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_Q DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGGXXXL 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 DFREYFMEVA 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 0.000 176.076 176.117 -0.069 0.000 1.063 11 I CA 0.000 61.245 61.300 -0.092 0.000 1.566 11 I CB 0.000 37.942 38.000 -0.097 0.000 1.214 12 V N 10.516 130.387 119.914 -0.071 0.000 2.485 12 V HA 0.160 4.280 4.120 0.000 0.000 0.287 12 V C -1.508 174.618 176.094 0.054 0.000 1.022 12 V CA -0.517 61.772 62.300 -0.018 0.000 1.067 12 V CB 0.782 32.597 31.823 -0.013 0.000 0.967 12 V HN 0.760 nan 8.190 nan 0.000 0.479 13 P HA -0.195 nan 4.420 nan 0.000 0.216 13 P C 1.620 178.992 177.300 0.120 0.000 1.153 13 P CA 1.248 64.393 63.100 0.075 0.000 0.858 13 P CB 0.042 31.789 31.700 0.078 0.000 0.789 14 F N 0.510 120.484 119.950 0.039 0.000 2.095 14 F HA -0.207 4.320 4.527 0.000 0.000 0.298 14 F C 1.939 177.793 175.800 0.091 0.000 1.104 14 F CA 1.436 59.463 58.000 0.044 0.000 1.232 14 F CB -0.864 38.139 39.000 0.006 0.000 0.987 14 F HN -0.237 nan 8.300 nan 0.000 0.475 15 I N 0.430 120.947 120.570 -0.088 0.000 2.208 15 I HA -0.281 3.889 4.170 0.000 0.000 0.245 15 I C 2.546 178.669 176.117 0.011 0.000 1.097 15 I CA 1.499 62.748 61.300 -0.085 0.000 1.363 15 I CB -1.626 36.487 38.000 0.187 0.000 1.051 15 I HN 0.215 nan 8.210 nan 0.000 0.413 16 R N 0.586 121.159 120.500 0.122 0.000 2.081 16 R HA -0.166 4.174 4.340 0.000 0.000 0.235 16 R C 2.634 178.971 176.300 0.061 0.000 1.131 16 R CA 1.920 58.127 56.100 0.177 0.000 0.960 16 R CB -0.174 30.160 30.300 0.057 0.000 0.856 16 R HN 0.237 nan 8.270 nan 0.000 0.436 17 S N 0.124 115.796 115.700 -0.046 0.000 2.368 17 S HA -0.113 4.357 4.470 0.000 0.000 0.224 17 S C 1.826 176.355 174.600 -0.119 0.000 1.029 17 S CA 1.103 59.265 58.200 -0.063 0.000 0.988 17 S CB -0.287 62.891 63.200 -0.036 0.000 0.838 17 S HN 0.344 nan 8.310 nan 0.000 0.462 18 L N 1.682 122.714 121.223 -0.318 0.000 1.989 18 L HA 0.041 4.381 4.340 0.000 0.000 0.211 18 L C 1.978 178.821 176.870 -0.045 0.000 1.071 18 L CA 1.935 56.607 54.840 -0.281 0.000 0.749 18 L CB -0.648 41.087 42.059 -0.541 0.000 0.890 18 L HN 0.394 nan 8.230 nan 0.000 0.431 19 L N -1.597 119.649 121.223 0.038 0.000 2.341 19 L HA 0.046 4.387 4.340 0.000 0.000 0.214 19 L C 0.739 177.787 176.870 0.297 0.000 1.115 19 L CA 0.352 55.316 54.840 0.208 0.000 0.820 19 L CB -0.083 42.118 42.059 0.237 0.000 0.944 19 L HN 0.271 nan 8.230 nan 0.000 0.452 20 M N -0.659 119.064 119.600 0.205 0.000 2.720 20 M HA 0.235 4.715 4.480 0.000 0.000 0.250 20 M C -1.946 174.409 176.300 0.092 0.000 1.280 20 M CA -1.256 54.153 55.300 0.183 0.000 0.579 20 M CB 1.617 34.293 32.600 0.127 0.000 1.469 20 M HN -0.262 nan 8.290 nan 0.000 0.416 21 P HA -0.181 nan 4.420 nan 0.000 0.218 21 P C 1.315 178.623 177.300 0.012 0.000 1.146 21 P CA 1.558 64.666 63.100 0.012 0.000 0.813 21 P CB -0.197 31.491 31.700 -0.019 0.000 0.778 22 T N -4.844 109.728 114.554 0.030 0.000 3.163 22 T HA -0.058 4.292 4.350 0.000 0.000 0.260 22 T C 1.418 176.127 174.700 0.015 0.000 1.156 22 T CA 1.360 63.473 62.100 0.022 0.000 1.072 22 T CB -1.430 67.456 68.868 0.030 0.000 0.937 22 T HN 0.216 nan 8.240 nan 0.000 0.528 23 T N -1.940 112.622 114.554 0.013 0.000 3.100 23 T HA 0.515 4.865 4.350 0.000 0.000 0.253 23 T C 1.172 175.877 174.700 0.008 0.000 1.118 23 T CA 0.152 62.253 62.100 0.001 0.000 1.058 23 T CB -0.330 68.531 68.868 -0.013 0.000 0.953 23 T HN 1.061 nan 8.240 nan 0.000 0.515 24 G N 1.604 110.413 108.800 0.015 0.000 2.381 24 G HA2 0.264 4.224 3.960 0.000 0.000 0.672 24 G HA3 0.264 4.224 3.960 0.000 0.000 0.672 24 G C -3.389 171.531 174.900 0.033 0.000 1.324 24 G CA -0.645 44.471 45.100 0.026 0.000 0.975 24 G HN 0.279 nan 8.290 nan 0.000 0.593 25 P HA 0.747 nan 4.420 nan 0.000 0.281 25 P C -0.351 177.015 177.300 0.110 0.000 1.281 25 P CA 0.329 63.473 63.100 0.074 0.000 0.811 25 P CB 1.985 33.736 31.700 0.084 0.000 1.154 26 A N -0.256 122.662 122.820 0.162 0.000 2.605 26 A HA 0.543 4.863 4.320 0.000 0.000 0.294 26 A C -0.713 177.010 177.584 0.232 0.000 1.062 26 A CA -0.511 51.647 52.037 0.201 0.000 0.682 26 A CB 0.415 19.559 19.000 0.240 0.000 1.278 26 A HN 0.362 nan 8.150 nan 0.000 0.410 27 S N 0.896 116.713 115.700 0.194 0.000 2.565 27 S HA 0.432 4.902 4.470 0.000 0.000 0.276 27 S C 0.343 174.884 174.600 -0.099 0.000 1.326 27 S CA -0.280 57.995 58.200 0.124 0.000 1.045 27 S CB 0.172 63.507 63.200 0.225 0.000 0.918 27 S HN 0.475 nan 8.310 nan 0.000 0.505 28 I N 4.874 125.275 120.570 -0.283 0.000 2.598 28 I HA 0.097 4.267 4.170 0.000 0.000 0.284 28 I C -1.461 174.308 176.117 -0.580 0.000 1.140 28 I CA -1.401 59.434 61.300 -0.775 0.000 1.420 28 I CB 0.297 37.959 38.000 -0.563 0.000 1.387 28 I HN 0.432 nan 8.210 nan 0.000 0.553 29 P HA 0.057 nan 4.420 nan 0.000 0.237 29 P C -0.914 176.232 177.300 -0.258 0.000 1.723 29 P CA -0.167 62.725 63.100 -0.346 0.000 0.882 29 P CB -0.384 31.148 31.700 -0.280 0.000 1.810 30 D N -0.743 119.516 120.400 -0.235 0.000 2.509 30 D HA 0.124 4.764 4.640 0.000 0.000 0.275 30 D C 0.433 176.718 176.300 -0.025 0.000 1.189 30 D CA -0.277 53.651 54.000 -0.119 0.000 1.098 30 D CB -0.114 40.622 40.800 -0.106 0.000 1.177 30 D HN -0.180 nan 8.370 nan 0.000 0.599 31 D N -1.436 118.968 120.400 0.007 0.000 2.395 31 D HA 0.073 4.713 4.640 0.000 0.000 0.213 31 D C -0.091 176.240 176.300 0.052 0.000 1.110 31 D CA 0.180 54.197 54.000 0.028 0.000 0.835 31 D CB 0.280 41.095 40.800 0.025 0.000 0.965 31 D HN 0.240 nan 8.370 nan 0.000 0.505 32 T N 1.943 116.537 114.554 0.067 0.000 4.098 32 T HA 0.199 4.549 4.350 0.000 0.000 0.291 32 T C 0.908 175.715 174.700 0.179 0.000 1.440 32 T CA -0.144 62.029 62.100 0.121 0.000 1.164 32 T CB -0.346 68.598 68.868 0.126 0.000 1.313 32 T HN 0.027 nan 8.240 nan 0.000 0.951 33 L N 3.524 124.845 121.223 0.165 0.000 2.536 33 L HA 0.218 4.558 4.340 0.000 0.000 0.282 33 L C 0.746 177.835 176.870 0.365 0.000 1.174 33 L CA 0.246 55.239 54.840 0.255 0.000 0.989 33 L CB -0.161 41.972 42.059 0.124 0.000 1.311 33 L HN 0.392 nan 8.230 nan 0.000 0.455 34 E N 3.103 123.515 120.200 0.354 0.000 2.256 34 E HA 0.360 4.710 4.350 0.000 0.000 0.267 34 E C -0.779 175.856 176.600 0.058 0.000 0.892 34 E CA -1.049 55.434 56.400 0.137 0.000 0.775 34 E CB 2.503 32.102 29.700 -0.168 0.000 1.207 34 E HN 0.308 nan 8.360 nan 0.000 0.420 35 K N 3.204 123.386 120.400 -0.363 0.000 2.383 35 K HA 0.128 4.448 4.320 0.000 0.000 0.286 35 K C 0.043 176.529 176.600 -0.190 0.000 1.051 35 K CA 0.126 56.097 56.287 -0.526 0.000 0.974 35 K CB 0.277 32.436 32.500 -0.568 0.000 0.968 35 K HN 0.557 nan 8.250 nan 0.000 0.475 36 H N -0.400 118.603 119.070 -0.112 0.000 2.928 36 H HA 0.416 4.972 4.556 0.000 0.000 0.285 36 H C -1.137 174.226 175.328 0.058 0.000 1.438 36 H CA -0.775 55.277 56.048 0.007 0.000 1.176 36 H CB 1.736 31.584 29.762 0.143 0.000 1.864 36 H HN 0.467 nan 8.280 nan 0.000 0.567 37 T N 0.357 115.050 114.554 0.233 0.000 2.916 37 T HA 0.583 4.933 4.350 0.000 0.000 0.292 37 T C -0.968 173.907 174.700 0.292 0.000 1.055 37 T CA -0.784 61.423 62.100 0.178 0.000 1.009 37 T CB 1.066 70.040 68.868 0.177 0.000 1.118 37 T HN 0.422 nan 8.240 nan 0.000 0.497 38 L N 3.968 125.321 121.223 0.217 0.000 2.307 38 L HA 0.739 5.079 4.340 0.000 0.000 0.284 38 L C 0.211 177.174 176.870 0.155 0.000 1.023 38 L CA -1.021 53.943 54.840 0.206 0.000 0.810 38 L CB 1.358 43.527 42.059 0.184 0.000 1.231 38 L HN 0.477 nan 8.230 nan 0.000 0.423 39 R N 1.426 122.021 120.500 0.159 0.000 2.774 39 R HA 0.614 4.954 4.340 0.000 0.000 0.272 39 R C -1.388 175.022 176.300 0.184 0.000 1.000 39 R CA -0.908 55.283 56.100 0.151 0.000 0.906 39 R CB 2.368 32.728 30.300 0.101 0.000 1.227 39 R HN 0.475 nan 8.270 nan 0.000 0.468 40 S N 1.189 116.981 115.700 0.153 0.000 2.502 40 S HA 0.468 4.938 4.470 0.000 0.000 0.304 40 S C -0.888 173.813 174.600 0.169 0.000 1.097 40 S CA -0.757 57.520 58.200 0.128 0.000 1.045 40 S CB 2.001 65.246 63.200 0.075 0.000 1.019 40 S HN 0.238 nan 8.310 nan 0.000 0.481 41 E N 2.440 122.769 120.200 0.214 0.000 2.210 41 E HA 0.409 4.759 4.350 0.000 0.000 0.266 41 E C -0.221 176.472 176.600 0.155 0.000 0.883 41 E CA -0.462 56.067 56.400 0.214 0.000 0.761 41 E CB 2.020 31.917 29.700 0.328 0.000 1.156 41 E HN 0.717 nan 8.360 nan 0.000 0.412 42 T N -0.766 113.857 114.554 0.113 0.000 2.881 42 T HA 0.616 4.966 4.350 0.000 0.000 0.278 42 T C 0.243 175.008 174.700 0.108 0.000 0.982 42 T CA -0.689 61.463 62.100 0.087 0.000 0.989 42 T CB 1.056 69.955 68.868 0.052 0.000 1.058 42 T HN 0.123 nan 8.240 nan 0.000 0.529 43 S N 0.933 116.697 115.700 0.108 0.000 2.672 43 S HA 0.679 5.149 4.470 0.000 0.000 0.291 43 S C -0.578 174.087 174.600 0.109 0.000 1.145 43 S CA -0.903 57.401 58.200 0.173 0.000 1.013 43 S CB 1.500 64.862 63.200 0.271 0.000 1.017 43 S HN 1.128 nan 8.310 nan 0.000 0.487 44 T N 1.146 115.653 114.554 -0.079 0.000 2.928 44 T HA 0.776 5.127 4.350 0.000 0.000 0.296 44 T C -1.439 172.956 174.700 -0.508 0.000 1.000 44 T CA -0.517 61.498 62.100 -0.141 0.000 0.989 44 T CB 0.702 69.496 68.868 -0.124 0.000 1.005 44 T HN 0.405 nan 8.240 nan 0.000 0.442 45 Y N 1.146 121.454 120.300 0.014 0.000 2.534 45 Y HA 0.584 5.134 4.550 0.000 0.000 0.345 45 Y C -0.315 175.568 175.900 -0.029 0.000 1.031 45 Y CA -1.255 56.841 58.100 -0.007 0.000 1.022 45 Y CB 2.454 40.904 38.460 -0.015 0.000 1.292 45 Y HN 0.611 nan 8.280 nan 0.000 0.459 46 N N 3.388 122.147 118.700 0.099 0.000 2.626 46 N HA 0.398 5.138 4.740 0.000 0.000 0.249 46 N C -1.400 174.129 175.510 0.031 0.000 1.021 46 N CA -0.306 52.765 53.050 0.034 0.000 0.886 46 N CB 1.205 39.695 38.487 0.004 0.000 1.149 46 N HN 0.535 nan 8.380 nan 0.000 0.517 47 L N 0.812 122.023 121.223 -0.020 0.000 2.375 47 L HA 0.448 4.788 4.340 0.000 0.000 0.271 47 L C 0.798 177.654 176.870 -0.024 0.000 1.107 47 L CA -0.291 54.517 54.840 -0.053 0.000 0.806 47 L CB 0.854 42.733 42.059 -0.300 0.000 1.146 47 L HN 0.157 nan 8.230 nan 0.000 0.447 48 T N 1.568 116.155 114.554 0.055 0.000 2.829 48 T HA 0.363 4.713 4.350 0.000 0.000 0.282 48 T C -0.048 174.724 174.700 0.120 0.000 0.990 48 T CA -0.433 61.701 62.100 0.056 0.000 1.028 48 T CB 1.815 70.712 68.868 0.048 0.000 0.951 48 T HN 0.197 nan 8.240 nan 0.000 0.460 49 V N 3.433 123.393 119.914 0.076 0.000 2.530 49 V HA 0.472 4.592 4.120 0.000 0.000 0.282 49 V C 1.233 177.404 176.094 0.129 0.000 1.048 49 V CA -0.311 62.077 62.300 0.147 0.000 0.997 49 V CB 1.136 33.013 31.823 0.090 0.000 0.987 49 V HN 1.041 nan 8.190 nan 0.000 0.477 50 G N 2.775 111.668 108.800 0.155 0.000 2.570 50 G HA2 0.126 4.086 3.960 0.000 0.000 0.276 50 G HA3 0.126 4.086 3.960 0.000 0.000 0.276 50 G C 0.647 175.587 174.900 0.066 0.000 1.346 50 G CA 0.076 45.228 45.100 0.087 0.000 1.034 50 G HN 0.797 nan 8.290 nan 0.000 0.512 51 D N -1.129 119.292 120.400 0.036 0.000 2.348 51 D HA -0.135 4.505 4.640 0.000 0.000 0.216 51 D C 2.152 178.461 176.300 0.015 0.000 0.970 51 D CA 1.441 55.455 54.000 0.022 0.000 0.889 51 D CB -0.520 40.286 40.800 0.009 0.000 0.912 51 D HN 0.444 nan 8.370 nan 0.000 0.524 52 T N -3.544 111.018 114.554 0.012 0.000 3.081 52 T HA 0.308 4.658 4.350 0.000 0.000 0.255 52 T C 1.823 176.531 174.700 0.014 0.000 1.113 52 T CA 0.574 62.669 62.100 -0.007 0.000 1.082 52 T CB 0.001 68.843 68.868 -0.042 0.000 0.939 52 T HN 0.291 nan 8.240 nan 0.000 0.506 53 G N 0.374 109.214 108.800 0.066 0.000 2.155 53 G HA2 -0.229 3.731 3.960 0.000 0.000 0.257 53 G HA3 -0.229 3.731 3.960 0.000 0.000 0.257 53 G C 0.112 175.118 174.900 0.176 0.000 0.983 53 G CA 0.288 45.460 45.100 0.120 0.000 0.676 53 G HN 0.858 nan 8.290 nan 0.000 0.528 54 S N -0.814 114.927 115.700 0.069 0.000 2.542 54 S HA 0.889 5.359 4.470 0.000 0.000 0.293 54 S C 0.288 174.652 174.600 -0.393 0.000 1.089 54 S CA 0.625 58.733 58.200 -0.153 0.000 0.961 54 S CB 1.831 64.946 63.200 -0.143 0.000 1.062 54 S HN 1.731 nan 8.310 nan 0.000 0.483 55 G N 1.178 109.337 108.800 -1.068 0.000 2.550 55 G HA2 0.610 4.570 3.960 0.000 0.000 0.293 55 G HA3 0.610 4.570 3.960 0.000 0.000 0.293 55 G C -2.394 172.233 174.900 -0.455 0.000 1.402 55 G CA -0.564 44.100 45.100 -0.727 0.000 0.784 55 G HN 0.782 nan 8.290 nan 0.000 0.482 56 L N -0.103 121.142 121.223 0.036 0.000 2.464 56 L HA 0.763 5.103 4.340 0.000 0.000 0.266 56 L C -1.204 175.767 176.870 0.169 0.000 0.965 56 L CA -0.616 54.263 54.840 0.065 0.000 0.833 56 L CB 1.822 43.817 42.059 -0.106 0.000 1.296 56 L HN 0.502 nan 8.230 nan 0.000 0.405 57 I N 5.359 125.951 120.570 0.038 0.000 2.378 57 I HA 0.437 4.608 4.170 0.000 0.000 0.291 57 I C -0.722 175.156 176.117 -0.397 0.000 0.992 57 I CA -0.948 60.234 61.300 -0.196 0.000 1.154 57 I CB 1.905 39.645 38.000 -0.434 0.000 1.315 57 I HN 0.248 nan 8.210 nan 0.000 0.448 58 V N 7.299 126.948 119.914 -0.442 0.000 2.350 58 V HA 0.370 4.490 4.120 0.000 0.000 0.276 58 V C -0.274 175.372 176.094 -0.746 0.000 1.028 58 V CA -0.307 61.687 62.300 -0.511 0.000 0.860 58 V CB 0.973 32.519 31.823 -0.462 0.000 0.990 58 V HN 0.406 nan 8.190 nan 0.000 0.453 59 F N 4.167 123.842 119.950 -0.459 0.000 2.425 59 F HA 0.567 5.094 4.527 0.000 0.000 0.331 59 F C 0.054 175.507 175.800 -0.579 0.000 1.085 59 F CA -0.599 57.124 58.000 -0.462 0.000 1.028 59 F CB 1.695 40.587 39.000 -0.181 0.000 1.177 59 F HN 0.364 nan 8.300 nan 0.000 0.487 60 F N 3.528 123.656 119.950 0.297 0.000 2.334 60 F HA 0.254 4.781 4.527 0.000 0.000 0.343 60 F C -1.523 174.426 175.800 0.248 0.000 1.136 60 F CA -1.749 56.400 58.000 0.248 0.000 1.237 60 F CB 0.228 39.381 39.000 0.255 0.000 1.525 60 F HN 0.280 nan 8.300 nan 0.000 0.528 61 P HA -0.202 nan 4.420 nan 0.000 0.217 61 P C 1.404 178.811 177.300 0.177 0.000 1.151 61 P CA 1.671 64.859 63.100 0.145 0.000 0.849 61 P CB 0.274 32.015 31.700 0.069 0.000 0.787 62 G N -1.905 107.026 108.800 0.219 0.000 3.284 62 G HA2 0.051 4.011 3.960 0.000 0.000 0.236 62 G HA3 0.051 4.011 3.960 0.000 0.000 0.236 62 G C -0.058 174.992 174.900 0.250 0.000 1.158 62 G CA -0.486 44.729 45.100 0.191 0.000 0.774 62 G HN 0.150 nan 8.290 nan 0.000 0.545 63 F N 2.962 123.051 119.950 0.232 0.000 2.602 63 F HA 0.218 4.745 4.527 0.000 0.000 0.385 63 F C -1.448 174.486 175.800 0.223 0.000 1.063 63 F CA -2.102 56.030 58.000 0.221 0.000 1.233 63 F CB 1.048 40.196 39.000 0.247 0.000 1.067 63 F HN -0.022 nan 8.300 nan 0.000 0.564 64 P HA 0.317 nan 4.420 nan 0.000 0.219 64 P C -0.131 177.065 177.300 -0.174 0.000 1.832 