0.522 0.000 2.012 297 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 297 L C 1.863 178.557 176.870 -0.295 0.000 1.073 297 L CA 1.887 56.407 54.840 -0.534 0.000 0.748 297 L CB -0.203 41.344 42.059 -0.854 0.000 0.891 297 L HN -0.013 nan 8.230 nan 0.000 0.431 298 K N -0.685 119.568 120.400 -0.245 0.000 2.009 298 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 298 K C 2.101 178.643 176.600 -0.097 0.000 1.049 298 K CA 2.051 58.252 56.287 -0.142 0.000 0.929 298 K CB -0.469 31.952 32.500 -0.132 0.000 0.714 298 K HN 0.295 nan 8.250 nan 0.000 0.440 299 L N 0.494 121.658 121.223 -0.099 0.000 2.042 299 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 299 L C 2.366 179.220 176.870 -0.027 0.000 1.076 299 L CA 0.691 55.496 54.840 -0.059 0.000 0.749 299 L CB -0.287 41.736 42.059 -0.059 0.000 0.893 299 L HN 0.189 nan 8.230 nan 0.000 0.432 300 L N -0.595 120.604 121.223 -0.040 0.000 2.179 300 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 300 L C 2.495 179.443 176.870 0.130 0.000 1.096 300 L CA 1.723 56.580 54.840 0.028 0.000 0.779 300 L CB -0.614 41.446 42.059 0.001 0.000 0.922 300 L HN 0.127 nan 8.230 nan 0.000 0.443 301 A N -1.016 121.829 122.820 0.042 0.000 1.929 301 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 301 A C 2.070 179.766 177.584 0.188 0.000 1.176 301 A CA 1.676 53.780 52.037 0.111 0.000 0.628 301 A CB -0.768 18.246 19.000 0.023 0.000 0.816 301 A HN 0.525 nan 8.150 nan 0.000 0.444 302 D N -1.014 119.438 120.400 0.087 0.000 2.149 302 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 302 D C 2.036 178.372 176.300 0.060 0.000 0.972 302 D CA 1.156 55.188 54.000 0.053 0.000 0.835 302 D CB 0.039 40.837 40.800 -0.004 0.000 0.966 302 D HN 0.262 nan 8.370 nan 0.000 0.476 303 K N -0.297 120.141 120.400 0.063 0.000 2.186 303 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 303 K C 1.378 177.995 176.600 0.028 0.000 1.052 303 K CA 0.820 57.130 56.287 0.039 0.000 0.965 303 K CB 0.254 32.770 32.500 0.027 0.000 0.746 303 K HN -0.010 nan 8.250 nan 0.000 0.457 304 K N -1.809 118.621 120.400 0.051 0.000 2.521 304 K HA 0.170 4.490 4.320 -0.000 0.000 0.213 304 K C 0.636 177.076 176.600 -0.267 0.000 1.223 304 K CA -0.116 56.110 56.287 -0.103 0.000 1.013 304 K CB 0.720 33.120 32.500 -0.167 0.000 1.017 304 K HN -0.104 nan 8.250 nan 0.000 0.591 305 F N 0.769 120.716 119.950 -0.006 0.000 2.706 305 F HA 0.268 4.794 4.527 -0.000 0.000 0.308 305 F C 0.041 175.877 175.800 0.060 0.000 1.095 305 F CA -0.126 57.874 58.000 0.000 0.000 1.244 305 F CB 0.227 39.186 39.000 -0.069 0.000 1.063 305 F HN -0.019 nan 8.300 nan 0.000 0.582 306 N N -0.024 118.793 118.700 0.195 0.000 2.776 306 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 306 N C -0.506 175.136 175.510 0.219 0.000 1.111 306 N CA 0.233 53.373 53.050 0.151 0.000 0.711 306 N CB -1.207 37.347 38.487 0.112 0.000 1.065 306 N HN 0.294 nan 8.380 nan 0.000 0.556 307 F N 0.043 120.024 119.950 0.052 0.000 2.603 307 F HA 0.448 4.975 4.527 -0.000 0.000 0.317 307 F C -0.316 175.474 175.800 -0.017 0.000 1.066 307 F CA -0.370 57.638 58.000 0.013 0.000 0.941 307 F CB 1.956 40.961 39.000 0.007 0.000 1.291 307 F HN -0.243 nan 8.300 nan 0.000 0.472 308 T N 4.154 118.204 114.554 -0.839 0.000 2.874 308 T HA 0.357 4.707 4.350 -0.000 0.000 0.321 308 T C -0.898 173.393 174.700 -0.681 0.000 1.075 308 T CA -0.381 61.379 62.100 -0.568 0.000 0.966 308 T CB 0.606 69.208 68.868 -0.445 0.000 1.001 308 T HN 0.369 nan 8.240 nan 0.000 0.476 309 V N 5.792 125.594 119.914 -0.187 0.000 2.415 309 V HA 0.115 4.235 4.120 -0.000 0.000 0.267 309 V C 0.946 176.997 176.094 -0.072 0.000 1.042 309 V CA -0.311 61.997 62.300 0.014 0.000 1.000 309 V CB 0.041 31.906 31.823 0.070 0.000 1.015 309 V HN 0.749 nan 8.190 nan 0.000 0.478 310 E N 3.001 123.160 120.200 -0.069 0.000 2.376 310 E HA 0.214 4.563 4.350 -0.000 0.000 0.254 310 E C -0.462 176.130 176.600 -0.012 0.000 1.213 310 E CA -0.458 55.907 56.400 -0.058 0.000 0.945 310 E CB 0.859 30.523 29.700 -0.060 0.000 1.057 310 E HN 0.546 nan 8.360 nan 0.000 0.479 311 D N -0.726 119.670 120.400 -0.007 0.000 2.225 311 D HA 0.546 5.186 4.640 -0.000 0.000 0.249 311 D C -0.031 176.303 176.300 0.057 0.000 1.052 311 D CA 0.260 54.274 54.000 0.023 0.000 0.909 311 D CB 1.619 42.430 40.800 0.018 0.000 1.186 311 D HN 0.537 nan 8.370 nan 0.000 0.431 312 G N 0.497 109.362 108.800 0.108 0.000 2.350 312 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.305 312 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.305 312 G C 0.448 175.488 174.900 0.234 0.000 1.479 312 G CA -0.807 44.380 45.100 0.146 0.000 0.949 312 