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 3ite_1_A DATA FIRST_RESID 13 DATA SEQUENCE STVPPSHYIE TWAKTHPEWK AVEVATGFXX XXXIVTEDWT YKKLNETANQ DATA SEQUENCE VANLIIHASL HGRAIAVSLD RSLIAFAIIV GIXKSGNTYV PIEAGLPNDR DATA SEQUENCE KSFLLRDSRA AXAFVCDNNF DGVELPPETK VLDTKNQSFI ENLSTQDTSD DATA SEQUENCE ILNNYPENLD AYLLYTSXXX GTPKGVRVSR HNLSSFSDAW GKLIGNVAPK DATA SEQUENCE SLELGGVGKF LCLASRAFDV HIGEXFLAWR FGLCAVTGER LSXLDDLPRT DATA SEQUENCE FRELGVTHAG IVPSLLDQTG LVPEDAPHLV YLGVGGEKXT PRTQQIWSSS DATA SEQUENCE DRVALVNVYG PTEVTIGCSA GRILPDSDTR CIGHPLGDSV AHVLAPGSNE DATA SEQUENCE HVKKGXAGEL VIEGSLVANG YLNRPDAKGF CDINGRKXYR TGDIVRXDAD DATA SEQUENCE SSILFLGRKD 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.676 174.600 0.127 0.000 1.055 13 S CA 0.000 58.264 58.200 0.107 0.000 1.107 13 S CB 0.000 63.220 63.200 0.033 0.000 0.593 14 T N -1.442 113.176 114.554 0.106 0.000 2.843 14 T HA 0.767 5.117 4.350 0.000 0.000 0.302 14 T C 0.114 174.796 174.700 -0.030 0.000 1.232 14 T CA -0.381 61.740 62.100 0.036 0.000 1.009 14 T CB 0.584 69.468 68.868 0.026 0.000 1.254 14 T HN 2.047 nan 8.240 nan 0.000 0.504 15 V N -0.885 118.952 119.914 -0.127 0.000 3.051 15 V HA 0.581 4.701 4.120 0.000 0.000 0.306 15 V C -2.506 173.551 176.094 -0.061 0.000 1.083 15 V CA -1.662 60.507 62.300 -0.218 0.000 1.104 15 V CB -0.610 30.827 31.823 -0.644 0.000 1.027 15 V HN 0.836 nan 8.190 nan 0.000 0.483 16 P HA 0.332 nan 4.420 nan 0.000 0.274 16 P C -2.293 175.092 177.300 0.142 0.000 1.246 16 P CA -1.799 61.356 63.100 0.092 0.000 0.795 16 P CB -0.127 31.645 31.700 0.120 0.000 1.006 17 P HA -0.164 nan 4.420 nan 0.000 0.216 17 P C 1.168 178.715 177.300 0.411 0.000 1.150 17 P CA 1.883 65.071 63.100 0.146 0.000 0.843 17 P CB -0.341 31.352 31.700 -0.012 0.000 0.787 18 S N -2.496 113.413 115.700 0.349 0.000 2.671 18 S HA -0.012 4.459 4.470 0.000 0.000 0.220 18 S C 1.677 176.387 174.600 0.182 0.000 0.951 18 S CA -0.068 58.328 58.200 0.327 0.000 0.932 18 S CB -1.278 62.035 63.200 0.190 0.000 0.777 18 S HN 0.164 nan 8.310 nan 0.000 0.508 19 H N 1.237 120.343 119.070 0.061 0.000 2.352 19 H HA -0.131 4.425 4.556 0.000 0.000 0.299 19 H C 1.177 176.311 175.328 -0.322 0.000 1.097 19 H CA 2.282 58.218 56.048 -0.187 0.000 1.311 19 H CB -0.417 29.131 29.762 -0.358 0.000 1.377 19 H HN 0.559 nan 8.280 nan 0.000 0.504 20 Y N -0.429 119.838 120.300 -0.054 0.000 2.337 20 Y HA -0.021 4.529 4.550 0.000 0.000 0.293 20 Y C 2.560 178.332 175.900 -0.213 0.000 1.123 20 Y CA 0.895 58.840 58.100 -0.259 0.000 1.201 20 Y CB -0.179 38.372 38.460 0.151 0.000 1.011 20 Y HN 0.206 nan 8.280 nan 0.000 0.545 21 I N 0.154 120.814 120.570 0.151 0.000 2.163 21 I HA -0.339 3.831 4.170 0.000 0.000 0.243 21 I C 2.067 178.164 176.117 -0.033 0.000 1.085 21 I CA 1.740 63.100 61.300 