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 2df7_1_F DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGXXXXL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFM 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.032 176.117 -0.142 0.000 1.063 11 I CA 0.000 61.182 61.300 -0.197 0.000 1.566 11 I CB 0.000 37.870 38.000 -0.216 0.000 1.214 12 V N 10.341 130.169 119.914 -0.143 0.000 2.405 12 V HA 0.270 4.390 4.120 -0.000 0.000 0.264 12 V C -1.517 174.596 176.094 0.033 0.000 1.048 12 V CA -1.028 61.230 62.300 -0.069 0.000 0.966 12 V CB 0.940 32.705 31.823 -0.097 0.000 1.015 12 V HN 0.797 nan 8.190 nan 0.000 0.477 13 P HA -0.239 nan 4.420 nan 0.000 0.217 13 P C 1.628 179.004 177.300 0.125 0.000 1.158 13 P CA 1.446 64.594 63.100 0.080 0.000 0.887 13 P CB 0.036 31.785 31.700 0.081 0.000 0.792 14 F N 0.086 120.060 119.950 0.040 0.000 2.126 14 F HA -0.193 4.333 4.527 -0.000 0.000 0.299 14 F C 1.981 177.837 175.800 0.092 0.000 1.096 14 F CA 1.370 59.398 58.000 0.047 0.000 1.255 14 F CB -0.725 38.281 39.000 0.010 0.000 0.997 14 F HN -0.221 nan 8.300 nan 0.000 0.479 15 I N 0.309 120.891 120.570 0.020 0.000 2.361 15 I HA -0.250 3.919 4.170 -0.000 0.000 0.251 15 I C 2.527 178.670 176.117 0.044 0.000 1.133 15 I CA 1.316 62.638 61.300 0.037 0.000 1.413 15 I CB -1.344 36.856 38.000 0.334 0.000 1.073 15 I HN 0.214 nan 8.210 nan 0.000 0.424 16 R N 0.345 120.919 120.500 0.125 0.000 2.075 16 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 16 R C 2.589 178.908 176.300 0.033 0.000 1.126 16 R CA 1.731 57.947 56.100 0.194 0.000 0.963 16 R CB -0.100 30.290 30.300 0.150 0.000 0.858 16 R HN 0.187 nan 8.270 nan 0.000 0.435 17 S N 0.307 115.962 115.700 -0.075 0.000 2.355 17 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 17 S C 1.869 176.350 174.600 -0.198 0.000 1.031 17 S CA 1.108 59.239 58.200 -0.114 0.000 0.993 17 S CB -0.285 62.856 63.200 -0.099 0.000 0.859 17 S HN 0.348 nan 8.310 nan 0.000 0.453 18 L N 1.656 122.632 121.223 -0.413 0.000 1.989 18 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 18 L C 1.993 178.778 176.870 -0.141 0.000 1.071 18 L CA 1.936 56.562 54.840 -0.357 0.000 0.749 18 L CB -0.581 41.164 42.059 -0.524 0.000 0.890 18 L HN 0.403 nan 8.230 nan 0.000 0.431 19 L N -1.519 119.643 121.223 -0.102 0.000 2.418 19 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 19 L C 0.775 177.694 176.870 0.080 0.000 1.125 19 L CA 0.339 55.170 54.840 -0.015 0.000 0.835 19 L CB -0.111 41.888 42.059 -0.101 0.000 0.953 19 L HN 0.285 nan 8.230 nan 0.000 0.454 20 M N -0.746 118.884 119.600 0.051 0.000 3.053 20 M HA 0.231 4.711 4.480 -0.000 0.000 0.293 20 M C -1.953 174.376 176.300 0.048 0.000 1.470 20 M CA -1.243 54.118 55.300 0.102 0.000 0.582 20 M CB 1.380 34.039 32.600 0.099 0.000 1.435 20 M HN -0.252 nan 8.290 nan 0.000 0.451 21 P HA -0.209 nan 4.420 nan 0.000 0.218 21 P C 1.395 178.694 177.300 -0.002 0.000 1.150 21 P CA 1.768 64.854 63.100 -0.023 0.000 0.841 21 P CB -0.241 31.423 31.700 -0.059 0.000 0.784 22 T N -4.682 109.884 114.554 0.020 0.000 3.098 22 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 22 T C 1.446 176.162 174.700 0.027 0.000 1.145 22 T CA 1.511 63.625 62.100 0.023 0.000 1.092 22 T CB -1.492 67.395 68.868 0.032 0.000 0.908 22 T HN 0.244 nan 8.240 nan 0.000 0.526 23 T N -1.973 112.599 114.554 0.030 0.000 3.100 23 T HA 0.515 4.865 4.350 -0.000 0.000 0.253 23 T C 1.140 175.858 174.700 0.030 0.000 1.118 23 T CA 0.161 62.279 62.100 0.030 0.000 1.058 23 T CB -0.365 68.525 68.868 0.037 0.000 0.953 23 T HN 1.075 nan 8.240 nan 0.000 0.515 24 G N 1.583 110.400 108.800 0.028 0.000 2.371 24 G HA2 0.255 4.215 3.960 -0.000 0.000 0.663 24 G HA3 0.255 4.215 3.960 -0.000 0.000 0.663 24 G C -3.397 171.526 174.900 0.038 0.000 1.311 24 G CA -0.644 44.478 45.100 0.037 0.000 0.985 24 G HN 0.285 nan 8.290 nan 0.000 0.566 25 P HA 0.725 nan 4.420 nan 0.000 0.280 25 P C -0.383 176.988 177.300 0.118 0.000 1.272 25 P CA 0.309 63.459 63.100 0.083 0.000 0.819 25 P CB 2.008 33.768 31.700 0.100 0.000 1.122 26 A N 0.098 123.024 122.820 0.177 0.000 2.605 26 A HA 0.541 4.861 4.320 -0.000 0.000 0.294 26 A C -0.624 177.125 177.584 0.276 0.000 1.062 26 A CA -0.510 51.663 52.037 0.227 0.000 0.682 26 A CB 0.579 19.739 19.000 0.267 0.000 1.278 26 A HN 0.355 nan 8.150 nan 0.000 0.410 27 S N 0.631 116.468 115.700 0.228 0.000 2.565 27 S HA 0.413 4.882 4.470 -0.000 0.000 0.276 27 S C 0.301 174.847 174.600 -0.090 0.000 1.326 27 S CA -0.188 58.107 58.200 0.158 0.000 1.045 27 S CB 0.078 63.427 63.200 0.249 0.000 0.918 27 S HN 0.451 nan 8.310 nan 0.000 0.505 28 I N 5.514 125.915 120.570 -0.282 0.000 2.598 28 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 28 I C -1.362 174.408 176.117 -0.577 0.000 1.140 28 I CA -1.414 59.404 61.300 -0.804 0.000 1.420 28 I CB 0.550 38.226 38.000 -0.541 0.000 1.387 28 I HN 0.446 nan 8.210 nan 0.000 0.553 29 P HA 0.038 nan 4.420 nan 0.000 0.237 29 P C -0.951 176.202 177.300 -0.245 0.000 1.723 29 P CA -0.157 62.745 63.100 -0.331 0.000 0.882 29 P CB -0.408 31.127 31.700 -0.275 0.000 1.810 30 D N -0.747 119.518 120.400 -0.224 0.000 2.509 30 D HA 0.128 4.768 4.640 -0.000 0.000 0.275 30 D C 0.458 176.743 176.300 -0.024 0.000 1.189 30 D CA -0.315 53.618 54.000 -0.113 0.000 1.098 30 D CB -0.147 40.598 40.800 -0.091 0.000 1.177 30 D HN -0.193 nan 8.370 nan 0.000 0.599 31 D N -1.374 119.031 120.400 0.007 0.000 2.395 31 D HA 0.076 4.715 4.640 -0.000 0.000 0.213 31 D C -0.112 176.218 176.300 0.051 0.000 1.110 31 D CA 0.199 54.214 54.000 0.025 0.000 0.835 31 D CB 0.214 41.026 40.800 0.020 0.000 0.965 31 D HN 0.247 nan 8.370 nan 0.000 0.505 32 T N 2.030 116.626 114.554 0.069 0.000 4.104 32 T HA 0.184 4.534 4.350 -0.000 0.000 0.285 32 T C 0.967 175.773 174.700 0.177 0.000 1.346 32 T CA -0.159 62.014 62.100 0.123 0.000 1.158 32 T CB -0.192 68.761 68.868 0.141 0.000 1.290 32 T HN 0.035 nan 8.240 nan 0.000 0.975 33 L N 3.605 124.924 121.223 0.160 0.000 2.505 33 L HA 0.196 4.536 4.340 -0.000 0.000 0.279 33 L C 0.712 177.794 176.870 0.354 0.000 1.211 33 L CA 0.294 55.284 54.840 0.250 0.000 1.059 33 L CB -0.211 41.922 42.059 0.124 0.000 1.340 33 L HN 0.420 nan 8.230 nan 0.000 0.447 34 E N 2.890 123.283 120.200 0.321 0.000 2.227 34 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 34 E C -0.614 175.996 176.600 0.017 0.000 0.907 34 E CA -0.934 55.522 56.400 0.094 0.000 0.786 34 E CB 2.552 32.115 29.700 -0.228 0.000 1.191 34 E HN 0.292 nan 8.360 nan 0.000 0.411 35 K N 3.312 123.489 120.400 -0.372 0.000 2.383 35 K HA 0.094 4.414 4.320 -0.000 0.000 0.286 35 K C 0.143 176.632 176.600 -0.185 0.000 1.051 35 K CA 0.146 56.127 56.287 -0.510 0.000 0.974 35 K CB 0.250 32.411 32.500 -0.565 0.000 0.968 35 K HN 0.539 nan 8.250 nan 0.000 0.475 36 H N -0.276 118.725 119.070 -0.115 0.000 3.015 36 H HA 0.462 5.018 4.556 -0.000 0.000 0.282 36 H C -1.106 174.251 175.328 0.050 0.000 1.508 36 H CA -0.786 55.265 56.048 0.005 0.000 1.209 36 H CB 1.854 31.701 29.762 0.142 0.000 1.869 36 H HN 0.453 nan 8.280 nan 0.000 0.591 37 T N 0.390 115.080 114.554 0.227 0.000 2.906 37 T HA 0.561 4.911 4.350 -0.000 0.000 0.295 37 T C -1.010 173.853 174.700 0.272 0.000 1.061 37 T CA -0.775 61.422 62.100 0.163 0.000 1.000 37 T CB 1.121 70.086 68.868 0.161 0.000 1.103 37 T HN 0.434 nan 8.240 nan 0.000 0.486 38 L N 4.038 125.385 121.223 0.207 0.000 2.317 38 L HA 0.752 5.091 4.340 -0.000 0.000 0.281 38 L C 0.250 177.209 176.870 0.148 0.000 1.024 38 L CA -1.056 53.906 54.840 0.203 0.000 0.810 38 L CB 1.391 43.566 42.059 0.193 0.000 1.240 38 L HN 0.506 nan 8.230 nan 0.000 0.427 39 R N 1.398 121.990 120.500 0.153 0.000 2.740 39 R HA 0.564 4.903 4.340 -0.000 0.000 0.273 39 R C -1.457 174.958 176.300 0.192 0.000 0.998 39 R CA -0.848 55.343 56.100 0.150 0.000 0.900 39 R CB 2.379 32.736 30.300 0.094 0.000 1.223 39 R HN 0.490 nan 8.270 nan 0.000 0.466 40 S N 1.283 117.081 115.700 0.163 0.000 2.502 40 S HA 0.439 4.909 4.470 -0.000 0.000 0.304 40 S C -0.812 173.896 174.600 0.180 0.000 1.097 40 S CA -0.772 57.516 58.200 0.146 0.000 1.045 40 S CB 1.981 65.235 63.200 0.089 0.000 1.019 40 S HN 0.250 nan 8.310 nan 0.000 0.481 41 E N 2.471 122.807 120.200 0.227 0.000 2.210 41 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 41 E C -0.163 176.535 176.600 0.164 0.000 0.883 41 E CA -0.443 56.089 56.400 0.220 0.000 0.761 41 E CB 2.032 31.928 29.700 0.327 0.000 1.156 41 E HN 0.721 nan 8.360 nan 0.000 0.412 42 T N -0.770 113.855 114.554 0.119 0.000 2.881 42 T HA 0.604 4.954 4.350 -0.000 0.000 0.278 42 T C 0.258 175.022 174.700 0.107 0.000 0.982 42 T CA -0.643 61.511 62.100 0.090 0.000 0.989 42 T CB 1.194 70.094 68.868 0.054 0.000 1.058 42 T HN 0.118 nan 8.240 nan 0.000 0.529 43 S N 0.714 116.476 115.700 0.103 0.000 2.614 43 S HA 0.707 5.177 4.470 -0.000 0.000 0.288 43 S C -0.847 173.806 174.600 0.088 0.000 1.137 43 S CA -0.861 57.433 58.200 0.156 0.000 0.992 43 S CB 1.549 64.912 63.200 0.272 0.000 1.026 43 S HN 1.116 nan 8.310 nan 0.000 0.486 44 T N 1.301 115.797 114.554 -0.097 0.000 3.011 44 T HA 0.725 5.075 4.350 -0.000 0.000 0.303 44 T C -1.476 172.944 174.700 -0.467 0.000 0.997 44 T CA -0.529 61.483 62.100 -0.146 0.000 1.007 44 T CB 0.609 69.396 68.868 -0.135 0.000 1.017 44 T HN 0.410 nan 8.240 nan 0.000 0.443 45 Y N 1.060 121.367 120.300 0.012 0.000 2.534 45 Y HA 0.575 5.125 4.550 -0.000 0.000 0.345 45 Y C -0.259 175.621 175.900 -0.035 0.000 1.031 45 Y CA -1.218 56.875 58.100 -0.011 0.000 1.022 45 Y CB 2.408 40.856 38.460 -0.019 0.000 1.292 45 Y HN 0.581 nan 8.280 nan 0.000 0.459 46 N N 3.534 122.290 118.700 0.094 0.000 2.626 46 N HA 0.406 5.146 4.740 -0.000 0.000 0.249 46 N C -1.431 174.090 175.510 0.018 0.000 1.021 46 N CA -0.307 52.759 53.050 0.028 0.000 0.886 46 N CB 1.208 39.697 38.487 0.002 0.000 1.149 46 N HN 0.543 nan 8.380 nan 0.000 0.517 47 L N 1.059 122.255 121.223 -0.046 0.000 2.334 47 L HA 0.435 4.775 4.340 -0.000 0.000 0.277 47 L C 0.752 177.585 176.870 -0.063 0.000 1.075 47 L CA -0.376 54.402 54.840 -0.104 0.000 0.804 47 L CB 0.981 42.812 42.059 -0.381 0.000 1.174 47 L HN 0.173 nan 8.230 nan 0.000 0.438 48 T N 1.906 116.473 114.554 0.021 0.000 2.799 48 T HA 0.334 4.684 4.350 -0.000 0.000 0.286 48 T C 0.054 174.821 174.700 0.112 0.000 0.973 48 T CA -0.465 61.661 62.100 0.044 0.000 1.035 48 T CB 1.555 70.451 68.868 0.047 0.000 0.932 48 T HN 0.201 nan 8.240 nan 0.000 0.469 49 V N 3.682 123.644 119.914 0.080 0.000 2.555 49 V HA 0.427 4.547 4.120 -0.000 0.000 0.286 49 V C 1.265 177.439 176.094 0.133 0.000 1.044 49 V CA -0.301 62.092 62.300 0.154 0.000 1.026 49 V CB 0.875 32.764 31.823 0.111 0.000 0.981 49 V HN 1.032 nan 8.190 nan 0.000 0.480 50 G N 2.775 111.667 108.800 0.154 0.000 2.553 50 G HA2 0.178 4.138 3.960 -0.000 0.000 0.278 50 G HA3 0.178 4.138 3.960 -0.000 0.000 0.278 50 G C 0.698 175.636 174.900 0.063 0.000 1.349 50 G CA 0.236 45.388 45.100 0.087 0.000 1.037 50 G HN 0.811 nan 8.290 nan 0.000 0.508 51 D N -1.570 118.850 120.400 0.033 0.000 2.312 51 D HA -0.141 4.498 4.640 -0.000 0.000 0.211 51 D C 2.084 178.389 176.300 0.009 0.000 0.964 51 D CA 1.489 55.501 54.000 0.019 0.000 0.877 51 D CB -0.723 40.081 40.800 0.007 0.000 0.924 51 D HN 0.416 nan 8.370 nan 0.000 0.515 52 T N -4.081 110.474 114.554 0.002 0.000 3.081 52 T HA 0.308 4.658 4.350 -0.000 0.000 0.255 52 T C 1.826 176.524 174.700 -0.002 0.000 1.113 52 T CA 0.589 62.677 62.100 -0.020 0.000 1.082 52 T CB -0.244 68.589 68.868 -0.057 0.000 0.939 52 T HN 0.349 nan 8.240 nan 0.000 0.506 53 G N 0.302 109.132 108.800 0.049 0.000 2.148 53 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 53 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 53 G C 0.102 175.083 174.900 0.134 0.000 0.981 53 G CA 0.273 45.434 45.100 0.102 0.000 0.670 53 G HN 0.864 nan 8.290 nan 0.000 0.528 54 S N -0.819 114.898 115.700 0.028 0.000 2.542 54 S HA 0.888 5.358 4.470 -0.000 0.000 0.293 54 S C 0.293 174.713 174.600 -0.301 0.000 1.089 54 S CA 0.612 58.710 58.200 -0.170 0.000 0.961 54 S CB 1.828 64.926 63.200 -0.169 0.000 1.062 54 S HN 1.722 nan 8.310 nan 0.000 0.483 55 G N 1.204 109.506 108.800 -0.832 0.000 2.600 55 G HA2 0.620 4.579 3.960 -0.000 0.000 0.293 55 G HA3 0.620 4.579 3.960 -0.000 0.000 0.293 55 G C -2.423 172.291 174.900 -0.311 0.000 1.408 55 G CA -0.537 44.267 45.100 -0.493 0.000 0.782 55 G HN 0.749 nan 8.290 nan 0.000 0.482 56 L N -0.072 121.245 121.223 0.157 0.000 2.470 56 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 56 L C -1.222 175.791 176.870 0.238 0.000 0.964 56 L CA -0.604 54.332 54.840 0.161 0.000 0.839 56 L CB 1.788 43.857 42.059 0.016 0.000 1.276 56 L HN 0.504 nan 8.230 nan 0.000 0.403 57 I N 5.338 125.976 120.570 0.113 0.000 2.378 57 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 57 I C -0.720 175.197 176.117 -0.332 0.000 0.992 57 I CA -0.924 60.302 61.300 -0.124 0.000 1.154 57 I CB 1.940 39.755 38.000 -0.308 0.000 1.315 57 I HN 0.242 nan 8.210 nan 0.000 0.448 58 V N 7.333 126.997 119.914 -0.418 0.000 2.350 58 V HA 0.365 4.485 4.120 -0.000 0.000 0.276 58 V C -0.301 175.326 176.094 -0.780 0.000 1.028 58 V CA -0.323 61.677 62.300 -0.501 0.000 0.860 58 V CB 0.915 32.465 31.823 -0.454 0.000 0.990 58 V HN 0.400 nan 8.190 nan 0.000 0.453 59 F N 4.176 123.849 119.950 -0.462 0.000 2.425 59 F HA 0.572 5.099 4.527 -0.000 0.000 0.331 59 F C 0.049 175.503 175.800 -0.576 0.000 1.085 59 F CA -0.575 57.149 58.000 -0.460 0.000 1.028 59 F CB 1.692 40.585 39.000 -0.179 0.000 1.177 59 F HN 0.367 nan 8.300 nan 0.000 0.487 60 F N 3.668 123.789 119.950 0.286 0.000 2.334 60 F HA 0.262 4.789 4.527 -0.000 0.000 0.343 60 F C -1.533 174.408 175.800 0.235 0.000 1.136 60 F CA -1.789 56.349 58.000 0.231 0.000 1.237 60 F CB 0.184 39.324 39.000 0.233 0.000 1.525 60 F HN 0.284 nan 8.300 nan 0.000 0.528 61 P HA -0.190 nan 4.420 nan 0.000 0.217 61 P C 1.375 178.766 177.300 0.152 0.000 1.148 61 P CA 1.565 64.742 63.100 0.127 0.000 0.834 61 P CB 0.283 32.011 31.700 0.047 0.000 0.783 62 G N -1.884 107.035 108.800 0.198 0.000 3.337 62 G HA2 0.061 4.021 3.960 -0.000 0.000 0.246 62 G HA3 0.061 4.021 3.960 -0.000 0.000 0.246 62 G C -0.144 174.891 174.900 0.224 0.000 1.131 62 G CA -0.459 44.737 45.100 0.160 0.000 0.773 62 G HN 0.154 nan 8.290 nan 0.000 0.544 63 F N 3.192 123.271 119.950 0.214 0.000 2.571 63 F HA 0.243 4.770 4.527 -0.000 0.000 0.384 63 F C -1.459 174.487 175.800 0.242 0.000 1.058 63 F CA -2.306 55.825 58.000 0.218 0.000 1.200 63 F CB 1.026 40.167 39.000 0.235 