G HN 0.425 nan 8.290 nan 0.000 0.651 313 L N -0.108 121.286 121.223 0.284 0.000 2.261 313 L HA -0.061 4.279 4.340 -0.000 0.000 0.216 313 L C 2.876 180.061 176.870 0.526 0.000 1.114 313 L CA 1.353 56.428 54.840 0.392 0.000 0.777 313 L CB -0.187 42.113 42.059 0.402 0.000 0.910 313 L HN 0.622 nan 8.230 nan 0.000 0.440 314 K N -0.269 120.392 120.400 0.436 0.000 2.360 314 K HA -0.129 4.191 4.320 -0.000 0.000 0.201 314 K C 1.578 178.343 176.600 0.276 0.000 1.046 314 K CA 0.724 57.170 56.287 0.265 0.000 0.945 314 K CB -0.145 32.278 32.500 -0.129 0.000 0.750 314 K HN 0.312 nan 8.250 nan 0.000 0.464 315 N N 1.369 120.242 118.700 0.288 0.000 2.453 315 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 315 N C 1.650 177.406 175.510 0.410 0.000 1.041 315 N CA 0.828 54.058 53.050 0.300 0.000 0.900 315 N CB -0.089 38.551 38.487 0.255 0.000 0.961 315 N HN 0.417 nan 8.380 nan 0.000 0.443 316 I N -2.591 118.221 120.570 0.404 0.000 2.676 316 I HA -0.076 4.093 4.170 -0.000 0.000 0.259 316 I C 1.543 177.820 176.117 0.267 0.000 1.194 316 I CA 0.611 62.088 61.300 0.294 0.000 1.473 316 I CB -0.131 37.934 38.000 0.108 0.000 1.096 316 I HN -0.171 nan 8.210 nan 0.000 0.443 317 I N 2.378 123.164 120.570 0.360 0.000 2.142 317 I HA -0.082 4.088 4.170 -0.000 0.000 0.240 317 I C 0.091 176.486 176.117 0.465 0.000 1.078 317 I CA 1.489 63.042 61.300 0.422 0.000 1.343 317 I CB -2.931 35.392 38.000 0.538 0.000 1.046 317 I HN 0.251 nan 8.210 nan 0.000 0.405 318 P HA -0.055 nan 4.420 nan 0.000 0.221 318 P C 1.446 178.984 177.300 0.397 0.000 1.150 318 P CA 1.573 64.878 63.100 0.343 0.000 0.800 318 P CB 0.059 31.878 31.700 0.197 0.000 0.787 319 A N -0.126 122.894 122.820 0.332 0.000 1.968 319 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 319 A C 2.421 180.035 177.584 0.050 0.000 1.169 319 A CA 1.535 53.579 52.037 0.011 0.000 0.638 319 A CB -1.259 17.792 19.000 0.085 0.000 0.812 319 A HN 0.138 nan 8.150 nan 0.000 0.446 320 S N -1.330 114.449 115.700 0.132 0.000 2.436 320 S HA 0.049 4.519 4.470 -0.000 0.000 0.228 320 S C 1.456 176.065 174.600 0.015 0.000 1.014 320 S CA 0.564 58.783 58.200 0.032 0.000 0.950 320 S CB -0.409 62.783 63.200 -0.012 0.000 0.784 320 S HN 0.542 nan 8.310 nan 0.000 0.504 321 F N 1.491 121.488 119.950 0.078 0.000 2.146 321 F HA -0.082 4.444 4.527 -0.000 0.000 0.298 321 F C 2.445 178.305 175.800 0.100 0.000 1.096 321 F CA 1.561 59.615 58.000 0.090 0.000 1.275 321 F CB -0.501 38.581 39.000 0.138 0.000 1.008 321 F HN 0.366 nan 8.300 nan 0.000 0.480 322 H N 0.041 119.226 119.070 0.192 0.000 2.290 322 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 322 H C 1.539 176.897 175.328 0.050 0.000 1.087 322 H CA 2.127 58.245 56.048 0.115 0.000 1.291 322 H CB -0.202 29.583 29.762 0.039 0.000 1.369 322 H HN 0.142 nan 8.280 nan 0.000 0.492 323 D N -0.199 120.170 120.400 -0.052 0.000 2.117 323 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 323 D C 2.367 178.564 176.300 -0.171 0.000 0.987 323 D CA 1.218 55.158 54.000 -0.099 0.000 0.829 323 D CB -0.885 39.910 40.800 -0.009 0.000 0.961 323 D HN 0.577 nan 8.370 nan 0.000 0.460 324 G N 0.702 109.405 108.800 -0.161 0.000 2.440 324 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.218 324 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.218 324 G C 1.541 176.352 174.900 -0.148 0.000 1.154 324 G CA 0.546 45.522 45.100 -0.206 0.000 0.767 324 G HN 0.256 nan 8.290 nan 0.000 0.552 325 L N 0.138 121.315 121.223 -0.075 0.000 2.217 325 L HA 0.234 4.574 4.340 -0.000 0.000 0.211 325 L C 2.538 179.408 176.870 -0.000 0.000 1.107 325 L CA 1.078 55.927 54.840 0.015 0.000 0.783 325 L CB -0.209 41.895 42.059 0.076 0.000 0.919 325 L HN 0.191 nan 8.230 nan 0.000 0.442 326 L N -1.694 119.463 121.223 -0.109 0.000 2.095 326 L HA -0.133 4.207 4.340 -0.000 0.000 0.204 326 L C 2.360 179.088 176.870 -0.236 0.000 1.080 326 L CA 0.698 55.481 54.840 -0.095 0.000 0.759 326 L CB -0.490 41.545 42.059 -0.040 0.000 0.914 326 L HN 0.319 nan 8.230 nan 0.000 0.439 327 L N -0.747 120.151 121.223 -0.542 0.000 2.079 327 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 327 L C 2.439 179.109 176.870 -0.334 0.000 1.081 327 L CA 1.876 56.215 54.840 -0.835 0.000 0.752 327 L CB -0.770 40.790 42.059 -0.832 0.000 0.896 327 L HN 0.220 nan 8.230 nan 0.000 0.433 328 Y N -0.875 119.259 120.300 -0.277 0.000 2.163 328 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 328 Y C 2.351 178.163 175.900 -0.147 0.000 1.136 328 Y CA 2.021 60.014 58.100 -0.177 0.000 1.147 328 Y CB -0.639 37.742 38.460 -0.132 0.000 0.987 328 Y HN -0.021 nan 8.280 nan 0.000 0.509 329 V N 0.803 120.588 