64 P CA 0.290 63.266 63.100 -0.206 0.000 1.014 64 P CB 0.227 31.700 31.700 -0.378 0.000 1.939 65 G N 0.096 109.053 108.800 0.262 0.000 2.399 65 G HA2 0.044 4.004 3.960 0.000 0.000 0.256 65 G HA3 0.044 4.004 3.960 0.000 0.000 0.256 65 G C 0.131 175.275 174.900 0.407 0.000 1.236 65 G CA -0.318 44.919 45.100 0.227 0.000 0.914 65 G HN -0.083 nan 8.290 nan 0.000 0.482 66 S N -0.130 115.739 115.700 0.282 0.000 2.593 66 S HA 0.279 4.749 4.470 0.000 0.000 0.217 66 S C 0.913 175.594 174.600 0.135 0.000 0.966 66 S CA 0.011 58.330 58.200 0.200 0.000 0.914 66 S CB -0.270 62.993 63.200 0.106 0.000 0.776 66 S HN 0.337 nan 8.310 nan 0.000 0.523 67 I N 1.793 122.320 120.570 -0.072 0.000 2.322 67 I HA 0.141 4.311 4.170 0.000 0.000 0.292 67 I C 0.885 176.976 176.117 -0.044 0.000 1.060 67 I CA -0.196 60.907 61.300 -0.327 0.000 1.309 67 I CB 1.219 38.609 38.000 -1.016 0.000 1.415 67 I HN -0.030 nan 8.210 nan 0.000 0.492 68 V N 5.717 125.719 119.914 0.147 0.000 2.685 68 V HA 0.309 4.429 4.120 0.000 0.000 0.244 68 V C 1.060 177.343 176.094 0.313 0.000 1.054 68 V CA 1.201 63.667 62.300 0.275 0.000 1.076 68 V CB 0.197 32.178 31.823 0.264 0.000 0.725 68 V HN 0.980 nan 8.190 nan 0.000 0.467 69 G N -1.332 107.566 108.800 0.164 0.000 2.348 69 G HA2 0.664 4.624 3.960 0.000 0.000 0.296 69 G HA3 0.664 4.624 3.960 0.000 0.000 0.296 69 G C -1.868 172.990 174.900 -0.069 0.000 1.258 69 G CA 0.125 45.160 45.100 -0.108 0.000 0.868 69 G HN 0.648 nan 8.290 nan 0.000 0.488 70 A N -0.562 122.141 122.820 -0.196 0.000 2.520 70 A HA 0.777 5.097 4.320 0.000 0.000 0.298 70 A C -1.279 176.205 177.584 -0.167 0.000 1.051 70 A CA -0.423 51.565 52.037 -0.082 0.000 0.690 70 A CB 1.404 20.467 19.000 0.105 0.000 1.281 70 A HN 1.181 nan 8.150 nan 0.000 0.402 71 H N 1.324 120.170 119.070 -0.374 0.000 2.459 71 H HA 0.670 5.226 4.556 0.000 0.000 0.332 71 H C -1.735 173.351 175.328 -0.403 0.000 1.094 71 H CA -0.362 55.508 56.048 -0.296 0.000 1.224 71 H CB 0.937 30.547 29.762 -0.253 0.000 1.449 71 H HN 0.620 nan 8.280 nan 0.000 0.484 72 Y N 1.816 121.964 120.300 -0.253 0.000 2.462 72 Y HA 0.195 4.745 4.550 0.000 0.000 0.346 72 Y C 0.277 176.026 175.900 -0.253 0.000 0.976 72 Y CA -0.798 57.191 58.100 -0.186 0.000 1.044 72 Y CB 2.257 40.761 38.460 0.073 0.000 1.230 72 Y HN 0.590 nan 8.280 nan 0.000 0.455 73 T N 0.341 114.879 114.554 -0.026 0.000 2.902 73 T HA 0.572 4.923 4.350 0.000 0.000 0.283 73 T C -0.930 173.839 174.700 0.115 0.000 1.009 73 T CA -0.810 61.298 62.100 0.013 0.000 1.051 73 T CB 1.505 70.360 68.868 -0.022 0.000 0.999 73 T HN 0.436 nan 8.240 nan 0.000 0.474 74 L N 2.291 123.508 121.223 -0.010 0.000 2.276 74 L HA 0.394 4.734 4.340 0.000 0.000 0.286 74 L C 0.116 176.900 176.870 -0.144 0.000 1.061 74 L CA 0.004 54.711 54.840 -0.222 0.000 0.807 74 L CB 0.772 42.637 42.059 -0.323 0.000 1.177 74 L HN 0.755 nan 8.230 nan 0.000 0.429 75 Q N 1.754 121.464 119.800 -0.150 0.000 2.256 75 Q HA 0.242 4.582 4.340 0.000 0.000 0.232 75 Q C 1.295 177.234 176.000 -0.102 0.000 0.965 75 Q CA 0.238 55.986 55.803 -0.091 0.000 0.908 75 Q CB 1.310 30.011 28.738 -0.062 0.000 1.209 75 Q HN 0.863 nan 8.270 nan 0.000 0.489 76 S N 0.851 116.510 115.700 -0.068 0.000 2.402 76 S HA -0.240 4.230 4.470 0.000 0.000 0.233 76 S C 1.184 175.741 174.600 -0.071 0.000 1.030 76 S CA 1.814 59.976 58.200 -0.063 0.000 1.003 76 S CB -0.495 62.679 63.200 -0.042 0.000 0.813 76 S HN 0.810 nan 8.310 nan 0.000 0.477 77 N N 1.586 120.243 118.700 -0.072 0.000 2.521 77 N HA 0.236 4.976 4.740 0.000 0.000 0.188 77 N C 1.236 176.688 175.510 -0.098 0.000 1.146 77 N CA 0.773 53.780 53.050 -0.072 0.000 0.893 77 N CB -0.714 37.737 38.487 -0.059 0.000 0.975 77 N HN 0.654 nan 8.380 nan 0.000 0.451 78 G N -1.223 107.497 108.800 -0.134 0.000 2.176 78 G HA2 -0.281 3.679 3.960 0.000 0.000 0.253 78 G HA3 -0.281 3.679 3.960 0.000 0.000 0.253 78 G C -0.378 174.372 174.900 -0.249 0.000 0.979 78 G CA 0.033 45.024 45.100 -0.182 0.000 0.641 78 G HN 0.489 nan 8.290 nan 0.000 0.530 79 N N -0.258 118.318 118.700 -0.207 0.000 2.492 79 N HA 0.595 5.335 4.740 0.000 0.000 0.289 79 N C -0.362 175.017 175.510 -0.219 0.000 1.133 79 N CA -0.347 52.588 53.050 -0.192 0.000 0.961 79 N CB 0.706 39.136 38.487 -0.096 0.000 1.186 79 N HN 0.208 nan 8.380 nan 0.000 0.493 80 Y N 0.272 120.524 120.300 -0.080 0.000 2.307 80 Y HA 0.258 4.808 4.550 0.000 0.000 0.324 80 Y C 0.895 176.851 175.900 0.094 0.000 1.238 80 Y CA -0.048 58.058 58.100 0.011 0.000 1.280 80 Y CB 1.170 39.627 38.460 -0.005 0.000 1.248 80 Y HN 0.208 nan 8.280 nan 0.000 0.508 81 K N 3.189 123.804 120.400 0.358 0.000 2.507 81 K HA 0.262 4.582 4.320 0.000 0.000 0.252 81 K C -1.464 175.337 176.600 0.335 0.000 0.943 81 K CA -0.791 55.666 56.287 0.283 0.000 0.808 81 K CB 0.854 33.430 32.500 0.126 0.000 1.142 81 K HN 0.544 nan 8.250 nan 0.000 0.426 82 F N 4.008 124.078 119.950 0.200 0.000 2.578 82 F HA -0.002 4.526 4.527 0.000 0.000 0.376 82 F C 0.814 176.517 175.800 -0.162 0.000 1.085 82 F CA 0.541 58.476 58.000 -0.109 0.000 1.260 82 F CB 0.803 39.770 39.000 -0.054 0.000 1.095 82 F HN 0.808 nan 8.300 nan 0.000 0.573 83 D N 2.529 122.280 120.400 -1.081 0.000 2.805 83 D HA 0.116 4.756 4.640 0.000 0.000 0.271 83 D C -0.527 175.003 176.300 -1.283 0.000 1.166 83 D CA 1.109 54.595 54.000 -0.856 0.000 1.004 83 D CB 0.235 40.723 40.800 -0.521 0.000 1.136 83 D HN 0.711 nan 8.370 nan 0.000 0.444 84 Q N -1.439 117.564 119.800 -1.327 0.000 2.756 84 Q HA 0.358 4.698 4.340 0.000 0.000 0.295 84 Q C -1.161 174.661 176.000 -0.297 0.000 0.903 84 Q CA -1.010 54.290 55.803 -0.839 0.000 0.768 84 Q CB 1.054 29.595 28.738 -0.329 0.000 1.472 84 Q HN -0.073 nan 8.270 nan 0.000 0.416 85 M N 1.218 120.845 119.600 0.046 0.000 2.247 85 M HA 0.466 4.946 4.480 0.000 0.000 0.326 85 M C -0.677 175.520 176.300 -0.172 0.000 1.134 85 M CA -0.366 54.966 55.300 0.053 0.000 1.136 85 M CB 0.421 33.090 32.600 0.114 0.000 1.454 85 M HN 0.639 nan 8.290 nan 0.000 0.467 86 L N 3.705 124.799 121.223 -0.215 0.000 2.325 86 L HA 0.575 4.915 4.340 0.000 0.000 0.281 86 L C -0.561 176.276 176.870 -0.054 0.000 1.004 86 L CA -0.376 54.188 54.840 -0.461 0.000 0.823 86 L CB 0.975 42.772 42.059 -0.437 0.000 1.236 86 L HN 0.580 nan 8.230 nan 0.000 0.415 87 L N 1.181 122.491 121.223 0.146 0.000 2.216 87 L HA 0.675 5.015 4.340 0.000 0.000 0.260 87 L C 0.581 177.630 176.870 0.299 0.000 1.036 87 L CA -0.828 54.141 54.840 0.215 0.000 0.914 87 L CB 1.905 44.073 42.059 0.183 0.000 1.501 87 L HN 0.542 nan 8.230 nan 0.000 0.485 88 T N -2.711 111.982 114.554 0.231 0.000 2.881 88 T HA 0.443 4.793 4.350 0.000 0.000 0.278 88 T C 1.023 175.821 174.700 0.164 0.000 0.982 88 T CA -0.100 62.131 62.100 0.219 0.000 0.989 88 T CB 1.512 70.519 68.868 0.230 0.000 1.058 88 T HN 0.628 nan 8.240 nan 0.000 0.529 89 A N 0.821 123.716 122.820 0.126 0.000 1.917 89 A HA -0.046 4.274 4.320 0.000 0.000 0.219 89 A C 1.280 178.909 177.584 0.076 0.000 1.182 89 A CA 1.615 53.697 52.037 0.075 0.000 0.633 89 A CB -0.895 18.141 19.000 0.060 0.000 0.819 89 A HN 0.975 nan 8.150 nan 0.000 0.448 90 Q N -1.456 118.399 119.800 0.092 0.000 2.399 90 Q HA 0.504 4.844 4.340 0.000 0.000 0.276 90 Q C -1.093 174.959 176.000 0.086 0.000 1.098 90 Q CA -1.001 54.852 55.803 0.083 0.000 0.827 90 Q CB 0.777 29.569 28.738 0.088 0.000 1.386 90 Q HN 0.164 nan 8.270 nan 0.000 0.443 91 N N 1.573 120.318 118.700 0.075 0.000 2.415 91 N HA 0.127 4.867 4.740 0.000 0.000 0.250 91 N C 0.454 176.009 175.510 0.074 0.000 1.127 91 N CA -0.042 53.048 53.050 0.067 0.000 0.945 91 N CB 0.348 38.868 38.487 0.056 0.000 1.196 91 N HN 0.787 nan 8.380 nan 0.000 0.499 92 L N 4.447 125.703 121.223 0.054 0.000 2.043 92 L HA -0.106 4.234 4.340 0.000 0.000 0.212 92 L C -0.674 176.275 176.870 0.130 0.000 1.075 92 L CA 1.229 56.116 54.840 0.078 0.000 0.752 92 L CB -1.107 40.869 42.059 -0.138 0.000 0.891 92 L HN 0.511 nan 8.230 nan 0.000 0.432 93 P HA -0.139 nan 4.420 nan 0.000 0.225 93 P C 1.105 178.419 177.300 0.023 0.000 1.148 93 P CA 1.312 64.433 63.100 0.034 0.000 0.779 93 P CB 0.011 31.719 31.700 0.013 0.000 0.780 94 A N -1.471 121.368 122.820 0.031 0.000 2.119 94 A HA 0.034 4.354 4.320 0.000 0.000 0.216 94 A C 2.031 179.590 177.584 -0.042 0.000 1.152 94 A CA 1.400 53.437 52.037 0.000 0.000 0.708 94 A CB -0.526 18.480 19.000 0.010 0.000 0.805 94 A HN 0.112 nan 8.150 nan 0.000 0.460 95 S N -2.487 113.182 115.700 -0.052 0.000 2.593 95 S HA 0.347 4.817 4.470 0.000 0.000 0.235 95 S C -0.447 173.816 174.600 -0.561 0.000 1.059 95 S CA -0.188 57.829 58.200 -0.306 0.000 0.953 95 S CB 0.132 63.095 63.200 -0.395 0.000 0.897 95 S HN 0.501 nan 8.310 nan 0.000 0.507 96 Y N 0.928 121.212 120.300 -0.025 0.000 2.536 96 Y HA 0.516 5.066 4.550 0.000 0.000 0.347 96 Y C 0.669 176.536 175.900 -0.055 0.000 1.000 96 Y CA -1.115 56.974 58.100 -0.018 0.000 1.051 96 Y CB 0.998 39.450 38.460 -0.014 0.000 1.259 96 Y HN -0.151 nan 8.280 nan 0.000 0.468 97 N N -0.072 118.691 118.700 0.105 0.000 2.348 97 N HA 0.093 4.833 4.740 0.000 0.000 0.183 97 N C -1.187 174.099 175.510 -0.373 0.000 1.094 97 N CA 0.448 53.419 53.050 -0.133 0.000 0.885 97 N CB 0.490 38.894 38.487 -0.138 0.000 1.065 97 N HN 0.534 nan 8.380 nan 0.000 0.472 98 Y N -1.079 119.291 120.300 0.116 0.000 2.581 98 Y HA 0.544 5.094 4.550 0.000 0.000 0.345 98 Y C -0.192 175.828 175.900 0.199 0.000 1.036 98 Y CA -1.178 57.007 58.100 0.140 0.000 1.042 98 Y CB 2.150 40.694 38.460 0.139 0.000 1.289 98 Y HN -0.119 nan 8.280 nan 0.000 0.471 99 C N 2.141 121.648 119.300 0.344 0.000 3.307 99 C HA 0.851 5.311 4.460 0.000 0.000 0.333 99 C C -1.811 173.140 174.990 -0.064 0.000 1.291 99 C CA -0.717 58.384 59.018 0.138 0.000 1.273 99 C CB 1.872 29.580 27.740 -0.052 0.000 1.580 99 C HN 1.028 nan 8.230 nan 0.000 0.481 100 R N 2.422 122.844 120.500 -0.131 0.000 2.604 100 R HA 0.709 5.049 4.340 0.000 0.000 0.281 100 R C -1.750 174.589 176.300 0.065 0.000 1.020 100 R CA -0.641 55.341 56.100 -0.195 0.000 0.899 100 R CB 1.698 31.624 30.300 -0.624 0.000 1.205 100 R HN 0.793 nan 8.270 nan 0.000 0.450 101 L N 4.520 125.812 121.223 0.115 0.000 2.305 101 L HA 0.256 4.596 4.340 0.000 0.000 0.281 101 L C 0.080 176.982 176.870 0.054 0.000 1.085 101 L CA 0.416 55.309 54.840 0.089 0.000 0.813 101 L CB 1.699 43.819 42.059 0.103 0.000 1.157 101 L HN 0.644 nan 8.230 nan 0.000 0.436 102 V N 2.523 122.434 119.914 -0.006 0.000 2.581 102 V HA 0.274 4.394 4.120 0.000 0.000 0.240 102 V C 0.558 176.737 176.094 0.141 0.000 1.054 102 V CA 1.149 63.520 62.300 0.118 0.000 1.076 102 V CB 0.216 32.106 31.823 0.111 0.000 0.748 102 V HN 0.944 nan 8.190 nan 0.000 0.474 103 S N -0.327 115.365 115.700 -0.014 0.000 2.595 103 S HA 0.746 5.216 4.470 0.000 0.000 0.270 103 S C -0.898 173.641 174.600 -0.101 0.000 1.145 103 S CA -0.890 57.296 58.200 -0.024 0.000 0.825 103 S CB 2.766 65.948 63.200 -0.030 0.000 1.107 103 S HN 0.509 nan 8.310 nan 0.000 0.461 104 R N 0.091 120.547 120.500 -0.074 0.000 2.664 104 R HA 0.666 5.006 4.340 0.000 0.000 0.260 104 R C -1.917 174.322 176.300 -0.101 0.000 1.062 104 R CA 0.097 56.139 56.100 -0.098 0.000 0.902 104 R CB 1.405 31.648 30.300 -0.095 0.000 1.258 104 R HN 1.531 nan 8.270 nan 0.000 0.465 105 S N 3.497 119.123 115.700 -0.122 0.000 2.537 105 S HA 0.755 5.225 4.470 0.000 0.000 0.270 105 S C -1.529 172.956 174.600 -0.192 0.000 1.142 105 S CA -0.812 57.281 58.200 -0.178 0.000 0.870 105 S CB 1.746 64.837 63.200 -0.182 0.000 1.112 105 S HN 0.472 nan 8.310 nan 0.000 0.466 106 L N 1.944 123.006 121.223 -0.269 0.000 2.445 106 L HA 0.739 5.079 4.340 0.000 0.000 0.262 106 L C -0.322 176.431 176.870 -0.195 0.000 0.974 106 L CA -0.522 54.169 54.840 -0.248 0.000 0.822 106 L CB 2.865 44.637 42.059 -0.479 0.000 1.339 106 L HN 1.016 nan 8.230 nan 0.000 0.409 107 T N -0.624 113.880 114.554 -0.083 0.000 2.885 107 T HA 0.838 5.188 4.350 0.000 0.000 0.285 107 T C -0.691 174.031 174.700 0.036 0.000 1.019 107 T CA -0.828 61.253 62.100 -0.033 0.000 1.010 107 T CB 1.962 70.823 68.868 -0.013 0.000 1.022 107 T HN 0.208 nan 8.240 nan 0.000 0.466 108 V N 3.616 123.568 119.914 0.063 0.000 2.483 108 V HA 0.800 4.920 4.120 0.000 0.000 0.297 108 V C -0.132 175.994 176.094 0.052 0.000 1.027 108 V CA -0.899 61.452 62.300 0.086 0.000 0.855 108 V CB 1.322 33.236 31.823 0.152 0.000 0.995 108 V HN 1.179 nan 8.190 nan 0.000 0.424 109 R N 2.105 122.618 120.500 0.021 0.000 2.716 109 R HA 0.662 5.002 4.340 0.000 0.000 0.271 109 R C -1.042 175.242 176.300 -0.026 0.000 1.028 109 R CA -0.594 55.510 56.100 0.007 0.000 0.883 109 R CB 1.759 32.072 30.300 0.020 0.000 1.250 109 R HN 0.518 nan 8.270 nan 0.000 0.465 110 S N -0.050 115.632 115.700 -0.031 0.000 2.565 110 S HA 0.188 4.658 4.470 0.000 0.000 0.274 110 S C 0.580 175.163 174.600 -0.027 0.000 1.309 110 S CA 0.121 58.291 58.200 -0.049 0.000 1.043 110 S CB 0.831 64.003 63.200 -0.046 0.000 0.939 110 S HN 0.711 nan 8.310 nan 0.000 0.504 111 S N 2.611 118.292 115.700 -0.031 0.000 2.733 111 S HA 0.319 4.789 4.470 0.000 0.000 0.247 111 S C 0.242 174.833 174.600 -0.016 0.000 1.043 111 S CA -0.392 57.797 58.200 -0.018 0.000 1.066 111 S CB 0.346 63.537 63.200 -0.015 0.000 1.045 111 S HN 0.572 nan 8.310 nan 0.000 0.586 112 T N 2.025 116.566 114.554 -0.021 0.000 2.909 112 T HA 0.718 5.068 4.350 0.000 0.000 0.299 112 T C -2.172 172.520 174.700 -0.014 0.000 1.073 112 T CA -0.457 61.633 62.100 -0.016 0.000 0.999 112 T CB 1.449 70.306 68.868 -0.017 0.000 1.098 112 T HN 0.139 nan 8.240 nan 0.000 0.477 113 L N 4.997 126.215 121.223 -0.008 0.000 2.529 113 L HA 0.386 4.726 4.340 0.000 0.000 0.258 113 L C -2.119 174.749 176.870 -0.003 0.000 1.032 113 L CA -1.523 53.314 54.840 -0.005 0.000 0.899 113 L CB 0.930 42.988 42.059 -0.002 0.000 1.174 113 L HN 0.423 nan 8.230 nan 0.000 0.458 114 P HA 0.197 nan 4.420 nan 0.000 0.279 114 P C 0.728 178.028 177.300 0.001 0.000 1.318 114 P CA -0.265 62.835 63.100 -0.000 0.000 0.819 114 P CB 1.148 32.848 31.700 0.001 0.000 0.927 115 G N 3.063 111.864 108.800 0.001 0.000 2.859 115 G HA2 0.223 4.183 3.960 0.000 0.000 0.327 115 G HA3 0.223 4.183 3.960 0.000 0.000 0.327 115 G C 0.587 175.488 174.900 0.002 0.000 0.283 115 G CA 0.481 45.582 45.100 0.001 0.000 1.236 115 G HN 0.991 nan 8.290 nan 0.000 0.291 121 N N 0.133 118.840 118.700 0.012 0.000 3.429 121 N HA 0.554 5.294 4.740 0.000 0.000 0.221 121 N C -0.617 174.905 175.510 0.019 0.000 1.195 121 N CA -0.272 52.785 53.050 0.012 0.000 0.938 121 N CB 1.973 40.465 38.487 0.009 