0.000 1.077 63 F HN -0.027 nan 8.300 nan 0.000 0.558 64 P HA 0.310 nan 4.420 nan 0.000 0.231 64 P C -0.120 177.064 177.300 -0.193 0.000 1.811 64 P CA 0.340 63.331 63.100 -0.183 0.000 1.051 64 P CB 0.181 31.712 31.700 -0.281 0.000 1.951 65 G N 0.324 109.316 108.800 0.320 0.000 2.367 65 G HA2 0.022 3.982 3.960 -0.000 0.000 0.272 65 G HA3 0.022 3.982 3.960 -0.000 0.000 0.272 65 G C 0.282 175.483 174.900 0.501 0.000 1.271 65 G CA -0.353 44.922 45.100 0.292 0.000 0.893 65 G HN -0.060 nan 8.290 nan 0.000 0.485 66 S N -0.299 115.592 115.700 0.318 0.000 2.562 66 S HA 0.215 4.684 4.470 -0.000 0.000 0.221 66 S C 1.048 175.741 174.600 0.155 0.000 0.975 66 S CA 0.181 58.517 58.200 0.227 0.000 0.918 66 S CB -0.293 62.981 63.200 0.123 0.000 0.772 66 S HN 0.348 nan 8.310 nan 0.000 0.531 67 I N 1.767 122.293 120.570 -0.072 0.000 2.322 67 I HA 0.123 4.292 4.170 -0.000 0.000 0.292 67 I C 0.820 176.913 176.117 -0.041 0.000 1.060 67 I CA -0.180 60.915 61.300 -0.341 0.000 1.309 67 I CB 1.181 38.531 38.000 -1.083 0.000 1.415 67 I HN -0.032 nan 8.210 nan 0.000 0.492 68 V N 5.573 125.585 119.914 0.164 0.000 2.949 68 V HA 0.370 4.490 4.120 -0.000 0.000 0.245 68 V C 0.994 177.303 176.094 0.357 0.000 1.086 68 V CA 1.014 63.500 62.300 0.310 0.000 1.097 68 V CB 0.341 32.346 31.823 0.302 0.000 0.762 68 V HN 0.970 nan 8.190 nan 0.000 0.470 69 G N -1.116 107.794 108.800 0.183 0.000 2.341 69 G HA2 0.661 4.620 3.960 -0.000 0.000 0.299 69 G HA3 0.661 4.620 3.960 -0.000 0.000 0.299 69 G C -1.885 172.952 174.900 -0.105 0.000 1.274 69 G CA 0.122 45.155 45.100 -0.112 0.000 0.853 69 G HN 0.607 nan 8.290 nan 0.000 0.493 70 A N -0.527 122.142 122.820 -0.253 0.000 2.520 70 A HA 0.786 5.106 4.320 -0.000 0.000 0.298 70 A C -1.216 176.219 177.584 -0.248 0.000 1.051 70 A CA -0.455 51.488 52.037 -0.156 0.000 0.690 70 A CB 1.462 20.464 19.000 0.004 0.000 1.281 70 A HN 1.171 nan 8.150 nan 0.000 0.402 71 H N 1.342 120.160 119.070 -0.419 0.000 2.459 71 H HA 0.655 5.211 4.556 -0.000 0.000 0.332 71 H C -1.728 173.349 175.328 -0.419 0.000 1.094 71 H CA -0.296 55.557 56.048 -0.325 0.000 1.224 71 H CB 0.875 30.485 29.762 -0.253 0.000 1.449 71 H HN 0.620 nan 8.280 nan 0.000 0.484 72 Y N 1.843 121.976 120.300 -0.279 0.000 2.462 72 Y HA 0.187 4.737 4.550 -0.000 0.000 0.346 72 Y C 0.330 176.101 175.900 -0.213 0.000 0.976 72 Y CA -0.820 57.176 58.100 -0.174 0.000 1.044 72 Y CB 2.238 40.766 38.460 0.113 0.000 1.230 72 Y HN 0.595 nan 8.280 nan 0.000 0.455 73 T N 0.387 114.951 114.554 0.016 0.000 2.902 73 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 73 T C -0.965 173.800 174.700 0.107 0.000 1.009 73 T CA -0.791 61.337 62.100 0.047 0.000 1.051 73 T CB 1.404 70.276 68.868 0.007 0.000 0.999 73 T HN 0.441 nan 8.240 nan 0.000 0.474 74 L N 3.055 124.251 121.223 -0.046 0.000 2.276 74 L HA 0.364 4.704 4.340 -0.000 0.000 0.286 74 L C 0.159 176.921 176.870 -0.180 0.000 1.061 74 L CA -0.076 54.581 54.840 -0.304 0.000 0.807 74 L CB 0.813 42.617 42.059 -0.425 0.000 1.177 74 L HN 0.690 nan 8.230 nan 0.000 0.429 75 Q N 2.886 122.579 119.800 -0.179 0.000 2.256 75 Q HA 0.267 4.607 4.340 -0.000 0.000 0.232 75 Q C 1.129 177.061 176.000 -0.114 0.000 0.965 75 Q CA -0.206 55.533 55.803 -0.106 0.000 0.908 75 Q CB 0.952 29.645 28.738 -0.075 0.000 1.209 75 Q HN 0.786 nan 8.270 nan 0.000 0.489 76 S N 1.747 117.401 115.700 -0.077 0.000 2.387 76 S HA -0.197 4.272 4.470 -0.000 0.000 0.230 76 S C 1.283 175.837 174.600 -0.077 0.000 1.035 76 S CA 1.838 59.996 58.200 -0.069 0.000 1.014 76 S CB -0.309 62.862 63.200 -0.047 0.000 0.836 76 S HN 0.725 nan 8.310 nan 0.000 0.466 77 N N 1.220 119.874 118.700 -0.077 0.000 2.521 77 N HA 0.136 4.876 4.740 -0.000 0.000 0.188 77 N C 1.067 176.518 175.510 -0.098 0.000 1.146 77 N CA 0.921 53.926 53.050 -0.075 0.000 0.893 77 N CB -0.565 37.884 38.487 -0.062 0.000 0.975 77 N HN 0.478 nan 8.380 nan 0.000 0.451 78 G N -0.926 107.793 108.800 -0.135 0.000 2.195 78 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 78 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 78 G C -0.179 174.582 174.900 -0.233 0.000 0.984 78 G CA 0.015 45.010 45.100 -0.176 0.000 0.633 78 G HN 0.491 nan 8.290 nan 0.000 0.525 79 N N -0.300 118.284 118.700 -0.195 0.000 2.495 79 N HA 0.599 5.339 4.740 -0.000 0.000 0.280 79 N C -0.372 175.008 175.510 -0.218 0.000 1.168 79 N CA -0.242 52.700 53.050 -0.180 0.000 0.978 79 N CB 0.588 39.016 38.487 -0.099 0.000 1.191 79 N HN 0.211 nan 8.380 nan 0.000 0.497 80 Y N 0.058 120.269 120.300 -0.149 0.000 2.354 80 Y HA 0.294 4.844 4.550 -0.000 0.000 0.322 80 Y C 0.593 176.506 175.900 0.022 0.000 1.253 80 Y CA -0.318 57.738 58.100 -0.074 0.000 1.272 80 Y CB 1.165 39.523 38.460 -0.170 0.000 1.255 80 Y HN 0.321 nan 8.280 nan 0.000 0.500 81 K N 2.442 123.036 120.400 0.325 0.000 2.507 81 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 81 K C -1.563 175.261 176.600 0.374 0.000 0.943 81 K CA -0.609 55.842 56.287 0.274 0.000 0.808 81 K CB 0.525 33.102 32.500 0.128 0.000 1.142 81 K HN 0.418 nan 8.250 nan 0.000 0.426 82 F N 3.898 123.999 119.950 0.253 0.000 2.578 82 F HA 0.125 4.652 4.527 -0.000 0.000 0.376 82 F C 0.746 176.485 175.800 -0.102 0.000 1.085 82 F CA 0.405 58.416 58.000 0.019 0.000 1.260 82 F CB 0.786 39.821 39.000 0.058 0.000 1.095 82 F HN 0.913 nan 8.300 nan 0.000 0.573 83 D N 2.677 122.551 120.400 -0.877 0.000 2.805 83 D HA 0.103 4.743 4.640 -0.000 0.000 0.271 83 D C -0.443 175.173 176.300 -1.140 0.000 1.166 83 D CA 1.041 54.602 54.000 -0.732 0.000 1.004 83 D CB 0.193 40.756 40.800 -0.395 0.000 1.136 83 D HN 0.695 nan 8.370 nan 0.000 0.444 84 Q N -1.142 118.000 119.800 -1.096 0.000 2.687 84 Q HA 0.307 4.647 4.340 -0.000 0.000 0.295 84 Q C -1.124 174.695 176.000 -0.302 0.000 0.920 84 Q CA -1.014 54.342 55.803 -0.745 0.000 0.766 84 Q CB 1.066 29.612 28.738 -0.319 0.000 1.467 84 Q HN -0.014 nan 8.270 nan 0.000 0.415 85 M N 1.349 120.935 119.600 -0.024 0.000 2.247 85 M HA 0.458 4.938 4.480 -0.000 0.000 0.326 85 M C -0.488 175.682 176.300 -0.217 0.000 1.134 85 M CA -0.284 55.020 55.300 0.006 0.000 1.136 85 M CB 0.275 32.927 32.600 0.086 0.000 1.454 85 M HN 0.614 nan 8.290 nan 0.000 0.467 86 L N 3.399 124.466 121.223 -0.259 0.000 2.305 86 L HA 0.574 4.914 4.340 -0.000 0.000 0.284 86 L C -0.486 176.348 176.870 -0.059 0.000 1.013 86 L CA -0.347 54.174 54.840 -0.532 0.000 0.819 86 L CB 1.049 42.822 42.059 -0.477 0.000 1.227 86 L HN 0.579 nan 8.230 nan 0.000 0.417 87 L N 1.125 122.460 121.223 0.186 0.000 2.216 87 L HA 0.664 5.004 4.340 -0.000 0.000 0.260 87 L C 0.556 177.624 176.870 0.330 0.000 1.036 87 L CA -0.826 54.161 54.840 0.245 0.000 0.914 87 L CB 1.983 44.162 42.059 0.201 0.000 1.501 87 L HN 0.546 nan 8.230 nan 0.000 0.485 88 T N -2.688 112.014 114.554 0.247 0.000 2.847 88 T HA 0.434 4.784 4.350 -0.000 0.000 0.279 88 T C 1.003 175.801 174.700 0.162 0.000 0.984 88 T CA -0.082 62.154 62.100 0.227 0.000 0.988 88 T CB 1.529 70.539 68.868 0.237 0.000 1.040 88 T HN 0.624 nan 8.240 nan 0.000 0.528 89 A N 0.902 123.794 122.820 0.119 0.000 1.892 89 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 89 A C 1.293 178.920 177.584 0.071 0.000 1.188 89 A CA 1.694 53.770 52.037 0.065 0.000 0.631 89 A CB -0.938 18.094 19.000 0.053 0.000 0.822 89 A HN 0.992 nan 8.150 nan 0.000 0.447 90 Q N -1.457 118.397 119.800 0.091 0.000 2.359 90 Q HA 0.516 4.856 4.340 -0.000 0.000 0.275 90 Q C -0.954 175.098 176.000 0.086 0.000 1.082 90 Q CA -0.926 54.925 55.803 0.081 0.000 0.849 90 Q CB 0.749 29.537 28.738 0.083 0.000 1.377 90 Q HN 0.186 nan 8.270 nan 0.000 0.452 91 N N 1.513 120.255 118.700 0.072 0.000 2.482 91 N HA 0.130 4.870 4.740 -0.000 0.000 0.242 91 N C 0.450 176.000 175.510 0.068 0.000 1.100 91 N CA -0.072 53.017 53.050 0.065 0.000 0.946 91 N CB 0.281 38.799 38.487 0.051 0.000 1.227 91 N HN 0.795 nan 8.380 nan 0.000 0.508 92 L N 4.163 125.422 121.223 0.060 0.000 2.051 92 L HA -0.154 4.185 4.340 -0.000 0.000 0.214 92 L C -0.665 176.275 176.870 0.117 0.000 1.076 92 L CA 1.402 56.294 54.840 0.088 0.000 0.758 92 L CB -1.239 40.761 42.059 -0.097 0.000 0.890 92 L HN 0.515 nan 8.230 nan 0.000 0.433 93 P HA -0.152 nan 4.420 nan 0.000 0.223 93 P C 1.117 178.420 177.300 0.005 0.000 1.144 93 P CA 1.432 64.545 63.100 0.022 0.000 0.783 93 P CB 0.014 31.719 31.700 0.009 0.000 0.771 94 A N -1.493 121.332 122.820 0.009 0.000 2.123 94 A HA 0.032 4.352 4.320 -0.000 0.000 0.214 94 A C 2.004 179.545 177.584 -0.071 0.000 1.152 94 A CA 1.372 53.397 52.037 -0.021 0.000 0.728 94 A CB -0.503 18.491 19.000 -0.009 0.000 0.814 94 A HN 0.110 nan 8.150 nan 0.000 0.464 95 S N -2.385 113.252 115.700 -0.104 0.000 2.589 95 S HA 0.353 4.823 4.470 -0.000 0.000 0.235 95 S C -0.432 173.826 174.600 -0.569 0.000 1.051 95 S CA -0.203 57.787 58.200 -0.349 0.000 0.978 95 S CB 0.107 63.017 63.200 -0.483 0.000 0.929 95 S HN 0.511 nan 8.310 nan 0.000 0.523 96 Y N 0.787 121.069 120.300 -0.029 0.000 2.576 96 Y HA 0.507 5.057 4.550 -0.000 0.000 0.346 96 Y C 0.587 176.451 175.900 -0.059 0.000 1.018 96 Y CA -1.105 56.982 58.100 -0.022 0.000 1.050 96 Y CB 1.078 39.526 38.460 -0.019 0.000 1.280 96 Y HN -0.160 nan 8.280 nan 0.000 0.474 97 N N -0.229 118.538 118.700 0.111 0.000 2.332 97 N HA 0.113 4.853 4.740 -0.000 0.000 0.190 97 N C -1.278 174.010 175.510 -0.369 0.000 1.117 97 N CA 0.325 53.299 53.050 -0.126 0.000 0.883 97 N CB 0.562 38.978 38.487 -0.119 0.000 1.089 97 N HN 0.523 nan 8.380 nan 0.000 0.480 98 Y N -1.042 119.327 120.300 0.116 0.000 2.553 98 Y HA 0.560 5.110 4.550 -0.000 0.000 0.347 98 Y C -0.273 175.735 175.900 0.180 0.000 1.019 98 Y CA -1.186 56.999 58.100 0.141 0.000 1.032 98 Y CB 2.181 40.742 38.460 0.168 0.000 1.284 98 Y HN -0.126 nan 8.280 nan 0.000 0.466 99 C N 2.342 121.832 119.300 0.316 0.000 3.284 99 C HA 0.787 5.247 4.460 -0.000 0.000 0.338 99 C C -1.934 173.009 174.990 -0.079 0.000 1.237 99 C CA -0.641 58.438 59.018 0.101 0.000 1.276 99 C CB 1.800 29.498 27.740 -0.070 0.000 1.601 99 C HN 0.984 nan 8.230 nan 0.000 0.494 100 R N 2.464 122.894 120.500 -0.116 0.000 2.604 100 R HA 0.569 4.909 4.340 -0.000 0.000 0.281 100 R C -1.704 174.654 176.300 0.098 0.000 1.020 100 R CA -0.772 55.242 56.100 -0.144 0.000 0.899 100 R CB 2.005 32.010 30.300 -0.492 0.000 1.205 100 R HN 0.722 nan 8.270 nan 0.000 0.450 101 L N 3.572 124.869 121.223 0.122 0.000 2.319 101 L HA 0.178 4.518 4.340 -0.000 0.000 0.280 101 L C 0.429 177.318 176.870 0.032 0.000 1.099 101 L CA 0.401 55.268 54.840 0.044 0.000 0.828 101 L CB 1.506 43.591 42.059 0.044 0.000 1.150 101 L HN 0.543 nan 8.230 nan 0.000 0.442 102 V N 2.727 122.626 119.914 -0.025 0.000 2.436 102 V HA 0.243 4.363 4.120 -0.000 0.000 0.240 102 V C 0.639 176.804 176.094 0.117 0.000 1.040 102 V CA 1.203 63.578 62.300 0.126 0.000 1.052 102 V CB 0.060 31.959 31.823 0.127 0.000 0.707 102 V HN 0.945 nan 8.190 nan 0.000 0.469 103 S N -0.446 115.224 115.700 -0.051 0.000 2.595 103 S HA 0.757 5.227 4.470 -0.000 0.000 0.270 103 S C -0.882 173.631 174.600 -0.145 0.000 1.145 103 S CA -0.900 57.255 58.200 -0.075 0.000 0.825 103 S CB 2.860 66.004 63.200 -0.093 0.000 1.107 103 S HN 0.495 nan 8.310 nan 0.000 0.461 104 R N 0.086 120.516 120.500 -0.117 0.000 2.664 104 R HA 0.672 5.012 4.340 -0.000 0.000 0.260 104 R C -1.962 174.257 176.300 -0.136 0.000 1.062 104 R CA -0.029 55.993 56.100 -0.131 0.000 0.902 104 R CB 1.502 31.727 30.300 -0.125 0.000 1.258 104 R HN 1.434 nan 8.270 nan 0.000 0.465 105 S N 3.235 118.845 115.700 -0.150 0.000 2.537 105 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 105 S C -1.442 173.032 174.600 -0.209 0.000 1.142 105 S CA -0.862 57.213 58.200 -0.209 0.000 0.870 105 S CB 1.723 64.785 63.200 -0.229 0.000 1.112 105 S HN 0.449 nan 8.310 nan 0.000 0.466 106 L N 1.706 122.761 121.223 -0.281 0.000 2.434 106 L HA 0.783 5.123 4.340 -0.000 0.000 0.260 106 L C -0.303 176.443 176.870 -0.206 0.000 0.983 106 L CA -0.608 54.082 54.840 -0.251 0.000 0.820 106 L CB 2.827 44.606 42.059 -0.466 0.000 1.361 106 L HN 1.006 nan 8.230 nan 0.000 0.410 107 T N -0.899 113.598 114.554 -0.094 0.000 2.885 107 T HA 0.835 5.184 4.350 -0.000 0.000 0.285 107 T C -0.721 173.994 174.700 0.024 0.000 1.019 107 T CA -0.827 61.247 62.100 -0.044 0.000 1.010 107 T CB 1.943 70.799 68.868 -0.020 0.000 1.022 107 T HN 0.225 nan 8.240 nan 0.000 0.466 108 V N 3.518 123.463 119.914 0.051 0.000 2.483 108 V HA 0.795 4.915 4.120 -0.000 0.000 0.297 108 V C -0.242 175.878 176.094 0.044 0.000 1.027 108 V CA -0.914 61.431 62.300 0.076 0.000 0.855 108 V CB 1.239 33.146 31.823 0.140 0.000 0.995 108 V HN 1.168 nan 8.190 nan 0.000 0.424 109 R N 2.249 122.757 120.500 0.013 0.000 2.692 109 R HA 0.685 5.024 4.340 -0.000 0.000 0.269 109 R C -0.891 175.391 176.300 -0.029 0.000 1.030 109 R CA -0.577 55.525 56.100 0.003 0.000 0.882 109 R CB 1.609 31.919 30.300 0.017 0.000 1.250 109 R HN 0.437 nan 8.270 nan 0.000 0.465 110 S N -0.104 115.577 115.700 -0.032 0.000 2.565 110 S HA 0.232 4.702 4.470 -0.000 0.000 0.276 110 S C 0.443 175.027 174.600 -0.026 0.000 1.326 110 S CA 0.031 58.202 58.200 -0.048 0.000 1.045 110 S CB 0.691 63.867 63.200 -0.040 0.000 0.918 110 S HN 0.704 nan 8.310 nan 0.000 0.505 111 S N 2.326 118.008 115.700 -0.029 0.000 2.733 111 S HA 0.307 4.776 4.470 -0.000 0.000 0.247 111 S C 0.347 174.938 174.600 -0.014 0.000 1.043 111 S CA -0.426 57.764 58.200 -0.016 0.000 1.066 111 S CB 0.437 63.628 63.200 -0.015 0.000 1.045 111 S HN 0.564 nan 8.310 nan 0.000 0.586 112 T N 1.309 115.852 114.554 -0.018 0.000 2.883 112 T HA 0.708 5.058 4.350 -0.000 0.000 0.301 112 T C -2.122 172.573 174.700 -0.009 0.000 1.158 112 T CA -0.602 61.490 62.100 -0.012 0.000 1.007 112 T CB 1.519 70.378 68.868 -0.014 0.000 1.186 112 T HN 0.279 nan 8.240 nan 0.000 0.499 113 L N 4.187 125.407 121.223 -0.004 0.000 2.406 113 L HA 0.560 4.899 4.340 -0.000 0.000 0.272 113 L C -2.022 174.849 176.870 0.000 0.000 0.980 113 L CA -1.503 53.336 54.840 -0.001 0.000 0.831 113 L CB 2.372 44.431 42.059 0.001 0.000 1.253 113 L HN 0.526 nan 8.230 nan 0.000 0.406 114 P HA 0.753 nan 4.420 nan 0.000 0.285 114 P C -0.175 177.128 177.300 0.004 0.000 1.285 114 P CA -0.162 62.940 63.100 0.003 0.000 0.854 114 P CB 2.002 33.705 31.700 0.005 0.000 1.180 121 N N 1.297 120.009 118.700 0.019 0.000 3.392 121 N HA 0.570 5.310 4.740 -0.000 0.000 0.223 121 N C -0.573 174.956 175.510 0.032 0.000 1.137 121 N CA -0.110 52.952 53.050 0.021 0.000 0.991 121 N CB 1.751 40.248 38.487 0.017 0.000 1.602 121 N HN 1.049 nan 8.380 nan 0.000 0.702 122 G