119.914 -0.215 0.000 2.392 329 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 329 V C 2.406 178.368 176.094 -0.220 0.000 1.059 329 V CA 2.325 64.471 62.300 -0.257 0.000 1.051 329 V CB -0.724 31.055 31.823 -0.073 0.000 0.658 329 V HN 0.508 nan 8.190 nan 0.000 0.455 330 Q N -0.001 119.711 119.800 -0.147 0.000 2.084 330 Q HA -0.161 4.178 4.340 -0.000 0.000 0.202 330 Q C 2.158 178.079 176.000 -0.132 0.000 0.978 330 Q CA 2.182 57.941 55.803 -0.073 0.000 0.844 330 Q CB -0.422 28.337 28.738 0.035 0.000 0.898 330 Q HN 0.619 nan 8.270 nan 0.000 0.426 331 A N -0.470 122.229 122.820 -0.202 0.000 1.902 331 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 331 A C 2.231 179.656 177.584 -0.264 0.000 1.181 331 A CA 1.622 53.536 52.037 -0.204 0.000 0.623 331 A CB -0.835 18.046 19.000 -0.198 0.000 0.818 331 A HN 0.296 nan 8.150 nan 0.000 0.443 332 V N -0.170 119.488 119.914 -0.427 0.000 2.343 332 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 332 V C 2.682 178.611 176.094 -0.276 0.000 1.051 332 V CA 2.450 64.490 62.300 -0.433 0.000 1.036 332 V CB -1.550 29.897 31.823 -0.627 0.000 0.654 332 V HN 0.586 nan 8.190 nan 0.000 0.451 333 T N -0.339 114.085 114.554 -0.218 0.000 2.684 333 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 333 T C 1.864 176.515 174.700 -0.082 0.000 1.036 333 T CA 1.867 63.897 62.100 -0.116 0.000 1.148 333 T CB -0.262 68.562 68.868 -0.073 0.000 0.863 333 T HN 0.572 nan 8.240 nan 0.000 0.436 334 E N 0.280 120.428 120.200 -0.087 0.000 2.077 334 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 334 E C 2.457 179.018 176.600 -0.065 0.000 0.989 334 E CA 1.319 57.682 56.400 -0.061 0.000 0.800 334 E CB -0.143 29.523 29.700 -0.057 0.000 0.746 334 E HN 0.334 nan 8.360 nan 0.000 0.452 335 T N 0.899 115.395 114.554 -0.097 0.000 2.746 335 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 335 T C 1.810 176.471 174.700 -0.064 0.000 1.039 335 T CA 0.802 62.848 62.100 -0.091 0.000 1.142 335 T CB -0.117 68.673 68.868 -0.129 0.000 0.866 335 T HN 0.086 nan 8.240 nan 0.000 0.444 336 L N 0.614 121.798 121.223 -0.065 0.000 2.093 336 L HA -0.010 4.329 4.340 -0.000 0.000 0.208 336 L C 2.910 179.783 176.870 0.006 0.000 1.085 336 L CA 1.025 55.857 54.840 -0.013 0.000 0.755 336 L CB -0.522 41.543 42.059 0.011 0.000 0.904 336 L HN 0.213 nan 8.230 nan 0.000 0.435 337 A N -0.938 121.879 122.820 -0.006 0.000 2.070 337 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 337 A C 1.871 179.453 177.584 -0.002 0.000 1.159 337 A CA 1.216 53.254 52.037 0.001 0.000 0.656 337 A CB -0.230 18.768 19.000 -0.004 0.000 0.800 337 A HN 0.522 nan 8.150 nan 0.000 0.453 338 Q N -1.673 118.121 119.800 -0.010 0.000 2.175 338 Q HA 0.346 4.686 4.340 -0.000 0.000 0.225 338 Q C 0.660 176.655 176.000 -0.008 0.000 0.837 338 Q CA 0.168 55.965 55.803 -0.010 0.000 1.032 338 Q CB 0.494 29.222 28.738 -0.017 0.000 1.137 338 Q HN 0.774 nan 8.270 nan 0.000 0.483 339 G N 0.271 109.071 108.800 -0.000 0.000 2.147 339 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 339 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 339 G C 0.220 175.121 174.900 0.002 0.000 1.005 339 G CA -0.087 45.016 45.100 0.006 0.000 0.713 339 G HN 0.479 nan 8.290 nan 0.000 0.515 340 G N -0.870 107.924 108.800 -0.010 0.000 2.367 340 G HA2 0.646 4.606 3.960 -0.000 0.000 0.314 340 G HA3 0.646 4.606 3.960 -0.000 0.000 0.314 340 G C 0.165 175.054 174.900 -0.018 0.000 1.130 340 G CA 0.646 45.733 45.100 -0.022 0.000 0.864 340 G HN 0.676 nan 8.290 nan 0.000 0.486 341 T N -0.667 113.879 114.554 -0.013 0.000 2.788 341 T HA 0.170 4.520 4.350 -0.000 0.000 0.287 341 T C 1.916 176.566 174.700 -0.083 0.000 1.007 341 T CA 0.149 62.248 62.100 -0.003 0.000 1.005 341 T CB 1.025 69.909 68.868 0.026 0.000 1.012 341 T HN 0.876 nan 8.240 nan 0.000 0.530 342 V N 0.656 120.479 119.914 -0.152 0.000 2.809 342 V HA 0.046 4.166 4.120 -0.000 0.000 0.256 342 V C 2.072 178.075 176.094 -0.153 0.000 1.080 342 V CA 1.853 63.977 62.300 -0.293 0.000 1.102 342 V CB -1.651 29.805 31.823 -0.611 0.000 0.705 342 V HN 1.003 nan 8.190 nan 0.000 0.475 343 T N -3.132 111.375 114.554 -0.078 0.000 3.219 343 T HA 0.130 4.480 4.350 -0.000 0.000 0.249 343 T C 0.357 175.043 174.700 -0.024 0.000 1.099 343 T CA 0.095 62.176 62.100 -0.032 0.000 0.988 343 T CB -0.575 68.287 68.868 -0.011 0.000 0.999 343 T HN 0.417 nan 8.240 nan 0.000 0.550 344 D N 2.200 122.574 120.400 -0.045 0.000 2.608 344 D HA 0.300 4.940 4.640 -0.000 0.000 0.224 344 D C 1.590 177.862 176.300 -0.047 0.000 1.123 344 D CA -0.081 53.891 54.000 -0.046 0.000 1.030 344 D CB 0.369 41.134 40.800 -0.058 0.000 