0.000 1.609 121 N HN 1.123 nan 8.380 nan 0.000 0.704 122 G N 0.858 109.670 108.800 0.021 0.000 2.663 122 G HA2 0.223 4.183 3.960 0.000 0.000 0.686 122 G HA3 0.223 4.183 3.960 0.000 0.000 0.686 122 G C -0.543 174.392 174.900 0.058 0.000 1.246 122 G CA -0.430 44.691 45.100 0.035 0.000 0.795 122 G HN 1.358 nan 8.290 nan 0.000 0.627 123 T N -1.782 112.819 114.554 0.079 0.000 2.883 123 T HA 0.820 5.170 4.350 0.000 0.000 0.296 123 T C -0.281 174.591 174.700 0.285 0.000 1.117 123 T CA -0.835 61.357 62.100 0.153 0.000 1.006 123 T CB 2.236 71.201 68.868 0.162 0.000 1.191 123 T HN 1.089 nan 8.240 nan 0.000 0.508 124 I N 1.678 122.435 120.570 0.313 0.000 2.545 124 I HA 0.481 4.651 4.170 0.000 0.000 0.292 124 I C -0.898 175.350 176.117 0.217 0.000 1.040 124 I CA -1.001 60.502 61.300 0.339 0.000 1.068 124 I CB 2.203 40.334 38.000 0.218 0.000 1.251 124 I HN 0.571 nan 8.210 nan 0.000 0.424 125 N N 4.036 122.764 118.700 0.047 0.000 2.321 125 N HA 0.827 5.567 4.740 0.000 0.000 0.299 125 N C -1.227 174.222 175.510 -0.101 0.000 1.048 125 N CA -0.456 52.459 53.050 -0.226 0.000 0.836 125 N CB 2.348 40.363 38.487 -0.787 0.000 1.269 125 N HN 0.711 nan 8.380 nan 0.000 0.486 126 A N 0.757 123.537 122.820 -0.066 0.000 2.515 126 A HA 0.804 5.124 4.320 0.000 0.000 0.298 126 A C -1.382 176.180 177.584 -0.038 0.000 1.059 126 A CA -0.660 51.364 52.037 -0.021 0.000 0.698 126 A CB 1.521 20.544 19.000 0.038 0.000 1.289 126 A HN 0.431 nan 8.150 nan 0.000 0.404 127 V N 0.519 120.421 119.914 -0.019 0.000 3.120 127 V HA 0.756 4.877 4.120 0.000 0.000 0.303 127 V C -1.015 175.096 176.094 0.029 0.000 1.238 127 V CA -0.192 62.102 62.300 -0.011 0.000 1.008 127 V CB 2.587 34.398 31.823 -0.021 0.000 1.064 127 V HN 1.041 nan 8.190 nan 0.000 0.434 128 T N 6.150 120.726 114.554 0.036 0.000 2.772 128 T HA 0.505 4.855 4.350 0.000 0.000 0.288 128 T C -0.991 173.784 174.700 0.125 0.000 0.994 128 T CA 0.041 62.181 62.100 0.067 0.000 0.951 128 T CB 0.626 69.503 68.868 0.016 0.000 0.933 128 T HN 0.533 nan 8.240 nan 0.000 0.447 129 F N 2.918 122.858 119.950 -0.016 0.000 2.420 129 F HA 0.320 4.848 4.527 0.000 0.000 0.342 129 F C 1.168 176.969 175.800 0.002 0.000 1.113 129 F CA -0.891 57.103 58.000 -0.011 0.000 1.059 129 F CB 1.327 40.322 39.000 -0.008 0.000 1.128 129 F HN 0.500 nan 8.300 nan 0.000 0.475 130 Q N 4.141 123.606 119.800 -0.558 0.000 2.387 130 Q HA 0.186 4.526 4.340 0.000 0.000 0.211 130 Q C 0.610 176.208 176.000 -0.671 0.000 0.952 130 Q CA 0.222 55.734 55.803 -0.484 0.000 0.957 130 Q CB 0.156 28.705 28.738 -0.315 0.000 1.002 130 Q HN 0.897 nan 8.270 nan 0.000 0.502 131 G N 0.078 108.134 108.800 -1.241 0.000 3.107 131 G HA2 0.457 4.417 3.960 0.000 0.000 0.232 131 G HA3 0.457 4.417 3.960 0.000 0.000 0.232 131 G C -0.629 174.296 174.900 0.043 0.000 1.339 131 G CA -0.487 44.267 45.100 -0.576 0.000 1.033 131 G HN 0.210 nan 8.290 nan 0.000 0.567 132 S N -1.047 114.810 115.700 0.262 0.000 2.718 132 S HA 0.419 4.889 4.470 0.000 0.000 0.300 132 S C 1.203 176.018 174.600 0.358 0.000 1.117 132 S CA -0.557 57.823 58.200 0.300 0.000 1.002 132 S CB 1.638 64.971 63.200 0.220 0.000 1.092 132 S HN 0.623 nan 8.310 nan 0.000 0.542 133 L N 1.994 123.375 121.223 0.263 0.000 1.991 133 L HA -0.185 4.155 4.340 0.000 0.000 0.221 133 L C 2.570 179.512 176.870 0.120 0.000 1.079 133 L CA 2.879 57.799 54.840 0.134 0.000 0.778 133 L CB -1.515 40.589 42.059 0.074 0.000 0.893 133 L HN 1.026 nan 8.230 nan 0.000 0.437 134 S N -1.797 113.997 115.700 0.156 0.000 2.507 134 S HA -0.145 4.325 4.470 0.000 0.000 0.235 134 S C 1.617 176.292 174.600 0.124 0.000 0.988 134 S CA 1.064 59.345 58.200 0.134 0.000 0.944 134 S CB -0.679 62.581 63.200 0.100 0.000 0.762 134 S HN 0.689 nan 8.310 nan 0.000 0.526 135 E N 0.475 120.792 120.200 0.194 0.000 2.427 135 E HA 0.203 4.553 4.350 0.000 0.000 0.196 135 E C -0.048 176.634 176.600 0.137 0.000 1.028 135 E CA -0.132 56.411 56.400 0.238 0.000 0.864 135 E CB -0.119 29.809 29.700 0.379 0.000 0.813 135 E HN 0.554 nan 8.360 nan 0.000 0.514 136 L N 1.535 122.677 121.223 -0.135 0.000 2.490 136 L HA -0.033 4.307 4.340 0.000 0.000 0.274 136 L C 1.768 178.541 176.870 -0.161 0.000 1.201 136 L CA 0.216 54.786 54.840 -0.449 0.000 0.869 136 L CB 0.739 42.475 42.059 -0.539 0.000 1.123 136 L HN 0.153 nan 8.230 nan 0.000 0.484 137 T N -2.582 111.891 114.554 -0.135 0.000 3.067 137 T HA 0.037 4.387 4.350 0.000 0.000 0.257 137 T C 0.279 174.946 174.700 -0.055 0.000 1.105 137 T CA 0.040 62.109 62.100 -0.052 0.000 1.104 137 T CB 0.155 69.014 68.868 -0.015 0.000 0.925 137 T HN 0.551 nan 8.240 nan 0.000 0.498 138 D N 0.801 121.151 120.400 -0.084 0.000 2.891 138 D HA 0.250 4.890 4.640 0.000 0.000 0.224 138 D C 0.058 176.325 176.300 -0.054 0.000 1.321 138 D CA -0.632 53.339 54.000 -0.049 0.000 0.929 138 D CB 2.293 43.071 40.800 -0.038 0.000 1.551 138 D HN 0.087 nan 8.370 nan 0.000 0.574 139 V N 1.413 121.333 119.914 0.010 0.000 3.085 139 V HA 0.335 4.455 4.120 0.000 0.000 0.345 139 V C 0.644 176.815 176.094 0.129 0.000 1.397 139 V CA -0.047 62.279 62.300 0.044 0.000 1.165 139 V CB -0.461 31.432 31.823 0.116 0.000 1.153 139 V HN 0.444 nan 8.190 nan 0.000 0.495 140 S N -0.850 114.905 115.700 0.092 0.000 2.603 140 S HA 0.333 4.803 4.470 0.000 0.000 0.268 140 S C 0.809 175.472 174.600 0.104 0.000 1.317 140 S CA 0.151 58.422 58.200 0.119 0.000 1.012 140 S CB 0.864 64.106 63.200 0.070 0.000 0.926 140 S HN 0.459 nan 8.310 nan 0.000 0.539 141 Y N 2.375 122.695 120.300 0.033 0.000 2.069 141 Y HA -0.277 4.273 4.550 0.000 0.000 0.278 141 Y C 2.112 178.020 175.900 0.013 0.000 1.175 141 Y CA 2.582 60.694 58.100 0.019 0.000 1.134 141 Y CB -0.502 37.962 38.460 0.007 0.000 0.965 141 Y HN 0.714 nan 8.280 nan 0.000 0.498 142 N N -0.260 118.492 118.700 0.087 0.000 2.300 142 N HA -0.062 4.679 4.740 0.000 0.000 0.179 142 N C 2.025 177.504 175.510 -0.051 0.000 1.016 142 N CA 1.081 54.124 53.050 -0.011 0.000 0.876 142 N CB -0.734 37.811 38.487 0.095 0.000 0.979 142 N HN 0.545 nan 8.380 nan 0.000 0.432 143 G N 1.957 110.744 108.800 -0.023 0.000 2.450 143 G HA2 -0.171 3.789 3.960 0.000 0.000 0.220 143 G HA3 -0.171 3.789 3.960 0.000 0.000 0.220 143 G C 1.664 176.526 174.900 -0.063 0.000 1.130 143 G CA 0.291 45.371 45.100 -0.033 0.000 0.760 143 G HN 0.215 nan 8.290 nan 0.000 0.557 144 L N 0.117 121.284 121.223 -0.092 0.000 2.129 144 L HA -0.129 4.211 4.340 0.000 0.000 0.212 144 L C 2.824 179.637 176.870 -0.095 0.000 1.087 144 L CA 0.655 55.429 54.840 -0.110 0.000 0.757 144 L CB -0.422 41.553 42.059 -0.139 0.000 0.896 144 L HN 0.167 nan 8.230 nan 0.000 0.434 145 M N -0.921 118.616 119.600 -0.104 0.000 2.530 145 M HA -0.126 4.354 4.480 0.000 0.000 0.261 145 M C 1.782 178.054 176.300 -0.047 0.000 1.067 145 M CA 1.254 56.505 55.300 -0.082 0.000 1.071 145 M CB -0.986 31.563 32.600 -0.085 0.000 1.405 145 M HN 0.142 nan 8.290 nan 0.000 0.478 146 S N -0.474 115.204 115.700 -0.037 0.000 2.539 146 S HA 0.320 4.790 4.470 0.000 0.000 0.221 146 S C 1.794 176.400 174.600 0.011 0.000 0.987 146 S CA 0.309 58.501 58.200 -0.014 0.000 0.929 146 S CB 0.201 63.394 63.200 -0.012 0.000 0.832 146 S HN 0.484 nan 8.310 nan 0.000 0.492 147 A N 1.496 124.322 122.820 0.010 0.000 2.024 147 A HA 0.033 4.353 4.320 0.000 0.000 0.220 147 A C 1.348 179.041 177.584 0.181 0.000 1.164 147 A CA 1.461 53.544 52.037 0.077 0.000 0.643 147 A CB -0.151 18.858 19.000 0.014 0.000 0.806 147 A HN 0.410 nan 8.150 nan 0.000 0.451 148 T N -3.926 110.683 114.554 0.093 0.000 2.896 148 T HA 0.563 4.913 4.350 0.000 0.000 0.297 148 T C 0.295 175.004 174.700 0.015 0.000 1.108 148 T CA 0.092 62.229 62.100 0.061 0.000 1.004 148 T CB 1.749 70.643 68.868 0.043 0.000 1.159 148 T HN 0.436 nan 8.240 nan 0.000 0.499 149 A N 2.518 125.337 122.820 -0.002 0.000 2.267 149 A HA 0.332 4.652 4.320 0.000 0.000 0.213 149 A C 0.585 178.149 177.584 -0.032 0.000 1.192 149 A CA -0.133 51.894 52.037 -0.016 0.000 0.851 149 A CB -0.167 18.824 19.000 -0.015 0.000 0.881 149 A HN 0.707 nan 8.150 nan 0.000 0.494 150 N N 0.798 119.473 118.700 -0.040 0.000 2.420 150 N HA 0.108 4.848 4.740 0.000 0.000 0.262 150 N C 0.578 176.044 175.510 -0.074 0.000 1.144 150 N CA -0.237 52.777 53.050 -0.060 0.000 0.952 150 N CB 1.207 39.652 38.487 -0.069 0.000 1.081 150 N HN 0.200 nan 8.380 nan 0.000 0.480 151 I N 2.225 122.746 120.570 -0.080 0.000 2.567 151 I HA -0.132 4.038 4.170 0.000 0.000 0.257 151 I C 0.985 177.021 176.117 -0.134 0.000 1.184 151 I CA 1.137 62.382 61.300 -0.092 0.000 1.451 151 I CB -0.148 37.803 38.000 -0.083 0.000 1.089 151 I HN 0.387 nan 8.210 nan 0.000 0.441 152 N N 0.550 119.154 118.700 -0.159 0.000 2.314 152 N HA 0.017 4.757 4.740 0.000 0.000 0.200 152 N C 0.094 175.463 175.510 -0.236 0.000 1.135 152 N CA 0.351 53.258 53.050 -0.238 0.000 0.835 152 N CB 0.110 38.439 38.487 -0.262 0.000 0.989 152 N HN 0.371 nan 8.380 nan 0.000 0.478 153 D N 0.315 120.620 120.400 -0.158 0.000 2.535 153 D HA 0.092 4.732 4.640 0.000 0.000 0.229 153 D C 0.026 176.274 176.300 -0.087 0.000 1.238 153 D CA 0.177 54.105 54.000 -0.120 0.000 0.824 153 D CB 0.806 41.559 40.800 -0.080 0.000 1.045 153 D HN 0.376 nan 8.370 nan 0.000 0.500 154 K N -0.295 120.043 120.400 -0.103 0.000 2.532 154 K HA 0.678 4.998 4.320 0.000 0.000 0.265 154 K C -1.476 175.071 176.600 -0.088 0.000 0.948 154 K CA -0.927 55.313 56.287 -0.078 0.000 0.842 154 K CB 2.600 35.060 32.500 -0.065 0.000 1.392 154 K HN -0.149 nan 8.250 nan 0.000 0.436 155 I N 0.513 121.043 120.570 -0.066 0.000 2.692 155 I HA 0.537 4.707 4.170 0.000 0.000 0.293 155 I C -1.264 174.831 176.117 -0.037 0.000 1.200 155 I CA -0.008 61.264 61.300 -0.047 0.000 1.036 155 I CB 2.443 40.429 38.000 -0.024 0.000 1.258 155 I HN 0.883 nan 8.210 nan 0.000 0.421 156 G N 3.952 112.739 108.800 -0.021 0.000 2.495 156 G HA2 0.406 4.366 3.960 0.000 0.000 0.318 156 G HA3 0.406 4.366 3.960 0.000 0.000 0.318 156 G C -0.532 174.393 174.900 0.043 0.000 1.257 156 G CA -0.584 44.508 45.100 -0.013 0.000 0.962 156 G HN 0.670 nan 8.290 nan 0.000 0.483 157 N N -0.676 118.081 118.700 0.095 0.000 2.714 157 N HA -0.164 4.576 4.740 0.000 0.000 0.252 157 N C 0.319 175.900 175.510 0.119 0.000 1.014 157 N CA 0.623 53.767 53.050 0.157 0.000 0.735 157 N CB -0.903 37.666 38.487 0.136 0.000 0.924 157 N HN 0.383 nan 8.380 nan 0.000 0.540 158 V N 0.965 120.949 119.914 0.117 0.000 2.686 158 V HA 0.124 4.244 4.120 0.000 0.000 0.295 158 V C 1.295 177.452 176.094 0.106 0.000 1.055 158 V CA -0.565 61.795 62.300 0.100 0.000 1.050 158 V CB 1.196 33.078 31.823 0.098 0.000 0.984 158 V HN 0.173 nan 8.190 nan 0.000 0.482 159 L N 5.195 126.468 121.223 0.083 0.000 2.462 159 L HA 0.075 4.415 4.340 0.000 0.000 0.272 159 L C 1.512 178.425 176.870 0.071 0.000 1.166 159 L CA -0.109 54.775 54.840 0.073 0.000 0.880 159 L CB 1.080 43.172 42.059 0.055 0.000 1.142 159 L HN 0.708 nan 8.230 nan 0.000 0.473 160 V N 1.597 121.553 119.914 0.070 0.000 2.453 160 V HA -0.224 3.896 4.120 0.000 0.000 0.252 160 V C 2.220 178.333 176.094 0.032 0.000 1.068 160 V CA 2.023 64.355 62.300 0.053 0.000 1.070 160 V CB -1.373 30.467 31.823 0.027 0.000 0.664 160 V HN 1.036 nan 8.190 nan 0.000 0.461 161 G N -0.377 108.440 108.800 0.029 0.000 2.422 161 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 161 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 161 G C 1.485 176.403 174.900 0.030 0.000 1.140 161 G CA 0.842 45.955 45.100 0.022 0.000 0.775 161 G HN 0.607 nan 8.290 nan 0.000 0.545 162 E N -0.388 119.837 120.200 0.041 0.000 2.076 162 E HA 0.302 4.653 4.350 0.000 0.000 0.190 162 E C 1.437 178.070 176.600 0.055 0.000 0.979 162 E CA 0.313 56.742 56.400 0.048 0.000 0.807 162 E CB 0.009 29.743 29.700 0.056 0.000 0.761 162 E HN 0.464 nan 8.360 nan 0.000 0.454 163 G N 0.131 108.968 108.800 0.061 0.000 2.746 163 G HA2 -0.186 3.774 3.960 0.000 0.000 0.685 163 G HA3 -0.186 3.774 3.960 0.000 0.000 0.685 163 G C -0.859 174.091 174.900 0.083 0.000 1.350 163 G CA -0.502 44.638 45.100 0.066 0.000 0.837 163 G HN 0.167 nan 8.290 nan 0.000 0.564 164 V N 0.369 120.334 119.914 0.084 0.000 2.823 164 V HA 0.847 4.967 4.120 0.000 0.000 0.312 164 V C 0.322 176.447 176.094 0.052 0.000 1.072 164 V CA -0.123 62.233 62.300 0.093 0.000 0.937 164 V CB 2.458 34.345 31.823 0.107 0.000 1.013 164 V HN 1.196 nan 8.190 nan 0.000 0.430 165 T N 3.536 118.112 114.554 0.036 0.000 2.792 165 T HA 0.526 4.876 4.350 0.000 0.000 0.280 165 T C -0.639 174.018 174.700 -0.072 0.000 0.990 165 T CA -0.302 61.730 62.100 -0.114 0.000 0.960 165 T CB 1.525 70.160 68.868 -0.388 0.000 0.939 165 T HN 0.344 nan 8.240 nan 0.000 0.439 166 V N 4.680 124.498 119.914 -0.161 0.000 2.383 166 V HA 0.491 4.611 4.120 0.000 0.000 0.275 166 V C -0.305 175.678 176.094 -0.186 0.000 1.036 166 V CA -0.705 61.507 62.300 -0.147 0.000 0.889 166 V CB 1.215 32.865 31.823 -0.288 0.000 0.985 166 V HN 0.663 nan 8.190 nan 0.000 0.459 167 L N 4.736 125.918 121.223 -0.068 0.000 2.341 167 L HA 0.592 4.932 4.340 0.000 0.000 0.278 167 L C 0.181 177.038 176.870 -0.021 0.000 1.005 167 L CA 0.351 55.153 54.840 -0.063 0.000 0.818 167 L CB 2.124 44.221 42.059 0.064 0.000 1.259 167 L HN 0.584 nan 8.230 nan 0.000 0.418 168 S N 5.335 121.015 115.700 -0.033 0.000 2.448 168 S HA 0.554 5.024 4.470 0.000 0.000 0.279 168 S C -0.409 174.202 174.600 0.018 0.000 1.195 168 S CA -0.473 57.723 58.200 -0.007 0.000 1.051 168 S CB -0.311 62.884 63.200 -0.008 0.000 0.948 168 S HN 0.556 nan 8.310 nan 0.000 0.493 169 L N 6.863 128.092 121.223 0.010 0.000 2.325 169 L HA 0.525 4.865 4.340 0.000 0.000 0.278 169 L C -1.656 175.200 176.870 -0.023 0.000 1.023 169 L CA -2.276 52.569 54.840 0.009 0.000 0.811 169 L CB 1.272 43.324 42.059 -0.011 0.000 1.249 169 L HN 0.500 nan 8.230 nan 0.000 0.431 170 P HA -0.007 nan 4.420 nan 0.000 0.265 170 P C -0.520 176.645 177.300 -0.225 0.000 1.187 170 P CA 0.010 62.990 63.100 -0.200 0.000 0.766 170 P CB 0.507 31.909 31.700 -0.496 0.000 0.820 171 T N 0.099 114.512 114.554 -0.235 0.000 3.444 171 T HA 0.381 4.732 4.350 0.000 0.000 0.265 171 T C -0.223 174.320 174.700 -0.262 0.000 1.537 171 T CA -0.225 61.755 62.100 -0.199 0.000 1.530 171 T CB -0.639 68.148 68.868 -0.134 0.000 0.958 171 T HN 0.770 nan 8.240 nan 0.000 0.684 172 S N 0.648 116.135 115.700 -0.355 0.000 3.054 172 S HA -0.100 4.370 4.470 0.000 0.000 0.850 172 S C -1.081 173.263 174.600 -0.428 0.000 0.982 172 S CA -0.674 57.324 58.200 -0.337 0.000 1.324 172 S CB -0.627 62.440 63.200 -0.221 0.000 0.940 