0.100 0.000 1.347 21 I CB -0.313 37.590 38.000 -0.163 0.000 1.044 21 I HN 0.278 nan 8.210 nan 0.000 0.408 22 E N -0.016 120.077 120.200 -0.179 0.000 2.072 22 E HA -0.161 4.189 4.350 0.000 0.000 0.191 22 E C 2.148 178.543 176.600 -0.342 0.000 0.985 22 E CA 1.737 58.006 56.400 -0.219 0.000 0.801 22 E CB -0.072 29.498 29.700 -0.217 0.000 0.750 22 E HN 0.448 nan 8.360 nan 0.000 0.452 23 T N 0.090 114.280 114.554 -0.607 0.000 2.674 23 T HA -0.170 4.181 4.350 0.000 0.000 0.265 23 T C 1.357 175.696 174.700 -0.602 0.000 1.039 23 T CA 1.386 63.035 62.100 -0.752 0.000 1.150 23 T CB -0.416 67.751 68.868 -1.170 0.000 0.864 23 T HN 0.374 nan 8.240 nan 0.000 0.427 24 W N 1.395 122.540 121.300 -0.259 0.000 2.402 24 W HA 0.184 4.844 4.660 0.000 0.000 0.286 24 W C 2.801 179.128 176.519 -0.320 0.000 1.221 24 W CA 0.094 57.202 57.345 -0.396 0.000 1.257 24 W CB -0.385 28.572 29.460 -0.838 0.000 1.120 24 W HN 0.190 nan 8.180 nan 0.000 0.551 25 A N 1.142 123.956 122.820 -0.009 0.000 1.940 25 A HA -0.222 4.099 4.320 0.000 0.000 0.219 25 A C 1.857 179.398 177.584 -0.073 0.000 1.176 25 A CA 1.915 53.973 52.037 0.035 0.000 0.631 25 A CB -0.536 18.475 19.000 0.019 0.000 0.814 25 A HN 0.315 nan 8.150 nan 0.000 0.446 26 K N -0.919 119.395 120.400 -0.143 0.000 2.044 26 K HA -0.063 4.257 4.320 0.000 0.000 0.204 26 K C 2.312 178.786 176.600 -0.211 0.000 1.049 26 K CA 1.727 57.915 56.287 -0.166 0.000 0.945 26 K CB -0.299 32.090 32.500 -0.186 0.000 0.724 26 K HN 0.670 nan 8.250 nan 0.000 0.440 27 T N -1.627 112.771 114.554 -0.260 0.000 2.978 27 T HA -0.038 4.313 4.350 0.000 0.000 0.262 27 T C 0.758 174.983 174.700 -0.791 0.000 1.063 27 T CA 0.603 62.446 62.100 -0.428 0.000 1.140 27 T CB 0.009 68.681 68.868 -0.326 0.000 0.886 27 T HN 0.117 nan 8.240 nan 0.000 0.470 28 H N 1.203 120.036 119.070 -0.395 0.000 2.439 28 H HA 0.279 4.835 4.556 0.000 0.000 0.228 28 H C -2.176 172.916 175.328 -0.392 0.000 1.423 28 H CA -1.610 54.023 56.048 -0.691 0.000 1.386 28 H CB 1.283 29.863 29.762 -1.971 0.000 1.641 28 H HN 0.304 nan 8.280 nan 0.000 0.508 29 P HA -0.164 nan 4.420 nan 0.000 0.222 29 P C 1.328 178.693 177.300 0.108 0.000 1.147 29 P CA 1.163 64.273 63.100 0.017 0.000 0.790 29 P CB 0.485 32.169 31.700 -0.026 0.000 0.780 30 E N -1.470 118.786 120.200 0.094 0.000 2.442 30 E HA -0.081 4.269 4.350 0.000 0.000 0.195 30 E C 0.344 177.160 176.600 0.360 0.000 1.030 30 E CA -0.115 56.394 56.400 0.181 0.000 0.869 30 E CB -0.803 28.982 29.700 0.142 0.000 0.857 30 E HN 0.103 nan 8.360 nan 0.000 0.505 31 W N 2.983 124.404 121.300 0.202 0.000 2.364 31 W HA 0.022 4.682 4.660 0.000 0.000 0.343 31 W C 0.798 177.470 176.519 0.255 0.000 1.237 31 W CA -0.445 57.032 57.345 0.219 0.000 1.319 31 W CB 0.225 29.830 29.460 0.242 0.000 1.179 31 W HN -0.207 nan 8.180 