N 0.620 109.441 108.800 0.034 0.000 2.570 122 G HA2 0.307 4.267 3.960 -0.000 0.000 0.686 122 G HA3 0.307 4.267 3.960 -0.000 0.000 0.686 122 G C -0.692 174.255 174.900 0.079 0.000 1.257 122 G CA -0.422 44.709 45.100 0.052 0.000 0.846 122 G HN 1.430 nan 8.290 nan 0.000 0.627 123 T N -2.058 112.564 114.554 0.113 0.000 2.841 123 T HA 0.818 5.168 4.350 -0.000 0.000 0.296 123 T C -0.387 174.515 174.700 0.336 0.000 1.166 123 T CA -0.793 61.420 62.100 0.189 0.000 1.007 123 T CB 2.199 71.186 68.868 0.198 0.000 1.253 123 T HN 1.119 nan 8.240 nan 0.000 0.511 124 I N 1.376 122.151 120.570 0.342 0.000 2.608 124 I HA 0.519 4.689 4.170 -0.000 0.000 0.295 124 I C -0.970 175.248 176.117 0.168 0.000 1.049 124 I CA -1.023 60.484 61.300 0.345 0.000 1.063 124 I CB 2.306 40.443 38.000 0.229 0.000 1.248 124 I HN 0.551 nan 8.210 nan 0.000 0.424 125 N N 3.604 122.269 118.700 -0.058 0.000 2.284 125 N HA 0.830 5.570 4.740 -0.000 0.000 0.300 125 N C -1.329 174.103 175.510 -0.130 0.000 1.047 125 N CA -0.482 52.396 53.050 -0.287 0.000 0.821 125 N CB 2.418 40.416 38.487 -0.816 0.000 1.337 125 N HN 0.734 nan 8.380 nan 0.000 0.482 126 A N 0.757 123.528 122.820 -0.082 0.000 2.515 126 A HA 0.802 5.122 4.320 -0.000 0.000 0.298 126 A C -1.408 176.149 177.584 -0.045 0.000 1.059 126 A CA -0.654 51.366 52.037 -0.029 0.000 0.698 126 A CB 1.526 20.542 19.000 0.028 0.000 1.289 126 A HN 0.420 nan 8.150 nan 0.000 0.404 127 V N 0.666 120.564 119.914 -0.027 0.000 3.048 127 V HA 0.733 4.853 4.120 -0.000 0.000 0.303 127 V C -0.904 175.200 176.094 0.017 0.000 1.214 127 V CA -0.206 62.081 62.300 -0.021 0.000 0.984 127 V CB 2.619 34.424 31.823 -0.030 0.000 1.054 127 V HN 1.036 nan 8.190 nan 0.000 0.430 128 T N 6.273 120.838 114.554 0.020 0.000 2.756 128 T HA 0.503 4.852 4.350 -0.000 0.000 0.290 128 T C -0.932 173.837 174.700 0.116 0.000 0.985 128 T CA 0.035 62.164 62.100 0.050 0.000 0.955 128 T CB 0.628 69.496 68.868 -0.001 0.000 0.930 128 T HN 0.518 nan 8.240 nan 0.000 0.451 129 F N 2.882 122.815 119.950 -0.029 0.000 2.420 129 F HA 0.324 4.850 4.527 -0.000 0.000 0.342 129 F C 1.151 176.944 175.800 -0.010 0.000 1.113 129 F CA -1.030 56.956 58.000 -0.022 0.000 1.059 129 F CB 1.316 40.304 39.000 -0.020 0.000 1.128 129 F HN 0.509 nan 8.300 nan 0.000 0.475 130 Q N 3.970 123.463 119.800 -0.512 0.000 2.431 130 Q HA 0.185 4.525 4.340 -0.000 0.000 0.210 130 Q C 0.608 176.146 176.000 -0.770 0.000 0.958 130 Q CA 0.275 55.772 55.803 -0.510 0.000 0.957 130 Q CB 0.154 28.708 28.738 -0.307 0.000 1.007 130 Q HN 0.900 nan 8.270 nan 0.000 0.511 131 G N 0.119 107.995 108.800 -1.540 0.000 3.209 131 G HA2 0.438 4.398 3.960 -0.000 0.000 0.236 131 G HA3 0.438 4.398 3.960 -0.000 0.000 0.236 131 G C -0.630 174.140 174.900 -0.216 0.000 1.329 131 G CA -0.469 44.115 45.100 -0.859 0.000 1.015 131 G HN 0.208 nan 8.290 nan 0.000 0.571 132 S N -1.084 114.690 115.700 0.124 0.000 2.722 132 S HA 0.399 4.869 4.470 -0.000 0.000 0.292 132 S C 1.280 176.095 174.600 0.358 0.000 1.135 132 S CA -0.501 57.845 58.200 0.243 0.000 1.003 132 S CB 1.575 64.886 63.200 0.185 0.000 1.067 132 S HN 0.649 nan 8.310 nan 0.000 0.546 133 L N 1.937 123.315 121.223 0.258 0.000 2.010 133 L HA -0.178 4.162 4.340 -0.000 0.000 0.219 133 L C 2.524 179.459 176.870 0.109 0.000 1.077 133 L CA 2.850 57.765 54.840 0.124 0.000 0.773 133 L CB -1.432 40.647 42.059 0.034 0.000 0.892 133 L HN 1.019 nan 8.230 nan 0.000 0.436 134 S N -1.961 113.829 115.700 0.150 0.000 2.603 134 S HA -0.075 4.395 4.470 -0.000 0.000 0.229 134 S C 1.455 176.136 174.600 0.136 0.000 0.972 134 S CA 0.821 59.103 58.200 0.137 0.000 0.935 134 S CB -0.619 62.647 63.200 0.111 0.000 0.769 134 S HN 0.705 nan 8.310 nan 0.000 0.536 135 E N 0.519 120.845 120.200 0.211 0.000 2.447 135 E HA 0.233 4.583 4.350 -0.000 0.000 0.195 135 E C -0.130 176.538 176.600 0.112 0.000 1.028 135 E CA -0.237 56.316 56.400 0.255 0.000 0.876 135 E CB -0.026 29.924 29.700 0.417 0.000 0.885 135 E HN 0.523 nan 8.360 nan 0.000 0.500 136 L N 2.014 123.138 121.223 -0.165 0.000 2.490 136 L HA -0.034 4.306 4.340 -0.000 0.000 0.274 136 L C 1.757 178.512 176.870 -0.192 0.000 1.201 136 L CA 0.254 54.791 54.840 -0.505 0.000 0.869 136 L CB 0.634 42.396 42.059 -0.494 0.000 1.123 136 L HN 0.151 nan 8.230 nan 0.000 0.484 137 T N -2.644 111.802 114.554 -0.181 0.000 3.054 137 T HA 0.035 4.385 4.350 -0.000 0.000 0.259 137 T C 0.274 174.932 174.700 -0.070 0.000 1.092 137 T CA 0.094 62.148 62.100 -0.078 0.000 1.121 137 T CB 0.137 68.978 68.868 -0.045 0.000 0.912 137 T HN 0.534 nan 8.240 nan 0.000 0.489 138 D N 0.933 121.274 120.400 -0.099 0.000 2.763 138 D HA 0.277 4.917 4.640 -0.000 0.000 0.235 138 D C 0.128 176.395 176.300 -0.055 0.000 1.334 138 D CA -0.749 53.217 54.000 -0.056 0.000 0.950 138 D CB 2.136 42.907 40.800 -0.047 0.000 1.433 138 D HN 0.067 nan 8.370 nan 0.000 0.580 139 V N 1.715 121.635 119.914 0.010 0.000 3.121 139 V HA 0.343 4.462 4.120 -0.000 0.000 0.344 139 V C 0.701 176.874 176.094 0.132 0.000 1.390 139 V CA 0.012 62.342 62.300 0.049 0.000 1.177 139 V CB -0.593 31.304 31.823 0.123 0.000 1.163 139 V HN 0.454 nan 8.190 nan 0.000 0.484 140 S N -0.819 114.939 115.700 0.097 0.000 2.603 140 S HA 0.316 4.786 4.470 -0.000 0.000 0.268 140 S C 0.852 175.528 174.600 0.127 0.000 1.317 140 S CA 0.137 58.411 58.200 0.124 0.000 1.012 140 S CB 0.836 64.080 63.200 0.073 0.000 0.926 140 S HN 0.450 nan 8.310 nan 0.000 0.539 141 Y N 2.509 122.827 120.300 0.029 0.000 2.069 141 Y HA -0.276 4.274 4.550 -0.000 0.000 0.278 141 Y C 2.126 178.032 175.900 0.010 0.000 1.175 141 Y CA 2.651 60.761 58.100 0.016 0.000 1.134 141 Y CB -0.470 37.990 38.460 -0.000 0.000 0.965 141 Y HN 0.723 nan 8.280 nan 0.000 0.498 142 N N -0.260 118.531 118.700 0.153 0.000 2.300 142 N HA -0.060 4.680 4.740 -0.000 0.000 0.179 142 N C 2.042 177.537 175.510 -0.025 0.000 1.016 142 N CA 1.074 54.146 53.050 0.037 0.000 0.876 142 N CB -0.819 37.734 38.487 0.111 0.000 0.979 142 N HN 0.544 nan 8.380 nan 0.000 0.432 143 G N 2.139 110.936 108.800 -0.006 0.000 2.442 143 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 143 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 143 G C 1.647 176.510 174.900 -0.060 0.000 1.141 143 G CA 0.438 45.522 45.100 -0.026 0.000 0.763 143 G HN 0.233 nan 8.290 nan 0.000 0.554 144 L N 0.087 121.260 121.223 -0.084 0.000 2.129 144 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 144 L C 2.840 179.652 176.870 -0.098 0.000 1.087 144 L CA 0.715 55.490 54.840 -0.107 0.000 0.757 144 L CB -0.477 41.504 42.059 -0.130 0.000 0.896 144 L HN 0.147 nan 8.230 nan 0.000 0.434 145 M N -0.329 119.209 119.600 -0.102 0.000 2.435 145 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 145 M C 1.969 178.238 176.300 -0.052 0.000 1.065 145 M CA 1.373 56.624 55.300 -0.082 0.000 1.076 145 M CB -1.190 31.361 32.600 -0.081 0.000 1.403 145 M HN 0.382 nan 8.290 nan 0.000 0.454 146 S N -1.501 114.173 115.700 -0.045 0.000 2.578 146 S HA 0.412 4.882 4.470 -0.000 0.000 0.231 146 S C 1.762 176.354 174.600 -0.013 0.000 0.994 146 S CA 0.203 58.388 58.200 -0.026 0.000 0.956 146 S CB -0.147 63.040 63.200 -0.022 0.000 0.870 146 S HN 0.361 nan 8.310 nan 0.000 0.494 147 A N 1.601 124.406 122.820 -0.025 0.000 2.024 147 A HA 0.115 4.434 4.320 -0.000 0.000 0.220 147 A C 1.371 179.032 177.584 0.128 0.000 1.164 147 A CA 1.679 53.716 52.037 0.001 0.000 0.643 147 A CB -0.457 18.499 19.000 -0.073 0.000 0.806 147 A HN 0.521 nan 8.150 nan 0.000 0.451 148 T N -3.931 110.667 114.554 0.074 0.000 2.906 148 T HA 0.575 4.925 4.350 -0.000 0.000 0.295 148 T C 0.368 175.077 174.700 0.016 0.000 1.075 148 T CA 0.071 62.209 62.100 0.064 0.000 1.005 148 T CB 1.765 70.662 68.868 0.049 0.000 1.136 148 T HN 0.449 nan 8.240 nan 0.000 0.498 149 A N 2.571 125.394 122.820 0.005 0.000 2.267 149 A HA 0.322 4.642 4.320 -0.000 0.000 0.213 149 A C 0.620 178.188 177.584 -0.026 0.000 1.192 149 A CA -0.136 51.895 52.037 -0.010 0.000 0.851 149 A CB -0.182 18.813 19.000 -0.008 0.000 0.881 149 A HN 0.727 nan 8.150 nan 0.000 0.494 150 N N 0.924 119.605 118.700 -0.033 0.000 2.405 150 N HA 0.106 4.846 4.740 -0.000 0.000 0.260 150 N C 0.626 176.095 175.510 -0.067 0.000 1.152 150 N CA -0.234 52.785 53.050 -0.052 0.000 0.948 150 N CB 1.172 39.623 38.487 -0.061 0.000 1.111 150 N HN 0.217 nan 8.380 nan 0.000 0.485 151 I N 2.328 122.856 120.570 -0.071 0.000 2.423 151 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 151 I C 1.078 177.122 176.117 -0.122 0.000 1.151 151 I CA 1.331 62.581 61.300 -0.083 0.000 1.421 151 I CB -0.121 37.835 38.000 -0.072 0.000 1.079 151 I HN 0.390 nan 8.210 nan 0.000 0.431 152 N N 0.575 119.187 118.700 -0.147 0.000 2.370 152 N HA -0.005 4.735 4.740 -0.000 0.000 0.198 152 N C 0.198 175.571 175.510 -0.230 0.000 1.156 152 N CA 0.436 53.352 53.050 -0.224 0.000 0.839 152 N CB -0.032 38.310 38.487 -0.242 0.000 0.989 152 N HN 0.434 nan 8.380 nan 0.000 0.468 153 D N 0.278 120.584 120.400 -0.155 0.000 2.535 153 D HA 0.086 4.726 4.640 -0.000 0.000 0.229 153 D C 0.017 176.260 176.300 -0.095 0.000 1.238 153 D CA 0.165 54.089 54.000 -0.126 0.000 0.824 153 D CB 0.854 41.604 40.800 -0.084 0.000 1.045 153 D HN 0.387 nan 8.370 nan 0.000 0.500 154 K N -0.242 120.093 120.400 -0.109 0.000 2.532 154 K HA 0.672 4.992 4.320 -0.000 0.000 0.265 154 K C -1.469 175.076 176.600 -0.092 0.000 0.948 154 K CA -0.894 55.343 56.287 -0.085 0.000 0.842 154 K CB 2.628 35.087 32.500 -0.069 0.000 1.392 154 K HN -0.171 nan 8.250 nan 0.000 0.436 155 I N 0.342 120.869 120.570 -0.072 0.000 2.722 155 I HA 0.559 4.729 4.170 -0.000 0.000 0.292 155 I C -1.317 174.773 176.117 -0.046 0.000 1.267 155 I CA -0.039 61.231 61.300 -0.051 0.000 1.036 155 I CB 2.496 40.478 38.000 -0.030 0.000 1.281 155 I HN 0.887 nan 8.210 nan 0.000 0.423 156 G N 3.819 112.604 108.800 -0.026 0.000 2.542 156 G HA2 0.425 4.385 3.960 -0.000 0.000 0.311 156 G HA3 0.425 4.385 3.960 -0.000 0.000 0.311 156 G C -0.633 174.287 174.900 0.033 0.000 1.298 156 G CA -0.583 44.503 45.100 -0.024 0.000 0.973 156 G HN 0.653 nan 8.290 nan 0.000 0.487 157 N N -0.610 118.136 118.700 0.076 0.000 2.714 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 157 N C 0.314 175.895 175.510 0.118 0.000 1.014 157 N CA 0.687 53.828 53.050 0.151 0.000 0.735 157 N CB -0.887 37.683 38.487 0.139 0.000 0.924 157 N HN 0.408 nan 8.380 nan 0.000 0.540 158 V N 1.016 120.999 119.914 0.114 0.000 2.614 158 V HA 0.150 4.270 4.120 -0.000 0.000 0.291 158 V C 1.367 177.528 176.094 0.111 0.000 1.049 158 V CA -0.625 61.736 62.300 0.100 0.000 1.038 158 V CB 1.201 33.082 31.823 0.097 0.000 0.980 158 V HN 0.169 nan 8.190 nan 0.000 0.481 159 L N 4.748 126.023 121.223 0.088 0.000 2.455 159 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 159 L C 1.463 178.380 176.870 0.078 0.000 1.174 159 L CA -0.181 54.707 54.840 0.079 0.000 0.869 159 L CB 0.763 42.858 42.059 0.060 0.000 1.130 159 L HN 0.573 nan 8.230 nan 0.000 0.474 160 V N 2.551 122.512 119.914 0.078 0.000 2.469 160 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 160 V C 2.287 178.403 176.094 0.037 0.000 1.064 160 V CA 2.059 64.396 62.300 0.062 0.000 1.066 160 V CB -1.101 30.748 31.823 0.044 0.000 0.667 160 V HN 1.096 nan 8.190 nan 0.000 0.461 161 G N -0.150 108.670 108.800 0.034 0.000 2.422 161 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.218 161 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.218 161 G C 1.473 176.392 174.900 0.031 0.000 1.140 161 G CA 0.709 45.824 45.100 0.025 0.000 0.775 161 G HN 0.616 nan 8.290 nan 0.000 0.545 162 E N -0.010 120.216 120.200 0.043 0.000 2.122 162 E HA 0.271 4.620 4.350 -0.000 0.000 0.190 162 E C 1.505 178.137 176.600 0.054 0.000 0.977 162 E CA 0.295 56.724 56.400 0.048 0.000 0.820 162 E CB 0.006 29.740 29.700 0.056 0.000 0.770 162 E HN 0.432 nan 8.360 nan 0.000 0.462 163 G N 0.696 109.532 108.800 0.060 0.000 2.795 163 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.664 163 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.664 163 G C -0.703 174.244 174.900 0.079 0.000 1.381 163 G CA -0.423 44.715 45.100 0.064 0.000 0.853 163 G HN 0.149 nan 8.290 nan 0.000 0.545 164 V N 0.317 120.277 119.914 0.078 0.000 2.823 164 V HA 0.819 4.939 4.120 -0.000 0.000 0.312 164 V C 0.355 176.475 176.094 0.042 0.000 1.072 164 V CA -0.157 62.194 62.300 0.085 0.000 0.937 164 V CB 2.414 34.295 31.823 0.097 0.000 1.013 164 V HN 1.157 nan 8.190 nan 0.000 0.430 165 T N 3.501 118.072 114.554 0.028 0.000 2.792 165 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 165 T C -0.603 174.045 174.700 -0.087 0.000 0.990 165 T CA -0.303 61.723 62.100 -0.124 0.000 0.960 165 T CB 1.490 70.122 68.868 -0.394 0.000 0.939 165 T HN 0.349 nan 8.240 nan 0.000 0.439 166 V N 4.838 124.644 119.914 -0.181 0.000 2.370 166 V HA 0.480 4.600 4.120 -0.000 0.000 0.279 166 V C -0.430 175.535 176.094 -0.215 0.000 1.029 166 V CA -0.782 61.416 62.300 -0.170 0.000 0.870 166 V CB 1.205 32.844 31.823 -0.307 0.000 0.984 166 V HN 0.606 nan 8.190 nan 0.000 0.451 167 L N 4.790 125.951 121.223 -0.104 0.000 2.333 167 L HA 0.571 4.911 4.340 -0.000 0.000 0.280 167 L C 0.215 177.045 176.870 -0.067 0.000 1.004 167 L CA 0.205 54.981 54.840 -0.107 0.000 0.820 167 L CB 1.902 43.977 42.059 0.026 0.000 1.247 167 L HN 0.621 nan 8.230 nan 0.000 0.416 168 S N 5.596 121.248 115.700 -0.080 0.000 2.455 168 S HA 0.536 5.006 4.470 -0.000 0.000 0.278 168 S C -0.331 174.251 174.600 -0.030 0.000 1.216 168 S CA -0.429 57.741 58.200 -0.051 0.000 1.055 168 S CB -0.313 62.858 63.200 -0.049 0.000 0.939 168 S HN 0.577 nan 8.310 nan 0.000 0.494 169 L N 6.760 127.963 121.223 -0.033 0.000 2.331 169 L HA 0.547 4.887 4.340 -0.000 0.000 0.275 169 L C -1.683 175.153 176.870 -0.058 0.000 1.022 169 L CA -2.347 52.475 54.840 -0.030 0.000 0.812 169 L CB 1.412 43.446 42.059 -0.043 0.000 1.257 169 L HN 0.521 nan 8.230 nan 0.000 0.435 170 P HA 0.014 nan 4.420 nan 0.000 0.267 170 P C -0.374 176.780 177.300 -0.244 0.000 1.200 170 P CA -0.052 62.905 63.100 -0.239 0.000 0.772 170 P CB 0.539 31.924 31.700 -0.525 0.000 0.855 171 T N -1.879 112.512 114.554 -0.272 0.000 3.466 171 T HA 0.478 4.828 4.350 -0.000 0.000 0.297 171 T C -0.200 174.324 174.700 -0.294 0.000 1.640 171 T CA -0.554 61.409 62.100 -0.228 0.000 1.631 171 T CB -0.929 67.842 68.868 -0.162 0.000 0.928 171 T HN 0.714 nan 8.240 nan 0.000 0.688 172 S N 0.549 116.026 115.700 -0.370 0.000 2.978 172 S HA -0.086 4.383 4.470 -0.000 0.000 0.855 172 S C -1.000 173.313 174.600 -0.478 0.000 