1.093 344 D HN 0.423 nan 8.370 nan 0.000 0.497 345 G N 1.662 110.447 108.800 -0.025 0.000 2.545 345 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 345 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 345 G C 1.408 176.261 174.900 -0.078 0.000 1.218 345 G CA 0.580 45.668 45.100 -0.020 0.000 0.787 345 G HN 0.312 nan 8.290 nan 0.000 0.571 346 E N 0.716 120.861 120.200 -0.091 0.000 2.136 346 E HA -0.192 4.157 4.350 -0.000 0.000 0.202 346 E C 2.327 178.821 176.600 -0.175 0.000 1.019 346 E CA 1.787 58.102 56.400 -0.142 0.000 0.819 346 E CB -0.324 29.311 29.700 -0.108 0.000 0.739 346 E HN 0.686 nan 8.360 nan 0.000 0.458 347 N N -0.300 118.323 118.700 -0.129 0.000 2.109 347 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 347 N C 1.888 177.311 175.510 -0.144 0.000 1.034 347 N CA 0.937 53.910 53.050 -0.128 0.000 0.846 347 N CB -0.145 38.285 38.487 -0.094 0.000 1.010 347 N HN 0.033 nan 8.380 nan 0.000 0.425 348 I N 1.292 121.787 120.570 -0.125 0.000 2.185 348 I HA -0.318 3.852 4.170 -0.000 0.000 0.246 348 I C 2.140 178.178 176.117 -0.130 0.000 1.088 348 I CA 1.219 62.447 61.300 -0.120 0.000 1.347 348 I CB -0.635 37.322 38.000 -0.073 0.000 1.041 348 I HN 0.220 nan 8.210 nan 0.000 0.415 349 T N -0.026 114.413 114.554 -0.192 0.000 2.652 349 T HA -0.209 4.140 4.350 -0.000 0.000 0.267 349 T C 1.855 176.226 174.700 -0.547 0.000 1.039 349 T CA 1.179 63.055 62.100 -0.374 0.000 1.153 349 T CB -0.259 68.291 68.868 -0.531 0.000 0.863 349 T HN 0.307 nan 8.240 nan 0.000 0.428 350 Q N 0.663 120.172 119.800 -0.485 0.000 2.291 350 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 350 Q C 2.308 178.224 176.000 -0.140 0.000 0.976 350 Q CA 1.001 56.594 55.803 -0.350 0.000 0.875 350 Q CB -0.313 28.277 28.738 -0.248 0.000 0.927 350 Q HN 0.483 nan 8.270 nan 0.000 0.450 351 R N -0.506 119.917 120.500 -0.128 0.000 2.148 351 R HA 0.108 4.448 4.340 -0.000 0.000 0.223 351 R C 2.104 178.388 176.300 -0.026 0.000 1.088 351 R CA 0.689 56.749 56.100 -0.067 0.000 0.985 351 R CB 0.102 30.350 30.300 -0.086 0.000 0.880 351 R HN 0.247 nan 8.270 nan 0.000 0.451 352 M N -1.220 118.370 119.600 -0.018 0.000 2.435 352 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 352 M C -0.118 176.319 176.300 0.229 0.000 1.104 352 M CA 0.494 55.833 55.300 0.065 0.000 1.140 352 M CB 0.126 32.778 32.600 0.087 0.000 1.372 352 M HN -0.012 nan 8.290 nan 0.000 0.456 353 W N 1.431 122.698 121.300 -0.055 0.000 2.129 353 W HA 0.175 4.835 4.660 -0.000 0.000 0.349 353 W C 1.011 177.506 176.519 -0.040 0.000 1.279 353 W CA -1.057 56.258 57.345 -0.050 0.000 1.306 353 W CB -0.508 28.929 29.460 -0.039 0.000 1.140 353 W HN 0.260 nan 8.180 nan 0.000 0.613 354 N N 0.986 119.786 118.700 0.167 0.000 2.707 354 N HA -0.268 4.472 4.740 -0.000 0.000 0.253 354 N C -0.447 175.101 175.510 0.063 0.000 0.998 354 N CA 0.854 53.953 53.050 0.082 0.000 0.751 354 N CB -0.523 38.021 38.487 0.095 0.000 0.920 354 N HN 0.447 nan 8.380 nan 0.000 0.539 355 R N -0.418 120.108 120.500 0.043 0.000 2.771 355 R HA 0.574 4.914 4.340 -0.000 0.000 0.274 355 R C -0.627 175.671 176.300 -0.004 0.000 0.987 355 R CA -0.305 55.816 56.100 0.036 0.000 0.908 355 R CB 1.350 31.677 30.300 0.046 0.000 1.213 355 R HN 0.288 nan 8.270 nan 0.000 0.468 356 S N 1.320 117.025 115.700 0.008 0.000 2.664 356 S HA 0.760 5.230 4.470 -0.000 0.000 0.304 356 S C -0.811 173.822 174.600 0.056 0.000 1.099 356 S CA -0.593 57.555 58.200 -0.087 0.000 1.003 356 S CB 1.754 64.927 63.200 -0.044 0.000 1.092 356 S HN 0.464 nan 8.310 nan 0.000 0.525 357 F N -0.013 119.791 119.950 -0.242 0.000 2.678 357 F HA 0.419 4.946 4.527 -0.000 0.000 0.308 357 F C -1.647 174.075 175.800 -0.130 0.000 1.118 357 F CA -0.508 57.407 58.000 -0.142 0.000 0.959 357 F CB 1.760 40.679 39.000 -0.135 0.000 1.305 357 F HN 0.551 nan 8.300 nan 0.000 0.443 358 Q N 3.141 122.528 119.800 -0.689 0.000 2.400 358 Q HA 0.526 4.866 4.340 -0.000 0.000 0.255 358 Q C -0.199 175.542 176.000 -0.432 0.000 1.008 358 Q CA -0.342 55.221 55.803 -0.401 0.000 0.841 358 Q CB 1.485 30.050 28.738 -0.288 0.000 1.220 358 Q HN 0.916 nan 8.270 nan 0.000 0.474 359 G N -0.185 108.568 108.800 -0.078 0.000 2.932 359 G HA2 0.434 4.394 3.960 -0.000 0.000 0.283 359 G HA3 0.434 4.394 3.960 -0.000 0.000 0.283 359 G C 0.945 175.867 174.900 0.038 0.000 1.336 359 G CA -0.223 44.908 45.100 0.053 0.000 1.056 359 G HN 0.355 nan 8.290 nan 0.000 0.522 360 V N -1.530 118.428 119.914 0.072 0.000 2.380 360 V HA -0.162 3.958 4.120 -0.000 0.000 0.251 360 V C 2.591 178.717 176.094 0.053 0.000 1.063 360 V CA 2.808 65.141 62.300 0.055 0.000 1.055 360 V CB -1.646 30.103 