172 S HN 0.551 nan 8.310 nan 0.000 0.242 173 Y N 1.363 121.632 120.300 -0.052 0.000 2.730 173 Y HA 0.483 5.033 4.550 0.000 0.000 0.325 173 Y C 1.083 176.948 175.900 -0.058 0.000 1.132 173 Y CA -0.386 57.683 58.100 -0.052 0.000 1.206 173 Y CB 0.702 39.136 38.460 -0.043 0.000 1.390 173 Y HN 0.817 nan 8.280 nan 0.000 0.555 174 D N 0.818 121.318 120.400 0.166 0.000 2.837 174 D HA -0.187 4.453 4.640 0.000 0.000 0.230 174 D C -0.988 175.342 176.300 0.049 0.000 1.152 174 D CA 0.756 54.802 54.000 0.076 0.000 0.736 174 D CB -1.050 39.785 40.800 0.059 0.000 1.084 174 D HN 0.271 nan 8.370 nan 0.000 0.429 175 L N -0.044 121.206 121.223 0.044 0.000 2.418 175 L HA 0.439 4.779 4.340 0.000 0.000 0.265 175 L C 1.795 178.742 176.870 0.127 0.000 1.143 175 L CA 0.028 54.880 54.840 0.019 0.000 0.809 175 L CB 0.960 42.996 42.059 -0.039 0.000 1.124 175 L HN 0.048 nan 8.230 nan 0.000 0.456 176 G N 0.447 109.385 108.800 0.230 0.000 2.580 176 G HA2 0.243 4.203 3.960 0.000 0.000 0.278 176 G HA3 0.243 4.203 3.960 0.000 0.000 0.278 176 G C -1.022 174.035 174.900 0.261 0.000 1.212 176 G CA -0.350 44.903 45.100 0.255 0.000 0.939 176 G HN 0.319 nan 8.290 nan 0.000 0.513 177 Y N -1.102 119.261 120.300 0.105 0.000 2.397 177 Y HA 0.325 4.875 4.550 0.000 0.000 0.335 177 Y C 0.825 176.780 175.900 0.091 0.000 1.213 177 Y CA 0.011 58.167 58.100 0.094 0.000 1.391 177 Y CB 1.301 39.808 38.460 0.077 0.000 1.293 177 Y HN 0.148 nan 8.280 nan 0.000 0.557 178 V N 4.089 124.065 119.914 0.104 0.000 2.483 178 V HA 0.390 4.510 4.120 0.000 0.000 0.295 178 V C -0.108 176.004 176.094 0.030 0.000 1.035 178 V CA -1.179 61.074 62.300 -0.079 0.000 0.896 178 V CB 1.567 33.107 31.823 -0.471 0.000 0.986 178 V HN 0.564 nan 8.190 nan 0.000 0.447 179 R N 2.742 123.207 120.500 -0.059 0.000 2.491 179 R HA 0.286 4.626 4.340 0.000 0.000 0.283 179 R C 0.545 176.707 176.300 -0.231 0.000 1.072 179 R CA 0.181 56.075 56.100 -0.343 0.000 1.048 179 R CB 0.323 30.453 30.300 -0.284 0.000 0.983 179 R HN 0.697 nan 8.270 nan 0.000 0.450 180 L N 3.210 124.291 121.223 -0.237 0.000 2.599 180 L HA 0.214 4.554 4.340 0.000 0.000 0.230 180 L C 1.078 177.907 176.870 -0.069 0.000 1.141 180 L CA 0.767 55.534 54.840 -0.122 0.000 0.877 180 L CB 0.077 42.086 42.059 -0.083 0.000 1.009 180 L HN 1.095 nan 8.230 nan 0.000 0.447 181 G N 0.612 109.358 108.800 -0.090 0.000 2.149 181 G HA2 -0.238 3.722 3.960 0.000 0.000 0.235 181 G HA3 -0.238 3.722 3.960 0.000 0.000 0.235 181 G C -0.037 174.836 174.900 -0.044 0.000 1.018 181 G CA 0.184 45.255 45.100 -0.048 0.000 0.728 181 G HN 0.541 nan 8.290 nan 0.000 0.508 182 D N 0.414 120.770 120.400 -0.073 0.000 2.399 182 D HA 0.343 4.983 4.640 0.000 0.000 0.241 182 D C -2.101 174.170 176.300 -0.048 0.000 1.133 182 D CA -1.242 52.724 54.000 -0.058 0.000 0.890 182 D CB 1.493 42.245 40.800 -0.081 0.000 1.201 182 D HN 0.249 nan 8.370 nan 0.000 0.432 183 P HA 0.188 nan 4.420 nan 0.000 0.275 183 P C -0.042 177.240 177.300 -0.031 0.000 1.228 183 P CA -0.374 62.709 63.100 -0.027 0.000 0.786 183 P CB 1.039 32.728 31.700 -0.019 0.000 0.927 184 I N -0.463 120.091 120.570 -0.027 0.000 2.750 184 I HA 0.616 4.786 4.170 0.000 0.000 0.308 184 I C -2.559 173.547 176.117 -0.018 0.000 1.016 184 I CA -3.447 57.838 61.300 -0.025 0.000 1.098 184 I CB 1.189 39.174 38.000 -0.025 0.000 1.279 184 I HN 0.044 nan 8.210 nan 0.000 0.454 185 P HA 0.366 nan 4.420 nan 0.000 0.267 185 P C -0.967 176.326 177.300 -0.011 0.000 1.209 185 P CA 0.081 63.173 63.100 -0.013 0.000 0.763 185 P CB 0.673 32.366 31.700 -0.011 0.000 0.816 186 A N 3.454 126.269 122.820 -0.010 0.000 2.594 186 A HA 0.738 5.058 4.320 0.000 0.000 0.296 186 A C -1.037 176.543 177.584 -0.007 0.000 1.061 186 A CA -0.683 51.349 52.037 -0.008 0.000 0.689 186 A CB 1.106 20.100 19.000 -0.009 0.000 1.280 186 A HN 0.576 nan 8.150 nan 0.000 0.406 187 I N -0.796 119.771 120.570 -0.006 0.000 2.647 187 I HA 0.972 5.142 4.170 0.000 0.000 0.295 187 I C -0.036 176.079 176.117 -0.004 0.000 1.078 187 I CA -0.812 60.485 61.300 -0.005 0.000 1.048 187 I CB 2.346 40.344 38.000 -0.004 0.000 1.239 187 I HN 0.971 nan 8.210 nan 0.000 0.421 188 G N 4.094 112.892 108.800 -0.003 0.000 2.692 188 G HA2 0.488 4.448 3.960 0.000 0.000 0.291 188 G HA3 0.488 4.448 3.960 0.000 0.000 0.291 188 G C -0.124 174.775 174.900 -0.003 0.000 1.423 188 G CA -0.884 44.214 45.100 -0.003 0.000 0.843 188 G HN 0.721 nan 8.290 nan 0.000 0.486 189 L N -0.418 120.803 121.223 -0.002 0.000 2.141 189 L HA 0.072 4.412 4.340 0.000 0.000 0.209 189 L C 0.884 177.753 176.870 -0.002 0.000 1.094 189 L CA 0.673 55.512 54.840 -0.002 0.000 0.763 189 L CB 0.101 42.158 42.059 -0.002 0.000 0.908 189 L HN 0.379 nan 8.230 nan 0.000 0.437 190 D N 0.475 120.873 120.400 -0.002 0.000 2.277 190 D HA 0.079 4.719 4.640 0.000 0.000 0.249 190 D C -1.524 174.775 176.300 -0.001 0.000 1.134 190 D CA -1.862 52.137 54.000 -0.002 0.000 0.863 190 D CB 1.734 42.533 40.800 -0.002 0.000 1.143 190 D HN -0.038 nan 8.370 nan 0.000 0.458 191 P HA -0.043 nan 4.420 nan 0.000 0.229 191 P C 0.635 177.936 177.300 0.001 0.000 1.160 191 P CA 0.586 63.686 63.100 0.000 0.000 0.777 191 P CB 0.515 32.216 31.700 0.001 0.000 0.814 192 K N -1.004 119.397 120.400 0.001 0.000 2.444 192 K HA 0.133 4.453 4.320 0.000 0.000 0.193 192 K C 1.316 177.917 176.600 0.001 0.000 1.024 192 K CA -0.232 56.056 56.287 0.002 0.000 1.077 192 K CB -0.127 32.374 32.500 0.002 0.000 0.833 192 K HN 0.205 nan 8.250 nan 0.000 0.517 193 M N 2.068 121.668 119.600 -0.000 0.000 2.250 193 M HA 0.003 4.483 4.480 0.000 0.000 0.337 193 M C -0.857 175.443 176.300 -0.001 0.000 1.161 193 M CA 0.811 56.111 55.300 -0.001 0.000 1.088 193 M CB 0.533 33.132 32.600 -0.002 0.000 1.639 193 M HN -0.231 nan 8.290 nan 0.000 0.447 194 V N 4.037 123.950 119.914 -0.002 0.000 2.760 194 V HA 0.805 4.925 4.120 0.000 0.000 0.309 194 V C -0.739 175.352 176.094 -0.006 0.000 1.077 194 V CA -0.895 61.404 62.300 -0.002 0.000 0.910 194 V CB 1.672 33.495 31.823 0.000 0.000 1.008 194 V HN 0.970 nan 8.190 nan 0.000 0.424 195 A N 2.971 125.785 122.820 -0.009 0.000 2.381 195 A HA 0.957 5.277 4.320 0.000 0.000 0.299 195 A C -0.266 177.306 177.584 -0.020 0.000 1.049 195 A CA -0.199 51.830 52.037 -0.014 0.000 0.715 195 A CB 1.840 20.831 19.000 -0.014 0.000 1.222 195 A HN 1.056 nan 8.150 nan 0.000 0.428 196 T N -2.098 112.440 114.554 -0.026 0.000 2.865 196 T HA 0.611 4.961 4.350 0.000 0.000 0.294 196 T C -0.784 173.886 174.700 -0.050 0.000 1.119 196 T CA -0.737 61.341 62.100 -0.035 0.000 1.007 196 T CB 1.390 70.240 68.868 -0.029 0.000 1.225 196 T HN 1.240 nan 8.240 nan 0.000 0.515 197 C N 2.271 121.531 119.300 -0.066 0.000 2.293 197 C HA 0.640 5.100 4.460 0.000 0.000 0.323 197 C C -0.725 174.206 174.990 -0.097 0.000 1.240 197 C CA -0.480 58.488 59.018 -0.083 0.000 1.497 197 C CB -1.152 26.533 27.740 -0.093 0.000 2.171 197 C HN 0.865 nan 8.230 nan 0.000 0.465 198 D N 2.888 123.231 120.400 -0.095 0.000 2.294 198 D HA 0.277 4.917 4.640 0.000 0.000 0.250 198 D C 0.046 176.302 176.300 -0.074 0.000 1.058 198 D CA 0.095 54.047 54.000 -0.080 0.000 0.950 198 D CB 1.374 42.129 40.800 -0.076 0.000 1.158 198 D HN 0.542 nan 8.370 nan 0.000 0.453 199 S N -0.057 115.612 115.700 -0.052 0.000 2.515 199 S HA 0.150 4.621 4.470 0.000 0.000 0.285 199 S C 1.072 175.676 174.600 0.006 0.000 1.265 199 S CA -0.208 57.957 58.200 -0.058 0.000 1.079 199 S CB 0.280 63.428 63.200 -0.088 0.000 0.877 199 S HN 0.521 nan 8.310 nan 0.000 0.493 200 S N 1.392 117.102 115.700 0.017 0.000 3.019 200 S HA 0.131 4.602 4.470 0.000 0.000 0.258 200 S C -0.303 174.351 174.600 0.090 0.000 1.082 200 S CA -0.506 57.733 58.200 0.066 0.000 0.836 200 S CB -0.425 62.786 63.200 0.017 0.000 0.834 200 S HN 0.550 nan 8.310 nan 0.000 0.457 201 D N 3.285 123.735 120.400 0.083 0.000 2.548 201 D HA 0.233 4.873 4.640 0.000 0.000 0.231 201 D C 0.177 176.552 176.300 0.125 0.000 1.142 201 D CA 0.737 54.800 54.000 0.106 0.000 0.866 201 D CB -0.006 40.874 40.800 0.133 0.000 1.190 201 D HN 0.170 nan 8.370 nan 0.000 0.469 202 R N -0.558 120.003 120.500 0.102 0.000 3.184 202 R HA -0.104 4.236 4.340 0.000 0.000 0.257 202 R C -2.457 173.883 176.300 0.066 0.000 0.999 202 R CA 0.018 56.168 56.100 0.084 0.000 0.670 202 R CB -1.894 28.480 30.300 0.124 0.000 1.197 202 R HN 0.456 nan 8.270 nan 0.000 0.419 203 P HA 0.082 nan 4.420 nan 0.000 0.272 203 P C -0.244 177.038 177.300 -0.029 0.000 1.230 203 P CA -0.107 63.011 63.100 0.030 0.000 0.788 203 P CB 0.742 32.468 31.700 0.042 0.000 0.949 204 R N 1.155 121.615 120.500 -0.067 0.000 2.474 204 R HA 0.559 4.899 4.340 0.000 0.000 0.295 204 R C -1.432 174.749 176.300 -0.198 0.000 0.980 204 R CA -0.751 55.253 56.100 -0.160 0.000 0.934 204 R CB 1.003 31.191 30.300 -0.186 0.000 1.101 204 R HN 0.269 nan 8.270 nan 0.000 0.469 205 V N 4.979 124.731 119.914 -0.270 0.000 2.577 205 V HA 0.366 4.486 4.120 0.000 0.000 0.303 205 V C -1.365 174.567 176.094 -0.270 0.000 1.042 205 V CA -0.699 61.484 62.300 -0.195 0.000 0.872 205 V CB 1.623 33.385 31.823 -0.102 0.000 0.998 205 V HN 0.706 nan 8.190 nan 0.000 0.423 206 Y N 1.768 122.042 120.300 -0.044 0.000 2.341 206 Y HA 0.590 5.141 4.550 0.000 0.000 0.337 206 Y C 0.720 176.577 175.900 -0.073 0.000 1.014 206 Y CA -0.495 57.577 58.100 -0.047 0.000 1.111 206 Y CB 2.177 40.615 38.460 -0.035 0.000 1.194 206 Y HN 0.503 nan 8.280 nan 0.000 0.462 207 T N 5.549 120.145 114.554 0.069 0.000 2.786 207 T HA 0.585 4.935 4.350 0.000 0.000 0.283 207 T C -0.529 174.124 174.700 -0.078 0.000 0.992 207 T CA -0.499 61.586 62.100 -0.026 0.000 0.954 207 T CB 0.228 69.070 68.868 -0.042 0.000 0.934 207 T HN 0.377 nan 8.240 nan 0.000 0.440 208 I N 2.794 123.261 120.570 -0.172 0.000 2.410 208 I HA 0.277 4.447 4.170 0.000 0.000 0.286 208 I C 0.165 176.073 176.117 -0.349 0.000 1.009 208 I CA -0.686 60.432 61.300 -0.302 0.000 1.111 208 I CB 1.943 39.643 38.000 -0.499 0.000 1.262 208 I HN 0.447 nan 8.210 nan 0.000 0.443 209 T N 5.618 120.005 114.554 -0.279 0.000 2.891 209 T HA 0.266 4.616 4.350 0.000 0.000 0.315 209 T C 1.108 175.637 174.700 -0.285 0.000 1.054 209 T CA -0.287 61.673 62.100 -0.233 0.000 0.958 209 T CB 1.267 70.050 68.868 -0.143 0.000 1.008 209 T HN 0.760 nan 8.240 nan 0.000 0.521 210 A N 2.995 125.603 122.820 -0.354 0.000 2.014 210 A HA 0.572 4.893 4.320 0.000 0.000 0.218 210 A C 1.206 178.712 177.584 -0.129 0.000 1.163 210 A CA 0.627 52.472 52.037 -0.320 0.000 0.652 210 A CB 0.094 18.939 19.000 -0.259 0.000 0.808 210 A HN 0.886 nan 8.150 nan 0.000 0.449 211 A N -0.906 121.853 122.820 -0.101 0.000 2.566 211 A HA 0.543 4.863 4.320 0.000 0.000 0.297 211 A C -1.929 175.648 177.584 -0.012 0.000 1.059 211 A CA -0.310 51.717 52.037 -0.018 0.000 0.691 211 A CB 1.060 20.082 19.000 0.037 0.000 1.282 211 A HN 0.027 nan 8.150 nan 0.000 0.401 212 D N 2.023 122.448 120.400 0.042 0.000 2.400 212 D HA 0.416 5.056 4.640 0.000 0.000 0.272 212 D C -0.602 175.743 176.300 0.074 0.000 1.220 212 D CA 0.315 54.333 54.000 0.030 0.000 0.897 212 D CB 0.282 41.092 40.800 0.017 0.000 1.134 212 D HN 0.465 nan 8.370 nan 0.000 0.507 213 D N 1.678 122.122 120.400 0.074 0.000 2.800 213 D HA -0.282 4.358 4.640 0.000 0.000 0.232 213 D C -0.507 175.882 176.300 0.147 0.000 1.137 213 D CA 0.445 54.502 54.000 0.095 0.000 0.718 213 D CB -1.702 39.141 40.800 0.072 0.000 1.084 213 D HN 0.489 nan 8.370 nan 0.000 0.432 214 Y N 1.285 121.634 120.300 0.081 0.000 2.526 214 Y HA 0.185 4.736 4.550 0.000 0.000 0.330 214 Y C 0.441 176.422 175.900 0.135 0.000 1.156 214 Y CA 0.211 58.379 58.100 0.113 0.000 1.419 214 Y CB 0.600 39.157 38.460 0.163 0.000 1.250 214 Y HN -0.077 nan 8.280 nan 0.000 0.540 215 Q N 7.991 127.386 119.800 -0.675 0.000 2.360 215 Q HA 0.174 4.514 4.340 0.000 0.000 0.254 215 Q C -1.326 174.078 176.000 -0.993 0.000 0.975 215 Q CA -0.414 55.024 55.803 -0.609 0.000 0.912 215 Q CB 1.214 29.745 28.738 -0.345 0.000 1.212 215 Q HN 0.717 nan 8.270 nan 0.000 0.452 216 F N 1.509 120.808 119.950 -1.085 0.000 2.420 216 F HA 0.525 5.052 4.527 0.000 0.000 0.342 216 F C -0.509 174.861 175.800 -0.718 0.000 1.113 216 F CA -0.450 56.897 58.000 -1.087 0.000 1.059 216 F CB 1.527 39.349 39.000 -1.963 0.000 1.128 216 F HN 0.306 nan 8.300 nan 0.000 0.475 217 S N 4.308 119.181 115.700 -1.380 0.000 2.603 217 S HA 0.621 5.091 4.470 0.000 0.000 0.274 217 S C -1.409 172.622 174.600 -0.949 0.000 1.168 217 S CA -0.443 57.139 58.200 -1.030 0.000 0.963 217 S CB 1.150 64.046 63.200 -0.507 0.000 1.078 217 S HN 0.966 nan 8.310 nan 0.000 0.477 218 S N 3.174 118.415 115.700 -0.765 0.000 2.550 218 S HA 0.475 4.945 4.470 0.000 0.000 0.270 218 S C -1.504 173.003 174.600 -0.155 0.000 1.145 218 S CA -0.532 57.431 58.200 -0.395 0.000 0.852 218 S CB 1.791 64.789 63.200 -0.337 0.000 1.119 218 S HN 0.777 nan 8.310 nan 0.000 0.465 219 Q N 1.823 121.582 119.800 -0.069 0.000 2.354 219 Q HA 0.206 4.546 4.340 0.000 0.000 0.244 219 Q C -0.673 175.375 176.000 0.081 0.000 0.969 219 Q CA -0.263 55.551 55.803 0.019 0.000 0.885 219 Q CB 0.471 29.223 28.738 0.024 0.000 1.241 219 Q HN 0.792 nan 8.270 nan 0.000 0.461 220 Y N 1.968 122.282 120.300 0.023 0.000 2.641 220 Y HA -0.095 4.455 4.550 0.000 0.000 0.351 220 Y C -0.484 175.442 175.900 0.043 0.000 1.269 220 Y CA 0.936 59.064 58.100 0.048 0.000 1.485 220 Y CB 0.538 39.022 38.460 0.041 0.000 1.364 220 Y HN 0.642 nan 8.280 nan 0.000 0.651 221 Q N 1.842 120.954 119.800 -1.146 0.000 2.468 221 Q HA 0.236 4.577 4.340 0.000 0.000 0.263 221 Q C -1.540 173.880 176.000 -0.965 0.000 0.979 221 Q CA -0.605 54.732 55.803 -0.777 0.000 0.932 221 Q CB 1.709 30.272 28.738 -0.291 0.000 1.462 221 Q HN 0.756 nan 8.270 nan 0.000 0.403 222 S N 0.729 116.123 115.700 -0.509 0.000 2.516 222 S HA 0.419 4.889 4.470 0.000 0.000 0.282 222 S C 0.930 175.441 174.600 -0.148 0.000 1.286 222 S CA 1.299 59.370 58.200 -0.214 0.000 1.066 222 S CB 0.659 63.856 63.200 -0.004 0.000 0.884 222 S HN 0.955 nan 8.310 nan 0.000 0.491 223 G N 2.370 111.113 108.800 -0.096 0.000 2.213 223 G HA2 0.088 4.048 3.960 0.000 0.000 0.236 223 G HA3 0.088 4.048 3.960 0.000 0.000 0.236 223 G C 0.618 175.485 174.900 -0.056 0.000 0.991 223 G CA -0.114 44.954 45.100 -0.053 0.000 0.629 223 G HN 1.822 nan 8.290 nan 0.000 0.517 224 G N -2.160 106.578 108.800 -0.103 0.000 2.746 224 G HA2 0.271 4.231 3.960 0.000 0.000 0.685 224 G HA3 0.271 4.231 3.960 0.000 0.000 0.685 224 G C -0.445 174.445 174.900 -0.017 0.000 1.350 224 G CA 0.021 45.090 45.100 -0.050 0.000 