0.951 172 S CA -0.747 57.245 58.200 -0.347 0.000 1.377 172 S CB -1.010 62.047 63.200 -0.238 0.000 0.983 172 S HN 0.686 nan 8.310 nan 0.000 0.235 173 Y N 1.748 122.013 120.300 -0.059 0.000 2.732 173 Y HA 0.483 5.033 4.550 -0.000 0.000 0.327 173 Y C 1.213 177.075 175.900 -0.063 0.000 1.162 173 Y CA -0.182 57.883 58.100 -0.059 0.000 1.238 173 Y CB 0.549 38.981 38.460 -0.048 0.000 1.443 173 Y HN 0.813 nan 8.280 nan 0.000 0.584 174 D N 0.774 121.279 120.400 0.174 0.000 2.751 174 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 174 D C -1.050 175.279 176.300 0.048 0.000 1.149 174 D CA 0.782 54.830 54.000 0.080 0.000 0.682 174 D CB -1.063 39.773 40.800 0.059 0.000 1.068 174 D HN 0.256 nan 8.370 nan 0.000 0.429 175 L N -0.017 121.228 121.223 0.037 0.000 2.395 175 L HA 0.438 4.778 4.340 -0.000 0.000 0.269 175 L C 1.788 178.735 176.870 0.129 0.000 1.133 175 L CA -0.132 54.713 54.840 0.008 0.000 0.812 175 L CB 1.061 43.059 42.059 -0.102 0.000 1.125 175 L HN 0.021 nan 8.230 nan 0.000 0.452 176 G N 0.674 109.614 108.800 0.235 0.000 2.599 176 G HA2 0.213 4.173 3.960 -0.000 0.000 0.264 176 G HA3 0.213 4.173 3.960 -0.000 0.000 0.264 176 G C -0.920 174.128 174.900 0.246 0.000 1.200 176 G CA -0.332 44.920 45.100 0.253 0.000 0.896 176 G HN 0.325 nan 8.290 nan 0.000 0.536 177 Y N -1.083 119.275 120.300 0.097 0.000 2.379 177 Y HA 0.308 4.858 4.550 -0.000 0.000 0.337 177 Y C 0.840 176.791 175.900 0.086 0.000 1.238 177 Y CA 0.074 58.229 58.100 0.092 0.000 1.405 177 Y CB 1.217 39.711 38.460 0.057 0.000 1.310 177 Y HN 0.157 nan 8.280 nan 0.000 0.569 178 V N 4.097 124.067 119.914 0.093 0.000 2.483 178 V HA 0.394 4.514 4.120 -0.000 0.000 0.295 178 V C -0.128 175.975 176.094 0.015 0.000 1.035 178 V CA -1.227 61.015 62.300 -0.096 0.000 0.896 178 V CB 1.550 33.079 31.823 -0.491 0.000 0.986 178 V HN 0.530 nan 8.190 nan 0.000 0.447 179 R N 2.726 123.175 120.500 -0.085 0.000 2.491 179 R HA 0.268 4.608 4.340 -0.000 0.000 0.283 179 R C 0.562 176.709 176.300 -0.255 0.000 1.072 179 R CA 0.203 56.069 56.100 -0.390 0.000 1.048 179 R CB 0.191 30.323 30.300 -0.280 0.000 0.983 179 R HN 0.713 nan 8.270 nan 0.000 0.450 180 L N 3.058 124.126 121.223 -0.258 0.000 2.599 180 L HA 0.198 4.538 4.340 -0.000 0.000 0.230 180 L C 1.025 177.850 176.870 -0.075 0.000 1.141 180 L CA 0.757 55.517 54.840 -0.133 0.000 0.877 180 L CB 0.035 42.038 42.059 -0.094 0.000 1.009 180 L HN 1.079 nan 8.230 nan 0.000 0.447 181 G N 0.838 109.580 108.800 -0.097 0.000 2.171 181 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.238 181 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.238 181 G C -0.087 174.785 174.900 -0.048 0.000 1.039 181 G CA 0.196 45.264 45.100 -0.053 0.000 0.759 181 G HN 0.525 nan 8.290 nan 0.000 0.501 182 D N 0.317 120.672 120.400 -0.075 0.000 2.362 182 D HA 0.389 5.028 4.640 -0.000 0.000 0.242 182 D C -2.114 174.156 176.300 -0.050 0.000 1.132 182 D CA -1.393 52.571 54.000 -0.060 0.000 0.907 182 D CB 1.494 42.245 40.800 -0.081 0.000 1.195 182 D HN 0.250 nan 8.370 nan 0.000 0.429 183 P HA 0.196 nan 4.420 nan 0.000 0.275 183 P C -0.035 177.245 177.300 -0.033 0.000 1.228 183 P CA -0.382 62.700 63.100 -0.030 0.000 0.786 183 P CB 1.074 32.760 31.700 -0.022 0.000 0.927 184 I N -0.542 120.010 120.570 -0.029 0.000 2.863 184 I HA 0.641 4.811 4.170 -0.000 0.000 0.311 184 I C -2.569 173.536 176.117 -0.020 0.000 1.026 184 I CA -3.413 57.872 61.300 -0.026 0.000 1.077 184 I CB 1.028 39.012 38.000 -0.026 0.000 1.262 184 I HN 0.047 nan 8.210 nan 0.000 0.461 185 P HA 0.434 nan 4.420 nan 0.000 0.271 185 P C -1.009 176.284 177.300 -0.012 0.000 1.226 185 P CA 0.026 63.118 63.100 -0.014 0.000 0.765 185 P CB 0.903 32.596 31.700 -0.012 0.000 0.835 186 A N 3.199 126.012 122.820 -0.011 0.000 2.612 186 A HA 0.800 5.120 4.320 -0.000 0.000 0.293 186 A C -1.256 176.323 177.584 -0.008 0.000 1.075 186 A CA -0.649 51.382 52.037 -0.009 0.000 0.680 186 A CB 1.134 20.127 19.000 -0.010 0.000 1.279 186 A HN 0.555 nan 8.150 nan 0.000 0.411 187 I N -1.444 119.122 120.570 -0.007 0.000 2.656 187 I HA 0.930 5.100 4.170 -0.000 0.000 0.292 187 I C -0.083 176.031 176.117 -0.005 0.000 1.144 187 I CA -0.749 60.548 61.300 -0.006 0.000 1.038 187 I CB 2.275 40.272 38.000 -0.005 0.000 1.244 187 I HN 1.053 nan 8.210 nan 0.000 0.420 188 G N 4.023 112.821 108.800 -0.004 0.000 2.692 188 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 188 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 188 G C -0.079 174.819 174.900 -0.003 0.000 1.423 188 G CA -0.915 44.183 45.100 -0.004 0.000 0.843 188 G HN 0.712 nan 8.290 nan 0.000 0.486 189 L N -0.443 120.778 121.223 -0.003 0.000 2.131 189 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 189 L C 0.845 177.713 176.870 -0.002 0.000 1.092 189 L CA 0.773 55.611 54.840 -0.003 0.000 0.759 189 L CB 0.070 42.128 42.059 -0.003 0.000 0.903 189 L HN 0.371 nan 8.230 nan 0.000 0.435 190 D N 0.396 120.795 120.400 -0.003 0.000 2.295 190 D HA 0.077 4.717 4.640 -0.000 0.000 0.248 190 D C -1.415 174.884 176.300 -0.002 0.000 1.154 190 D CA -1.971 52.027 54.000 -0.002 0.000 0.857 190 D CB 1.618 42.416 40.800 -0.002 0.000 1.117 190 D HN -0.041 nan 8.370 nan 0.000 0.468 191 P HA -0.104 nan 4.420 nan 0.000 0.220 191 P C 0.532 177.832 177.300 0.000 0.000 1.148 191 P CA 0.773 63.873 63.100 -0.000 0.000 0.803 191 P CB 0.399 32.100 31.700 0.001 0.000 0.782 192 K N -0.960 119.440 120.400 0.001 0.000 2.522 192 K HA 0.130 4.450 4.320 -0.000 0.000 0.194 192 K C 1.175 177.775 176.600 0.001 0.000 1.026 192 K CA -0.208 56.080 56.287 0.002 0.000 1.119 192 K CB -0.186 32.315 32.500 0.002 0.000 0.856 192 K HN 0.205 nan 8.250 nan 0.000 0.513 193 M N 2.064 121.663 119.600 -0.001 0.000 2.239 193 M HA 0.061 4.540 4.480 -0.000 0.000 0.348 193 M C -0.849 175.450 176.300 -0.003 0.000 1.239 193 M CA 0.463 55.762 55.300 -0.002 0.000 1.114 193 M CB 0.661 33.259 32.600 -0.003 0.000 1.641 193 M HN -0.222 nan 8.290 nan 0.000 0.453 194 V N 4.171 124.083 119.914 -0.003 0.000 2.760 194 V HA 0.833 4.953 4.120 -0.000 0.000 0.309 194 V C -0.723 175.367 176.094 -0.008 0.000 1.077 194 V CA -0.897 61.400 62.300 -0.004 0.000 0.910 194 V CB 1.774 33.597 31.823 -0.001 0.000 1.008 194 V HN 0.975 nan 8.190 nan 0.000 0.424 195 A N 2.945 125.759 122.820 -0.011 0.000 2.408 195 A HA 0.946 5.266 4.320 -0.000 0.000 0.295 195 A C -0.334 177.237 177.584 -0.023 0.000 1.040 195 A CA -0.206 51.821 52.037 -0.017 0.000 0.707 195 A CB 1.915 20.905 19.000 -0.016 0.000 1.235 195 A HN 1.039 nan 8.150 nan 0.000 0.418 196 T N -2.081 112.455 114.554 -0.029 0.000 2.865 196 T HA 0.604 4.954 4.350 -0.000 0.000 0.294 196 T C -0.792 173.875 174.700 -0.055 0.000 1.119 196 T CA -0.724 61.353 62.100 -0.039 0.000 1.007 196 T CB 1.383 70.231 68.868 -0.033 0.000 1.225 196 T HN 1.249 nan 8.240 nan 0.000 0.515 197 C N 2.387 121.645 119.300 -0.070 0.000 2.271 197 C HA 0.647 5.107 4.460 -0.000 0.000 0.323 197 C C -0.716 174.212 174.990 -0.103 0.000 1.245 197 C CA -0.436 58.530 59.018 -0.087 0.000 1.548 197 C CB -1.234 26.448 27.740 -0.096 0.000 2.214 197 C HN 0.863 nan 8.230 nan 0.000 0.477 198 D N 2.491 122.830 120.400 -0.101 0.000 2.332 198 D HA 0.222 4.862 4.640 -0.000 0.000 0.252 198 D C -0.032 176.218 176.300 -0.083 0.000 1.050 198 D CA 0.132 54.080 54.000 -0.087 0.000 0.970 198 D CB 1.570 42.322 40.800 -0.080 0.000 1.141 198 D HN 0.572 nan 8.370 nan 0.000 0.485 199 S N -0.284 115.379 115.700 -0.063 0.000 2.515 199 S HA 0.133 4.603 4.470 -0.000 0.000 0.285 199 S C 0.888 175.482 174.600 -0.009 0.000 1.265 199 S CA 0.203 58.359 58.200 -0.074 0.000 1.079 199 S CB -0.055 63.088 63.200 -0.095 0.000 0.877 199 S HN 0.463 nan 8.310 nan 0.000 0.493 200 S N 2.734 118.433 115.700 -0.001 0.000 2.882 200 S HA 0.201 4.671 4.470 -0.000 0.000 0.258 200 S C -0.371 174.275 174.600 0.076 0.000 1.081 200 S CA -0.430 57.803 58.200 0.055 0.000 0.886 200 S CB -0.624 62.583 63.200 0.011 0.000 0.855 200 S HN 0.660 nan 8.310 nan 0.000 0.467 201 D N 3.307 123.745 120.400 0.063 0.000 2.525 201 D HA 0.274 4.914 4.640 -0.000 0.000 0.235 201 D C 0.147 176.515 176.300 0.112 0.000 1.137 201 D CA 0.620 54.673 54.000 0.090 0.000 0.868 201 D CB -0.037 40.830 40.800 0.111 0.000 1.180 201 D HN 0.191 nan 8.370 nan 0.000 0.465 202 R N -0.332 120.228 120.500 0.100 0.000 3.184 202 R HA -0.102 4.238 4.340 -0.000 0.000 0.257 202 R C -2.451 173.889 176.300 0.066 0.000 0.999 202 R CA -0.045 56.108 56.100 0.089 0.000 0.670 202 R CB -1.739 28.647 30.300 0.142 0.000 1.197 202 R HN 0.465 nan 8.270 nan 0.000 0.419 203 P HA 0.060 nan 4.420 nan 0.000 0.272 203 P C -0.363 176.917 177.300 -0.032 0.000 1.230 203 P CA -0.073 63.041 63.100 0.023 0.000 0.788 203 P CB 0.715 32.433 31.700 0.030 0.000 0.949 204 R N 1.035 121.492 120.500 -0.071 0.000 2.460 204 R HA 0.544 4.884 4.340 -0.000 0.000 0.303 204 R C -1.410 174.769 176.300 -0.201 0.000 0.968 204 R CA -0.744 55.260 56.100 -0.160 0.000 0.889 204 R CB 0.996 31.183 30.300 -0.188 0.000 1.123 204 R HN 0.260 nan 8.270 nan 0.000 0.455 205 V N 5.205 124.964 119.914 -0.259 0.000 2.531 205 V HA 0.374 4.494 4.120 -0.000 0.000 0.301 205 V C -1.310 174.634 176.094 -0.251 0.000 1.034 205 V CA -0.724 61.465 62.300 -0.186 0.000 0.865 205 V CB 1.564 33.329 31.823 -0.098 0.000 0.995 205 V HN 0.695 nan 8.190 nan 0.000 0.424 206 Y N 1.707 121.977 120.300 -0.049 0.000 2.341 206 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 206 Y C 0.736 176.589 175.900 -0.078 0.000 1.014 206 Y CA -0.525 57.542 58.100 -0.055 0.000 1.111 206 Y CB 2.097 40.530 38.460 -0.046 0.000 1.194 206 Y HN 0.501 nan 8.280 nan 0.000 0.462 207 T N 5.494 120.082 114.554 0.056 0.000 2.770 207 T HA 0.574 4.924 4.350 -0.000 0.000 0.283 207 T C -0.471 174.177 174.700 -0.087 0.000 0.988 207 T CA -0.499 61.583 62.100 -0.031 0.000 0.957 207 T CB 0.179 69.021 68.868 -0.044 0.000 0.930 207 T HN 0.383 nan 8.240 nan 0.000 0.443 208 I N 2.925 123.390 120.570 -0.175 0.000 2.410 208 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 208 I C 0.190 176.106 176.117 -0.334 0.000 1.009 208 I CA -0.674 60.436 61.300 -0.316 0.000 1.111 208 I CB 1.825 39.494 38.000 -0.552 0.000 1.262 208 I HN 0.454 nan 8.210 nan 0.000 0.443 209 T N 5.714 120.107 114.554 -0.268 0.000 2.891 209 T HA 0.254 4.604 4.350 -0.000 0.000 0.315 209 T C 1.138 175.694 174.700 -0.240 0.000 1.054 209 T CA -0.283 61.692 62.100 -0.209 0.000 0.958 209 T CB 1.192 69.982 68.868 -0.129 0.000 1.008 209 T HN 0.759 nan 8.240 nan 0.000 0.521 210 A N 2.869 125.524 122.820 -0.275 0.000 2.014 210 A HA 0.552 4.871 4.320 -0.000 0.000 0.218 210 A C 1.220 178.770 177.584 -0.057 0.000 1.163 210 A CA 0.673 52.598 52.037 -0.187 0.000 0.652 210 A CB 0.076 19.070 19.000 -0.010 0.000 0.808 210 A HN 0.865 nan 8.150 nan 0.000 0.449 211 A N -0.998 121.792 122.820 -0.050 0.000 2.566 211 A HA 0.554 4.874 4.320 -0.000 0.000 0.297 211 A C -1.855 175.740 177.584 0.018 0.000 1.059 211 A CA -0.194 51.854 52.037 0.019 0.000 0.691 211 A CB 1.110 20.148 19.000 0.064 0.000 1.282 211 A HN 0.069 nan 8.150 nan 0.000 0.401 212 D N 1.820 122.263 120.400 0.072 0.000 2.429 212 D HA 0.390 5.030 4.640 -0.000 0.000 0.255 212 D C -0.790 175.568 176.300 0.097 0.000 1.257 212 D CA 0.229 54.261 54.000 0.053 0.000 0.890 212 D CB 0.132 40.952 40.800 0.034 0.000 1.267 212 D HN 0.463 nan 8.370 nan 0.000 0.521 213 D N 2.000 122.462 120.400 0.104 0.000 2.718 213 D HA -0.279 4.361 4.640 -0.000 0.000 0.242 213 D C -0.755 175.644 176.300 0.165 0.000 1.123 213 D CA 0.455 54.530 54.000 0.124 0.000 0.690 213 D CB -1.405 39.450 40.800 0.093 0.000 1.059 213 D HN 0.458 nan 8.370 nan 0.000 0.429 214 Y N 1.382 121.748 120.300 0.110 0.000 2.335 214 Y HA 0.213 4.763 4.550 -0.000 0.000 0.331 214 Y C 0.434 176.443 175.900 0.183 0.000 1.094 214 Y CA -0.070 58.114 58.100 0.141 0.000 1.253 214 Y CB 0.700 39.267 38.460 0.179 0.000 1.203 214 Y HN -0.061 nan 8.280 nan 0.000 0.508 215 Q N 7.523 126.917 119.800 -0.676 0.000 2.322 215 Q HA 0.182 4.522 4.340 -0.000 0.000 0.256 215 Q C -1.328 174.143 176.000 -0.881 0.000 0.960 215 Q CA -0.335 55.136 55.803 -0.552 0.000 0.934 215 Q CB 1.397 29.928 28.738 -0.346 0.000 1.200 215 Q HN 0.708 nan 8.270 nan 0.000 0.435 216 F N 1.373 120.836 119.950 -0.812 0.000 2.469 216 F HA 0.560 5.087 4.527 -0.000 0.000 0.332 216 F C -0.606 174.812 175.800 -0.637 0.000 1.103 216 F CA -0.656 56.804 58.000 -0.900 0.000 0.979 216 F CB 1.789 39.718 39.000 -1.785 0.000 1.137 216 F HN 0.363 nan 8.300 nan 0.000 0.463 217 S N 3.411 118.140 115.700 -1.618 0.000 2.562 217 S HA 0.759 5.229 4.470 -0.000 0.000 0.274 217 S C -1.587 172.403 174.600 -1.016 0.000 1.160 217 S CA -0.398 57.128 58.200 -1.124 0.000 0.933 217 S CB 1.139 64.011 63.200 -0.546 0.000 1.100 217 S HN 0.790 nan 8.310 nan 0.000 0.468 218 S N 2.191 117.467 115.700 -0.706 0.000 2.552 218 S HA 0.381 4.851 4.470 -0.000 0.000 0.272 218 S C -1.472 173.055 174.600 -0.121 0.000 1.150 218 S CA -0.746 57.249 58.200 -0.341 0.000 0.849 218 S CB 1.735 64.799 63.200 -0.226 0.000 1.113 218 S HN 0.735 nan 8.310 nan 0.000 0.458 219 Q N 1.181 120.950 119.800 -0.052 0.000 2.352 219 Q HA 0.398 4.738 4.340 -0.000 0.000 0.260 219 Q C -0.606 175.451 176.000 0.094 0.000 0.976 219 Q CA -0.080 55.739 55.803 0.026 0.000 0.881 219 Q CB 0.233 28.983 28.738 0.019 0.000 1.235 219 Q HN 0.604 nan 8.270 nan 0.000 0.419 220 Y N 2.426 122.739 120.300 0.021 0.000 2.648 220 Y HA -0.039 4.511 4.550 -0.000 0.000 0.353 220 Y C -0.546 175.379 175.900 0.042 0.000 1.271 220 Y CA 0.810 58.937 58.100 0.045 0.000 1.483 220 Y CB 0.493 38.976 38.460 0.040 0.000 1.359 220 Y HN 0.640 nan 8.280 nan 0.000 0.669 221 Q N 1.676 120.796 119.800 -1.133 0.000 2.541 221 Q HA 0.238 4.578 4.340 -0.000 0.000 0.259 221 Q C -1.451 173.874 176.000 -1.124 0.000 0.974 221 Q CA -0.685 54.576 55.803 -0.902 0.000 0.955 221 Q CB 1.768 30.304 28.738 -0.336 0.000 1.517 221 Q HN 0.767 nan 8.270 nan 0.000 0.412 222 S N 0.242 115.503 115.700 -0.732 0.000 2.549 222 S HA 0.445 4.915 4.470 -0.000 0.000 0.286 222 S C 1.178 175.674 174.600 -0.173 0.000 1.314 222 S CA 0.575 58.602 58.200 -0.288 0.000 1.062 222 S CB 0.883 64.047 63.200 -0.061 0.000 0.865 222 S HN 1.089 nan 8.310 nan 0.000 0.498 223 G N 1.530 110.291 108.800 -0.066 0.000 2.241 223 G HA2 0.199 4.159 3.960 -0.000 0.000 0.244 223 G HA3 0.199 4.159 3.960 -0.000 0.000 0.244 223 G C 0.720 175.604 174.900 -0.027 0.000 0.998 223 G CA -0.013 45.067 45.100 -0.034 0.000 0.621 223 G HN 2.233 nan 8.290 nan 0.000 0.519 224 G N -2.068 106.699 