31.823 -0.124 0.000 0.657 360 V HN 0.860 nan 8.190 nan 0.000 0.455 361 T N -2.636 111.897 114.554 -0.034 0.000 3.155 361 T HA 0.392 4.742 4.350 -0.000 0.000 0.264 361 T C 1.378 176.021 174.700 -0.095 0.000 1.160 361 T CA 1.169 63.179 62.100 -0.149 0.000 1.075 361 T CB -0.621 68.143 68.868 -0.173 0.000 0.921 361 T HN 1.794 nan 8.240 nan 0.000 0.533 362 G N 1.162 109.950 108.800 -0.019 0.000 2.545 362 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.240 362 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.240 362 G C -0.471 174.455 174.900 0.044 0.000 1.172 362 G CA -0.301 44.808 45.100 0.016 0.000 0.949 362 G HN 0.671 nan 8.290 nan 0.000 0.574 363 Y N 2.026 122.295 120.300 -0.052 0.000 2.436 363 Y HA 0.557 5.107 4.550 -0.000 0.000 0.343 363 Y C 0.459 176.338 175.900 -0.035 0.000 1.008 363 Y CA -0.115 57.961 58.100 -0.039 0.000 1.241 363 Y CB 0.367 38.801 38.460 -0.043 0.000 1.153 363 Y HN 0.860 nan 8.280 nan 0.000 0.521 364 L N 4.933 125.876 121.223 -0.466 0.000 2.362 364 L HA 0.711 5.050 4.340 -0.000 0.000 0.275 364 L C -1.524 174.984 176.870 -0.603 0.000 0.998 364 L CA -1.154 53.447 54.840 -0.398 0.000 0.820 364 L CB 2.007 43.963 42.059 -0.172 0.000 1.270 364 L HN 0.507 nan 8.230 nan 0.000 0.415 365 K N 4.325 124.452 120.400 -0.455 0.000 2.502 365 K HA 0.597 4.917 4.320 -0.000 0.000 0.254 365 K C -1.214 175.282 176.600 -0.173 0.000 0.947 365 K CA -0.474 55.624 56.287 -0.314 0.000 0.834 365 K CB 1.046 33.429 32.500 -0.196 0.000 1.112 365 K HN 0.696 nan 8.250 nan 0.000 0.427 366 I N 4.790 125.273 120.570 -0.145 0.000 2.416 366 I HA 0.075 4.245 4.170 -0.000 0.000 0.288 366 I C 0.595 176.634 176.117 -0.130 0.000 1.051 366 I CA -0.224 60.987 61.300 -0.148 0.000 1.375 366 I CB 0.422 38.359 38.000 -0.105 0.000 1.407 366 I HN 0.850 nan 8.210 nan 0.000 0.516 367 D N 6.805 127.097 120.400 -0.181 0.000 2.376 367 D HA 0.115 4.755 4.640 -0.000 0.000 0.268 367 D C 0.990 177.196 176.300 -0.157 0.000 1.252 367 D CA -0.300 53.615 54.000 -0.142 0.000 1.041 367 D CB 0.567 41.287 40.800 -0.134 0.000 1.109 367 D HN 0.334 nan 8.370 nan 0.000 0.552 368 R N -1.298 119.142 120.500 -0.099 0.000 2.189 368 R HA -0.061 4.279 4.340 -0.000 0.000 0.218 368 R C 1.365 177.586 176.300 -0.131 0.000 1.074 368 R CA 0.864 56.947 56.100 -0.029 0.000 0.991 368 R CB -0.362 29.945 30.300 0.011 0.000 0.883 368 R HN 0.498 nan 8.270 nan 0.000 0.457 369 N N -0.760 117.741 118.700 -0.331 0.000 2.424 369 N HA -0.034 4.706 4.740 -0.000 0.000 0.178 369 N C 0.620 175.381 175.510 -1.248 0.000 1.060 369 N CA 1.030 53.757 53.050 -0.538 0.000 0.901 369 N CB 0.671 38.967 38.487 -0.318 0.000 0.979 369 N HN 0.269 nan 8.380 nan 0.000 0.451 370 G N -0.506 107.442 108.800 -1.421 0.000 2.138 370 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.193 370 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.193 370 G C -1.151 173.292 174.900 -0.762 0.000 0.998 370 G CA -0.101 43.882 45.100 -1.863 0.000 0.668 370 G HN 0.353 nan 8.290 nan 0.000 0.516 371 D N 0.028 120.117 120.400 -0.518 0.000 2.502 371 D HA 0.359 4.999 4.640 -0.000 0.000 0.249 371 D C 0.407 176.559 176.300 -0.246 0.000 1.092 371 D CA -0.658 53.144 54.000 -0.330 0.000 0.839 371 D CB 1.562 42.195 40.800 -0.279 0.000 1.264 371 D HN 0.365 nan 8.370 nan 0.000 0.511 372 R N 2.116 122.485 120.500 -0.218 0.000 2.484 372 R HA -0.019 4.321 4.340 -0.000 0.000 0.293 372 R C -0.478 175.736 176.300 -0.144 0.000 1.023 372 R CA -0.163 55.827 56.100 -0.184 0.000 1.037 372 R CB 0.317 30.501 30.300 -0.193 0.000 0.951 372 R HN 0.268 nan 8.270 nan 0.000 0.418 373 D N 3.043 123.381 120.400 -0.103 0.000 2.472 373 D HA 0.019 4.659 4.640 -0.000 0.000 0.237 373 D C -0.459 175.811 176.300 -0.049 0.000 1.141 373 D CA 0.821 54.800 54.000 -0.034 0.000 0.875 373 D CB 1.106 41.910 40.800 0.006 0.000 1.192 373 D HN 0.477 nan 8.370 nan 0.000 0.450 374 T N 2.152 116.712 114.554 0.010 0.000 2.797 374 T HA 0.333 4.683 4.350 -0.000 0.000 0.279 374 T C -0.404 174.265 174.700 -0.052 0.000 0.991 374 T CA -0.866 61.161 62.100 -0.122 0.000 0.979 374 T CB 1.339 70.092 68.868 -0.192 0.000 0.943 374 T HN 0.093 nan 8.240 nan 0.000 0.444 375 D N 1.347 121.618 120.400 -0.215 0.000 2.175 375 D HA 0.617 5.257 4.640 -0.000 0.000 0.248 375 D C -0.862 175.230 176.300 -0.347 0.000 1.047 375 D CA -0.074 53.884 54.000 -0.070 0.000 0.883 375 D CB 0.832 41.603 40.800 -0.047 0.000 1.180 375 D HN 0.332 nan 8.370 nan 0.000 0.438 376 F N 0.236 120.213 119.950 0.045 0.000 2.556 376 F HA 0.409 4.936 4.527 -0.000 0.000 0.314 376 F C 0.262 175.966 175.800 -0.159 0.000 1.106 376 F CA -0.767 57.123 58.000 -0.184 0.000 0.911 