nan 0.000 0.578 32 K N 2.440 123.043 120.400 0.337 0.000 2.276 32 K HA 0.393 4.713 4.320 0.000 0.000 0.283 32 K C 0.600 177.232 176.600 0.054 0.000 1.044 32 K CA -0.038 56.344 56.287 0.159 0.000 0.944 32 K CB 1.103 33.646 32.500 0.072 0.000 1.012 32 K HN 0.466 nan 8.250 nan 0.000 0.472 33 A N 2.168 124.870 122.820 -0.196 0.000 2.013 33 A HA 0.160 4.480 4.320 0.000 0.000 0.204 33 A C 0.429 177.917 177.584 -0.160 0.000 1.262 33 A CA 0.560 52.288 52.037 -0.514 0.000 0.800 33 A CB 0.450 18.798 19.000 -1.086 0.000 0.909 33 A HN 0.481 nan 8.150 nan 0.000 0.472 34 V N -2.292 117.518 119.914 -0.173 0.000 2.971 34 V HA 0.765 4.886 4.120 0.000 0.000 0.309 34 V C -1.191 174.790 176.094 -0.189 0.000 1.130 34 V CA -0.715 61.396 62.300 -0.315 0.000 0.964 34 V CB 1.693 33.160 31.823 -0.594 0.000 1.029 34 V HN 0.367 nan 8.190 nan 0.000 0.427 35 E N 2.083 122.184 120.200 -0.164 0.000 2.321 35 E HA 0.725 5.075 4.350 0.000 0.000 0.278 35 E C -1.733 174.858 176.600 -0.015 0.000 0.902 35 E CA -0.840 55.509 56.400 -0.085 0.000 0.758 35 E CB 2.740 32.405 29.700 -0.059 0.000 1.213 35 E HN 1.524 nan 8.360 nan 0.000 0.426 36 V N 0.551 120.450 119.914 -0.024 0.000 2.588 36 V HA 0.943 5.063 4.120 0.000 0.000 0.304 36 V C -0.583 175.517 176.094 0.011 0.000 1.042 36 V CA -0.601 61.713 62.300 0.023 0.000 0.877 36 V CB 1.262 33.089 31.823 0.006 0.000 0.996 36 V HN 0.754 nan 8.190 nan 0.000 0.425 37 A N 3.804 126.661 122.820 0.062 0.000 2.276 37 A HA 0.870 5.190 4.320 0.000 0.000 0.316 37 A C 0.363 178.032 177.584 0.141 0.000 1.229 37 A CA -0.288 51.772 52.037 0.038 0.000 0.851 37 A CB 0.691 19.710 19.000 0.031 0.000 1.165 37 A HN 1.106 nan 8.150 nan 0.000 0.513 38 T N 0.391 114.961 114.554 0.026 0.000 2.870 38 T HA 0.854 5.205 4.350 0.000 0.000 0.277 38 T C 1.153 175.831 174.700 -0.037 0.000 1.000 38 T CA 0.168 62.325 62.100 0.094 0.000 0.982 38 T CB 1.306 70.201 68.868 0.045 0.000 1.249 38 T HN 2.192 nan 8.240 nan 0.000 0.589 39 G N 0.148 108.999 108.800 0.086 0.000 3.226 39 G HA2 -0.020 3.940 3.960 0.000 0.000 0.270 39 G HA3 -0.020 3.940 3.960 0.000 0.000 0.270 39 G C -0.112 174.887 174.900 0.166 0.000 1.592 39 G CA 0.046 45.162 45.100 0.027 0.000 1.055 39 G HN 1.146 nan 8.290 nan 0.000 0.582 47 V N 4.241 124.040 119.914 -0.192 0.000 2.567 47 V HA 0.679 4.799 4.120 0.000 0.000 0.289 47 V C 0.492 176.521 176.094 -0.108 0.000 1.049 47 V CA -0.148 62.084 62.300 -0.113 0.000 0.969 47 V CB 1.648 33.430 31.823 -0.068 0.000 0.995 47 V HN 0.862 nan 8.190 nan 0.000 0.471 48 T N 1.283 115.792 114.554 -0.076 0.000 2.896 48 T HA 0.785 5.135 4.350 0.000 0.000 0.297 48 T C -0.956 173.719 174.700 -0.043 0.000 1.108 48 T CA -0.834 61.230 62.100 -0.062 0.000 1.004 48 T CB 2.381 71.210 68.868 -0.066 0.000 1.159 48 T HN 0.886 nan 8.240 nan 0.000 