108.800 -0.055 0.000 2.690 224 G HA2 0.322 4.281 3.960 -0.000 0.000 0.686 224 G HA3 0.322 4.281 3.960 -0.000 0.000 0.686 224 G C -0.404 174.501 174.900 0.008 0.000 1.277 224 G CA 0.016 45.116 45.100 0.000 0.000 0.799 224 G HN 1.657 nan 8.290 nan 0.000 0.613 225 V N 0.848 120.802 119.914 0.067 0.000 2.394 225 V HA 0.704 4.824 4.120 -0.000 0.000 0.282 225 V C 0.716 176.862 176.094 0.086 0.000 1.031 225 V CA -0.303 62.058 62.300 0.102 0.000 0.881 225 V CB 1.445 33.406 31.823 0.229 0.000 0.982 225 V HN 0.973 nan 8.190 nan 0.000 0.451 226 T N 6.785 121.377 114.554 0.064 0.000 2.829 226 T HA 0.751 5.101 4.350 -0.000 0.000 0.282 226 T C -0.139 174.598 174.700 0.061 0.000 0.990 226 T CA -0.151 61.976 62.100 0.046 0.000 1.028 226 T CB 1.055 69.939 68.868 0.027 0.000 0.951 226 T HN 0.754 nan 8.240 nan 0.000 0.460 227 I N -0.889 119.713 120.570 0.053 0.000 2.969 227 I HA 0.700 4.869 4.170 -0.000 0.000 0.307 227 I C -0.929 175.210 176.117 0.037 0.000 1.149 227 I CA -0.893 60.449 61.300 0.070 0.000 1.008 227 I CB 2.652 40.727 38.000 0.125 0.000 1.232 227 I HN 0.338 nan 8.210 nan 0.000 0.435 228 T N 4.713 119.275 114.554 0.013 0.000 2.874 228 T HA 0.261 4.611 4.350 -0.000 0.000 0.321 228 T C 0.674 175.352 174.700 -0.036 0.000 1.075 228 T CA -0.283 61.793 62.100 -0.039 0.000 0.966 228 T CB 1.100 69.926 68.868 -0.071 0.000 1.001 228 T HN 0.602 nan 8.240 nan 0.000 0.476 229 L N 4.469 125.673 121.223 -0.032 0.000 2.042 229 L HA 0.173 4.513 4.340 -0.000 0.000 0.210 229 L C 0.189 177.102 176.870 0.073 0.000 1.076 229 L CA 1.889 56.733 54.840 0.007 0.000 0.749 229 L CB -0.305 41.815 42.059 0.102 0.000 0.893 229 L HN 0.709 nan 8.230 nan 0.000 0.432 230 F N -3.389 116.545 119.950 -0.026 0.000 2.741 230 F HA 0.609 5.136 4.527 -0.000 0.000 0.311 230 F C -0.811 174.977 175.800 -0.020 0.000 1.149 230 F CA -0.859 57.118 58.000 -0.037 0.000 0.930 230 F CB 0.542 39.511 39.000 -0.052 0.000 1.312 230 F HN -0.286 nan 8.300 nan 0.000 0.450 231 S N 1.461 117.311 115.700 0.249 0.000 2.575 231 S HA 0.915 5.385 4.470 -0.000 0.000 0.278 231 S C -1.498 173.237 174.600 0.226 0.000 1.139 231 S CA 0.210 58.493 58.200 0.138 0.000 0.954 231 S CB 1.193 64.402 63.200 0.015 0.000 1.054 231 S HN 1.838 nan 8.310 nan 0.000 0.483 232 A N 3.914 126.851 122.820 0.196 0.000 2.515 232 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 232 A C -1.106 176.475 177.584 -0.004 0.000 1.059 232 A CA -0.903 51.184 52.037 0.082 0.000 0.698 232 A CB 1.207 20.235 19.000 0.047 0.000 1.289 232 A HN 0.741 nan 8.150 nan 0.000 0.404 233 N N 1.189 119.869 118.700 -0.033 0.000 2.488 233 N HA 0.609 5.349 4.740 -0.000 0.000 0.274 233 N C -0.352 175.047 175.510 -0.184 0.000 1.111 233 N CA 0.260 53.279 53.050 -0.052 0.000 0.974 233 N CB 0.941 39.431 38.487 0.005 0.000 1.089 233 N HN 0.759 nan 8.380 nan 0.000 0.465 234 I N -2.100 118.337 120.570 -0.223 0.000 3.195 234 I HA 0.566 4.736 4.170 -0.000 0.000 0.313 234 I C -1.365 174.704 176.117 -0.080 0.000 1.237 234 I CA -0.957 60.060 61.300 -0.472 0.000 0.963 234 I CB 2.797 40.342 38.000 -0.759 0.000 1.278 234 I HN 0.054 nan 8.210 nan 0.000 0.460 235 D N 2.255 122.715 120.400 0.100 0.000 2.646 235 D HA 0.742 5.382 4.640 -0.000 0.000 0.245 235 D C -1.107 175.268 176.300 0.125 0.000 1.099 235 D CA -0.242 53.837 54.000 0.132 0.000 0.849 235 D CB 2.452 43.357 40.800 0.176 0.000 1.448 235 D HN 0.922 nan 8.370 nan 0.000 0.489 236 A N 1.793 124.652 122.820 0.065 0.000 2.540 236 A HA 0.523 4.843 4.320 -0.000 0.000 0.297 236 A C -0.304 177.276 177.584 -0.007 0.000 1.056 236 A CA -0.520 51.543 52.037 0.043 0.000 0.700 236 A CB 0.882 19.907 19.000 0.043 0.000 1.280 236 A HN 0.556 nan 8.150 nan 0.000 0.398 237 I N 0.501 121.052 120.570 -0.032 0.000 4.338 237 I HA 0.121 4.290 4.170 -0.000 0.000 0.315 237 I C 1.184 177.279 176.117 -0.038 0.000 1.262 237 I CA 1.059 62.298 61.300 -0.102 0.000 1.298 237 I CB 0.767 38.624 38.000 -0.239 0.000 1.257 237 I HN 0.800 nan 8.210 nan 0.000 0.444 238 T N -1.447 113.123 114.554 0.027 0.000 2.762 238 T HA 0.397 4.747 4.350 -0.000 0.000 0.272 238 T C 0.282 175.029 174.700 0.077 0.000 0.982 238 T CA -0.502 61.632 62.100 0.057 0.000 1.013 238 T CB 1.131 70.061 68.868 0.103 0.000 1.309 238 T HN 0.125 nan 8.240 nan 0.000 0.572 239 S N 0.590 116.352 115.700 0.103 0.000 2.561 239 S HA 0.328 4.798 4.470 -0.000 0.000 0.294 239 S C -0.007 174.724 174.600 0.220 0.000 1.294 239 S CA -0.394 57.900 58.200 0.158 0.000 1.055 239 S CB -0.972 62.330 63.200 0.170 0.000 0.819 239 S HN 1.238 nan 8.310 nan 0.000 0.503 240 L N -0.424 120.890 121.223 0.153 0.000 2.403 240 L HA 0.957 5.297 4.340 -0.000 0.000 0.253 240 L C -0.557 176.329 176.870 0.026 0.000 1.045 240 L CA -0.876 53.952 54.840 -0.020 0.000 0.845 240 L CB 1.914 43.966 42.059 -0.012 0.000 1.447 240 L HN 0.868 nan 8.230 nan 0.000 0.411 241 S N 0.334 115.992 115.700 -0.070 0.000 2.599 241 S HA 0.845 5.314 4.470 -0.000 0.000 0.287 241 S C -0.921 173.698 174.600 0.032 0.000 1.105 241 S CA -0.686 57.544 58.200 0.049 0.000 0.899 241 S CB 1.707 64.991 63.200 0.140 0.000 1.100 241 S HN 0.713 nan 8.310 nan 0.000 0.482 242 I N 1.781 122.396 120.570 0.076 0.000 2.468 242 I HA 0.618 4.788 4.170 -0.000 0.000 0.285 242 I C 0.414 176.608 176.117 0.128 0.000 1.039 242 I CA -0.599 60.755 61.300 0.090 0.000 1.074 242 I CB 1.761 39.839 38.000 0.131 0.000 1.228 242 I HN 0.932 nan 8.210 nan 0.000 0.436 243 G N 3.088 111.935 108.800 0.078 0.000 2.714 243 G HA2 0.904 4.864 3.960 -0.000 0.000 0.292 243 G HA3 0.904 4.864 3.960 -0.000 0.000 0.292 243 G C -0.445 174.476 174.900 0.036 0.000 1.308 243 G CA -0.513 44.650 45.100 0.103 0.000 0.964 243 G HN 0.984 nan 8.290 nan 0.000 0.484 244 G N -1.242 107.605 108.800 0.077 0.000 2.316 244 G HA2 0.404 4.364 3.960 -0.000 0.000 0.349 244 G HA3 0.404 4.364 3.960 -0.000 0.000 0.349 244 G C -1.127 173.858 174.900 0.142 0.000 1.274 244 G CA 0.099 45.201 45.100 0.004 0.000 1.018 244 G HN 0.945 nan 8.290 nan 0.000 0.486 245 E N -1.433 118.804 120.200 0.062 0.000 2.388 245 E HA 0.610 4.960 4.350 -0.000 0.000 0.280 245 E C -1.371 175.293 176.600 0.107 0.000 1.019 245 E CA -0.820 55.702 56.400 0.202 0.000 0.806 245 E CB 1.784 31.559 29.700 0.125 0.000 1.246 245 E HN 0.593 nan 8.360 nan 0.000 0.443 246 L N 2.579 123.924 121.223 0.203 0.000 2.346 246 L HA 0.641 4.981 4.340 -0.000 0.000 0.274 246 L C -0.926 175.909 176.870 -0.059 0.000 1.007 246 L CA -1.153 53.688 54.840 0.001 0.000 0.818 246 L CB 2.004 44.089 42.059 0.043 0.000 1.284 246 L HN 0.333 nan 8.230 nan 0.000 0.424 247 V N 2.820 122.573 119.914 -0.267 0.000 2.448 247 V HA 0.447 4.566 4.120 -0.000 0.000 0.295 247 V C -0.721 175.091 176.094 -0.470 0.000 1.025 247 V CA -0.449 61.712 62.300 -0.232 0.000 0.859 247 V CB 1.577 33.270 31.823 -0.217 0.000 0.988 247 V HN 0.365 nan 8.190 nan 0.000 0.431 248 F N 3.406 123.193 119.950 -0.272 0.000 2.469 248 F HA 0.647 5.174 4.527 -0.000 0.000 0.332 248 F C 0.340 176.022 175.800 -0.197 0.000 1.103 248 F CA -0.503 57.344 58.000 -0.254 0.000 0.979 248 F CB 1.469 40.278 39.000 -0.318 0.000 1.137 248 F HN 0.440 nan 8.300 nan 0.000 0.463 249 H N 0.674 119.898 119.070 0.257 0.000 2.524 249 H HA 0.630 5.186 4.556 -0.000 0.000 0.353 249 H C -0.552 174.928 175.328 0.254 0.000 1.136 249 H CA -0.690 55.475 56.048 0.195 0.000 1.193 249 H CB 2.239 32.084 29.762 0.139 0.000 1.558 249 H HN 0.571 nan 8.280 nan 0.000 0.515 250 T N 0.286 115.023 114.554 0.304 0.000 2.885 250 T HA 0.241 4.591 4.350 -0.000 0.000 0.322 250 T C 0.371 175.124 174.700 0.088 0.000 1.387 250 T CA -0.377 61.861 62.100 0.231 0.000 1.041 250 T CB 1.211 70.233 68.868 0.256 0.000 1.287 250 T HN 0.484 nan 8.240 nan 0.000 0.491 251 S N 1.206 116.938 115.700 0.054 0.000 2.502 251 S HA 0.282 4.752 4.470 -0.000 0.000 0.215 251 S C 0.585 175.130 174.600 -0.091 0.000 1.009 251 S CA -0.074 58.113 58.200 -0.023 0.000 0.908 251 S CB 0.326 63.533 63.200 0.012 0.000 0.801 251 S HN 0.587 nan 8.310 nan 0.000 0.505 252 V N 3.361 123.259 119.914 -0.025 0.000 2.732 252 V HA 0.224 4.344 4.120 -0.000 0.000 0.297 252 V C 0.170 176.199 176.094 -0.107 0.000 1.060 252 V CA -0.408 61.893 62.300 0.001 0.000 1.038 252 V CB 0.652 32.526 31.823 0.085 0.000 1.003 252 V HN 0.442 nan 8.190 nan 0.000 0.481 253 H N 1.864 120.969 119.070 0.059 0.000 2.544 253 H HA 0.415 4.971 4.556 -0.000 0.000 0.342 253 H C 1.175 176.531 175.328 0.046 0.000 1.185 253 H CA 0.270 56.347 56.048 0.049 0.000 1.264 253 H CB 1.490 31.269 29.762 0.029 0.000 1.607 253 H HN 0.918 nan 8.280 nan 0.000 0.550 254 G N 1.216 110.112 108.800 0.161 0.000 2.153 254 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 254 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 254 G C 0.048 175.001 174.900 0.088 0.000 0.994 254 G CA 0.123 45.284 45.100 0.101 0.000 0.698 254 G HN 0.383 nan 8.290 nan 0.000 0.521 255 L N 0.030 121.310 121.223 0.095 0.000 2.357 255 L HA 0.745 5.085 4.340 -0.000 0.000 0.273 255 L C 0.611 177.509 176.870 0.046 0.000 1.080 255 L CA -0.198 54.707 54.840 0.109 0.000 0.803 255 L CB 1.718 43.881 42.059 0.174 0.000 1.174 255 L HN 0.366 nan 8.230 nan 0.000 0.443 256 A N 3.826 126.666 122.820 0.033 0.000 2.449 256 A HA 0.820 5.140 4.320 -0.000 0.000 0.302 256 A C -1.074 176.462 177.584 -0.079 0.000 1.048 256 A CA -0.532 51.483 52.037 -0.038 0.000 0.708 256 A CB 1.471 20.460 19.000 -0.017 0.000 1.274 256 A HN 0.607 nan 8.150 nan 0.000 0.410 257 L N 1.336 122.447 121.223 -0.187 0.000 2.334 257 L HA 0.591 4.931 4.340 -0.000 0.000 0.273 257 L C -1.054 175.703 176.870 -0.189 0.000 1.013 257 L CA -0.946 53.746 54.840 -0.247 0.000 0.816 257 L CB 2.061 43.800 42.059 -0.532 0.000 1.278 257 L HN 0.588 nan 8.230 nan 0.000 0.431 258 D N 1.645 121.957 120.400 -0.146 0.000 2.649 258 D HA 0.684 5.324 4.640 -0.000 0.000 0.249 258 D C -0.963 175.271 176.300 -0.111 0.000 1.112 258 D CA -0.137 53.795 54.000 -0.112 0.000 0.850 258 D CB 2.489 43.252 40.800 -0.063 0.000 1.399 258 D HN 0.592 nan 8.370 nan 0.000 0.503 259 A N 1.481 124.228 122.820 -0.121 0.000 2.422 259 A HA 0.754 5.074 4.320 -0.000 0.000 0.302 259 A C -0.640 176.880 177.584 -0.106 0.000 1.041 259 A CA -0.539 51.444 52.037 -0.091 0.000 0.708 259 A CB 1.635 20.574 19.000 -0.102 0.000 1.257 259 A HN 0.340 nan 8.150 nan 0.000 0.414 260 T N 2.820 117.333 114.554 -0.068 0.000 2.916 260 T HA 0.518 4.867 4.350 -0.000 0.000 0.298 260 T C -0.597 173.989 174.700 -0.188 0.000 1.031 260 T CA -0.351 61.645 62.100 -0.174 0.000 0.993 260 T CB 1.044 69.770 68.868 -0.236 0.000 1.045 260 T HN 0.481 nan 8.240 nan 0.000 0.454 261 I N 2.954 123.369 120.570 -0.259 0.000 2.392 261 I HA 0.429 4.599 4.170 -0.000 0.000 0.295 261 I C -0.949 174.941 176.117 -0.378 0.000 0.985 261 I CA -0.699 60.510 61.300 -0.152 0.000 1.221 261 I CB 1.269 39.272 38.000 0.005 0.000 1.366 261 I HN 0.665 nan 8.210 nan 0.000 0.467 262 Y N 5.563 125.840 120.300 -0.038 0.000 2.409 262 Y HA 0.510 5.060 4.550 -0.000 0.000 0.343 262 Y C -0.162 175.721 175.900 -0.028 0.000 0.973 262 Y CA -0.737 57.342 58.100 -0.035 0.000 1.064 262 Y CB 1.889 40.318 38.460 -0.051 0.000 1.207 262 Y HN 0.265 nan 8.280 nan 0.000 0.452 263 L N 5.237 126.525 121.223 0.108 0.000 2.298 263 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 263 L C -0.956 175.953 176.870 0.066 0.000 1.013 263 L CA -0.683 54.195 54.840 0.064 0.000 0.824 263 L CB 0.817 42.896 42.059 0.033 0.000 1.221 263 L HN 0.463 nan 8.230 nan 0.000 0.418 264 I N 2.195 122.795 120.570 0.050 0.000 2.428 264 I HA 0.446 4.616 4.170 -0.000 0.000 0.296 264 I C 0.919 177.053 176.117 0.028 0.000 0.985 264 I CA -0.285 61.034 61.300 0.033 0.000 1.260 264 I CB 1.444 39.450 38.000 0.011 0.000 1.389 264 I HN 0.521 nan 8.210 nan 0.000 0.484 265 G N 2.829 111.645 108.800 0.027 0.000 2.528 265 G HA2 0.239 4.199 3.960 -0.000 0.000 0.289 265 G HA3 0.239 4.199 3.960 -0.000 0.000 0.289 265 G C 0.378 175.329 174.900 0.084 0.000 1.192 265 G CA -0.355 44.776 45.100 0.052 0.000 0.921 265 G HN 0.559 nan 8.290 nan 0.000 0.512 266 F N 0.752 120.676 119.950 -0.043 0.000 2.192 266 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 266 F C 2.191 177.908 175.800 -0.138 0.000 1.079 266 F CA 2.048 59.958 58.000 -0.149 0.000 1.303 266 F CB 0.190 38.987 39.000 -0.339 0.000 1.024 266 F HN 0.447 nan 8.300 nan 0.000 0.494 267 D N -1.150 119.222 120.400 -0.046 0.000 2.328 267 D HA 0.160 4.800 4.640 -0.000 0.000 0.226 267 D C 1.830 178.096 176.300 -0.056 0.000 1.066 267 D CA 0.761 54.727 54.000 -0.057 0.000 0.861 267 D CB -0.465 40.464 40.800 0.216 0.000 0.912 267 D HN 0.416 nan 8.370 nan 0.000 0.521 268 G N -0.799 107.959 108.800 -0.071 0.000 2.225 268 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 268 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 268 G C 0.560 175.445 174.900 -0.023 0.000 0.988 268 G CA 0.375 45.440 45.100 -0.058 0.000 0.625 268 G HN 0.501 nan 8.290 nan 0.000 0.527 269 T N 1.858 116.418 114.554 0.010 0.000 2.899 269 T HA 0.493 4.843 4.350 -0.000 0.000 0.295 269 T C 0.681 175.395 174.700 0.024 0.000 1.033 269 T CA 0.842 62.956 62.100 0.023 0.000 1.084 269 T CB 0.891 69.793 68.868 0.056 0.000 0.979 269 T HN 0.206 nan 8.240 nan 0.000 0.532 270 T N 2.745 117.320 114.554 0.035 0.000 2.794 270 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 270 T C 1.300 176.034 174.700 0.057 0.000 0.949 270 T CA -0.538 61.602 62.100 0.068 0.000 1.101 270 T CB 0.909 69.847 68.868 0.115 0.000 0.905 270 T HN 0.347 nan 8.240 nan 0.000 0.516 271 V N 3.836 123.778 119.914 0.047 0.000 2.795 271 V HA 0.348 4.468 4.120 -0.000 0.000 0.243 271 V C 0.503 176.610 176.094 0.023 0.000 1.069 271 V CA 0.710 63.021 62.300 0.018 0.000 1.089 271 V CB 0.033 31.850 31.823 -0.010 0.000 0.756 271 V HN 0.714 nan 8.190 nan 0.000 0.471 272 I N -0.116 120.473 120.570 0.032 0.000 2.752 272 I HA 0.457 4.627 4.170 -0.000 0.000 0.295 272 I C -0.671 175.429 176.117 -0.029 0.000 1.219 272 I CA -0.086 61.217 61.300 0.005 0.000 1.030 272 I CB 2.615 40.613 38.000 -0.003 0.000 1.259 272 I HN 0.157 nan 8.210 nan 0.000 0.423 273 T N 2.450 116.951 114.554 -0.089 0.000 2.886 273 T HA 0.723 5.073 4.350 -0.000 0.000 0.292 273 T C -0.735 173.838 174.700 -0.211 0.000 1.012 273 T CA -0.949 60.996 62.100 -0.259 0.000 0.982 273 T CB 1.955 70.653 68.868 -0.282 0.000 1.018 273 T HN 0.357 nan 8.240 nan 0.000 0.451 274 R N 1.459 121.804 120.500 -0.258 0.000 2.574 274 R HA 0.742 5.082 4.340 -0.000 0.000 0.288 274 R C -0.491 175.690 176.300 -0.199 0.000 1.004 274 R CA -0.707 