376 F CB 1.936 40.474 39.000 -0.770 0.000 1.190 376 F HN 0.044 nan 8.300 nan 0.000 0.448 377 S N 2.752 118.512 115.700 0.099 0.000 2.509 377 S HA 0.611 5.080 4.470 -0.000 0.000 0.297 377 S C -1.229 173.469 174.600 0.164 0.000 1.118 377 S CA -0.536 57.706 58.200 0.070 0.000 1.074 377 S CB 1.581 64.752 63.200 -0.048 0.000 1.038 377 S HN 0.495 nan 8.310 nan 0.000 0.498 378 L N 3.938 125.283 121.223 0.203 0.000 2.277 378 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 378 L C -1.476 175.591 176.870 0.328 0.000 1.028 378 L CA -0.325 54.750 54.840 0.392 0.000 0.835 378 L CB 0.042 42.412 42.059 0.518 0.000 1.215 378 L HN 0.636 nan 8.230 nan 0.000 0.425 379 W N 3.824 125.283 121.300 0.265 0.000 2.215 379 W HA 0.554 5.214 4.660 -0.000 0.000 0.342 379 W C 0.116 176.914 176.519 0.464 0.000 1.237 379 W CA 0.012 57.550 57.345 0.321 0.000 1.283 379 W CB 0.546 30.203 29.460 0.329 0.000 1.131 379 W HN 0.543 nan 8.180 nan 0.000 0.606 380 D N 0.405 121.171 120.400 0.610 0.000 2.623 380 D HA 0.402 5.041 4.640 -0.000 0.000 0.241 380 D C -1.050 174.968 176.300 -0.470 0.000 1.241 380 D CA -0.835 53.262 54.000 0.162 0.000 0.788 380 D CB 1.317 42.153 40.800 0.060 0.000 1.413 380 D HN 0.312 nan 8.370 nan 0.000 0.429 381 M N 0.310 119.249 119.600 -1.101 0.000 2.314 381 M HA 0.498 4.978 4.480 -0.000 0.000 0.342 381 M C -0.193 175.872 176.300 -0.391 0.000 1.171 381 M CA -0.463 54.305 55.300 -0.887 0.000 1.098 381 M CB 1.115 33.125 32.600 -0.984 0.000 1.559 381 M HN 0.067 nan 8.290 nan 0.000 0.459 382 D N 3.976 124.238 120.400 -0.230 0.000 2.358 382 D HA 0.121 4.761 4.640 -0.000 0.000 0.258 382 D C -1.490 174.719 176.300 -0.152 0.000 1.223 382 D CA -1.160 52.768 54.000 -0.121 0.000 0.886 382 D CB 1.286 42.065 40.800 -0.034 0.000 1.120 382 D HN 0.470 nan 8.370 nan 0.000 0.482 383 P HA -0.182 nan 4.420 nan 0.000 0.218 383 P C 0.794 178.029 177.300 -0.108 0.000 1.147 383 P CA 1.224 64.195 63.100 -0.215 0.000 0.827 383 P CB 0.540 32.184 31.700 -0.095 0.000 0.778 384 E N -1.481 118.690 120.200 -0.049 0.000 2.251 384 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 384 E C 1.706 178.301 176.600 -0.009 0.000 0.964 384 E CA 1.465 57.854 56.400 -0.018 0.000 0.868 384 E CB -0.094 29.610 29.700 0.006 0.000 0.828 384 E HN 0.398 nan 8.360 nan 0.000 0.481 385 T N -3.546 111.004 114.554 -0.007 0.000 2.971 385 T HA 0.294 4.644 4.350 -0.000 0.000 0.252 385 T C 1.627 176.340 174.700 0.021 0.000 1.022 385 T CA 0.629 62.738 62.100 0.015 0.000 0.980 385 T CB 0.822 69.708 68.868 0.030 0.000 1.044 385 T HN 0.197 nan 8.240 nan 0.000 0.501 386 G N 1.910 110.696 108.800 -0.022 0.000 2.189 386 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.267 386 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.267 386 G C 0.348 175.268 174.900 0.033 0.000 0.975 386 G CA 0.042 45.129 45.100 -0.021 0.000 0.644 386 G HN 1.251 nan 8.290 nan 0.000 0.537 387 A N -0.010 122.842 122.820 0.053 0.000 2.366 387 A HA 0.686 5.005 4.320 -0.000 0.000 0.272 387 A C 0.123 177.770 177.584 0.104 0.000 1.135 387 A CA -0.381 51.726 52.037 0.116 0.000 0.804 387 A CB 0.203 19.262 19.000 0.097 0.000 1.064 387 A HN 0.535 nan 8.150 nan 0.000 0.499 388 F N 2.801 122.839 119.950 0.147 0.000 2.518 388 F HA 0.402 4.929 4.527 -0.000 0.000 0.359 388 F C 1.414 177.425 175.800 0.351 0.000 1.118 388 F CA 1.115 59.260 58.000 0.241 0.000 1.287 388 F CB 0.796 39.953 39.000 0.262 0.000 1.132 388 F HN 0.692 nan 8.300 nan 0.000 0.587 389 R N 1.956 122.742 120.500 0.476 0.000 2.594 389 R HA 0.417 4.757 4.340 -0.000 0.000 0.265 389 R C -2.028 174.215 176.300 -0.095 0.000 1.070 389 R CA -0.819 55.429 56.100 0.246 0.000 0.909 389 R CB 0.183 30.485 30.300 0.002 0.000 1.243 389 R HN 0.339 nan 8.270 nan 0.000 0.455 390 V N 2.908 122.427 119.914 -0.659 0.000 2.539 390 V HA -0.043 4.077 4.120 -0.000 0.000 0.300 390 V C 1.534 177.437 176.094 -0.319 0.000 1.019 390 V CA 0.677 62.556 62.300 -0.703 0.000 1.160 390 V CB 0.635 31.969 31.823 -0.815 0.000 0.901 390 V HN 0.686 nan 8.190 nan 0.000 0.481 391 V N 2.562 122.382 119.914 -0.155 0.000 3.502 391 V HA 0.521 4.641 4.120 -0.000 0.000 0.288 391 V C 0.151 176.282 176.094 0.062 0.000 1.461 391 V CA 0.160 62.429 62.300 -0.052 0.000 1.029 391 V CB 0.307 32.115 31.823 -0.026 0.000 0.843 391 V HN 0.554 nan 8.190 nan 0.000 0.438 392 L N 0.994 122.258 121.223 0.069 0.000 2.466 392 L HA 0.673 5.013 4.340 -0.000 0.000 0.258 392 L C -1.717 175.245 176.870 0.155 0.000 0.973 392 L CA -0.269 54.660 54.840 0.148 0.000 0.826 392 L CB 2.687 44.887 42.059 0.236 0.000 1.372 392 L HN 0.226 nan 8.230 nan 0.000 0.409 393 N N 1.084 119.893 