0.837 224 G HN 1.493 nan 8.290 nan 0.000 0.564 225 V N 1.321 121.268 119.914 0.055 0.000 2.417 225 V HA 0.690 4.810 4.120 0.000 0.000 0.291 225 V C 0.660 176.825 176.094 0.118 0.000 1.024 225 V CA -0.056 62.311 62.300 0.111 0.000 0.861 225 V CB 1.742 33.702 31.823 0.229 0.000 0.985 225 V HN 1.027 nan 8.190 nan 0.000 0.436 226 T N 6.845 121.455 114.554 0.093 0.000 2.829 226 T HA 0.734 5.084 4.350 0.000 0.000 0.282 226 T C -0.254 174.512 174.700 0.109 0.000 0.990 226 T CA -0.156 61.992 62.100 0.080 0.000 1.028 226 T CB 1.060 69.954 68.868 0.043 0.000 0.951 226 T HN 0.664 nan 8.240 nan 0.000 0.460 227 I N -1.000 119.639 120.570 0.115 0.000 2.934 227 I HA 0.731 4.901 4.170 0.000 0.000 0.306 227 I C -0.849 175.313 176.117 0.075 0.000 1.110 227 I CA -0.909 60.471 61.300 0.133 0.000 1.019 227 I CB 2.615 40.759 38.000 0.239 0.000 1.227 227 I HN 0.342 nan 8.210 nan 0.000 0.434 228 T N 4.739 119.315 114.554 0.037 0.000 2.893 228 T HA 0.274 4.624 4.350 0.000 0.000 0.324 228 T C 0.634 175.320 174.700 -0.023 0.000 1.082 228 T CA -0.266 61.814 62.100 -0.033 0.000 0.983 228 T CB 1.194 70.009 68.868 -0.088 0.000 1.005 228 T HN 0.600 nan 8.240 nan 0.000 0.475 229 L N 4.134 125.357 121.223 -0.001 0.000 2.083 229 L HA 0.217 4.557 4.340 0.000 0.000 0.209 229 L C 0.189 177.120 176.870 0.103 0.000 1.083 229 L CA 1.834 56.704 54.840 0.050 0.000 0.752 229 L CB -0.361 41.803 42.059 0.175 0.000 0.899 229 L HN 0.736 nan 8.230 nan 0.000 0.433 230 F N -3.850 116.081 119.950 -0.032 0.000 2.770 230 F HA 0.586 5.113 4.527 0.000 0.000 0.313 230 F C -0.828 174.954 175.800 -0.030 0.000 1.154 230 F CA -0.942 57.032 58.000 -0.044 0.000 0.923 230 F CB 0.536 39.501 39.000 -0.060 0.000 1.301 230 F HN -0.339 nan 8.300 nan 0.000 0.449 231 S N 1.316 117.046 115.700 0.050 0.000 2.572 231 S HA 0.899 5.369 4.470 0.000 0.000 0.274 231 S C -1.450 173.237 174.600 0.146 0.000 1.150 231 S CA 0.163 58.346 58.200 -0.029 0.000 0.944 231 S CB 1.201 64.354 63.200 -0.077 0.000 1.071 231 S HN 1.692 nan 8.310 nan 0.000 0.479 232 A N 3.918 126.823 122.820 0.141 0.000 2.475 232 A HA 0.762 5.082 4.320 0.000 0.000 0.301 232 A C -1.101 176.470 177.584 -0.022 0.000 1.059 232 A CA -0.893 51.191 52.037 0.079 0.000 0.710 232 A CB 1.117 20.180 19.000 0.105 0.000 1.288 232 A HN 0.725 nan 8.150 nan 0.000 0.408 233 N N 0.883 119.553 118.700 -0.051 0.000 2.458 233 N HA 0.605 5.345 4.740 0.000 0.000 0.270 233 N C -0.315 175.062 175.510 -0.221 0.000 1.102 233 N CA 0.142 53.145 53.050 -0.078 0.000 0.967 233 N CB 0.574 39.051 38.487 -0.017 0.000 1.078 233 N HN 0.681 nan 8.380 nan 0.000 0.471 234 I N -2.527 117.890 120.570 -0.256 0.000 3.191 234 I HA 0.629 4.800 4.170 0.000 0.000 0.313 234 I C -1.302 174.749 176.117 -0.110 0.000 1.193 234 I CA -0.969 60.026 61.300 -0.508 0.000 0.968 234 I CB 2.750 40.303 38.000 -0.745 0.000 1.262 234 I HN 0.086 nan 8.210 nan 0.000 0.456 235 D N 2.168 122.608 120.400 0.067 0.000 2.646 235 D HA 0.733 5.373 4.640 0.000 0.000 0.245 235 D C -1.110 175.263 176.300 0.122 0.000 1.099 235 D CA -0.213 53.861 54.000 0.124 0.000 0.849 235 D CB 2.498 43.403 40.800 0.176 0.000 1.448 235 D HN 0.900 nan 8.370 nan 0.000 0.489 236 A N 1.982 124.841 122.820 0.065 0.000 2.566 236 A HA 0.530 4.850 4.320 0.000 0.000 0.297 236 A C -0.330 177.250 177.584 -0.006 0.000 1.059 236 A CA -0.511 51.552 52.037 0.044 0.000 0.691 236 A CB 1.036 20.063 19.000 0.045 0.000 1.282 236 A HN 0.570 nan 8.150 nan 0.000 0.401 237 I N 0.280 120.833 120.570 -0.028 0.000 4.197 237 I HA 0.111 4.281 4.170 0.000 0.000 0.307 237 I C 1.129 177.229 176.117 -0.027 0.000 1.236 237 I CA 1.114 62.358 61.300 -0.093 0.000 1.321 237 I CB 0.813 38.677 38.000 -0.227 0.000 1.309 237 I HN 0.829 nan 8.210 nan 0.000 0.450 238 T N -2.226 112.350 114.554 0.036 0.000 2.762 238 T HA 0.408 4.758 4.350 0.000 0.000 0.272 238 T C 0.201 174.951 174.700 0.083 0.000 0.982 238 T CA -0.604 61.535 62.100 0.066 0.000 1.013 238 T CB 1.201 70.136 68.868 0.112 0.000 1.309 238 T HN -0.095 nan 8.240 nan 0.000 0.572 239 S N 1.065 116.832 115.700 0.111 0.000 2.643 239 S HA 0.322 4.793 4.470 0.000 0.000 0.310 239 S C 0.138 174.865 174.600 0.211 0.000 1.253 239 S CA -0.192 58.111 58.200 0.171 0.000 1.047 239 S CB -1.048 62.279 63.200 0.211 0.000 0.767 239 S HN 0.778 nan 8.310 nan 0.000 0.498 240 L N -0.252 121.052 121.223 0.135 0.000 2.403 240 L HA 0.916 5.256 4.340 0.000 0.000 0.253 240 L C -0.674 176.197 176.870 0.001 0.000 1.045 240 L CA -0.941 53.863 54.840 -0.060 0.000 0.845 240 L CB 2.138 44.179 42.059 -0.030 0.000 1.447 240 L HN 0.436 nan 8.230 nan 0.000 0.411 241 S N 0.749 116.394 115.700 -0.091 0.000 2.568 241 S HA 0.782 5.252 4.470 0.000 0.000 0.293 241 S C -0.719 173.899 174.600 0.030 0.000 1.089 241 S CA -0.545 57.678 58.200 0.038 0.000 0.945 241 S CB 1.902 65.159 63.200 0.096 0.000 1.077 241 S HN 0.531 nan 8.310 nan 0.000 0.485 242 I N 1.819 122.436 120.570 0.078 0.000 2.468 242 I HA 0.588 4.758 4.170 0.000 0.000 0.285 242 I C 0.331 176.530 176.117 0.136 0.000 1.039 242 I CA -0.406 60.951 61.300 0.094 0.000 1.074 242 I CB 1.826 39.912 38.000 0.143 0.000 1.228 242 I HN 0.754 nan 8.210 nan 0.000 0.436 243 G N 3.073 111.924 108.800 0.085 0.000 2.714 243 G HA2 0.903 4.863 3.960 0.000 0.000 0.292 243 G HA3 0.903 4.863 3.960 0.000 0.000 0.292 243 G C -0.449 174.483 174.900 0.053 0.000 1.308 243 G CA -0.471 44.697 45.100 0.113 0.000 0.964 243 G HN 0.975 nan 8.290 nan 0.000 0.484 244 G N -1.163 107.696 108.800 0.099 0.000 2.298 244 G HA2 0.449 4.409 3.960 0.000 0.000 0.309 244 G HA3 0.449 4.409 3.960 0.000 0.000 0.309 244 G C -1.062 173.945 174.900 0.179 0.000 1.279 244 G CA 0.215 45.333 45.100 0.030 0.000 1.042 244 G HN 1.180 nan 8.290 nan 0.000 0.480 245 E N -1.319 118.952 120.200 0.118 0.000 2.388 245 E HA 0.543 4.893 4.350 0.000 0.000 0.282 245 E C -1.665 175.008 176.600 0.123 0.000 1.026 245 E CA -0.821 55.712 56.400 0.221 0.000 0.820 245 E CB 1.467 31.238 29.700 0.117 0.000 1.226 245 E HN 0.647 nan 8.360 nan 0.000 0.432 246 L N 2.979 124.316 121.223 0.190 0.000 2.334 246 L HA 0.661 5.001 4.340 0.000 0.000 0.276 246 L C -0.871 175.958 176.870 -0.070 0.000 1.014 246 L CA -1.197 53.642 54.840 -0.003 0.000 0.815 246 L CB 2.007 44.101 42.059 0.059 0.000 1.268 246 L HN 0.383 nan 8.230 nan 0.000 0.428 247 V N 2.915 122.670 119.914 -0.264 0.000 2.409 247 V HA 0.428 4.548 4.120 0.000 0.000 0.291 247 V C -0.645 175.188 176.094 -0.434 0.000 1.020 247 V CA -0.464 61.707 62.300 -0.214 0.000 0.848 247 V CB 1.500 33.208 31.823 -0.191 0.000 0.990 247 V HN 0.373 nan 8.190 nan 0.000 0.430 248 F N 2.914 122.762 119.950 -0.170 0.000 2.450 248 F HA 0.622 5.149 4.527 0.000 0.000 0.332 248 F C 0.485 176.286 175.800 0.002 0.000 1.093 248 F CA -0.361 57.555 58.000 -0.140 0.000 1.003 248 F CB 1.438 40.315 39.000 -0.205 0.000 1.151 248 F HN 0.471 nan 8.300 nan 0.000 0.474 249 H N -0.132 119.118 119.070 0.302 0.000 2.637 249 H HA 0.618 5.174 4.556 0.000 0.000 0.363 249 H C -0.749 174.742 175.328 0.271 0.000 1.131 249 H CA -0.923 55.254 56.048 0.215 0.000 1.183 249 H CB 2.467 32.319 29.762 0.151 0.000 1.637 249 H HN 0.583 nan 8.280 nan 0.000 0.531 250 T N 0.311 115.050 114.554 0.307 0.000 2.889 250 T HA 0.201 4.551 4.350 0.000 0.000 0.315 250 T C -0.037 174.719 174.700 0.094 0.000 1.291 250 T CA -0.494 61.747 62.100 0.234 0.000 1.028 250 T CB 1.615 70.629 68.868 0.243 0.000 1.235 250 T HN 0.524 nan 8.240 nan 0.000 0.491 251 S N 0.968 116.709 115.700 0.069 0.000 2.526 251 S HA 0.288 4.758 4.470 0.000 0.000 0.220 251 S C 0.383 174.969 174.600 -0.022 0.000 1.017 251 S CA -0.135 58.067 58.200 0.003 0.000 0.930 251 S CB 0.474 63.690 63.200 0.027 0.000 0.856 251 S HN 0.581 nan 8.310 nan 0.000 0.497 252 V N 3.449 123.381 119.914 0.030 0.000 2.649 252 V HA 0.253 4.373 4.120 0.000 0.000 0.292 252 V C 0.137 176.240 176.094 0.014 0.000 1.055 252 V CA -0.474 61.866 62.300 0.067 0.000 1.023 252 V CB 0.730 32.625 31.823 0.120 0.000 0.992 252 V HN 0.435 nan 8.190 nan 0.000 0.480 253 H N 2.138 121.249 119.070 0.068 0.000 2.496 253 H HA 0.393 4.949 4.556 0.000 0.000 0.342 253 H C 1.175 176.540 175.328 0.060 0.000 1.170 253 H CA 0.547 56.629 56.048 0.057 0.000 1.274 253 H CB 1.600 31.384 29.762 0.038 0.000 1.538 253 H HN 0.933 nan 8.280 nan 0.000 0.542 254 G N 1.667 110.576 108.800 0.180 0.000 2.153 254 G HA2 -0.245 3.715 3.960 0.000 0.000 0.252 254 G HA3 -0.245 3.715 3.960 0.000 0.000 0.252 254 G C 0.044 175.008 174.900 0.107 0.000 0.994 254 G CA 0.043 45.216 45.100 0.121 0.000 0.698 254 G HN 0.392 nan 8.290 nan 0.000 0.521 255 L N 0.115 121.401 121.223 0.105 0.000 2.334 255 L HA 0.733 5.073 4.340 0.000 0.000 0.277 255 L C 0.631 177.520 176.870 0.032 0.000 1.075 255 L CA -0.208 54.695 54.840 0.104 0.000 0.804 255 L CB 1.697 43.851 42.059 0.159 0.000 1.174 255 L HN 0.347 nan 8.230 nan 0.000 0.438 256 A N 4.362 127.188 122.820 0.010 0.000 2.414 256 A HA 0.835 5.155 4.320 0.000 0.000 0.306 256 A C -0.970 176.541 177.584 -0.120 0.000 1.054 256 A CA -0.547 51.456 52.037 -0.058 0.000 0.724 256 A CB 1.455 20.438 19.000 -0.027 0.000 1.267 256 A HN 0.622 nan 8.150 nan 0.000 0.418 257 L N 1.421 122.512 121.223 -0.220 0.000 2.342 257 L HA 0.562 4.902 4.340 0.000 0.000 0.271 257 L C -1.154 175.586 176.870 -0.217 0.000 1.008 257 L CA -0.957 53.705 54.840 -0.297 0.000 0.818 257 L CB 2.134 43.832 42.059 -0.601 0.000 1.296 257 L HN 0.586 nan 8.230 nan 0.000 0.427 258 D N 1.805 122.101 120.400 -0.173 0.000 2.505 258 D HA 0.689 5.329 4.640 0.000 0.000 0.249 258 D C -0.862 175.368 176.300 -0.117 0.000 1.082 258 D CA -0.076 53.850 54.000 -0.123 0.000 0.839 258 D CB 2.452 43.208 40.800 -0.073 0.000 1.317 258 D HN 0.610 nan 8.370 nan 0.000 0.497 259 A N 1.605 124.355 122.820 -0.116 0.000 2.393 259 A HA 0.778 5.098 4.320 0.000 0.000 0.306 259 A C -0.608 176.927 177.584 -0.081 0.000 1.050 259 A CA -0.540 51.450 52.037 -0.077 0.000 0.724 259 A CB 1.616 20.563 19.000 -0.089 0.000 1.248 259 A HN 0.352 nan 8.150 nan 0.000 0.424 260 T N 2.663 117.202 114.554 -0.025 0.000 2.916 260 T HA 0.499 4.849 4.350 0.000 0.000 0.298 260 T C -0.680 173.975 174.700 -0.075 0.000 1.031 260 T CA -0.363 61.672 62.100 -0.110 0.000 0.993 260 T CB 1.041 69.806 68.868 -0.172 0.000 1.045 260 T HN 0.466 nan 8.240 nan 0.000 0.454 261 I N 2.972 123.447 120.570 -0.158 0.000 2.392 261 I HA 0.437 4.607 4.170 0.000 0.000 0.295 261 I C -0.904 175.068 176.117 -0.242 0.000 0.985 261 I CA -0.810 60.466 61.300 -0.040 0.000 1.221 261 I CB 1.111 39.155 38.000 0.073 0.000 1.366 261 I HN 0.662 nan 8.210 nan 0.000 0.467 262 Y N 5.678 125.963 120.300 -0.025 0.000 2.409 262 Y HA 0.525 5.075 4.550 0.000 0.000 0.343 262 Y C -0.169 175.713 175.900 -0.030 0.000 0.973 262 Y CA -0.726 57.355 58.100 -0.032 0.000 1.064 262 Y CB 1.885 40.314 38.460 -0.053 0.000 1.207 262 Y HN 0.261 nan 8.280 nan 0.000 0.452 263 L N 5.141 126.433 121.223 0.114 0.000 2.305 263 L HA 0.502 4.842 4.340 0.000 0.000 0.284 263 L C -0.960 175.948 176.870 0.063 0.000 1.013 263 L CA -0.688 54.191 54.840 0.064 0.000 0.819 263 L CB 1.054 43.134 42.059 0.035 0.000 1.227 263 L HN 0.480 nan 8.230 nan 0.000 0.417 264 I N 2.319 122.913 120.570 0.041 0.000 2.392 264 I HA 0.405 4.575 4.170 0.000 0.000 0.295 264 I C 0.901 177.033 176.117 0.026 0.000 0.985 264 I CA -0.198 61.118 61.300 0.027 0.000 1.221 264 I CB 1.550 39.549 38.000 -0.002 0.000 1.366 264 I HN 0.548 nan 8.210 nan 0.000 0.467 265 G N 3.283 112.102 108.800 0.031 0.000 2.616 265 G HA2 0.171 4.131 3.960 0.000 0.000 0.268 265 G HA3 0.171 4.131 3.960 0.000 0.000 0.268 265 G C 0.431 175.390 174.900 0.097 0.000 1.213 265 G CA -0.296 44.843 45.100 0.064 0.000 0.926 265 G HN 0.576 nan 8.290 nan 0.000 0.523 266 F N 0.650 120.599 119.950 -0.002 0.000 2.202 266 F HA -0.134 4.393 4.527 0.000 0.000 0.301 266 F C 2.271 178.028 175.800 -0.072 0.000 1.082 266 F CA 2.006 59.944 58.000 -0.104 0.000 1.313 266 F CB 0.175 38.995 39.000 -0.301 0.000 1.024 266 F HN 0.443 nan 8.300 nan 0.000 0.495 267 D N -0.992 119.455 120.400 0.078 0.000 2.324 267 D HA 0.139 4.779 4.640 0.000 0.000 0.235 267 D C 1.838 178.131 176.300 -0.012 0.000 1.095 267 D CA 0.781 54.812 54.000 0.053 0.000 0.871 267 D CB -0.555 40.431 40.800 0.311 0.000 0.906 267 D HN 0.430 nan 8.370 nan 0.000 0.522 268 G N -0.774 107.994 108.800 -0.053 0.000 2.225 268 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 268 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 268 G C 0.558 175.449 174.900 -0.015 0.000 0.988 268 G CA 0.401 45.471 45.100 -0.051 0.000 0.625 268 G HN 0.501 nan 8.290 nan 0.000 0.527 269 T N 1.889 116.457 114.554 0.023 0.000 2.898 269 T HA 0.489 4.839 4.350 0.000 0.000 0.301 269 T C 0.667 175.387 174.700 0.033 0.000 1.049 269 T CA 0.851 62.972 62.100 0.035 0.000 1.095 269 T CB 0.962 69.870 68.868 0.067 0.000 0.976 269 T HN 0.204 nan 8.240 nan 0.000 0.539 270 T N 2.755 117.336 114.554 0.044 0.000 2.794 270 T HA 0.238 4.588 4.350 0.000 0.000 0.296 270 T C 1.278 176.012 174.700 0.057 0.000 0.949 270 T CA -0.548 61.596 62.100 0.075 0.000 1.101 270 T CB 0.964 69.911 68.868 0.131 0.000 0.905 270 T HN 0.347 nan 8.240 nan 0.000 0.516 271 V N 3.696 123.637 119.914 0.045 0.000 2.922 271 V HA 0.270 4.390 4.120 0.000 0.000 0.242 271 V C 0.498 176.601 176.094 0.016 0.000 1.094 271 V CA 0.663 62.972 62.300 0.015 0.000 1.106 271 V CB 0.153 31.970 31.823 -0.010 0.000 0.799 271 V HN 0.695 nan 8.190 nan 0.000 0.474 272 I N 0.557 121.141 120.570 0.023 0.000 2.722 272 I HA 0.457 4.627 4.170 0.000 0.000 0.295 272 I C -0.615 175.476 176.117 -0.045 0.000 1.161 272 I CA -0.019 61.278 61.300 -0.005 0.000 1.032 272 I CB 2.057 40.053 38.000 -0.007 0.000 1.244 272 I HN 0.239 nan 8.210 nan 0.000 0.421 273 T N 2.877 117.362 114.554 -0.115 0.000 2.886 273 T HA 0.782 5.132 4.350 0.000 0.000 0.292 273 T C -0.503 174.061 174.700 -0.228 0.000 1.012 273 T CA -0.911 61.006 62.100 -0.304 0.000 0.982 273 T CB 2.678 71.325 68.868 -0.368 0.000 1.018 273 T HN 0.443 nan 8.240 nan 0.000 0.451 274 R N 1.141 121.483 120.500 -0.263 0.000 2.564 274 R HA 0.762 5.102 4.340 0.000 0.000 0.284 274 R C -0.616 175.572 176.300 -0.186 0.000 1.031 274 R CA -0.771 55.229 56.100 -0.166 0.000 0.904 274 R CB 1.951 32.194 30.300 -0.095 0.000 1.199 274 R HN 1.007 nan 8.270 nan 0.000 0.443 275 A N 1.927 124.655 122.820 -0.154 0.000 2.401 275 A HA 0.393 4.713 4.320 0.000 0.000 0.259 275 A C 0.661 178.143 177.584 -0.171 0.000 1.103 275 A CA -0.284 51.662 52.037 -0.152 0.000 0.789 275 A CB 0.758 19.686 19.000 -0.119 0.000 1.035 275 A HN 0.475 nan 8.150 nan 0.000 0.491 276 V N 1.296 121.079 119.914 -0.219 0.000 3.484 276 V HA 0.444 4.564 4.120 0.000 0.000 0.252 276 V C 0.870 176.783 176.094 -0.302 0.000 1.282 276 V CA 1.431 63.523 62.300 -0.345 0.000 1.104 276 V CB 0.441 31.919 31.823 -0.576 0.000 0.868 276 V HN 1.155 nan 8.190 nan 0.000 0.457 277 A N -0.698 121.988 122.820 -0.224 0.000 2.427 277 A HA 0.768 5.088 4.320 0.000 0.000 0.298 277 A C -0.701 176.796 177.584 -0.144 0.000 1.036 277 A CA -0.235 51.691 52.037 -0.186 0.000 0.701 277 A CB 1.960 20.836 19.000 -0.207 0.000 1.250 277 A HN 0.052 nan 8.150 nan 0.000 0.412 278 S N 1.561 117.189 115.700 -0.120 0.000 2.707 278 S HA 0.502 4.972 4.470 0.000 0.000 0.303 278 S C -0.336 174.215 174.600 -0.083 0.000 1.132 278 S CA 0.123 58.267 58.200 -0.093 0.000 1.046 278 S CB 0.610 63.764 63.200 -0.076 0.000 1.004 278 S HN 1.168 nan 8.310 nan 0.000 0.483 279 D N 3.004 123.356 120.400 -0.080 0.000 2.708 279 D HA -0.200 4.440 4.640 0.000 0.000 0.236 279 D C -0.429 175.824 176.300 -0.079 0.000 1.146 279 D CA 0.648 54.608 54.000 -0.067 0.000 0.662 279 D CB -0.847 39.927 40.800 -0.043 0.000 1.059 279 D HN 0.452 nan 8.370 nan 0.000 0.428 280 N N 0.334 118.964 118.700 -0.116 0.000 2.415 280 N HA 0.342 5.082 4.740 0.000 0.000 0.250 280 N C 0.271 175.704 175.510 -0.128 0.000 1.127 280 N CA 0.578 53.552 53.050 -0.126 0.000 0.945 280 N CB 0.495 38.878 38.487 -0.173 0.000 1.196 280 N HN 0.334 nan 8.380 nan 0.000 0.499 281 G N 3.166 111.920 108.800 -0.077 0.000 2.406 281 G HA2 0.319 4.279 3.960 0.000 0.000 0.251 281 G HA3 0.319 4.279 3.960 0.000 0.000 0.251 281 G C 0.031 174.897 174.900 -0.056 0.000 1.271 281 G CA -0.414 44.653 45.100 -0.054 0.000 0.859 281 G HN 0.610 nan 8.290 nan 0.000 0.540 282 L N 2.357 123.551 121.223 -0.047 0.000 2.264 282 L HA 0.339 4.679 4.340 0.000 0.000 0.289 282 L C 0.984 177.861 176.870 0.012 0.000 1.044 282 L CA -0.766 54.059 54.840 -0.025 0.000 0.807 282 L CB 1.445 43.488 42.059 -0.027 0.000 1.192 282 L HN 0.671 nan 8.230 nan 0.000 0.425 283 T N -0.629 113.938 114.554 0.021 0.000 2.882 283 T HA 0.259 4.610 4.350 0.000 0.000 0.287 283 T C 0.336 175.035 174.700 -0.001 0.000 0.992 283 T CA -0.533 61.577 62.100 0.015 0.000 1.076 283 T CB 1.287 70.171 68.868 0.027 0.000 0.961 283 T HN 0.433 nan 8.240 nan 0.000 0.490 284 T N 2.558 117.066 114.554 -0.075 0.000 2.926 284 T HA 0.449 4.799 4.350 0.000 0.000 0.307 284 T C 1.448 176.117 174.700 -0.052 0.000 1.059 284 T CA 1.034 63.062 62.100 -0.120 0.000 1.122 284 T CB -0.032 68.615 68.868 -0.369 0.000 0.972 284 T HN 1.525 nan 8.240 nan 0.000 0.545 285 G N 1.943 110.716 108.800 -0.045 0.000 2.283 285 G HA2 -0.202 3.758 3.960 0.000 0.000 0.280 285 G HA3 -0.202 3.758 3.960 0.000 0.000 0.280 285 G C -0.176 174.696 174.900 -0.047 0.000 1.029 285 G CA 0.122 45.188 45.100 -0.056 0.000 0.840 285 G HN 0.570 nan 8.290 nan 0.000 0.505 286 I N -0.814 119.750 120.570 -0.010 0.000 3.095 286 I HA 0.414 4.584 4.170 0.000 0.000 0.310 286 I C -0.960 175.245 176.117 0.147 0.000 1.196 286 I CA -1.996 59.324 61.300 0.034 0.000 0.985 286 I CB 1.906 39.933 38.000 0.044 0.000 1.250 286 I HN -0.020 nan 8.210 nan 0.000 0.446 287 D N 3.909 124.412 120.400 0.173 0.000 2.352 287 D HA 0.165 4.805 4.640 0.000 0.000 0.245 287 D C -0.478 175.926 176.300 0.174 0.000 1.224 287 D CA 0.123 54.286 54.000 0.271 0.000 0.879 287 D CB 0.297 41.214 40.800 0.195 0.000 1.057 287 D HN 0.277 nan 8.370 nan 0.000 0.491 288 N N 3.127 121.943 118.700 0.193 0.000 2.420 288 N HA 0.174 4.914 4.740 0.000 0.000 0.249 288 N C -0.090 175.502 175.510 0.137 0.000 1.033 288 N CA -0.286 52.847 53.050 0.139 0.000 0.944 288 N CB 1.605 40.176 38.487 0.141 0.000 1.113 288 N HN 0.253 nan 8.380 nan 0.000 0.502 289 L N 2.547 123.824 121.223 0.091 0.000 2.305 289 L HA 0.412 4.753 4.340 0.000 0.000 0.281 289 L C 0.532 177.447 176.870 0.076 0.000 1.085 289 L CA -0.072 54.817 54.840 0.081 0.000 0.813 289 L CB 0.985 43.077 42.059 0.055 0.000 1.157 289 L HN 0.383 nan 8.230 nan 0.000 0.436 290 M N 7.102 126.768 119.600 0.109 0.000 1.998 290 M HA 0.380 4.860 4.480 0.000 0.000 0.289 290 M C -2.597 173.747 176.300 0.074 0.000 0.886 290 M CA -1.622 53.719 55.300 0.068 0.000 0.853 290 M CB 1.539 34.228 32.600 0.148 0.000 1.462 290 M HN 0.215 nan 8.290 nan 0.000 0.375 291 P HA 0.267 nan 4.420 nan 0.000 0.277 291 P C -1.355 175.928 177.300 -0.029 0.000 1.240 291 P CA -0.051 63.103 63.100 0.090 0.000 0.798 291 P CB 0.769 32.499 31.700 0.051 0.000 0.979 292 F N 1.291 121.249 119.950 0.014 0.000 2.444 292 F HA 0.373 4.900 4.527 0.000 0.000 0.342 292 F C 1.066 176.874 175.800 0.014 0.000 1.121 292 F CA -0.200 57.809 58.000 0.015 0.000 0.997 292 F CB 1.197 40.212 39.000 0.024 0.000 1.130 292 F HN 0.194 nan 8.300 nan 0.000 0.454 293 N N 5.124 123.880 118.700 0.092 0.000 2.664 293 N HA 0.232 4.972 4.740 0.000 0.000 0.287 293 N C -1.356 174.189 175.510 0.059 0.000 1.869 293 N CA -0.060 53.034 53.050 0.073 0.000 0.832 293 N CB 1.083 39.588 38.487 0.031 0.000 1.293 293 N HN 0.405 nan 8.380 nan 0.000 0.498 294 L N 0.757 122.035 121.223 0.092 0.000 2.307 294 L HA 0.626 4.966 4.340 0.000 0.000 0.282 294 L C -0.021 176.896 176.870 0.078 0.000 1.051 294 L CA -0.899 53.984 54.840 0.072 0.000 0.804 294 L CB 1.783 43.896 42.059 0.090 0.000 1.197 294 L HN -0.220 nan 8.230 nan 0.000 0.431 295 V N 4.284 124.236 119.914 0.063 0.000 2.483 295 V HA 0.380 4.500 4.120 0.000 0.000 0.297 295 V C -0.425 175.707 176.094 0.063 0.000 1.027 295 V CA -0.333 62.016 62.300 0.081 0.000 0.855 295 V CB 2.055 33.922 31.823 0.073 0.000 0.995 295 V HN 0.449 nan 8.190 nan 0.000 0.424 296 I N 8.334 128.948 120.570 0.073 0.000 2.330 296 I HA 0.423 4.594 4.170 0.000 0.000 0.286 296 I C -2.097 174.058 176.117 0.063 0.000 1.025 296 I CA -2.073 59.259 61.300 0.053 0.000 1.197 296 I CB 1.731 39.757 38.000 0.043 0.000 1.358 296 I HN 0.420 nan 8.210 nan 0.000 0.467 297 P HA 0.145 nan 4.420 nan 0.000 0.274 297 P C 0.624 177.946 177.300 0.036 0.000 1.231 297 P CA -0.212 62.913 63.100 0.042 0.000 0.790 297 P CB 0.881 32.596 31.700 0.024 0.000 0.951 298 T N 1.123 115.699 114.554 0.038 0.000 2.699 298 T HA -0.178 4.172 4.350 0.000 0.000 0.268 298 T C 1.593 176.304 174.700 0.018 0.000 1.036 298 T CA 2.048 64.166 62.100 0.031 0.000 1.147 298 T CB -0.899 67.990 68.868 0.035 0.000 0.862 298 T HN 0.622 nan 8.240 nan 0.000 0.446 299 N N 1.491 120.201 118.700 0.017 0.000 2.443 299 N HA -0.153 4.587 4.740 0.000 0.000 0.184 299 N C 1.406 176.923 175.510 0.011 0.000 1.037 299 N CA 0.943 54.002 53.050 0.014 0.000 0.896 299 N CB -0.234 38.261 38.487 0.014 0.000 0.959 299 N HN 0.519 nan 8.380 nan 0.000 0.442 300 E N 0.334 120.540 120.200 0.010 0.000 2.385 300 E HA 0.182 4.532 4.350 0.000 0.000 0.194 300 E C 0.209 176.808 176.600 -0.002 0.000 1.013 300 E CA -0.028 56.376 56.400 0.006 0.000 0.866 300 E CB 0.294 29.997 29.700 0.006 0.000 0.832 300 E HN 0.412 nan 8.360 nan 0.000 0.500 301 I N 2.333 122.899 120.570 -0.006 0.000 2.347 301 I HA -0.020 4.150 4.170 0.000 0.000 0.294 301 I C 1.470 177.558 176.117 -0.047 0.000 1.090 301 I CA 0.002 61.286 61.300 -0.026 0.000 1.314 301 I CB 1.001 38.989 38.000 -0.021 0.000 1.423 301 I HN 0.024 nan 8.210 nan 0.000 0.503 302 T N 1.814 116.325 114.554 -0.072 0.000 3.067 302 T HA 0.073 4.423 4.350 0.000 0.000 0.257 302 T C 0.453 174.985 174.700 -0.281 0.000 1.105 302 T CA 0.115 62.160 62.100 -0.092 0.000 1.104 302 T CB 0.063 68.904 68.868 -0.044 0.000 0.925 302 T HN 0.726 nan 8.240 nan 0.000 0.498 303 Q N -0.470 119.110 119.800 -0.367 0.000 2.522 303 Q HA 0.553 4.893 4.340 0.000 0.000 0.285 303 Q C -3.472 172.379 176.000 -0.249 0.000 0.982 303 Q CA -2.465 52.965 55.803 -0.622 0.000 0.805 303 Q CB 0.650 28.619 28.738 -1.282 0.000 1.457 303 Q HN -0.119 nan 8.270 nan 0.000 0.394 304 P HA -0.000 nan 4.420 nan 0.000 0.262 304 P C -0.682 176.639 177.300 0.035 0.000 1.182 304 P CA 0.179 63.286 63.100 0.011 0.000 0.761 304 P CB 0.271 32.059 31.700 0.147 0.000 0.795 305 I N 3.408 123.993 120.570 0.024 0.000 2.395 305 I HA 0.105 4.275 4.170 0.000 0.000 0.289 305 I C 1.467 177.619 176.117 0.058 0.000 1.023 305 I CA 0.362 61.682 61.300 0.033 0.000 1.350 305 I CB 0.604 38.614 38.000 0.018 0.000 1.409 305 I HN 0.422 nan 8.210 nan 0.000 0.507 306 T N 0.173 114.766 114.554 0.065 0.000 3.043 306 T HA 0.250 4.600 4.350 0.000 0.000 0.272 306 T C 0.376 175.083 174.700 0.012 0.000 0.990 306 T CA -0.090 62.052 62.100 0.070 0.000 0.897 306 T CB 0.111 69.064 68.868 0.143 0.000 1.111 306 T HN 0.626 nan 8.240 nan 0.000 0.529 307 S N 0.462 116.159 115.700 -0.006 0.000 2.567 307 S HA 0.717 5.187 4.470 0.000 0.000 0.270 307 S C -1.572 173.018 174.600 -0.017 0.000 1.152 307 S CA -1.071 57.112 58.200 -0.029 0.000 0.835 307 S CB 1.775 64.958 63.200 -0.029 0.000 1.115 307 S HN 0.514 nan 8.310 nan 0.000 0.459 308 I N 1.306 121.868 120.570 -0.014 0.000 2.582 308 I HA 0.734 4.904 4.170 0.000 0.000 0.292 308 I C -1.496 174.589 176.117 -0.053 0.000 1.066 308 I CA -0.682 60.625 61.300 0.012 0.000 1.053 308 I CB 1.813 39.846 38.000 0.055 0.000 1.241 308 I HN 1.031 nan 8.210 nan 0.000 0.421 309 K N 6.500 126.829 120.400 -0.117 0.000 2.469 309 K HA 0.603 4.923 4.320 0.000 0.000 0.254 309 K C -2.181 174.217 176.600 -0.336 0.000 0.939 309 K CA -0.929 55.130 56.287 -0.381 0.000 0.812 309 K CB 2.501 34.843 32.500 -0.264 0.000 1.301 309 K HN 0.500 nan 8.250 nan 0.000 0.433 310 L N 1.032 121.847 121.223 -0.679 0.000 2.322 310 L HA 0.481 4.821 4.340 0.000 0.000 0.281 310 L C -1.105 175.711 176.870 -0.090 0.000 1.014 310 L CA -0.000 54.697 54.840 -0.238 0.000 0.815 310 L CB 1.786 43.769 42.059 -0.127 0.000 1.247 310 L HN 0.862 nan 8.230 nan 0.000 0.421 311 E N 4.675 124.925 120.200 0.083 0.000 2.187 311 E HA 0.576 4.926 4.350 0.000 0.000 0.268 311 E C -1.365 175.286 176.600 0.086 0.000 0.896 311 E CA -0.534 55.920 56.400 0.090 0.000 0.766 311 E CB 1.828 31.635 29.700 0.177 0.000 1.142 311 E HN 0.588 nan 8.360 nan 0.000 0.408 312 I N 3.240 123.853 120.570 0.072 0.000 2.498 312 I HA 0.305 4.475 4.170 0.000 0.000 0.290 312 I C -0.883 175.243 176.117 0.014 0.000 1.032 312 I CA -0.998 60.320 61.300 0.029 0.000 1.073 312 I CB 1.992 40.018 38.000 0.044 0.000 1.251 312 I HN 0.193 nan 8.210 nan 0.000 0.426 313 V N 4.649 124.546 119.914 -0.028 0.000 2.357 313 V HA 0.370 4.490 4.120 0.000 0.000 0.284 313 V C 0.058 176.126 176.094 -0.042 0.000 1.018 313 V CA -0.448 61.844 62.300 -0.012 0.000 0.841 313 V CB 1.466 33.285 31.823 -0.007 0.000 0.991 313 V HN 0.712 nan 8.190 nan 0.000 0.437 314 T N 4.014 118.569 114.554 0.002 0.000 2.795 314 T HA 0.620 4.970 4.350 0.000 0.000 0.282 314 T C -0.024 174.735 174.700 0.097 0.000 0.980 314 T CA -0.266 61.862 62.100 0.048 0.000 1.012 314 T CB 1.221 70.171 68.868 0.136 0.000 0.936 314 T HN 0.708 nan 8.240 nan 0.000 0.457 315 S N 2.329 118.079 115.700 0.084 0.000 2.618 315 S HA 0.639 5.109 4.470 0.000 0.000 0.277 315 S C -0.914 173.777 174.600 0.151 0.000 1.138 315 S CA -1.016 57.243 58.200 0.099 0.000 0.844 315 S CB 2.164 65.395 63.200 0.051 0.000 1.127 315 S HN 0.608 nan 8.310 nan 0.000 0.474 316 K N 1.613 122.150 120.400 0.229 0.000 2.656 316 K HA 0.322 4.642 4.320 0.000 0.000 0.241 316 K C 0.939 177.691 176.600 0.253 0.000 0.967 316 K CA -0.302 56.130 56.287 0.243 0.000 0.946 316 K CB 0.781 33.465 32.500 0.306 0.000 1.164 316 K HN 0.730 nan 8.250 nan 0.000 0.459 317 S N 2.062 117.849 115.700 0.145 0.000 2.378 317 S HA -0.146 4.325 4.470 0.000 0.000 0.221 317 S C 1.429 176.081 174.600 0.088 0.000 1.037 317 S CA 1.189 59.458 58.200 0.115 0.000 1.069 317 S CB -0.615 62.625 63.200 0.067 0.000 1.006 317 S HN 0.660 nan 8.310 nan 0.000 0.423 318 G N 2.221 111.042 108.800 0.036 0.000 3.401 318 G HA2 0.511 4.471 3.960 0.000 0.000 0.251 318 G HA3 0.511 4.471 3.960 0.000 0.000 0.251 318 G C 0.190 175.029 174.900 -0.101 0.000 0.960 318 G CA -0.127 44.964 45.100 -0.016 0.000 1.900 318 G HN 0.719 nan 8.290 nan 0.000 0.645 319 G N -0.522 108.162 108.800 -0.193 0.000 2.434 319 G HA2 0.597 4.557 3.960 0.000 0.000 0.330 319 G HA3 0.597 4.557 3.960 0.000 0.000 0.330 319 G C -0.744 173.580 174.900 -0.960 0.000 1.155 319 G CA -0.375 44.316 45.100 -0.682 0.000 0.917 319 G HN 0.229 nan 8.290 nan 0.000 0.493 320 Q N -0.686 118.550 119.800 -0.940 0.000 2.345 320 Q HA 0.535 4.875 4.340 0.000 0.000 0.275 320 Q C 0.005 175.821 176.000 -0.306 0.000 1.063 320 Q CA -0.705 54.802 55.803 -0.494 0.000 0.819 320 Q CB 2.219 30.825 28.738 -0.220 0.000 1.356 320 Q HN 0.884 nan 8.270 nan 0.000 0.418 321 A N 0.449 123.261 122.820 -0.014 0.000 2.609 321 A HA 0.325 4.645 4.320 0.000 0.000 0.232 321 A C 1.214 178.822 177.584 0.040 0.000 1.041 321 A CA 1.766 53.874 52.037 0.118 0.000 0.753 321 A CB -0.439 18.619 19.000 0.098 0.000 0.966 321 A HN 1.151 nan 8.150 nan 0.000 0.510 322 G N 1.247 110.089 108.800 0.070 0.000 2.475 322 G HA2 -0.196 3.764 3.960 0.000 0.000 0.209 322 G HA3 -0.196 3.764 3.960 0.000 0.000 0.209 322 G C 0.082 175.005 174.900 0.038 0.000 1.127 322 G CA 0.206 45.327 45.100 0.034 0.000 0.681 322 G HN 0.902 nan 8.290 nan 0.000 0.517 323 D N 1.871 122.289 120.400 0.029 0.000 2.581 323 D HA 0.254 4.894 4.640 0.000 0.000 0.238 323 D C 0.632 176.991 176.300 0.099 0.000 1.145 323 D CA 0.960 54.984 54.000 0.041 0.000 0.866 323 D CB 1.044 41.832 40.800 -0.020 0.000 1.151 323 D HN 0.515 nan 8.370 nan 0.000 0.500 324 Q N 3.493 123.327 119.800 0.058 0.000 2.430 324 Q HA 0.247 4.587 4.340 0.000 0.000 0.245 324 Q C -0.511 175.516 176.000 0.044 0.000 1.021 324 Q CA -0.436 55.386 55.803 0.031 0.000 0.867 324 Q CB 0.529 29.260 28.738 -0.012 0.000 1.210 324 Q HN 0.343 nan 8.270 nan 0.000 0.487 325 M N 1.874 121.523 119.600 0.082 0.000 2.242 325 M HA 0.421 4.901 4.480 0.000 0.000 0.344 325 M C -0.190 176.137 176.300 0.046 0.000 1.140 325 M CA -0.085 55.305 55.300 0.151 0.000 1.160 325 M CB 1.201 33.972 32.600 0.286 0.000 1.491 325 M HN 0.752 nan 8.290 nan 0.000 0.459 326 S N 1.277 117.063 115.700 0.143 0.000 2.578 326 S HA 0.799 5.269 4.470 0.000 0.000 0.272 326 S C -1.918 172.822 174.600 0.235 0.000 1.145 326 S CA -1.127 57.083 58.200 0.016 0.000 0.835 326 S CB 1.567 64.713 63.200 -0.090 0.000 1.104 326 S HN 1.017 nan 8.310 nan 0.000 0.458 327 W N -0.051 121.465 121.300 0.360 0.000 3.161 327 W HA 0.674 5.334 4.660 0.000 0.000 0.314 327 W C -1.492 175.188 176.519 0.268 0.000 