55.290 56.100 -0.171 0.000 0.895 274 R CB 2.047 32.285 30.300 -0.104 0.000 1.191 274 R HN 0.991 nan 8.270 nan 0.000 0.444 275 A N 1.980 124.703 122.820 -0.161 0.000 2.401 275 A HA 0.372 4.692 4.320 -0.000 0.000 0.259 275 A C 0.720 178.192 177.584 -0.185 0.000 1.103 275 A CA -0.275 51.665 52.037 -0.161 0.000 0.789 275 A CB 0.690 19.615 19.000 -0.124 0.000 1.035 275 A HN 0.483 nan 8.150 nan 0.000 0.491 276 V N 1.190 120.964 119.914 -0.233 0.000 3.484 276 V HA 0.429 4.549 4.120 -0.000 0.000 0.252 276 V C 0.878 176.778 176.094 -0.324 0.000 1.282 276 V CA 1.353 63.436 62.300 -0.362 0.000 1.104 276 V CB 0.346 31.814 31.823 -0.591 0.000 0.868 276 V HN 1.148 nan 8.190 nan 0.000 0.457 277 A N -0.627 122.049 122.820 -0.240 0.000 2.459 277 A HA 0.768 5.088 4.320 -0.000 0.000 0.296 277 A C -0.682 176.810 177.584 -0.154 0.000 1.039 277 A CA -0.231 51.684 52.037 -0.203 0.000 0.698 277 A CB 1.974 20.835 19.000 -0.231 0.000 1.261 277 A HN 0.044 nan 8.150 nan 0.000 0.405 278 S N 1.858 117.482 115.700 -0.128 0.000 2.774 278 S HA 0.500 4.970 4.470 -0.000 0.000 0.297 278 S C -0.456 174.094 174.600 -0.084 0.000 1.143 278 S CA 0.120 58.263 58.200 -0.095 0.000 1.090 278 S CB 0.463 63.616 63.200 -0.079 0.000 1.019 278 S HN 1.232 nan 8.310 nan 0.000 0.482 279 D N 2.936 123.289 120.400 -0.079 0.000 2.723 279 D HA -0.200 4.440 4.640 -0.000 0.000 0.236 279 D C -0.484 175.768 176.300 -0.080 0.000 1.138 279 D CA 0.739 54.700 54.000 -0.064 0.000 0.676 279 D CB -1.217 39.558 40.800 -0.042 0.000 1.069 279 D HN 0.544 nan 8.370 nan 0.000 0.430 280 N N 0.137 118.766 118.700 -0.119 0.000 2.402 280 N HA 0.416 5.156 4.740 -0.000 0.000 0.252 280 N C 0.280 175.709 175.510 -0.134 0.000 1.118 280 N CA 0.529 53.499 53.050 -0.133 0.000 0.945 280 N CB 0.652 39.028 38.487 -0.185 0.000 1.147 280 N HN 0.308 nan 8.380 nan 0.000 0.495 281 G N 3.104 111.854 108.800 -0.083 0.000 2.442 281 G HA2 0.383 4.343 3.960 -0.000 0.000 0.249 281 G HA3 0.383 4.343 3.960 -0.000 0.000 0.249 281 G C -0.122 174.740 174.900 -0.065 0.000 1.263 281 G CA -0.477 44.588 45.100 -0.059 0.000 0.846 281 G HN 0.624 nan 8.290 nan 0.000 0.555 282 L N 1.977 123.168 121.223 -0.053 0.000 2.264 282 L HA 0.320 4.660 4.340 -0.000 0.000 0.289 282 L C 0.490 177.364 176.870 0.007 0.000 1.044 282 L CA -0.586 54.232 54.840 -0.035 0.000 0.807 282 L CB 1.436 43.474 42.059 -0.035 0.000 1.192 282 L HN 0.354 nan 8.230 nan 0.000 0.425 283 T N 1.311 115.877 114.554 0.019 0.000 2.882 283 T HA 0.175 4.525 4.350 -0.000 0.000 0.287 283 T C 0.400 175.113 174.700 0.020 0.000 0.992 283 T CA -0.252 61.864 62.100 0.026 0.000 1.076 283 T CB 1.388 70.277 68.868 0.035 0.000 0.961 283 T HN 0.510 nan 8.240 nan 0.000 0.490 284 T N 2.020 116.556 114.554 -0.029 0.000 2.898 284 T HA 0.413 4.763 4.350 -0.000 0.000 0.301 284 T C 1.378 176.078 174.700 0.000 0.000 1.049 284 T CA 0.977 63.038 62.100 -0.066 0.000 1.095 284 T CB 0.277 68.987 68.868 -0.264 0.000 0.976 284 T HN 0.969 nan 8.240 nan 0.000 0.539 285 G N 2.292 111.095 108.800 0.005 0.000 2.258 285 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.274 285 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.274 285 G C 0.120 175.035 174.900 0.025 0.000 1.021 285 G CA 1.026 46.127 45.100 0.002 0.000 0.798 285 G HN 1.011 nan 8.290 nan 0.000 0.507 286 I N -4.927 115.693 120.570 0.083 0.000 3.279 286 I HA 0.691 4.861 4.170 -0.000 0.000 0.315 286 I C -1.267 175.000 176.117 0.249 0.000 1.187 286 I CA -1.544 59.825 61.300 0.116 0.000 0.953 286 I CB 1.877 39.928 38.000 0.084 0.000 1.279 286 I HN -0.180 nan 8.210 nan 0.000 0.465 287 D N 3.227 123.759 120.400 0.220 0.000 2.339 287 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 287 D C -0.873 175.490 176.300 0.106 0.000 1.183 287 D CA 0.040 54.167 54.000 0.211 0.000 0.859 287 D CB 0.692 41.585 40.800 0.155 0.000 1.067 287 D HN 0.406 nan 8.370 nan 0.000 0.484 288 N N 3.096 121.847 118.700 0.086 0.000 2.426 288 N HA 0.210 4.950 4.740 -0.000 0.000 0.257 288 N C -0.101 175.460 175.510 0.085 0.000 1.002 288 N CA -0.308 52.786 53.050 0.073 0.000 0.942 288 N CB 1.719 40.247 38.487 0.068 0.000 1.112 288 N HN 0.266 nan 8.380 nan 0.000 0.499 289 L N 2.150 123.408 121.223 0.058 0.000 2.292 289 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 289 L C 0.491 177.400 176.870 0.064 0.000 1.065 289 L CA -0.296 54.582 54.840 0.064 0.000 0.806 289 L CB 0.955 43.039 42.059 0.043 0.000 1.175 289 L HN 0.370 nan 8.230 nan 0.000 0.431 290 M N 7.078 126.748 119.600 0.117 0.000 2.016 290 M HA 0.408 4.888 4.480 -0.000 0.000 0.315 290 M C -2.570 173.794 176.300 0.106 0.000 0.930 290 M CA -1.595 53.752 55.300 0.078 0.000 0.899 290 M CB 1.465 34.177 32.600 0.187 0.000 1.401 290 M HN 0.197 nan 8.290 nan 0.000 0.386 291 P HA 0.305 nan 4.420 nan 0.000 0.276 291 P C -1.353 175.947 177.300 0.000 0.000 1.252 291 P CA -0.063 63.106 63.100 0.116 0.000 0.802 291 P CB 0.784 32.517 31.700 0.055 0.000 1.035 292 F N 0.588 120.546 119.950 0.013 0.000 2.493 292 F HA 0.375 4.902 4.527 -0.000 0.000 0.329 292 F C 0.844 176.651 175.800 0.012 0.000 1.126 292 F CA -0.323 57.685 58.000 0.013 0.000 0.937 292 F CB 1.420 40.434 39.000 0.024 0.000 1.146 292 F HN 0.161 nan 8.300 nan 0.000 0.442 293 N N 5.009 123.766 118.700 0.095 0.000 2.646 293 N HA 0.257 4.997 4.740 -0.000 0.000 0.303 293 N C -1.277 174.268 175.510 0.058 0.000 1.921 293 N CA -0.042 53.051 53.050 0.072 0.000 0.872 293 N CB 1.097 39.601 38.487 0.028 0.000 1.327 293 N HN 0.422 nan 8.380 nan 0.000 0.492 294 L N 0.442 121.720 121.223 0.092 0.000 2.307 294 L HA 0.616 4.956 4.340 -0.000 0.000 0.282 294 L C 0.076 176.990 176.870 0.074 0.000 1.051 294 L CA -0.894 53.987 54.840 0.068 0.000 0.804 294 L CB 1.731 43.837 42.059 0.078 0.000 1.197 294 L HN -0.242 nan 8.230 nan 0.000 0.431 295 V N 4.228 124.177 119.914 0.059 0.000 2.443 295 V HA 0.357 4.477 4.120 -0.000 0.000 0.293 295 V C -0.398 175.731 176.094 0.059 0.000 1.021 295 V CA -0.305 62.041 62.300 0.077 0.000 0.848 295 V CB 1.995 33.860 31.823 0.070 0.000 0.998 295 V HN 0.446 nan 8.190 nan 0.000 0.424 296 I N 8.842 129.454 120.570 0.070 0.000 2.306 296 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 296 I C -2.004 174.149 176.117 0.060 0.000 1.036 296 I CA -2.185 59.145 61.300 0.051 0.000 1.221 296 I CB 1.578 39.603 38.000 0.041 0.000 1.385 296 I HN 0.413 nan 8.210 nan 0.000 0.472 297 P HA 0.124 nan 4.420 nan 0.000 0.275 297 P C 0.612 177.932 177.300 0.032 0.000 1.228 297 P CA -0.187 62.935 63.100 0.037 0.000 0.786 297 P CB 0.871 32.583 31.700 0.021 0.000 0.927 298 T N 1.131 115.705 114.554 0.033 0.000 2.699 298 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 298 T C 1.615 176.325 174.700 0.016 0.000 1.036 298 T CA 2.021 64.137 62.100 0.027 0.000 1.147 298 T CB -0.879 68.006 68.868 0.029 0.000 0.862 298 T HN 0.639 nan 8.240 nan 0.000 0.446 299 N N 1.297 120.007 118.700 0.015 0.000 2.519 299 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 299 N C 1.542 177.060 175.510 0.013 0.000 1.062 299 N CA 1.078 54.137 53.050 0.014 0.000 0.910 299 N CB -0.170 38.325 38.487 0.014 0.000 0.958 299 N HN 0.536 nan 8.380 nan 0.000 0.445 300 E N 0.182 120.389 120.200 0.012 0.000 2.385 300 E HA 0.174 4.524 4.350 -0.000 0.000 0.194 300 E C 0.029 176.631 176.600 0.002 0.000 1.013 300 E CA -0.155 56.251 56.400 0.009 0.000 0.866 300 E CB 0.225 29.930 29.700 0.009 0.000 0.832 300 E HN 0.342 nan 8.360 nan 0.000 0.500 301 I N 1.984 122.552 120.570 -0.003 0.000 2.308 301 I HA 0.002 4.172 4.170 -0.000 0.000 0.293 301 I C 1.313 177.407 176.117 -0.038 0.000 1.078 301 I CA -0.048 61.239 61.300 -0.021 0.000 1.292 301 I CB 1.404 39.392 38.000 -0.021 0.000 1.423 301 I HN 0.076 nan 8.210 nan 0.000 0.493 302 T N 1.864 116.384 114.554 -0.057 0.000 3.067 302 T HA 0.054 4.404 4.350 -0.000 0.000 0.257 302 T C 0.453 175.011 174.700 -0.236 0.000 1.105 302 T CA 0.144 62.207 62.100 -0.063 0.000 1.104 302 T CB 0.024 68.890 68.868 -0.003 0.000 0.925 302 T HN 0.690 nan 8.240 nan 0.000 0.498 303 Q N -0.192 119.398 119.800 -0.350 0.000 2.472 303 Q HA 0.553 4.893 4.340 -0.000 0.000 0.281 303 Q C -3.447 172.411 176.000 -0.237 0.000 0.997 303 Q CA -2.434 53.011 55.803 -0.598 0.000 0.828 303 Q CB 0.994 28.950 28.738 -1.304 0.000 1.443 303 Q HN -0.112 nan 8.270 nan 0.000 0.390 304 P HA -0.009 nan 4.420 nan 0.000 0.263 304 P C -0.830 176.484 177.300 0.023 0.000 1.175 304 P CA 0.597 63.700 63.100 0.005 0.000 0.761 304 P CB 0.346 32.128 31.700 0.136 0.000 0.794 305 I N 2.755 123.337 120.570 0.019 0.000 2.365 305 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 305 I C 1.376 177.526 176.117 0.055 0.000 1.004 305 I CA 0.158 61.476 61.300 0.030 0.000 1.311 305 I CB 1.311 39.320 38.000 0.015 0.000 1.401 305 I HN 0.419 nan 8.210 nan 0.000 0.491 306 T N -0.084 114.510 114.554 0.066 0.000 3.043 306 T HA 0.240 4.590 4.350 -0.000 0.000 0.272 306 T C 0.253 174.970 174.700 0.029 0.000 0.990 306 T CA -0.103 62.041 62.100 0.075 0.000 0.897 306 T CB 0.114 69.072 68.868 0.150 0.000 1.111 306 T HN 0.621 nan 8.240 nan 0.000 0.529 307 S N 0.364 116.071 115.700 0.011 0.000 2.587 307 S HA 0.710 5.180 4.470 -0.000 0.000 0.269 307 S C -1.611 172.993 174.600 0.006 0.000 1.154 307 S CA -1.058 57.138 58.200 -0.006 0.000 0.824 307 S CB 1.712 64.912 63.200 0.001 0.000 1.118 307 S HN 0.506 nan 8.310 nan 0.000 0.462 308 I N 1.306 121.888 120.570 0.019 0.000 2.582 308 I HA 0.715 4.885 4.170 -0.000 0.000 0.292 308 I C -1.504 174.629 176.117 0.027 0.000 1.066 308 I CA -0.664 60.666 61.300 0.049 0.000 1.053 308 I CB 1.839 39.885 38.000 0.076 0.000 1.241 308 I HN 1.052 nan 8.210 nan 0.000 0.421 309 K N 6.414 126.782 120.400 -0.052 0.000 2.477 309 K HA 0.627 4.947 4.320 -0.000 0.000 0.255 309 K C -2.239 174.176 176.600 -0.308 0.000 0.952 309 K CA -0.928 55.193 56.287 -0.278 0.000 0.826 309 K CB 2.531 34.938 32.500 -0.156 0.000 1.331 309 K HN 0.477 nan 8.250 nan 0.000 0.437 310 L N 1.198 122.031 121.223 -0.650 0.000 2.333 310 L HA 0.457 4.797 4.340 -0.000 0.000 0.280 310 L C -1.164 175.627 176.870 -0.132 0.000 1.004 310 L CA -0.047 54.593 54.840 -0.332 0.000 0.820 310 L CB 1.814 43.630 42.059 -0.405 0.000 1.247 310 L HN 0.828 nan 8.230 nan 0.000 0.416 311 E N 5.023 125.251 120.200 0.047 0.000 2.171 311 E HA 0.573 4.923 4.350 -0.000 0.000 0.271 311 E C -1.254 175.382 176.600 0.060 0.000 0.916 311 E CA -0.511 55.934 56.400 0.075 0.000 0.774 311 E CB 1.944 31.754 29.700 0.183 0.000 1.128 311 E HN 0.540 nan 8.360 nan 0.000 0.403 312 I N 3.010 123.612 120.570 0.053 0.000 2.466 312 I HA 0.298 4.467 4.170 -0.000 0.000 0.289 312 I C -0.820 175.306 176.117 0.014 0.000 1.026 312 I CA -0.997 60.322 61.300 0.031 0.000 1.078 312 I CB 1.988 40.035 38.000 0.079 0.000 1.249 312 I HN 0.183 nan 8.210 nan 0.000 0.429 313 V N 4.939 124.846 119.914 -0.012 0.000 2.347 313 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 313 V C 0.100 176.194 176.094 0.001 0.000 1.021 313 V CA -0.329 61.972 62.300 0.001 0.000 0.847 313 V CB 1.670 33.495 31.823 0.004 0.000 0.990 313 V HN 0.724 nan 8.190 nan 0.000 0.444 314 T N 4.350 118.931 114.554 0.045 0.000 2.795 314 T HA 0.633 4.983 4.350 -0.000 0.000 0.282 314 T C -0.045 174.747 174.700 0.154 0.000 0.980 314 T CA -0.429 61.750 62.100 0.133 0.000 1.012 314 T CB 1.211 70.241 68.868 0.270 0.000 0.936 314 T HN 0.839 nan 8.240 nan 0.000 0.457 315 S N 2.236 118.024 115.700 0.147 0.000 2.588 315 S HA 0.677 5.147 4.470 -0.000 0.000 0.275 315 S C -1.029 173.688 174.600 0.196 0.000 1.130 315 S CA -1.206 57.096 58.200 0.170 0.000 0.855 315 S CB 2.165 65.433 63.200 0.112 0.000 1.116 315 S HN 0.626 nan 8.310 nan 0.000 0.472 316 K N 1.601 122.164 120.400 0.272 0.000 2.646 316 K HA 0.363 4.683 4.320 -0.000 0.000 0.210 316 K C 1.165 177.856 176.600 0.152 0.000 1.020 316 K CA -0.156 56.240 56.287 0.182 0.000 1.040 316 K CB 0.509 33.091 32.500 0.138 0.000 1.253 316 K HN 0.795 nan 8.250 nan 0.000 0.532 317 S N 2.157 117.925 115.700 0.113 0.000 2.429 317 S HA -0.248 4.222 4.470 -0.000 0.000 0.263 317 S C 1.272 175.900 174.600 0.047 0.000 1.084 317 S CA 1.452 59.705 58.200 0.087 0.000 1.284 317 S CB -1.029 62.201 63.200 0.049 0.000 1.192 317 S HN 0.636 nan 8.310 nan 0.000 0.436 318 G N 2.184 110.976 108.800 -0.013 0.000 3.209 318 G HA2 0.547 4.507 3.960 -0.000 0.000 0.274 318 G HA3 0.547 4.507 3.960 -0.000 0.000 0.274 318 G C 0.016 174.804 174.900 -0.187 0.000 0.850 318 G CA -0.102 44.959 45.100 -0.064 0.000 1.907 318 G HN 0.801 nan 8.290 nan 0.000 0.591 319 G N 0.039 108.593 108.800 -0.410 0.000 2.600 319 G HA2 0.693 4.653 3.960 -0.000 0.000 0.303 319 G HA3 0.693 4.653 3.960 -0.000 0.000 0.303 319 G C -0.861 173.508 174.900 -0.885 0.000 1.253 319 G CA -0.644 43.955 45.100 -0.834 0.000 0.974 319 G HN 0.454 nan 8.290 nan 0.000 0.483 320 Q N -0.830 118.591 119.800 -0.631 0.000 2.416 320 Q HA 0.597 4.937 4.340 -0.000 0.000 0.281 320 Q C -0.197 175.809 176.000 0.009 0.000 1.067 320 Q CA -0.979 54.710 55.803 -0.190 0.000 0.809 320 Q CB 2.644 31.330 28.738 -0.087 0.000 1.418 320 Q HN 0.911 nan 8.270 nan 0.000 0.411 321 A N 0.357 123.277 122.820 0.166 0.000 2.609 321 A HA 0.310 4.630 4.320 -0.000 0.000 0.232 321 A C 1.251 178.887 177.584 0.086 0.000 1.041 321 A CA 1.492 53.630 52.037 0.168 0.000 0.753 321 A CB -0.780 18.285 19.000 0.108 0.000 0.966 321 A HN 1.166 nan 8.150 nan 0.000 0.510 322 G N 1.198 110.048 108.800 0.084 0.000 2.299 322 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.237 322 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.237 322 G C 0.100 175.022 174.900 0.038 0.000 1.027 322 G CA 0.399 45.525 45.100 0.044 0.000 0.619 322 G HN 0.902 nan 8.290 nan 0.000 0.513 323 D N 1.381 121.805 120.400 0.041 0.000 2.417 323 D HA 0.429 5.069 4.640 -0.000 0.000 0.250 323 D C 0.581 176.922 176.300 0.069 0.000 1.166 323 D CA 0.508 54.520 54.000 0.019 0.000 0.881 323 D CB 1.222 41.979 40.800 -0.072 0.000 1.164 323 D HN 0.522 nan 8.370 nan 0.000 0.467 324 Q N 2.412 122.237 119.800 0.042 0.000 2.256 324 Q HA 0.429 4.769 4.340 -0.000 0.000 0.257 324 Q C -0.916 175.112 176.000 0.047 0.000 0.936 324 Q CA -0.459 55.361 55.803 0.029 0.000 0.903 324 Q CB 1.095 29.826 28.738 -0.013 0.000 1.263 324 Q HN 0.365 nan 8.270 nan 0.000 0.440 325 M N 2.643 122.274 119.600 0.052 0.000 2.205 325 M HA 0.536 5.016 4.480 -0.000 0.000 0.344 325 M C -0.918 175.381 176.300 -0.001 0.000 1.085 325 M CA -0.517 54.852 55.300 0.115 0.000 1.001 325 M CB 1.913 34.661 32.600 0.248 0.000 1.626 325 M HN 0.785 nan 8.290 nan 