118.700 0.182 0.000 2.229 393 N HA 0.461 5.201 4.740 -0.000 0.000 0.298 393 N C -1.886 173.806 175.510 0.304 0.000 1.114 393 N CA -0.329 52.837 53.050 0.194 0.000 0.776 393 N CB 2.225 40.767 38.487 0.091 0.000 1.501 393 N HN 0.407 nan 8.380 nan 0.000 0.474 394 Y N 1.498 121.921 120.300 0.205 0.000 2.326 394 Y HA 0.463 5.013 4.550 -0.000 0.000 0.331 394 Y C -0.660 175.343 175.900 0.172 0.000 0.962 394 Y CA -0.825 57.432 58.100 0.261 0.000 1.167 394 Y CB 0.805 39.573 38.460 0.513 0.000 1.148 394 Y HN 0.447 nan 8.280 nan 0.000 0.463 395 N N 3.313 121.795 118.700 -0.363 0.000 2.497 395 N HA 0.134 4.873 4.740 -0.000 0.000 0.268 395 N C 0.927 176.103 175.510 -0.557 0.000 1.171 395 N CA 0.937 53.791 53.050 -0.325 0.000 0.948 395 N CB 1.842 40.194 38.487 -0.225 0.000 1.069 395 N HN 1.094 nan 8.380 nan 0.000 0.460 396 G N 1.932 110.630 108.800 -0.171 0.000 2.394 396 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 396 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 396 G C 1.145 176.032 174.900 -0.023 0.000 1.165 396 G CA 0.957 46.053 45.100 -0.006 0.000 0.784 396 G HN 0.605 nan 8.290 nan 0.000 0.535 397 T N 0.857 115.409 114.554 -0.004 0.000 2.852 397 T HA -0.067 4.283 4.350 -0.000 0.000 0.256 397 T C 2.807 177.489 174.700 -0.031 0.000 1.038 397 T CA 1.648 63.767 62.100 0.032 0.000 1.141 397 T CB -0.247 68.712 68.868 0.153 0.000 0.869 397 T HN 0.460 nan 8.240 nan 0.000 0.439 398 S N 1.160 116.804 115.700 -0.094 0.000 2.489 398 S HA -0.075 4.394 4.470 -0.000 0.000 0.228 398 S C 0.993 175.512 174.600 -0.134 0.000 0.995 398 S CA 0.371 58.508 58.200 -0.105 0.000 0.934 398 S CB -0.509 62.618 63.200 -0.121 0.000 0.771 398 S HN 0.552 nan 8.310 nan 0.000 0.522 399 Q N 0.054 119.694 119.800 -0.266 0.000 2.461 399 Q HA -0.191 4.149 4.340 -0.000 0.000 0.273 399 Q C -0.854 175.039 176.000 -0.179 0.000 1.163 399 Q CA 1.111 56.730 55.803 -0.308 0.000 0.929 399 Q CB -2.135 26.621 28.738 0.031 0.000 1.334 399 Q HN 0.768 nan 8.270 nan 0.000 0.499 400 E N 0.262 120.322 120.200 -0.234 0.000 2.195 400 E HA 0.571 4.921 4.350 -0.000 0.000 0.271 400 E C -0.549 176.075 176.600 0.040 0.000 0.923 400 E CA -0.744 55.631 56.400 -0.040 0.000 0.790 400 E CB 1.395 31.074 29.700 -0.035 0.000 1.155 400 E HN 0.115 nan 8.360 nan 0.000 0.402 401 L N 3.485 124.795 121.223 0.144 0.000 2.257 401 L HA 0.377 4.717 4.340 -0.000 0.000 0.290 401 L C -0.623 176.324 176.870 0.127 0.000 1.044 401 L CA -0.299 54.664 54.840 0.205 0.000 0.810 401 L CB 0.559 42.752 42.059 0.223 0.000 1.193 401 L HN 0.380 nan 8.230 nan 0.000 0.425 402 M N 2.921 122.592 119.600 0.118 0.000 2.326 402 M HA 0.471 4.951 4.480 -0.000 0.000 0.306 402 M C 0.016 176.370 176.300 0.090 0.000 1.054 402 M CA -0.681 54.667 55.300 0.080 0.000 0.922 402 M CB 1.859 34.484 32.600 0.043 0.000 1.632 402 M HN 0.578 nan 8.290 nan 0.000 0.436 403 A N 3.354 126.223 122.820 0.082 0.000 2.475 403 A HA 0.530 4.849 4.320 -0.000 0.000 0.239 403 A C -0.389 177.242 177.584 0.078 0.000 1.087 403 A CA -0.240 51.851 52.037 0.090 0.000 0.779 403 A CB 0.294 19.344 19.000 0.083 0.000 1.036 403 A HN 0.634 nan 8.150 nan 0.000 0.506 404 V N 0.773 120.747 119.914 0.101 0.000 2.577 404 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 404 V C 0.231 176.429 176.094 0.175 0.000 1.042 404 V CA 0.258 62.616 62.300 0.097 0.000 0.872 404 V CB 1.211 33.068 31.823 0.055 0.000 0.998 404 V HN 1.452 nan 8.190 nan 0.000 0.423 405 S N 3.643 119.392 115.700 0.083 0.000 3.631 405 S HA -0.165 4.305 4.470 -0.000 0.000 0.366 405 S C 0.639 175.128 174.600 -0.184 0.000 0.993 405 S CA 0.915 59.121 58.200 0.010 0.000 1.167 405 S CB -1.186 62.073 63.200 0.099 0.000 0.909 405 S HN 1.154 nan 8.310 nan 0.000 0.478 406 E N -2.786 117.354 120.200 -0.100 0.000 2.586 406 E HA -0.251 4.099 4.350 -0.000 0.000 0.259 406 E C -0.104 176.389 176.600 -0.179 0.000 1.107 406 E CA 1.419 57.743 56.400 -0.126 0.000 0.754 406 E CB -2.219 27.402 29.700 -0.132 0.000 1.335 406 E HN 0.946 nan 8.360 nan 0.000 0.411 407 H N -0.164 118.919 119.070 0.020 0.000 2.483 407 H HA 0.585 5.141 4.556 -0.000 0.000 0.338 407 H C 0.344 175.692 175.328 0.034 0.000 1.152 407 H CA -0.268 55.794 56.048 0.025 0.000 1.264 407 H CB 1.342 31.115 29.762 0.019 0.000 1.510 407 H HN -0.088 nan 8.280 nan 0.000 0.530 408 K N 1.218 121.720 120.400 0.171 0.000 2.318 408 K HA 0.323 4.643 4.320 -0.000 0.000 0.249 408 K C -1.289 175.359 176.600 0.081 0.000 0.942 408 K CA -0.853 55.503 56.287 0.115 0.000 0.808 408 K CB 1.284 33.840 32.500 0.094 0.000 1.189 408 K HN 0.262 nan 8.250 nan 0.000 0.428 409 L N 3.670 124.916 121.223 0.039 0.000 2.559 409 L