1.245 327 W CA -0.537 56.991 57.345 0.306 0.000 1.191 327 W CB 0.645 30.316 29.460 0.352 0.000 1.392 327 W HN 1.148 nan 8.180 nan 0.000 0.568 328 S N 1.125 117.226 115.700 0.669 0.000 2.536 328 S HA 0.912 5.382 4.470 0.000 0.000 0.298 328 S C -0.755 174.097 174.600 0.420 0.000 1.083 328 S CA -0.583 57.895 58.200 0.463 0.000 0.995 328 S CB 2.257 65.596 63.200 0.231 0.000 1.058 328 S HN 1.206 nan 8.310 nan 0.000 0.488 329 A N 1.425 124.417 122.820 0.287 0.000 2.498 329 A HA 0.910 5.231 4.320 0.000 0.000 0.298 329 A C -0.483 177.023 177.584 -0.129 0.000 1.075 329 A CA -0.760 51.169 52.037 -0.180 0.000 0.714 329 A CB 1.840 20.498 19.000 -0.570 0.000 1.299 329 A HN 0.818 nan 8.150 nan 0.000 0.407 330 S N -0.951 114.587 115.700 -0.271 0.000 2.546 330 S HA 0.940 5.410 4.470 0.000 0.000 0.274 330 S C -0.276 174.211 174.600 -0.189 0.000 1.121 330 S CA 0.057 58.160 58.200 -0.161 0.000 0.887 330 S CB 2.096 65.223 63.200 -0.121 0.000 1.094 330 S HN 2.240 nan 8.310 nan 0.000 0.474 331 G N 0.950 109.667 108.800 -0.139 0.000 2.358 331 G HA2 0.463 4.423 3.960 0.000 0.000 0.303 331 G HA3 0.463 4.423 3.960 0.000 0.000 0.303 331 G C -1.668 173.137 174.900 -0.160 0.000 1.537 331 G CA -0.615 44.404 45.100 -0.135 0.000 0.928 331 G HN 0.706 nan 8.290 nan 0.000 0.656 332 S N -0.784 114.817 115.700 -0.164 0.000 2.569 332 S HA 0.857 5.327 4.470 0.000 0.000 0.280 332 S C -0.512 173.937 174.600 -0.250 0.000 1.111 332 S CA -0.740 57.337 58.200 -0.206 0.000 0.887 332 S CB 1.720 64.833 63.200 -0.144 0.000 1.095 332 S HN 0.696 nan 8.310 nan 0.000 0.476 333 L N 1.142 122.181 121.223 -0.307 0.000 2.333 333 L HA 0.934 5.274 4.340 0.000 0.000 0.263 333 L C -0.503 176.257 176.870 -0.183 0.000 1.014 333 L CA -1.082 53.563 54.840 -0.325 0.000 0.820 333 L CB 1.862 43.627 42.059 -0.490 0.000 1.352 333 L HN 0.746 nan 8.230 nan 0.000 0.421 334 A N 1.528 124.279 122.820 -0.115 0.000 2.335 334 A HA 0.726 5.046 4.320 0.000 0.000 0.304 334 A C -0.954 176.622 177.584 -0.014 0.000 1.118 334 A CA -0.473 51.535 52.037 -0.048 0.000 0.757 334 A CB 1.454 20.435 19.000 -0.033 0.000 1.188 334 A HN 0.361 nan 8.150 nan 0.000 0.460 335 V N 3.024 122.959 119.914 0.035 0.000 2.333 335 V HA 0.389 4.509 4.120 0.000 0.000 0.274 335 V C 0.143 176.274 176.094 0.062 0.000 1.028 335 V CA -0.108 62.232 62.300 0.067 0.000 0.851 335 V CB 1.282 33.178 31.823 0.122 0.000 1.000 335 V HN 0.884 nan 8.190 nan 0.000 0.456 336 T N 6.736 121.268 114.554 -0.037 0.000 2.743 336 T HA 0.491 4.841 4.350 0.000 0.000 0.292 336 T C -0.087 174.461 174.700 -0.254 0.000 0.972 336 T CA -0.276 61.744 62.100 -0.133 0.000 0.967 336 T CB 0.564 69.323 68.868 -0.181 0.000 0.926 336 T HN 0.292 nan 8.240 nan 0.000 0.459 337 I N 4.618 125.102 120.570 -0.144 0.000 2.291 337 I HA 0.163 4.333 4.170 0.000 0.000 0.290 337 I C 0.718 176.766 176.117 -0.115 0.000 1.050 337 I CA -0.870 60.363 61.300 -0.111 0.000 1.245 337 I CB -0.170 37.846 38.000 0.028 0.000 1.405 337 I HN 0.565 nan 8.210 nan 0.000 0.478 338 H N 5.227 124.321 119.070 0.041 0.000 3.157 338 H HA 0.032 4.588 4.556 0.000 0.000 0.299 338 H C 1.500 176.842 175.328 0.025 0.000 0.961 338 H CA 1.048 57.114 56.048 0.029 0.000 1.428 338 H CB 0.375 30.151 29.762 0.024 0.000 1.459 338 H HN 0.939 nan 8.280 nan 0.000 0.566 339 G N 2.796 111.677 108.800 0.135 0.000 2.180 339 G HA2 -0.347 3.613 3.960 0.000 0.000 0.263 339 G HA3 -0.347 3.613 3.960 0.000 0.000 0.263 339 G C 1.547 176.499 174.900 0.087 0.000 0.989 339 G CA 0.813 45.967 45.100 0.091 0.000 0.692 339 G HN 0.871 nan 8.290 nan 0.000 0.526 340 G N 0.078 108.917 108.800 0.064 0.000 2.432 340 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 340 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 340 G C 1.266 176.193 174.900 0.045 0.000 1.135 340 G CA 1.214 46.345 45.100 0.052 0.000 0.767 340 G HN 0.509 nan 8.290 nan 0.000 0.550 341 N N -0.732 117.987 118.700 0.031 0.000 2.314 341 N HA 0.073 4.813 4.740 0.000 0.000 0.200 341 N C -0.473 175.056 175.510 0.032 0.000 1.135 341 N CA -0.467 52.587 53.050 0.006 0.000 0.835 341 N CB -0.074 38.393 38.487 -0.034 0.000 0.989 341 N HN 0.437 nan 8.380 nan 0.000 0.478 342 Y N 2.542 122.821 120.300 -0.036 0.000 2.537 342 Y HA 0.190 4.740 4.550 0.000 0.000 0.339 342 Y C -2.124 173.747 175.900 -0.049 0.000 1.066 342 Y CA -2.070 56.004 58.100 -0.043 0.000 1.357 342 Y CB 0.552 38.977 38.460 -0.059 0.000 1.175 342 Y HN -0.007 nan 8.280 nan 0.000 0.525 343 P HA 0.041 nan 4.420 nan 0.000 0.258 343 P C 0.501 177.753 177.300 -0.080 0.000 1.172 343 P CA 2.163 65.102 63.100 -0.268 0.000 0.762 343 P CB 0.310 31.792 31.700 -0.363 0.000 0.764 344 G N 3.207 112.040 108.800 0.054 0.000 2.259 344 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 344 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 344 G C 1.172 176.185 174.900 0.189 0.000 1.001 344 G CA 0.314 45.501 45.100 0.146 0.000 0.627 344 G HN 0.618 nan 8.290 nan 0.000 0.501 345 A N -0.235 122.678 122.820 0.156 0.000 1.930 345 A HA 0.549 4.869 4.320 0.000 0.000 0.217 345 A C 2.245 179.931 177.584 0.170 0.000 1.175 345 A CA 1.974 54.056 52.037 0.075 0.000 0.627 345 A CB -0.192 18.836 19.000 0.047 0.000 0.815 345 A HN 0.863 nan 8.150 nan 0.000 0.443 346 L N -2.362 118.950 121.223 0.149 0.000 2.806 346 L HA 0.215 4.556 4.340 0.000 0.000 0.242 346 L C 0.588 177.578 176.870 0.201 0.000 1.068 346 L CA -0.080 54.846 54.840 0.144 0.000 0.923 346 L CB 0.361 42.489 42.059 0.114 0.000 1.364 346 L HN 0.444 nan 8.230 nan 0.000 0.511 347 R N 0.182 120.773 120.500 0.151 0.000 2.807 347 R HA 0.601 4.941 4.340 0.000 0.000 0.276 347 R C -2.933 173.426 176.300 0.099 0.000 0.979 347 R CA -1.733 54.438 56.100 0.119 0.000 0.928 347 R CB 1.110 31.424 30.300 0.022 0.000 1.191 347 R HN -0.298 nan 8.270 nan 0.000 0.471 348 P HA 0.251 nan 4.420 nan 0.000 0.302 348 P C -0.841 176.572 177.300 0.187 0.000 1.307 348 P CA -0.585 62.559 63.100 0.073 0.000 0.754 348 P CB 0.813 32.523 31.700 0.016 0.000 1.298 349 V N -0.914 119.118 119.914 0.197 0.000 2.760 349 V HA 0.338 4.458 4.120 0.000 0.000 0.309 349 V C -0.335 175.843 176.094 0.141 0.000 1.077 349 V CA -0.294 62.123 62.300 0.195 0.000 0.910 349 V CB 2.230 34.194 31.823 0.234 0.000 1.008 349 V HN 0.516 nan 8.190 nan 0.000 0.424 350 T N 6.248 120.859 114.554 0.095 0.000 2.770 350 T HA 0.619 4.969 4.350 0.000 0.000 0.283 350 T C -0.528 174.217 174.700 0.074 0.000 0.988 350 T CA -0.278 61.882 62.100 0.100 0.000 0.957 350 T CB 0.707 69.644 68.868 0.116 0.000 0.930 350 T HN 0.342 nan 8.240 nan 0.000 0.443 351 L N 3.506 124.742 121.223 0.022 0.000 2.295 351 L HA 0.670 5.010 4.340 0.000 0.000 0.285 351 L C -0.539 176.341 176.870 0.018 0.000 1.035 351 L CA -1.100 53.714 54.840 -0.043 0.000 0.806 351 L CB 1.615 43.610 42.059 -0.107 0.000 1.214 351 L HN 0.308 nan 8.230 nan 0.000 0.426 352 V N 2.690 122.622 119.914 0.030 0.000 2.376 352 V HA 0.592 4.712 4.120 0.000 0.000 0.287 352 V C 0.206 176.368 176.094 0.114 0.000 1.015 352 V CA -0.464 61.898 62.300 0.103 0.000 0.834 352 V CB 1.421 33.366 31.823 0.204 0.000 1.001 352 V HN 0.868 nan 8.190 nan 0.000 0.428 353 A N 5.345 128.235 122.820 0.117 0.000 2.324 353 A HA 0.963 5.283 4.320 0.000 0.000 0.330 353 A C -1.007 176.806 177.584 0.382 0.000 1.165 353 A CA -0.504 51.637 52.037 0.173 0.000 0.813 353 A CB 1.112 20.192 19.000 0.134 0.000 1.197 353 A HN 1.060 nan 8.150 nan 0.000 0.484 354 Y N -0.398 120.094 120.300 0.321 0.000 2.512 354 Y HA 0.769 5.319 4.550 0.000 0.000 0.348 354 Y C -0.508 175.444 175.900 0.086 0.000 0.990 354 Y CA -0.994 57.250 58.100 0.241 0.000 1.033 354 Y CB 1.342 39.889 38.460 0.145 0.000 1.259 354 Y HN 0.870 nan 8.280 nan 0.000 0.461 355 E N 1.138 121.350 120.200 0.021 0.000 2.413 355 E HA 0.632 4.982 4.350 0.000 0.000 0.277 355 E C -0.861 175.695 176.600 -0.073 0.000 0.958 355 E CA -1.459 54.844 56.400 -0.162 0.000 0.779 355 E CB 1.903 31.270 29.700 -0.555 0.000 1.278 355 E HN 0.724 nan 8.360 nan 0.000 0.456 356 R N -0.375 120.099 120.500 -0.044 0.000 3.776 356 R HA -0.115 4.225 4.340 0.000 0.000 0.312 356 R C -0.802 175.515 176.300 0.028 0.000 1.181 356 R CA 0.768 56.856 56.100 -0.020 0.000 0.836 356 R CB -2.141 28.125 30.300 -0.056 0.000 1.324 356 R HN 0.389 nan 8.270 nan 0.000 0.501 357 V N 0.789 120.754 119.914 0.085 0.000 2.509 357 V HA 0.551 4.671 4.120 0.000 0.000 0.284 357 V C 1.170 177.294 176.094 0.051 0.000 1.047 357 V CA -0.270 62.070 62.300 0.067 0.000 0.952 357 V CB 1.660 33.529 31.823 0.077 0.000 0.988 357 V HN 0.352 nan 8.190 nan 0.000 0.469 358 A N 3.526 126.360 122.820 0.024 0.000 2.546 358 A HA 0.293 4.613 4.320 0.000 0.000 0.243 358 A C 0.790 178.390 177.584 0.026 0.000 1.063 358 A CA 0.134 52.183 52.037 0.019 0.000 0.757 358 A CB -0.402 18.603 19.000 0.009 0.000 0.991 358 A HN 0.872 nan 8.150 nan 0.000 0.503 359 T N 2.008 116.580 114.554 0.030 0.000 2.933 359 T HA 0.383 4.733 4.350 0.000 0.000 0.306 359 T C 1.617 176.332 174.700 0.024 0.000 1.045 359 T CA 1.605 63.726 62.100 0.035 0.000 1.143 359 T CB 0.407 69.291 68.868 0.027 0.000 1.003 359 T HN 2.064 nan 8.240 nan 0.000 0.540 360 G N 2.856 111.673 108.800 0.028 0.000 2.205 360 G HA2 -0.288 3.672 3.960 0.000 0.000 0.261 360 G HA3 -0.288 3.672 3.960 0.000 0.000 0.261 360 G C 0.465 175.368 174.900 0.005 0.000 0.980 360 G CA 0.207 45.317 45.100 0.017 0.000 0.632 360 G HN 0.820 nan 8.290 nan 0.000 0.533 361 S N -0.923 114.776 115.700 -0.002 0.000 2.608 361 S HA 0.542 5.012 4.470 0.000 0.000 0.261 361 S C 0.432 175.009 174.600 -0.038 0.000 1.314 361 S CA -0.002 58.185 58.200 -0.022 0.000 0.992 361 S CB 2.057 65.235 63.200 -0.037 0.000 0.935 361 S HN 0.784 nan 8.310 nan 0.000 0.564 362 V N 1.849 121.734 119.914 -0.048 0.000 2.384 362 V HA 0.333 4.454 4.120 0.000 0.000 0.287 362 V C -0.357 175.679 176.094 -0.097 0.000 1.020 362 V CA -0.645 61.620 62.300 -0.058 0.000 0.850 362 V CB 1.474 33.277 31.823 -0.033 0.000 0.987 362 V HN 0.619 nan 8.190 nan 0.000 0.436 363 V N 4.481 124.305 119.914 -0.151 0.000 2.333 363 V HA 0.310 4.431 4.120 0.000 0.000 0.274 363 V C 0.480 176.505 176.094 -0.115 0.000 1.028 363 V CA -0.076 62.106 62.300 -0.197 0.000 0.851 363 V CB 1.731 33.319 31.823 -0.391 0.000 1.000 363 V HN 0.969 nan 8.190 nan 0.000 0.456 364 T N 5.416 119.935 114.554 -0.058 0.000 2.771 364 T HA 0.505 4.855 4.350 0.000 0.000 0.291 364 T C -0.191 174.526 174.700 0.029 0.000 0.954 364 T CA -0.225 61.870 62.100 -0.007 0.000 1.045 364 T CB 1.294 70.161 68.868 -0.003 0.000 0.917 364 T HN 0.341 nan 8.240 nan 0.000 0.484 365 V N 2.624 122.586 119.914 0.081 0.000 2.448 365 V HA 0.826 4.946 4.120 0.000 0.000 0.295 365 V C -0.080 176.094 176.094 0.134 0.000 1.025 365 V CA -0.886 61.498 62.300 0.140 0.000 0.859 365 V CB 1.378 33.339 31.823 0.229 0.000 0.988 365 V HN 1.059 nan 8.190 nan 0.000 0.431 366 A N 3.408 126.283 122.820 0.091 0.000 2.408 366 A HA 0.982 5.302 4.320 0.000 0.000 0.295 366 A C -0.123 177.481 177.584 0.033 0.000 1.040 366 A CA 0.079 52.153 52.037 0.060 0.000 0.707 366 A CB 1.796 20.816 19.000 0.033 0.000 1.235 366 A HN 1.271 nan 8.150 nan 0.000 0.418 367 G N -0.347 108.477 108.800 0.040 0.000 2.645 367 G HA2 0.643 4.603 3.960 0.000 0.000 0.292 367 G HA3 0.643 4.603 3.960 0.000 0.000 0.292 367 G C -1.814 173.098 174.900 0.019 0.000 1.415 367 G CA -0.473 44.628 45.100 0.002 0.000 0.785 367 G HN 1.175 nan 8.290 nan 0.000 0.483 368 V N 0.013 119.923 119.914 -0.007 0.000 2.789 368 V HA 0.730 4.850 4.120 0.000 0.000 0.311 368 V C -0.342 175.727 176.094 -0.041 0.000 1.073 368 V CA -0.715 61.585 62.300 0.000 0.000 0.921 368 V CB 2.028 33.848 31.823 -0.005 0.000 1.009 368 V HN 0.773 nan 8.190 nan 0.000 0.426 369 S N 3.750 119.419 115.700 -0.052 0.000 2.502 369 S HA 0.574 5.044 4.470 0.000 0.000 0.304 369 S C -0.701 173.625 174.600 -0.457 0.000 1.097 369 S CA -0.808 57.239 58.200 -0.255 0.000 1.045 369 S CB 1.191 64.309 63.200 -0.135 0.000 1.019 369 S HN 0.743 nan 8.310 nan 0.000 0.481 370 N N 1.791 120.132 118.700 -0.598 0.000 2.362 370 N HA 0.659 5.399 4.740 0.000 0.000 0.298 370 N C -1.404 173.718 175.510 -0.646 0.000 1.048 370 N CA -0.215 52.583 53.050 -0.420 0.000 0.858 370 N CB 1.337 39.738 38.487 -0.142 0.000 1.218 370 N HN 0.407 nan 8.380 nan 0.000 0.488 371 F N -0.224 119.743 119.950 0.028 0.000 2.613 371 F HA 0.388 4.915 4.527 0.000 0.000 0.314 371 F C 0.400 176.205 175.800 0.008 0.000 1.075 371 F CA -0.882 57.117 58.000 -0.002 0.000 0.945 371 F CB 1.779 40.749 39.000 -0.050 0.000 1.310 371 F HN 0.139 nan 8.300 nan 0.000 0.467 372 E N 1.987 122.298 120.200 0.186 0.000 2.166 372 E HA 0.717 5.067 4.350 0.000 0.000 0.275 372 E C -1.305 175.446 176.600 0.251 0.000 0.941 372 E CA -0.557 55.925 56.400 0.138 0.000 0.784 372 E CB 2.026 31.613 29.700 -0.189 0.000 1.115 372 E HN 0.421 nan 8.360 nan 0.000 0.399 373 L N 3.113 124.528 121.223 0.319 0.000 2.376 373 L HA 0.586 4.926 4.340 0.000 0.000 0.258 373 L C -0.798 176.282 176.870 0.349 0.000 1.013 373 L CA -0.862 54.133 54.840 0.259 0.000 0.822 373 L CB 2.002 43.967 42.059 -0.156 0.000 1.388 373 L HN 0.441 nan 8.230 nan 0.000 0.413 374 I N 3.267 124.052 120.570 0.358 0.000 2.382 374 I HA 0.341 4.511 4.170 0.000 0.000 0.286 374 I C -2.216 174.111 176.117 0.349 0.000 1.002 374 I CA -1.879 59.585 61.300 0.274 0.000 1.135 374 I CB 2.246 40.352 38.000 0.176 0.000 1.288 374 I HN 0.260 nan 8.210 nan 0.000 0.448 375 P HA 0.049 nan 4.420 nan 0.000 0.272 375 P C -0.993 176.307 177.300 -0.001 0.000 1.223 375 P CA -0.312 62.816 63.100 0.047 0.000 0.784 375 P CB 0.440 32.117 31.700 -0.038 0.000 0.923 376 N N 2.353 120.990 118.700 -0.105 0.000 2.317 376 N HA 0.082 4.822 4.740 0.000 0.000 0.245 376 N C -1.947 173.533 175.510 -0.051 0.000 1.294 376 N CA -1.582 51.433 53.050 -0.059 0.000 0.924 376 N CB -1.534 36.900 38.487 -0.088 0.000 1.186 376 N HN 0.160 nan 8.380 nan 0.000 0.495 377 P HA -0.153 nan 4.420 nan 0.000 0.216 377 P C 0.965 178.243 177.300 -0.038 0.000 1.153 377 P CA 1.546 64.631 63.100 -0.026 0.000 0.858 377 P CB 0.161 31.851 31.700 -0.017 0.000 0.789 378 E N -0.810 119.360 120.200 -0.050 0.000 2.047 378 E HA -0.115 4.235 4.350 0.000 0.000 0.191 378 E C 1.876 178.438 176.600 -0.062 0.000 0.987 378 E CA 0.846 57.215 56.400 -0.051 0.000 0.799 378 E CB -1.075 28.595 29.700 -0.052 0.000 0.752 378 E HN 0.065 nan 8.360 nan 0.000 0.449 379 L N -0.275 120.891 121.223 -0.096 0.000 2.201 379 L HA -0.055 4.286 4.340 0.000 0.000 0.212 379 L C 2.038 178.864 176.870 -0.073 