0.000 0.442 326 S N 2.619 118.354 115.700 0.059 0.000 2.565 326 S HA 0.867 5.337 4.470 -0.000 0.000 0.269 326 S C -1.880 172.827 174.600 0.179 0.000 1.153 326 S CA -0.902 57.250 58.200 -0.079 0.000 0.835 326 S CB 1.973 65.080 63.200 -0.154 0.000 1.122 326 S HN 0.978 nan 8.310 nan 0.000 0.462 327 W N -0.010 121.461 121.300 0.285 0.000 3.057 327 W HA 0.659 5.319 4.660 -0.000 0.000 0.328 327 W C -1.398 175.273 176.519 0.253 0.000 1.232 327 W CA -0.521 56.990 57.345 0.277 0.000 1.187 327 W CB 0.655 30.324 29.460 0.348 0.000 1.417 327 W HN 1.152 nan 8.180 nan 0.000 0.569 328 S N 1.220 117.341 115.700 0.702 0.000 2.536 328 S HA 0.923 5.393 4.470 -0.000 0.000 0.298 328 S C -0.835 174.014 174.600 0.416 0.000 1.083 328 S CA -0.345 58.152 58.200 0.495 0.000 0.995 328 S CB 2.210 65.577 63.200 0.278 0.000 1.058 328 S HN 1.325 nan 8.310 nan 0.000 0.488 329 A N 1.432 124.411 122.820 0.265 0.000 2.515 329 A HA 0.923 5.243 4.320 -0.000 0.000 0.296 329 A C -0.550 176.977 177.584 -0.094 0.000 1.094 329 A CA -0.784 51.143 52.037 -0.185 0.000 0.718 329 A CB 1.787 20.437 19.000 -0.583 0.000 1.307 329 A HN 0.923 nan 8.150 nan 0.000 0.408 330 S N -1.173 114.388 115.700 -0.232 0.000 2.541 330 S HA 0.915 5.385 4.470 -0.000 0.000 0.271 330 S C -0.347 174.154 174.600 -0.165 0.000 1.133 330 S CA 0.050 58.175 58.200 -0.125 0.000 0.876 330 S CB 2.079 65.234 63.200 -0.075 0.000 1.105 330 S HN 2.292 nan 8.310 nan 0.000 0.470 331 G N 0.949 109.679 108.800 -0.116 0.000 2.358 331 G HA2 0.466 4.426 3.960 -0.000 0.000 0.303 331 G HA3 0.466 4.426 3.960 -0.000 0.000 0.303 331 G C -1.661 173.158 174.900 -0.136 0.000 1.537 331 G CA -0.574 44.455 45.100 -0.119 0.000 0.928 331 G HN 0.679 nan 8.290 nan 0.000 0.656 332 S N -0.725 114.887 115.700 -0.147 0.000 2.548 332 S HA 0.852 5.322 4.470 -0.000 0.000 0.286 332 S C -0.395 174.066 174.600 -0.232 0.000 1.098 332 S CA -0.687 57.404 58.200 -0.182 0.000 0.930 332 S CB 1.560 64.684 63.200 -0.128 0.000 1.070 332 S HN 0.650 nan 8.310 nan 0.000 0.480 333 L N 1.323 122.382 121.223 -0.274 0.000 2.323 333 L HA 0.927 5.267 4.340 -0.000 0.000 0.265 333 L C -0.463 176.309 176.870 -0.163 0.000 1.012 333 L CA -1.089 53.577 54.840 -0.290 0.000 0.820 333 L CB 1.839 43.656 42.059 -0.403 0.000 1.334 333 L HN 0.723 nan 8.230 nan 0.000 0.427 334 A N 1.522 124.281 122.820 -0.103 0.000 2.335 334 A HA 0.712 5.032 4.320 -0.000 0.000 0.304 334 A C -0.963 176.616 177.584 -0.008 0.000 1.118 334 A CA -0.454 51.558 52.037 -0.042 0.000 0.757 334 A CB 1.427 20.410 19.000 -0.029 0.000 1.188 334 A HN 0.351 nan 8.150 nan 0.000 0.460 335 V N 2.905 122.843 119.914 0.039 0.000 2.333 335 V HA 0.413 4.532 4.120 -0.000 0.000 0.274 335 V C 0.116 176.249 176.094 0.066 0.000 1.028 335 V CA -0.162 62.179 62.300 0.069 0.000 0.851 335 V CB 1.255 33.147 31.823 0.114 0.000 1.000 335 V HN 0.866 nan 8.190 nan 0.000 0.456 336 T N 6.658 121.191 114.554 -0.035 0.000 2.756 336 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 336 T C -0.110 174.431 174.700 -0.264 0.000 0.985 336 T CA -0.288 61.729 62.100 -0.139 0.000 0.955 336 T CB 0.537 69.291 68.868 -0.189 0.000 0.930 336 T HN 0.313 nan 8.240 nan 0.000 0.451 337 I N 4.395 124.876 120.570 -0.148 0.000 2.291 337 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 337 I C 0.751 176.795 176.117 -0.122 0.000 1.050 337 I CA -0.943 60.290 61.300 -0.111 0.000 1.245 337 I CB -0.328 37.690 38.000 0.030 0.000 1.405 337 I HN 0.563 nan 8.210 nan 0.000 0.478 338 H N 5.266 124.358 119.070 0.037 0.000 3.157 338 H HA 0.039 4.595 4.556 -0.000 0.000 0.299 338 H C 1.497 176.835 175.328 0.016 0.000 0.961 338 H CA 1.084 57.145 56.048 0.023 0.000 1.428 338 H CB 0.391 30.163 29.762 0.018 0.000 1.459 338 H HN 0.944 nan 8.280 nan 0.000 0.566 339 G N 2.833 111.707 108.800 0.124 0.000 2.180 339 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 339 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 339 G C 1.553 176.498 174.900 0.076 0.000 0.989 339 G CA 0.793 45.938 45.100 0.074 0.000 0.692 339 G HN 0.865 nan 8.290 nan 0.000 0.526 340 G N 0.062 108.896 108.800 0.057 0.000 2.448 340 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.219 340 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.219 340 G C 1.304 176.229 174.900 0.042 0.000 1.127 340 G CA 1.264 46.393 45.100 0.047 0.000 0.766 340 G HN 0.513 nan 8.290 nan 0.000 0.552 341 N N -0.830 117.889 118.700 0.032 0.000 2.336 341 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 341 N C -0.310 175.229 175.510 0.048 0.000 1.113 341 N CA -0.471 52.584 53.050 0.009 0.000 0.858 341 N CB -0.063 38.406 38.487 -0.031 0.000 0.970 341 N HN 0.435 nan 8.380 nan 0.000 0.471 342 Y N 2.608 122.884 120.300 -0.040 0.000 2.569 342 Y HA 0.154 4.704 4.550 -0.000 0.000 0.332 342 Y C -2.101 173.766 175.900 -0.056 0.000 1.120 342 Y CA -1.936 56.136 58.100 -0.048 0.000 1.416 342 Y CB 0.537 38.963 38.460 -0.058 0.000 1.210 342 Y HN -0.012 nan 8.280 nan 0.000 0.528 343 P HA 0.054 nan 4.420 nan 0.000 0.260 343 P C 0.454 177.674 177.300 -0.134 0.000 1.185 343 P CA 2.156 65.078 63.100 -0.296 0.000 0.763 343 P CB 0.317 31.781 31.700 -0.394 0.000 0.776 344 G N 3.275 112.083 108.800 0.012 0.000 2.259 344 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 344 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 344 G C 1.149 176.154 174.900 0.175 0.000 1.001 344 G CA 0.300 45.464 45.100 0.108 0.000 0.627 344 G HN 0.616 nan 8.290 nan 0.000 0.501 345 A N -0.313 122.600 122.820 0.154 0.000 1.929 345 A HA 0.586 4.906 4.320 -0.000 0.000 0.216 345 A C 2.227 179.916 177.584 0.175 0.000 1.176 345 A CA 1.919 54.020 52.037 0.106 0.000 0.628 345 A CB -0.167 18.874 19.000 0.068 0.000 0.816 345 A HN 0.822 nan 8.150 nan 0.000 0.444 346 L N -2.240 119.069 121.223 0.142 0.000 2.806 346 L HA 0.211 4.550 4.340 -0.000 0.000 0.242 346 L C 0.679 177.658 176.870 0.181 0.000 1.068 346 L CA -0.064 54.856 54.840 0.134 0.000 0.923 346 L CB 0.330 42.450 42.059 0.101 0.000 1.364 346 L HN 0.442 nan 8.230 nan 0.000 0.511 347 R N 0.614 121.185 120.500 0.119 0.000 2.807 347 R HA 0.595 4.935 4.340 -0.000 0.000 0.276 347 R C -2.940 173.397 176.300 0.061 0.000 0.979 347 R CA -1.726 54.416 56.100 0.069 0.000 0.928 347 R CB 1.437 31.715 30.300 -0.038 0.000 1.191 347 R HN -0.280 nan 8.270 nan 0.000 0.471 348 P HA 0.264 nan 4.420 nan 0.000 0.297 348 P C -0.873 176.507 177.300 0.133 0.000 1.307 348 P CA -0.608 62.502 63.100 0.017 0.000 0.773 348 P CB 1.083 32.766 31.700 -0.028 0.000 1.265 349 V N -0.580 119.420 119.914 0.142 0.000 2.709 349 V HA 0.369 4.489 4.120 -0.000 0.000 0.308 349 V C -0.162 175.999 176.094 0.112 0.000 1.062 349 V CA -0.292 62.099 62.300 0.151 0.000 0.901 349 V CB 2.136 34.076 31.823 0.196 0.000 1.003 349 V HN 0.535 nan 8.190 nan 0.000 0.425 350 T N 6.113 120.708 114.554 0.068 0.000 2.786 350 T HA 0.657 5.007 4.350 -0.000 0.000 0.283 350 T C -0.548 174.193 174.700 0.069 0.000 0.992 350 T CA -0.252 61.898 62.100 0.083 0.000 0.954 350 T CB 0.722 69.647 68.868 0.094 0.000 0.934 350 T HN 0.355 nan 8.240 nan 0.000 0.440 351 L N 3.289 124.529 121.223 0.029 0.000 2.307 351 L HA 0.709 5.049 4.340 -0.000 0.000 0.284 351 L C -0.509 176.383 176.870 0.036 0.000 1.023 351 L CA -1.097 53.732 54.840 -0.019 0.000 0.810 351 L CB 1.642 43.654 42.059 -0.078 0.000 1.231 351 L HN 0.295 nan 8.230 nan 0.000 0.423 352 V N 2.729 122.683 119.914 0.066 0.000 2.349 352 V HA 0.627 4.747 4.120 -0.000 0.000 0.284 352 V C 0.145 176.330 176.094 0.152 0.000 1.014 352 V CA -0.429 61.950 62.300 0.131 0.000 0.826 352 V CB 1.413 33.373 31.823 0.228 0.000 1.009 352 V HN 0.857 nan 8.190 nan 0.000 0.431 353 A N 5.535 128.433 122.820 0.129 0.000 2.324 353 A HA 0.946 5.266 4.320 -0.000 0.000 0.330 353 A C -0.986 176.821 177.584 0.372 0.000 1.165 353 A CA -0.476 51.666 52.037 0.175 0.000 0.813 353 A CB 0.998 20.078 19.000 0.134 0.000 1.197 353 A HN 1.032 nan 8.150 nan 0.000 0.484 354 Y N -0.318 120.190 120.300 0.348 0.000 2.512 354 Y HA 0.774 5.324 4.550 -0.000 0.000 0.348 354 Y C -0.469 175.501 175.900 0.118 0.000 0.990 354 Y CA -1.052 57.220 58.100 0.287 0.000 1.033 354 Y CB 1.329 39.894 38.460 0.174 0.000 1.259 354 Y HN 0.849 nan 8.280 nan 0.000 0.461 355 E N 1.105 121.306 120.200 0.001 0.000 2.413 355 E HA 0.602 4.952 4.350 -0.000 0.000 0.277 355 E C -0.726 175.825 176.600 -0.081 0.000 0.958 355 E CA -1.386 54.906 56.400 -0.180 0.000 0.779 355 E CB 1.577 30.955 29.700 -0.538 0.000 1.278 355 E HN 0.573 nan 8.360 nan 0.000 0.456 356 R N -0.954 119.512 120.500 -0.057 0.000 3.878 356 R HA -0.099 4.241 4.340 -0.000 0.000 0.330 356 R C -0.654 175.665 176.300 0.032 0.000 1.186 356 R CA 0.691 56.777 56.100 -0.025 0.000 0.885 356 R CB -2.911 27.359 30.300 -0.050 0.000 1.377 356 R HN 0.457 nan 8.270 nan 0.000 0.523 357 V N 1.142 121.111 119.914 0.093 0.000 2.509 357 V HA 0.545 4.665 4.120 -0.000 0.000 0.284 357 V C 1.356 177.487 176.094 0.063 0.000 1.047 357 V CA -0.306 62.046 62.300 0.087 0.000 0.952 357 V CB 1.727 33.624 31.823 0.124 0.000 0.988 357 V HN 0.397 nan 8.190 nan 0.000 0.469 358 A N 3.850 126.691 122.820 0.035 0.000 2.546 358 A HA 0.276 4.596 4.320 -0.000 0.000 0.243 358 A C 0.789 178.393 177.584 0.033 0.000 1.063 358 A CA 0.164 52.217 52.037 0.026 0.000 0.757 358 A CB -0.364 18.645 19.000 0.015 0.000 0.991 358 A HN 0.859 nan 8.150 nan 0.000 0.503 359 T N 1.899 116.473 114.554 0.033 0.000 2.946 359 T HA 0.399 4.749 4.350 -0.000 0.000 0.311 359 T C 1.584 176.301 174.700 0.028 0.000 1.063 359 T CA 1.550 63.672 62.100 0.038 0.000 1.139 359 T CB 0.474 69.359 68.868 0.028 0.000 0.994 359 T HN 2.069 nan 8.240 nan 0.000 0.547 360 G N 2.704 111.524 108.800 0.032 0.000 2.179 360 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 360 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 360 G C 0.466 175.372 174.900 0.011 0.000 0.977 360 G CA 0.217 45.329 45.100 0.021 0.000 0.641 360 G HN 0.777 nan 8.290 nan 0.000 0.533 361 S N -1.170 114.534 115.700 0.007 0.000 2.624 361 S HA 0.560 5.030 4.470 -0.000 0.000 0.263 361 S C 0.462 175.044 174.600 -0.030 0.000 1.287 361 S CA -0.116 58.076 58.200 -0.013 0.000 0.990 361 S CB 1.965 65.152 63.200 -0.022 0.000 0.950 361 S HN 0.654 nan 8.310 nan 0.000 0.561 362 V N 2.279 122.167 119.914 -0.043 0.000 2.384 362 V HA 0.319 4.439 4.120 -0.000 0.000 0.287 362 V C -0.416 175.620 176.094 -0.097 0.000 1.020 362 V CA -0.553 61.712 62.300 -0.057 0.000 0.850 362 V CB 1.523 33.325 31.823 -0.034 0.000 0.987 362 V HN 0.603 nan 8.190 nan 0.000 0.436 363 V N 4.786 124.606 119.914 -0.156 0.000 2.348 363 V HA 0.292 4.411 4.120 -0.000 0.000 0.270 363 V C 0.533 176.553 176.094 -0.123 0.000 1.037 363 V CA -0.103 62.073 62.300 -0.207 0.000 0.872 363 V CB 1.681 33.259 31.823 -0.409 0.000 1.002 363 V HN 0.939 nan 8.190 nan 0.000 0.464 364 T N 5.457 119.972 114.554 -0.064 0.000 2.771 364 T HA 0.478 4.828 4.350 -0.000 0.000 0.291 364 T C -0.144 174.571 174.700 0.025 0.000 0.954 364 T CA -0.185 61.908 62.100 -0.012 0.000 1.045 364 T CB 1.260 70.124 68.868 -0.007 0.000 0.917 364 T HN 0.337 nan 8.240 nan 0.000 0.484 365 V N 2.705 122.666 119.914 0.079 0.000 2.459 365 V HA 0.832 4.952 4.120 -0.000 0.000 0.295 365 V C -0.070 176.102 176.094 0.131 0.000 1.029 365 V CA -0.816 61.567 62.300 0.139 0.000 0.874 365 V CB 1.447 33.408 31.823 0.230 0.000 0.985 365 V HN 1.056 nan 8.190 nan 0.000 0.438 366 A N 3.397 126.272 122.820 0.091 0.000 2.429 366 A HA 0.935 5.255 4.320 -0.000 0.000 0.289 366 A C -0.189 177.414 177.584 0.032 0.000 1.043 366 A CA 0.129 52.203 52.037 0.060 0.000 0.722 366 A CB 1.663 20.682 19.000 0.032 0.000 1.243 366 A HN 1.224 nan 8.150 nan 0.000 0.415 367 G N -0.315 108.510 108.800 0.042 0.000 2.721 367 G HA2 0.685 4.645 3.960 -0.000 0.000 0.296 367 G HA3 0.685 4.645 3.960 -0.000 0.000 0.296 367 G C -1.729 173.183 174.900 0.021 0.000 1.383 367 G CA -0.543 44.559 45.100 0.002 0.000 0.788 367 G HN 1.233 nan 8.290 nan 0.000 0.500 368 V N -0.083 119.827 119.914 -0.006 0.000 2.760 368 V HA 0.706 4.826 4.120 -0.000 0.000 0.309 368 V C -0.428 175.644 176.094 -0.036 0.000 1.077 368 V CA -0.745 61.558 62.300 0.005 0.000 0.910 368 V CB 1.986 33.810 31.823 0.001 0.000 1.008 368 V HN 0.749 nan 8.190 nan 0.000 0.424 369 S N 3.712 119.394 115.700 -0.030 0.000 2.502 369 S HA 0.561 5.031 4.470 -0.000 0.000 0.304 369 S C -0.684 173.713 174.600 -0.339 0.000 1.097 369 S CA -0.779 57.293 58.200 -0.213 0.000 1.045 369 S CB 1.147 64.284 63.200 -0.105 0.000 1.019 369 S HN 0.745 nan 8.310 nan 0.000 0.481 370 N N 2.038 120.446 118.700 -0.487 0.000 2.399 370 N HA 0.619 5.359 4.740 -0.000 0.000 0.295 370 N C -1.379 173.822 175.510 -0.515 0.000 1.048 370 N CA -0.157 52.709 53.050 -0.307 0.000 0.886 370 N CB 1.247 39.667 38.487 -0.112 0.000 1.185 370 N HN 0.392 nan 8.380 nan 0.000 0.487 371 F N -0.100 119.866 119.950 0.028 0.000 2.603 371 F HA 0.370 4.897 4.527 -0.000 0.000 0.317 371 F C 0.465 176.264 175.800 -0.001 0.000 1.066 371 F CA -0.885 57.112 58.000 -0.005 0.000 0.941 371 F CB 1.801 40.769 39.000 -0.053 0.000 1.291 371 F HN 0.141 nan 8.300 nan 0.000 0.472 372 E N 2.250 122.558 120.200 0.181 0.000 2.175 372 E HA 0.675 5.025 4.350 -0.000 0.000 0.278 372 E C -1.319 175.402 176.600 0.201 0.000 0.969 372 E CA -0.542 55.926 56.400 0.113 0.000 0.796 372 E CB 1.944 31.511 29.700 -0.220 0.000 1.104 372 E HN 0.399 nan 8.360 nan 0.000 0.395 373 L N 3.095 124.464 121.223 0.243 0.000 2.376 373 L HA 0.588 4.927 4.340 -0.000 0.000 0.258 373 L C -0.675 176.367 176.870 0.286 0.000 1.013 373 L CA -0.802 54.132 54.840 0.157 0.000 0.822 373 L CB 1.939 43.774 42.059 -0.374 0.000 1.388 373 L HN 0.428 nan 8.230 nan 0.000 0.413 374 I N 3.217 123.982 120.570 0.325 0.000 2.389 374 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 374 I C -2.217 174.130 176.117 0.383 0.000 0.999 374 I CA -1.904 59.564 61.300 0.281 0.000 1.129 374 I CB 2.202 40.322 38.000 0.201 0.000 1.288 374 I HN 0.281 nan 8.210 nan 0.000 0.444 375 P HA 0.038 nan 4.420 nan 0.000 0.269 375 P C -0.991 176.337 177.300 0.048 0.000 1.215 375 P CA -0.319 62.870 63.100 0.148 0.000 0.780 375 P CB 0.497 32.226 31.700 0.048 0.000 0.898 376 N N 2.426 121.086 118.700 -0.067 0.000 2.317 376 N HA 0.086 4.826 4.740 -0.000 0.000 0.245 376 N C -1.972 173.517 175.510 -0.035 0.000 1.294 376 N CA -1.749 51.277 53.050 -0.041 0.000 0.924 376 N CB -1.613 36.827 38.487 -0.077 0.000 1.186 376 N HN 0.160 nan 8.380 nan 0.000 0.495 377 P HA -0.147 nan 4.420 nan 0.000 0.216 377 P C 1.008 178.290 