HA 0.052 4.391 4.340 -0.000 0.000 0.274 409 L C -0.464 176.237 176.870 -0.282 0.000 1.205 409 L CA 0.465 55.241 54.840 -0.108 0.000 0.907 409 L CB -0.349 41.636 42.059 -0.123 0.000 1.153 409 L HN 0.508 nan 8.230 nan 0.000 0.490 410 Y N 3.973 124.035 120.300 -0.397 0.000 2.526 410 Y HA 0.207 4.757 4.550 -0.000 0.000 0.330 410 Y C -0.956 174.563 175.900 -0.634 0.000 1.156 410 Y CA -0.432 57.456 58.100 -0.353 0.000 1.419 410 Y CB 0.210 38.532 38.460 -0.231 0.000 1.250 410 Y HN 0.511 nan 8.280 nan 0.000 0.540 411 W N 8.942 129.693 121.300 -0.915 0.000 2.884 411 W HA 0.293 4.953 4.660 -0.000 0.000 0.336 411 W C -1.885 174.126 176.519 -0.847 0.000 1.038 411 W CA -1.851 55.049 57.345 -0.743 0.000 1.247 411 W CB 1.756 31.052 29.460 -0.273 0.000 1.351 411 W HN 0.431 nan 8.180 nan 0.000 0.446 412 P HA -0.234 nan 4.420 nan 0.000 0.216 412 P C 1.429 178.681 177.300 -0.080 0.000 1.157 412 P CA 1.528 64.556 63.100 -0.120 0.000 0.880 412 P CB 0.345 32.096 31.700 0.085 0.000 0.791 413 L N -2.837 118.319 121.223 -0.111 0.000 2.599 413 L HA 0.120 4.460 4.340 -0.000 0.000 0.230 413 L C 1.652 178.310 176.870 -0.353 0.000 1.141 413 L CA 0.909 55.593 54.840 -0.260 0.000 0.877 413 L CB -0.643 41.186 42.059 -0.382 0.000 1.009 413 L HN 0.200 nan 8.230 nan 0.000 0.447 414 G N -0.924 107.779 108.800 -0.162 0.000 2.358 414 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.224 414 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.224 414 G C 0.103 175.032 174.900 0.048 0.000 1.073 414 G CA 0.250 45.307 45.100 -0.071 0.000 0.635 414 G HN 0.303 nan 8.290 nan 0.000 0.509 415 Y N 0.755 121.000 120.300 -0.091 0.000 2.549 415 Y HA 0.827 5.377 4.550 -0.000 0.000 0.339 415 Y C -2.617 172.724 175.900 -0.932 0.000 1.053 415 Y CA -4.046 53.845 58.100 -0.348 0.000 1.105 415 Y CB 0.477 38.779 38.460 -0.263 0.000 1.258 415 Y HN 0.097 nan 8.280 nan 0.000 0.478 416 P HA 0.110 nan 4.420 nan 0.000 0.268 416 P C -2.621 174.275 177.300 -0.672 0.000 1.204 416 P CA -0.834 61.140 63.100 -1.876 0.000 0.768 416 P CB 0.522 31.446 31.700 -1.295 0.000 0.842 417 P HA 0.225 nan 4.420 nan 0.000 0.275 417 P C -2.433 174.926 177.300 0.098 0.000 1.228 417 P CA -1.872 61.156 63.100 -0.119 0.000 0.786 417 P CB -0.614 31.008 31.700 -0.130 0.000 0.927 418 P HA 0.055 nan 4.420 nan 0.000 0.274 418 P C 0.218 177.568 177.300 0.084 0.000 1.231 418 P CA -0.002 63.220 63.100 0.203 0.000 0.790 418 P CB 0.446 32.150 31.700 0.007 0.000 0.951 419 D N -0.043 120.410 120.400 0.089 0.000 2.368 419 D HA 0.019 4.659 4.640 -0.000 0.000 0.250 419 D C 0.119 176.401 176.300 -0.030 0.000 1.142 419 D CA 0.222 54.110 54.000 -0.186 0.000 0.925 419 D CB -0.600 40.094 40.800 -0.177 0.000 0.896 419 D HN -0.005 nan 8.370 nan 0.000 0.525 420 V N 1.095 120.959 119.914 -0.082 0.000 2.709 420 V HA 0.362 4.482 4.120 -0.000 0.000 0.308 420 V C -2.235 173.683 176.094 -0.294 0.000 1.062 420 V CA -1.836 60.351 62.300 -0.187 0.000 0.901 420 V CB 2.769 34.471 31.823 -0.200 0.000 1.003 420 V HN -0.030 nan 8.190 nan 0.000 0.425 421 P HA 0.154 nan 4.420 nan 0.000 0.272 421 P C 0.573 177.702 177.300 -0.284 0.000 1.240 421 P CA -0.320 62.521 63.100 -0.431 0.000 0.791 421 P CB 0.938 32.277 31.700 -0.602 0.000 0.978 422 K N 0.274 120.541 120.400 -0.222 0.000 2.089 422 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 422 K C 1.682 178.204 176.600 -0.131 0.000 1.048 422 K CA 1.948 58.145 56.287 -0.149 0.000 0.926 422 K CB -0.520 31.910 32.500 -0.115 0.000 0.714 422 K HN 0.522 nan 8.250 nan 0.000 0.448 423 C N -1.835 117.380 119.300 -0.140 0.000 2.662 423 C HA 0.481 4.940 4.460 -0.000 0.000 0.307 423 C C 0.989 175.911 174.990 -0.114 0.000 1.796 423 C CA 0.544 59.499 59.018 -0.106 0.000 2.153 423 C CB 0.554 28.250 27.740 -0.074 0.000 1.725 423 C HN 0.536 nan 8.230 nan 0.000 0.733 424 G N -1.387 107.335 108.800 -0.130 0.000 2.608 424 G HA2 0.447 4.407 3.960 -0.000 0.000 0.291 424 G HA3 0.447 4.407 3.960 -0.000 0.000 0.291 424 G C -0.557 174.275 174.900 -0.115 0.000 1.425 424 G CA -0.276 44.765 45.100 -0.098 0.000 0.787 424 G HN 0.208 nan 8.290 nan 0.000 0.484 425 F N 0.505 120.442 119.950 -0.021 0.000 2.710 425 F HA 0.149 4.676 4.527 -0.000 0.000 0.298 425 F C 1.379 177.178 175.800 -0.001 0.000 1.137 425 F CA 0.446 58.441 58.000 -0.009 0.000 1.444 425 F CB 0.471 39.467 39.000 -0.007 0.000 1.111 425 F HN 0.449 nan 8.300 nan 0.000 0.580 426 D N 0.000 120.493 120.400 0.154 0.000 6.856 426 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 426 D CA 0.000 54.058 54.000 0.097 0.000 0.868 426 D CB 0.000 40.842 40.800 0.070 0.000 0.688 426 D HN 0.000 nan 8.370 nan 0.000 0.683