0.000 1.105 379 L CA 1.202 55.975 54.840 -0.112 0.000 0.775 379 L CB -0.274 41.654 42.059 -0.219 0.000 0.913 379 L HN 0.173 nan 8.230 nan 0.000 0.440 380 A N -0.652 122.133 122.820 -0.058 0.000 2.070 380 A HA -0.217 4.103 4.320 0.000 0.000 0.220 380 A C 2.209 179.778 177.584 -0.025 0.000 1.159 380 A CA 1.461 53.480 52.037 -0.031 0.000 0.656 380 A CB -0.387 18.600 19.000 -0.021 0.000 0.800 380 A HN 0.411 nan 8.150 nan 0.000 0.453 381 K N -0.629 119.755 120.400 -0.028 0.000 2.283 381 K HA -0.028 4.292 4.320 0.000 0.000 0.202 381 K C 0.575 177.164 176.600 -0.018 0.000 1.048 381 K CA 1.038 57.312 56.287 -0.021 0.000 0.948 381 K CB -0.010 32.477 32.500 -0.022 0.000 0.742 381 K HN 0.396 nan 8.250 nan 0.000 0.458 382 N N -0.078 118.611 118.700 -0.020 0.000 2.143 382 N HA 0.026 4.766 4.740 0.000 0.000 0.222 382 N C -0.968 174.539 175.510 -0.004 0.000 1.264 382 N CA -0.058 52.985 53.050 -0.012 0.000 0.897 382 N CB 0.871 39.350 38.487 -0.013 0.000 1.092 382 N HN -0.003 nan 8.380 nan 0.000 0.516 383 L N 2.409 123.630 121.223 -0.005 0.000 2.294 383 L HA 0.452 4.792 4.340 0.000 0.000 0.283 383 L C -0.421 176.455 176.870 0.010 0.000 1.015 383 L CA -0.760 54.089 54.840 0.014 0.000 0.831 383 L CB 1.051 43.126 42.059 0.026 0.000 1.217 383 L HN -0.289 nan 8.230 nan 0.000 0.420 384 V N 4.372 124.290 119.914 0.007 0.000 2.637 384 V HA 0.398 4.518 4.120 0.000 0.000 0.296 384 V C 0.674 176.754 176.094 -0.024 0.000 1.046 384 V CA 0.001 62.294 62.300 -0.012 0.000 1.066 384 V CB 1.315 33.132 31.823 -0.011 0.000 0.968 384 V HN 0.941 nan 8.190 nan 0.000 0.483 385 T N 2.580 117.097 114.554 -0.062 0.000 2.887 385 T HA 0.798 5.148 4.350 0.000 0.000 0.288 385 T C -0.824 173.762 174.700 -0.191 0.000 1.021 385 T CA -0.901 61.131 62.100 -0.114 0.000 1.000 385 T CB 2.341 71.144 68.868 -0.108 0.000 1.034 385 T HN 0.690 nan 8.240 nan 0.000 0.467 386 E N 0.607 120.636 120.200 -0.285 0.000 2.449 386 E HA 0.265 4.615 4.350 0.000 0.000 0.278 386 E C -0.469 175.887 176.600 -0.406 0.000 0.992 386 E CA -0.929 55.296 56.400 -0.290 0.000 0.807 386 E CB 1.370 30.988 29.700 -0.137 0.000 1.350 386 E HN 0.663 nan 8.360 nan 0.000 0.462 387 Y N 0.856 121.093 120.300 -0.106 0.000 2.395 387 Y HA 0.147 4.697 4.550 0.000 0.000 0.293 387 Y C 1.248 177.155 175.900 0.011 0.000 1.123 387 Y CA 1.314 59.396 58.100 -0.030 0.000 1.227 387 Y CB 0.527 38.995 38.460 0.014 0.000 1.012 387 Y HN 0.802 nan 8.280 nan 0.000 0.552 388 G N 1.069 109.936 108.800 0.113 0.000 3.039 388 G HA2 -0.221 3.739 3.960 0.000 0.000 0.686 388 G HA3 -0.221 3.739 3.960 0.000 0.000 0.686 388 G C -0.655 174.346 174.900 0.170 0.000 1.066 388 G CA -0.867 44.313 45.100 0.133 0.000 0.774 388 G HN 0.232 nan 8.290 nan 0.000 0.591 389 R N 0.149 120.731 120.500 0.136 0.000 2.489 389 R HA 0.005 4.345 4.340 0.000 0.000 0.287 389 R C 0.501 176.908 176.300 0.178 0.000 0.902 389 R CA 0.196 56.377 56.100 0.134 0.000 1.136 389 R CB -0.040 30.313 30.300 0.089 0.000 0.872 389 R HN 0.658 nan 8.270 nan 0.000 0.421 390 F N 4.115 124.086 119.950 0.034 0.000 2.438 390 F HA 0.149 4.676 4.527 0.000 0.000 0.356 390 F C -0.245 175.566 175.800 0.018 0.000 1.099 390 F CA -0.842 57.170 58.000 0.020 0.000 1.185 390 F CB 0.829 39.834 39.000 0.009 0.000 1.115 390 F HN 0.419 nan 8.300 nan 0.000 0.526 391 D N 9.038 129.121 120.400 -0.529 0.000 2.429 391 D HA 0.243 4.884 4.640 0.000 0.000 0.255 391 D C -1.590 174.358 176.300 -0.586 0.000 1.257 391 D CA -1.800 51.894 54.000 -0.510 0.000 0.890 391 D CB 1.229 41.923 40.800 -0.176 0.000 1.267 391 D HN 0.285 nan 8.370 nan 0.000 0.521 392 P HA -0.169 nan 4.420 nan 0.000 0.219 392 P C 1.030 178.243 177.300 -0.145 0.000 1.158 392 P CA 1.453 64.260 63.100 -0.490 0.000 0.895 392 P CB 0.329 31.793 31.700 -0.392 0.000 0.792 393 G N -1.799 106.928 108.800 -0.122 0.000 3.393 393 G HA2 0.346 4.306 3.960 0.000 0.000 0.255 393 G HA3 0.346 4.306 3.960 0.000 0.000 0.255 393 G C 1.528 176.459 174.900 0.052 0.000 1.097 393 G CA 0.537 45.632 45.100 -0.008 0.000 0.780 393 G HN 0.408 nan 8.290 nan 0.000 0.540 394 A N 0.824 123.650 122.820 0.010 0.000 1.902 394 A HA -0.042 4.278 4.320 0.000 0.000 0.217 394 A C 2.171 179.843 177.584 0.147 0.000 1.181 394 A CA 2.037 54.132 52.037 0.096 0.000 0.623 394 A CB -0.238 18.797 19.000 0.058 0.000 0.818 394 A HN 0.396 nan 8.150 nan 0.000 0.443 395 M N 0.405 120.040 119.600 0.059 0.000 2.132 395 M HA -0.084 4.396 4.480 0.000 0.000 0.263 395 M C 1.444 177.808 176.300 0.107 0.000 1.065 395 M CA 1.714 57.044 55.300 0.051 0.000 1.122 395 M CB -0.727 31.872 32.600 -0.002 0.000 1.365 395 M HN 0.389 nan 8.290 nan 0.000 0.411 396 N N -0.915 117.849 118.700 0.107 0.000 2.166 396 N HA -0.193 4.547 4.740 0.000 0.000 0.186 396 N C 1.703 177.283 175.510 0.118 0.000 1.019 396 N CA 1.401 54.513 53.050 0.103 0.000 0.856 396 N CB -0.667 37.879 38.487 0.098 0.000 0.993 396 N HN 0.494 nan 8.380 nan 0.000 0.426 397 Y N 1.818 122.152 120.300 0.056 0.000 2.242 397 Y HA -0.143 4.407 4.550 0.000 0.000 0.291 397 Y C 2.332 178.281 175.900 0.083 0.000 1.137 397 Y CA 1.412 59.549 58.100 0.062 0.000 1.181 397 Y CB -0.446 38.051 38.460 0.061 0.000 0.989 397 Y HN 0.028 nan 8.280 nan 0.000 0.527 398 T N -0.048 114.619 114.554 0.190 0.000 2.746 398 T HA -0.177 4.173 4.350 0.000 0.000 0.267 398 T C 1.825 176.588 174.700 0.106 0.000 1.039 398 T CA 1.762 63.975 62.100 0.188 0.000 1.142 398 T CB -0.155 68.914 68.868 0.335 0.000 0.866 398 T HN 0.253 nan 8.240 nan 0.000 0.444 399 K N 0.504 120.961 120.400 0.095 0.000 2.057 399 K HA -0.032 4.288 4.320 0.000 0.000 0.207 399 K C 2.218 178.812 176.600 -0.010 0.000 1.049 399 K CA 0.935 57.258 56.287 0.059 0.000 0.931 399 K CB -0.395 32.141 32.500 0.061 0.000 0.714 399 K HN 0.142 nan 8.250 nan 0.000 0.440 400 L N 1.494 122.677 121.223 -0.067 0.000 1.989 400 L HA -0.199 4.141 4.340 0.000 0.000 0.211 400 L C 1.912 178.695 176.870 -0.144 0.000 1.071 400 L CA 1.658 56.422 54.840 -0.126 0.000 0.749 400 L CB -0.470 41.457 42.059 -0.220 0.000 0.890 400 L HN 0.082 nan 8.230 nan 0.000 0.431 401 I N -0.151 120.300 120.570 -0.198 0.000 2.091 401 I HA -0.328 3.842 4.170 0.000 0.000 0.239 401 I C 2.631 178.710 176.117 -0.062 0.000 1.061 401 I CA 1.753 62.965 61.300 -0.147 0.000 1.317 401 I CB -1.357 36.567 38.000 -0.128 0.000 1.031 401 I HN 0.336 nan 8.210 nan 0.000 0.401 402 L N 0.373 121.582 121.223 -0.025 0.000 2.131 402 L HA -0.186 4.154 4.340 0.000 0.000 0.210 402 L C 2.673 179.525 176.870 -0.029 0.000 1.092 402 L CA 1.514 56.346 54.840 -0.012 0.000 0.759 402 L CB -0.658 41.413 42.059 0.021 0.000 0.903 402 L HN 0.329 nan 8.230 nan 0.000 0.435 403 S N -0.601 115.079 115.700 -0.032 0.000 2.428 403 S HA -0.111 4.359 4.470 0.000 0.000 0.230 403 S C 1.577 176.154 174.600 -0.040 0.000 1.014 403 S CA 0.782 58.962 58.200 -0.034 0.000 0.957 403 S CB -0.052 63.130 63.200 -0.029 0.000 0.784 403 S HN 0.332 nan 8.310 nan 0.000 0.499 404 E N 1.169 121.341 120.200 -0.046 0.000 2.419 404 E HA 0.185 4.535 4.350 0.000 0.000 0.190 404 E C 1.559 178.133 176.600 -0.043 0.000 1.040 404 E CA -0.196 56.178 56.400 -0.043 0.000 0.900 404 E CB -0.159 29.513 29.700 -0.045 0.000 1.054 404 E HN 0.623 nan 8.360 nan 0.000 0.462 405 R N 1.272 121.742 120.500 -0.050 0.000 2.134 405 R HA -0.250 4.090 4.340 0.000 0.000 0.248 405 R C 1.067 177.319 176.300 -0.081 0.000 1.143 405 R CA 1.966 58.027 56.100 -0.064 0.000 0.957 405 R CB 0.221 30.478 30.300 -0.073 0.000 0.867 405 R HN -0.012 nan 8.270 nan 0.000 0.441 406 E N -0.332 119.824 120.200 -0.073 0.000 2.107 406 E HA -0.105 4.245 4.350 0.000 0.000 0.191 406 E C 2.112 178.676 176.600 -0.060 0.000 0.982 406 E CA 1.110 57.463 56.400 -0.079 0.000 0.809 406 E CB -0.099 29.561 29.700 -0.067 0.000 0.756 406 E HN 0.290 nan 8.360 nan 0.000 0.459 407 R N -0.081 120.395 120.500 -0.040 0.000 2.092 407 R HA 0.038 4.378 4.340 0.000 0.000 0.231 407 R C 1.742 178.038 176.300 -0.006 0.000 1.119 407 R CA 0.827 56.915 56.100 -0.021 0.000 0.970 407 R CB -0.013 30.279 30.300 -0.013 0.000 0.864 407 R HN 0.174 nan 8.270 nan 0.000 0.440 408 L N -0.902 120.318 121.223 -0.006 0.000 2.509 408 L HA 0.213 4.553 4.340 0.000 0.000 0.222 408 L C 0.965 177.847 176.870 0.020 0.000 1.123 408 L CA 0.420 55.283 54.840 0.038 0.000 0.856 408 L CB 0.174 42.264 42.059 0.052 0.000 0.985 408 L HN 0.474 nan 8.230 nan 0.000 0.456 409 G N 1.570 110.327 108.800 -0.072 0.000 2.246 409 G HA2 -0.280 3.680 3.960 0.000 0.000 0.273 409 G HA3 -0.280 3.680 3.960 0.000 0.000 0.273 409 G C -0.155 174.530 174.900 -0.359 0.000 1.055 409 G CA -0.208 44.782 45.100 -0.183 0.000 0.851 409 G HN 0.176 nan 8.290 nan 0.000 0.500 410 I N 1.001 121.401 120.570 -0.284 0.000 2.347 410 I HA 0.301 4.471 4.170 0.000 0.000 0.294 410 I C 0.872 176.697 176.117 -0.486 0.000 1.090 410 I CA 0.031 61.137 61.300 -0.324 0.000 1.314 410 I CB 0.695 38.645 38.000 -0.084 0.000 1.423 410 I HN 0.180 nan 8.210 nan 0.000 0.503 411 K N 3.280 123.062 120.400 -1.031 0.000 2.132 411 K HA 0.515 4.835 4.320 0.000 0.000 0.241 411 K C 0.984 177.297 176.600 -0.478 0.000 1.000 411 K CA -0.464 55.248 56.287 -0.958 0.000 0.911 411 K CB 0.916 32.462 32.500 -1.589 0.000 1.093 411 K HN 0.601 nan 8.250 nan 0.000 0.460 412 T N -3.375 110.995 114.554 -0.307 0.000 3.014 412 T HA 0.096 4.446 4.350 0.000 0.000 0.250 412 T C 0.495 175.171 174.700 -0.039 0.000 1.060 412 T CA -0.241 61.806 62.100 -0.088 0.000 1.040 412 T CB -0.074 68.753 68.868 -0.070 0.000 0.971 412 T HN 0.352 nan 8.240 nan 0.000 0.497 413 V N -1.086 118.737 119.914 -0.151 0.000 2.482 413 V HA 0.807 4.927 4.120 0.000 0.000 0.295 413 V C -1.799 174.259 176.094 -0.059 0.000 1.026 413 V CA -1.632 60.654 62.300 -0.022 0.000 0.856 413 V CB 0.591 32.396 31.823 -0.030 0.000 1.001 413 V HN 0.347 nan 8.190 nan 0.000 0.424 414 W N 3.447 124.689 121.300 -0.097 0.000 2.882 414 W HA 0.782 5.442 4.660 0.000 0.000 0.345 414 W C -2.894 173.621 176.519 -0.006 0.000 1.125 414 W CA -2.784 54.532 57.345 -0.048 0.000 1.167 414 W CB 1.168 30.618 29.460 -0.017 0.000 1.431 414 W HN 0.298 nan 8.180 nan 0.000 0.543 415 P HA 0.155 nan 4.420 nan 0.000 0.276 415 P C 0.821 178.254 177.300 0.221 0.000 1.230 415 P CA 0.218 63.429 63.100 0.186 0.000 0.776 415 P CB 0.998 32.787 31.700 0.149 0.000 0.888 416 T N 2.286 116.934 114.554 0.157 0.000 2.759 416 T HA -0.194 4.156 4.350 0.000 0.000 0.269 416 T C 1.726 176.515 174.700 0.149 0.000 1.042 416 T CA 1.245 63.434 62.100 0.149 0.000 1.140 416 T CB -0.345 68.583 68.868 0.100 0.000 0.864 416 T HN 0.471 nan 8.240 nan 0.000 0.455 417 R N 1.112 121.684 120.500 0.119 0.000 2.105 417 R HA -0.131 4.210 4.340 0.000 0.000 0.239 417 R C 2.347 178.711 176.300 0.106 0.000 1.135 417 R CA 1.866 58.022 56.100 0.092 0.000 0.967 417 R CB -0.185 30.160 30.300 0.075 0.000 0.861 417 R HN 0.517 nan 8.270 nan 0.000 0.442 418 E N -0.713 119.587 120.200 0.166 0.000 2.107 418 E HA -0.231 4.120 4.350 0.000 0.000 0.191 418 E C 1.680 178.422 176.600 0.236 0.000 0.982 418 E CA 0.907 57.436 56.400 0.215 0.000 0.809 418 E CB -0.219 29.652 29.700 0.285 0.000 0.756 418 E HN 0.457 nan 8.360 nan 0.000 0.459 419 Y N 1.328 121.644 120.300 0.027 0.000 2.224 419 Y HA -0.163 4.387 4.550 0.000 0.000 0.289 419 Y C 2.273 178.079 175.900 -0.157 0.000 1.146 419 Y CA 1.983 59.843 58.100 -0.399 0.000 1.182 419 Y CB -0.556 37.540 38.460 -0.608 0.000 0.983 419 Y HN -0.010 nan 8.280 nan 0.000 0.524 420 T N 0.317 114.782 114.554 -0.148 0.000 2.746 420 T HA -0.162 4.189 4.350 0.000 0.000 0.267 420 T C 1.414 176.042 174.700 -0.121 0.000 1.039 420 T CA 1.636 63.636 62.100 -0.167 0.000 1.142 420 T CB -0.301 68.546 68.868 -0.036 0.000 0.866 420 T HN 0.398 nan 8.240 nan 0.000 0.444 421 D N 0.582 120.964 120.400 -0.029 0.000 2.117 421 D HA -0.062 4.579 4.640 0.000 0.000 0.197 421 D C 1.757 178.066 176.300 0.016 0.000 0.987 421 D CA 0.751 54.755 54.000 0.007 0.000 0.829 421 D CB -0.427 40.370 40.800 -0.005 0.000 0.961 421 D HN 0.371 nan 8.370 nan 0.000 0.460 422 F N 2.296 122.153 119.950 -0.155 0.000 2.161 422 F HA -0.152 4.375 4.527 0.000 0.000 0.300 422 F C 2.253 177.991 175.800 -0.104 0.000 1.089 422 F CA 1.370 59.297 58.000 -0.120 0.000 1.282 422 F CB -0.032 38.840 39.000 -0.214 0.000 1.010 422 F HN -0.211 nan 8.300 nan 0.000 0.485 423 R N 0.097 120.351 120.500 -0.408 0.000 2.081 423 R HA -0.182 4.158 4.340 0.000 0.000 0.235 423 R C 2.273 178.438 176.300 -0.226 0.000 1.131 423 R CA 1.716 57.574 56.100 -0.403 0.000 0.960 423 R CB -0.611 29.457 30.300 -0.386 0.000 0.856 423 R HN 0.445 nan 8.270 nan 0.000 0.436 424 E N 0.044 120.175 120.200 -0.115 0.000 2.028 424 E HA -0.195 4.155 4.350 0.000 0.000 0.191 424 E C 1.365 177.976 176.600 0.019 0.000 0.988 424 E CA 1.050 57.428 56.400 -0.036 0.000 0.799 424 E CB -0.052 29.672 29.700 0.040 0.000 0.755 424 E HN 0.275 nan 8.360 nan 0.000 0.447 425 Y N -0.497 119.733 120.300 -0.118 0.000 2.556 425 Y HA -0.170 4.380 4.550 0.000 0.000 0.290 425 Y C 1.656 177.524 175.900 -0.053 0.000 1.149 425 Y CA 1.216 59.274 58.100 -0.070 0.000 1.329 425 Y CB -0.204 38.241 38.460 -0.025 0.000 0.975 425 Y HN 0.229 nan 8.280 nan 0.000 0.561 426 F N -1.158 118.654 119.950 -0.231 0.000 2.274 426 F HA -0.058 4.469 4.527 0.000 0.000 0.288 426 F C 1.804 177.495 175.800 -0.182 0.000 1.069 426 F CA 0.355 58.190 58.000 -0.276 0.000 1.343 426 F CB 0.038 38.730 39.000 -0.513 0.000 1.089 426 F HN -0.126 nan 8.300 nan 0.000 0.517 427 M N 0.501 119.900 119.600 -0.336 0.000 2.700 427 M HA -0.092 4.388 4.480 0.000 0.000 0.249 427 M C 0.856 177.019 176.300 -0.229 0.000 1.082 427 M CA 0.864 55.928 55.300 -0.393 0.000 1.077 427 M CB -0.037 32.380 32.600 -0.304 0.000 1.477 427 M HN 0.108 nan 8.290 nan 0.000 0.529 428 E N -0.749 119.356 120.200 -0.157 0.000 2.399 428 E HA 0.120 4.470 4.350 0.000 0.000 0.205 428 E C 1.438 177.978 176.600 -0.100 0.000 0.906 428 E CA 0.514 56.832 56.400 -0.136 0.000 0.998 428 E CB 0.305 29.903 29.700 -0.170 0.000 1.002 428 E HN 0.227 nan 8.360 nan 0.000 0.501 429 V N 1.264 121.150 119.914 -0.046 0.000 3.490 429 V HA 0.329 4.449 4.120 0.000 0.000 0.315 429 V C 0.487 176.602 176.094 0.036 0.000 1.284 429 V CA 0.610 62.916 62.300 0.010 0.000 1.233 429 V CB -0.909 30.961 31.823 0.079 0.000 1.101 429 V HN 0.189 nan 8.190 nan 0.000 0.425 430 A N 0.000 122.800 122.820 -0.033 0.000 2.254 430 A HA 0.000 4.320 4.320 0.000 0.000 0.244 430 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 430 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486