177.300 -0.030 0.000 1.150 377 P CA 1.558 64.647 63.100 -0.018 0.000 0.843 377 P CB 0.184 31.876 31.700 -0.013 0.000 0.787 378 E N -0.911 119.262 120.200 -0.044 0.000 2.072 378 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 378 E C 1.782 178.349 176.600 -0.055 0.000 0.982 378 E CA 0.770 57.143 56.400 -0.046 0.000 0.803 378 E CB -1.021 28.649 29.700 -0.049 0.000 0.755 378 E HN 0.036 nan 8.360 nan 0.000 0.453 379 L N -0.252 120.921 121.223 -0.085 0.000 2.217 379 L HA 0.084 4.424 4.340 -0.000 0.000 0.211 379 L C 2.008 178.844 176.870 -0.057 0.000 1.107 379 L CA 1.311 56.092 54.840 -0.099 0.000 0.783 379 L CB -0.408 41.531 42.059 -0.199 0.000 0.919 379 L HN 0.177 nan 8.230 nan 0.000 0.442 380 A N -0.742 122.054 122.820 -0.040 0.000 2.024 380 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 380 A C 2.249 179.825 177.584 -0.014 0.000 1.164 380 A CA 1.651 53.679 52.037 -0.014 0.000 0.643 380 A CB -0.442 18.554 19.000 -0.006 0.000 0.806 380 A HN 0.433 nan 8.150 nan 0.000 0.451 381 K N -0.641 119.748 120.400 -0.019 0.000 2.280 381 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 381 K C 0.692 177.285 176.600 -0.011 0.000 1.047 381 K CA 1.151 57.429 56.287 -0.015 0.000 0.942 381 K CB 0.007 32.497 32.500 -0.016 0.000 0.739 381 K HN 0.404 nan 8.250 nan 0.000 0.457 382 N N -0.366 118.326 118.700 -0.012 0.000 2.143 382 N HA 0.109 4.849 4.740 -0.000 0.000 0.222 382 N C -0.837 174.675 175.510 0.004 0.000 1.264 382 N CA 0.027 53.074 53.050 -0.005 0.000 0.897 382 N CB 1.136 39.618 38.487 -0.008 0.000 1.092 382 N HN 0.025 nan 8.380 nan 0.000 0.516 383 L N 1.797 123.024 121.223 0.007 0.000 2.294 383 L HA 0.405 4.745 4.340 -0.000 0.000 0.283 383 L C -0.415 176.469 176.870 0.022 0.000 1.015 383 L CA -0.512 54.345 54.840 0.028 0.000 0.831 383 L CB 2.006 44.094 42.059 0.049 0.000 1.217 383 L HN -0.293 nan 8.230 nan 0.000 0.420 384 V N 2.928 122.851 119.914 0.016 0.000 2.715 384 V HA 0.282 4.402 4.120 -0.000 0.000 0.299 384 V C 0.575 176.660 176.094 -0.014 0.000 1.054 384 V CA -0.053 62.245 62.300 -0.003 0.000 1.077 384 V CB 1.532 33.352 31.823 -0.005 0.000 0.972 384 V HN 0.859 nan 8.190 nan 0.000 0.484 385 T N 2.226 116.749 114.554 -0.051 0.000 2.887 385 T HA 0.796 5.146 4.350 -0.000 0.000 0.288 385 T C -0.805 173.790 174.700 -0.176 0.000 1.021 385 T CA -0.869 61.171 62.100 -0.100 0.000 1.000 385 T CB 2.299 71.113 68.868 -0.090 0.000 1.034 385 T HN 0.683 nan 8.240 nan 0.000 0.467 386 E N 0.375 120.416 120.200 -0.264 0.000 2.446 386 E HA 0.297 4.647 4.350 -0.000 0.000 0.276 386 E C -0.456 175.912 176.600 -0.388 0.000 0.969 386 E CA -0.948 55.288 56.400 -0.273 0.000 0.800 386 E CB 1.557 31.180 29.700 -0.129 0.000 1.341 386 E HN 0.677 nan 8.360 nan 0.000 0.460 387 Y N 0.917 121.155 120.300 -0.105 0.000 2.373 387 Y HA 0.103 4.653 4.550 -0.000 0.000 0.293 387 Y C 1.210 177.102 175.900 -0.013 0.000 1.129 387 Y CA 1.267 59.344 58.100 -0.037 0.000 1.226 387 Y CB 0.421 38.886 38.460 0.008 0.000 1.000 387 Y HN 0.761 nan 8.280 nan 0.000 0.549 388 G N 1.044 109.896 108.800 0.087 0.000 3.039 388 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 388 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 388 G C -0.800 174.198 174.900 0.163 0.000 1.066 388 G CA -1.161 44.005 45.100 0.110 0.000 0.774 388 G HN 0.092 nan 8.290 nan 0.000 0.591 389 R N 0.096 120.674 120.500 0.130 0.000 2.669 389 R HA -0.092 4.248 4.340 -0.000 0.000 0.283 389 R C 0.486 176.888 176.300 0.170 0.000 0.851 389 R CA 0.264 56.440 56.100 0.126 0.000 1.126 389 R CB -0.282 30.066 30.300 0.080 0.000 0.883 389 R HN 0.646 nan 8.270 nan 0.000 0.418 390 F N 3.481 123.448 119.950 0.028 0.000 2.438 390 F HA 0.142 4.668 4.527 -0.000 0.000 0.356 390 F C -0.021 175.786 175.800 0.011 0.000 1.099 390 F CA -1.223 56.785 58.000 0.013 0.000 1.185 390 F CB 0.633 39.635 39.000 0.003 0.000 1.115 390 F HN 0.353 nan 8.300 nan 0.000 0.526 391 D N 8.644 128.718 120.400 -0.543 0.000 2.363 391 D HA 0.319 4.959 4.640 -0.000 0.000 0.258 391 D C -1.914 174.052 176.300 -0.557 0.000 1.259 391 D CA -2.007 51.677 54.000 -0.527 0.000 0.921 391 D CB 1.404 42.092 40.800 -0.187 0.000 1.201 391 D HN 0.213 nan 8.370 nan 0.000 0.524 392 P HA -0.107 nan 4.420 nan 0.000 0.219 392 P C 1.116 178.355 177.300 -0.102 0.000 1.158 392 P CA 1.421 64.287 63.100 -0.390 0.000 0.895 392 P CB 0.353 31.864 31.700 -0.315 0.000 0.792 393 G N -2.134 106.602 108.800 -0.106 0.000 3.277 393 G HA2 0.291 4.251 3.960 -0.000 0.000 0.243 393 G HA3 0.291 4.251 3.960 -0.000 0.000 0.243 393 G C 1.355 176.284 174.900 0.048 0.000 1.107 393 G CA 0.494 45.592 45.100 -0.004 0.000 0.771 393 G HN 0.335 nan 8.290 nan 0.000 0.544 394 A N 0.887 123.714 122.820 0.011 0.000 1.883 394 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 394 A C 2.185 179.850 177.584 0.135 0.000 1.186 394 A CA 2.107 54.195 52.037 0.084 0.000 0.624 394 A CB -0.251 18.772 19.000 0.039 0.000 0.822 394 A HN 0.399 nan 8.150 nan 0.000 0.444 395 M N 0.348 119.981 119.600 0.054 0.000 2.132 395 M HA -0.070 4.409 4.480 -0.000 0.000 0.263 395 M C 1.401 177.762 176.300 0.102 0.000 1.065 395 M CA 1.674 56.997 55.300 0.039 0.000 1.122 395 M CB -0.877 31.716 32.600 -0.012 0.000 1.365 395 M HN 0.386 nan 8.290 nan 0.000 0.411 396 N N -0.945 117.822 118.700 0.111 0.000 2.166 396 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 396 N C 1.689 177.286 175.510 0.145 0.000 1.019 396 N CA 1.358 54.475 53.050 0.112 0.000 0.856 396 N CB -0.647 37.905 38.487 0.107 0.000 0.993 396 N HN 0.526 nan 8.380 nan 0.000 0.426 397 Y N 1.617 121.957 120.300 0.065 0.000 2.293 397 Y HA -0.109 4.440 4.550 -0.000 0.000 0.291 397 Y C 2.205 178.172 175.900 0.112 0.000 1.137 397 Y CA 1.330 59.479 58.100 0.082 0.000 1.202 397 Y CB -0.343 38.165 38.460 0.080 0.000 0.990 397 Y HN 0.010 nan 8.280 nan 0.000 0.537 398 T N 0.019 114.705 114.554 0.219 0.000 2.777 398 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 398 T C 1.803 176.570 174.700 0.110 0.000 1.040 398 T CA 1.626 63.844 62.100 0.197 0.000 1.141 398 T CB -0.116 68.928 68.868 0.294 0.000 0.868 398 T HN 0.259 nan 8.240 nan 0.000 0.444 399 K N 0.486 120.943 120.400 0.096 0.000 2.057 399 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 399 K C 2.222 178.828 176.600 0.010 0.000 1.050 399 K CA 0.840 57.167 56.287 0.067 0.000 0.935 399 K CB -0.359 32.181 32.500 0.067 0.000 0.715 399 K HN 0.153 nan 8.250 nan 0.000 0.439 400 L N 1.509 122.710 121.223 -0.037 0.000 1.994 400 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 400 L C 1.915 178.720 176.870 -0.108 0.000 1.071 400 L CA 1.645 56.433 54.840 -0.086 0.000 0.745 400 L CB -0.463 41.503 42.059 -0.154 0.000 0.892 400 L HN 0.060 nan 8.230 nan 0.000 0.431 401 I N -0.181 120.288 120.570 -0.169 0.000 2.163 401 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 401 I C 2.620 178.722 176.117 -0.025 0.000 1.085 401 I CA 1.589 62.823 61.300 -0.109 0.000 1.347 401 I CB -1.294 36.648 38.000 -0.096 0.000 1.044 401 I HN 0.340 nan 8.210 nan 0.000 0.408 402 L N 0.225 121.449 121.223 0.002 0.000 2.141 402 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 402 L C 2.633 179.500 176.870 -0.005 0.000 1.094 402 L CA 1.457 56.304 54.840 0.011 0.000 0.763 402 L CB -0.576 41.507 42.059 0.041 0.000 0.908 402 L HN 0.334 nan 8.230 nan 0.000 0.437 403 S N -0.683 115.012 115.700 -0.008 0.000 2.453 403 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 403 S C 1.457 176.048 174.600 -0.014 0.000 1.005 403 S CA 0.692 58.886 58.200 -0.011 0.000 0.949 403 S CB -0.029 63.166 63.200 -0.008 0.000 0.774 403 S HN 0.331 nan 8.310 nan 0.000 0.510 404 E N 1.111 121.302 120.200 -0.014 0.000 2.437 404 E HA 0.196 4.546 4.350 -0.000 0.000 0.195 404 E C 1.491 178.091 176.600 -0.000 0.000 1.029 404 E CA -0.226 56.170 56.400 -0.006 0.000 0.948 404 E CB -0.108 29.590 29.700 -0.003 0.000 1.082 404 E HN 0.568 nan 8.360 nan 0.000 0.456 405 R N 1.207 121.699 120.500 -0.013 0.000 2.113 405 R HA -0.233 4.107 4.340 -0.000 0.000 0.244 405 R C 1.089 177.364 176.300 -0.041 0.000 1.142 405 R CA 1.757 57.841 56.100 -0.027 0.000 0.953 405 R CB 0.296 30.569 30.300 -0.045 0.000 0.860 405 R HN -0.012 nan 8.270 nan 0.000 0.438 406 E N -0.177 119.999 120.200 -0.040 0.000 2.047 406 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 406 E C 2.008 178.594 176.600 -0.023 0.000 0.987 406 E CA 1.365 57.738 56.400 -0.046 0.000 0.799 406 E CB -0.246 29.430 29.700 -0.039 0.000 0.752 406 E HN 0.323 nan 8.360 nan 0.000 0.449 407 R N 0.359 120.857 120.500 -0.002 0.000 2.115 407 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 407 R C 1.691 178.019 176.300 0.046 0.000 1.111 407 R CA 1.011 57.122 56.100 0.018 0.000 0.976 407 R CB -0.127 30.186 30.300 0.023 0.000 0.870 407 R HN 0.209 nan 8.270 nan 0.000 0.445 408 L N -0.231 121.028 121.223 0.061 0.000 2.509 408 L HA 0.242 4.582 4.340 -0.000 0.000 0.222 408 L C 0.974 177.921 176.870 0.127 0.000 1.123 408 L CA 0.431 55.350 54.840 0.131 0.000 0.856 408 L CB 0.160 42.315 42.059 0.160 0.000 0.985 408 L HN 0.549 nan 8.230 nan 0.000 0.456 409 G N 1.725 110.533 108.800 0.013 0.000 2.272 409 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.280 409 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.280 409 G C 0.041 174.802 174.900 -0.231 0.000 1.067 409 G CA -0.149 44.899 45.100 -0.085 0.000 0.902 409 G HN 0.316 nan 8.290 nan 0.000 0.500 410 I N 0.705 121.154 120.570 -0.202 0.000 2.308 410 I HA 0.234 4.404 4.170 -0.000 0.000 0.293 410 I C 0.853 176.691 176.117 -0.465 0.000 1.078 410 I CA -0.150 60.983 61.300 -0.280 0.000 1.292 410 I CB 0.549 38.506 38.000 -0.072 0.000 1.423 410 I HN 0.102 nan 8.210 nan 0.000 0.493 411 K N 3.563 123.363 120.400 -1.000 0.000 2.106 411 K HA 0.417 4.737 4.320 -0.000 0.000 0.246 411 K C 0.946 177.194 176.600 -0.588 0.000 0.987 411 K CA -0.616 55.079 56.287 -0.987 0.000 0.904 411 K CB 1.231 32.775 32.500 -1.594 0.000 1.071 411 K HN 0.540 nan 8.250 nan 0.000 0.453 412 T N -3.111 111.218 114.554 -0.375 0.000 3.037 412 T HA 0.064 4.414 4.350 -0.000 0.000 0.252 412 T C 0.676 175.306 174.700 -0.116 0.000 1.073 412 T CA -0.185 61.818 62.100 -0.162 0.000 1.091 412 T CB -0.124 68.676 68.868 -0.113 0.000 0.935 412 T HN 0.403 nan 8.240 nan 0.000 0.488 413 V N -1.546 118.233 119.914 -0.225 0.000 2.577 413 V HA 0.833 4.953 4.120 -0.000 0.000 0.303 413 V C -1.909 174.118 176.094 -0.111 0.000 1.042 413 V CA -1.662 60.594 62.300 -0.074 0.000 0.872 413 V CB 0.986 32.778 31.823 -0.051 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.739 124.973 121.300 -0.109 0.000 2.864 414 W HA 0.776 5.436 4.660 -0.000 0.000 0.343 414 W C -2.724 173.788 176.519 -0.012 0.000 1.109 414 W CA -2.515 54.796 57.345 -0.056 0.000 1.192 414 W CB 1.516 30.954 29.460 -0.035 0.000 1.426 414 W HN 0.338 nan 8.180 nan 0.000 0.529 415 P HA 0.103 nan 4.420 nan 0.000 0.282 415 P C 0.676 178.107 177.300 0.219 0.000 1.262 415 P CA 0.139 63.352 63.100 0.188 0.000 0.773 415 P CB 1.320 33.111 31.700 0.150 0.000 0.879 416 T N 3.089 117.735 114.554 0.153 0.000 2.721 416 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 416 T C 1.732 176.511 174.700 0.133 0.000 1.038 416 T CA 1.568 63.750 62.100 0.137 0.000 1.145 416 T CB -0.285 68.636 68.868 0.089 0.000 0.858 416 T HN 0.493 nan 8.240 nan 0.000 0.459 417 R N 0.729 121.296 120.500 0.112 0.000 2.081 417 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 417 R C 2.536 178.896 176.300 0.100 0.000 1.131 417 R CA 1.460 57.611 56.100 0.086 0.000 0.960 417 R CB -0.218 30.126 30.300 0.073 0.000 0.856 417 R HN 0.488 nan 8.270 nan 0.000 0.436 418 E N -0.253 120.045 120.200 0.163 0.000 2.072 418 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 418 E C 1.643 178.367 176.600 0.208 0.000 0.985 418 E CA 1.007 57.540 56.400 0.222 0.000 0.801 418 E CB -0.124 29.765 29.700 0.315 0.000 0.750 418 E HN 0.280 nan 8.360 nan 0.000 0.452 419 Y N 1.285 121.572 120.300 -0.023 0.000 2.181 419 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 419 Y C 2.248 178.010 175.900 -0.230 0.000 1.146 419 Y CA 1.814 59.596 58.100 -0.530 0.000 1.164 419 Y CB -0.551 37.449 38.460 -0.766 0.000 0.982 419 Y HN -0.041 nan 8.280 nan 0.000 0.515 420 T N 0.285 114.713 114.554 -0.209 0.000 2.746 420 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 420 T C 1.391 176.008 174.700 -0.137 0.000 1.039 420 T CA 1.651 63.631 62.100 -0.200 0.000 1.142 420 T CB -0.336 68.498 68.868 -0.057 0.000 0.866 420 T HN 0.375 nan 8.240 nan 0.000 0.444 421 D N 0.538 120.916 120.400 -0.037 0.000 2.144 421 D HA -0.045 4.595 4.640 -0.000 0.000 0.199 421 D C 1.701 178.020 176.300 0.032 0.000 0.984 421 D CA 0.651 54.658 54.000 0.011 0.000 0.834 421 D CB -0.469 40.359 40.800 0.047 0.000 0.955 421 D HN 0.387 nan 8.370 nan 0.000 0.465 422 F N 1.875 121.752 119.950 -0.122 0.000 2.161 422 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 422 F C 2.267 177.998 175.800 -0.115 0.000 1.089 422 F CA 1.318 59.269 58.000 -0.081 0.000 1.282 422 F CB 0.068 38.945 39.000 -0.205 0.000 1.010 422 F HN -0.216 nan 8.300 nan 0.000 0.485 423 R N 0.287 120.623 120.500 -0.273 0.000 2.092 423 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 423 R C 2.172 178.389 176.300 -0.139 0.000 1.119 423 R CA 1.808 57.744 56.100 -0.272 0.000 0.970 423 R CB -0.371 29.738 30.300 -0.318 0.000 0.864 423 R HN 0.434 nan 8.270 nan 0.000 0.440 424 E N -0.382 119.761 120.200 -0.095 0.000 2.028 424 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 424 E C 1.572 178.162 176.600 -0.016 0.000 0.988 424 E CA 1.021 57.396 56.400 -0.041 0.000 0.799 424 E CB -0.194 29.500 29.700 -0.010 0.000 0.755 424 E HN 0.284 nan 8.360 nan 0.000 0.447 425 Y N -0.024 120.193 120.300 -0.137 0.000 2.556 425 Y HA -0.225 4.325 4.550 -0.000 0.000 0.290 425 Y C 1.574 177.401 175.900 -0.121 0.000 1.149 425 Y CA 1.125 59.153 58.100 -0.119 0.000 1.329 425 Y CB -0.097 38.299 38.460 -0.107 0.000 0.975 425 Y HN 0.068 nan 8.280 nan 0.000 0.561 426 F N -0.997 118.735 119.950 -0.364 0.000 2.315 426 F HA 0.112 4.639 4.527 -0.000 0.000 0.284 426 F C 1.343 176.988 175.800 -0.258 0.000 1.049 426 F CA 0.002 57.769 58.000 -0.388 0.000 1.323 426 F CB -0.007 38.688 39.000 -0.508 0.000 1.113 426 F HN -0.231 nan 8.300 nan 0.000 0.544 427 M N 0.000 119.473 119.600 -0.211 0.000 2.572 427 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 427 M CA 0.000 55.139 55.300 -0.268 0.000 0.988 427 M CB 0.000 32.520 32.600 -0.134 0.000 1.302 427 M HN 0.000 nan 8.290 nan 0.000 0.411