0.499 49 E N 0.996 121.167 120.200 -0.048 0.000 2.343 49 E HA 0.712 5.062 4.350 0.000 0.000 0.270 49 E C -1.734 174.818 176.600 -0.079 0.000 0.895 49 E CA -0.982 55.389 56.400 -0.048 0.000 0.767 49 E CB 1.984 31.651 29.700 -0.054 0.000 1.248 49 E HN 0.775 nan 8.360 nan 0.000 0.440 50 D N 0.408 120.782 120.400 -0.043 0.000 2.596 50 D HA 0.457 5.097 4.640 0.000 0.000 0.262 50 D C -1.306 175.067 176.300 0.121 0.000 1.210 50 D CA -0.626 53.351 54.000 -0.038 0.000 0.873 50 D CB 0.648 41.451 40.800 0.005 0.000 1.408 50 D HN 0.399 nan 8.370 nan 0.000 0.441 51 W N 0.438 121.718 121.300 -0.034 0.000 2.736 51 W HA 0.495 5.156 4.660 0.000 0.000 0.335 51 W C 0.104 176.589 176.519 -0.057 0.000 1.059 51 W CA -1.000 56.321 57.345 -0.040 0.000 1.226 51 W CB 1.644 31.069 29.460 -0.058 0.000 1.416 51 W HN 0.539 nan 8.180 nan 0.000 0.505 52 T N -1.047 113.621 114.554 0.189 0.000 2.795 52 T HA -0.011 4.340 4.350 0.000 0.000 0.314 52 T C 0.939 175.673 174.700 0.056 0.000 1.069 52 T CA 0.263 62.447 62.100 0.138 0.000 1.071 52 T CB 0.685 69.630 68.868 0.130 0.000 0.988 52 T HN 0.342 nan 8.240 nan 0.000 0.543 53 Y N 0.735 121.111 120.300 0.127 0.000 2.151 53 Y HA -0.123 4.427 4.550 0.000 0.000 0.284 53 Y C 2.769 178.656 175.900 -0.021 0.000 1.166 53 Y CA 2.122 60.262 58.100 0.067 0.000 1.163 53 Y CB -0.310 38.245 38.460 0.160 0.000 0.974 53 Y HN 0.741 nan 8.280 nan 0.000 0.511 54 K N 0.474 120.945 120.400 0.119 0.000 2.026 54 K HA -0.259 4.062 4.320 0.000 0.000 0.208 54 K C 2.209 178.750 176.600 -0.098 0.000 1.048 54 K CA 1.789 58.078 56.287 0.003 0.000 0.929 54 K CB -0.124 32.371 32.500 -0.007 0.000 0.713 54 K HN 0.008 nan 8.250 nan 0.000 0.439 55 K N 1.063 121.374 120.400 -0.149 0.000 2.026 55 K HA -0.149 4.171 4.320 0.000 0.000 0.208 55 K C 2.034 178.376 176.600 -0.431 0.000 1.048 55 K CA 1.320 57.393 56.287 -0.358 0.000 0.929 55 K CB -0.585 31.622 32.500 -0.489 0.000 0.713 55 K HN 0.219 nan 8.250 nan 0.000 0.439 56 L N 1.208 122.291 121.223 -0.234 0.000 2.012 56 L HA -0.154 4.186 4.340 0.000 0.000 0.210 56 L C 1.887 178.647 176.870 -0.183 0.000 1.073 56 L CA 2.225 56.987 54.840 -0.130 0.000 0.748 56 L CB -1.132 40.839 42.059 -0.146 0.000 0.891 56 L HN 0.394 nan 8.230 nan 0.000 0.431 57 N N -0.438 118.164 118.700 -0.164 0.000 2.106 57 N HA -0.197 4.543 4.740 0.000 0.000 0.188 57 N C 1.779 177.208 175.510 -0.134 0.000 1.029 57 N CA 1.717 54.685 53.050 -0.136 0.000 0.848 57 N CB -0.096 38.340 38.487 -0.085 0.000 1.007 57 N HN 0.520 nan 8.380 nan 0.000 0.423 58 E N -1.066 119.041 120.200 -0.156 0.000 2.085 58 E HA -0.153 4.197 4.350 0.000 0.000 0.194 58 E C 1.655 178.156 176.600 -0.164 0.000 0.994 58 E CA 1.725 58.033 56.400 -0.154 0.000 0.801 58 E CB -0.159 29.436 29.700 -0.175 0.000 0.743 58 E HN 0.409 nan 8.360 nan 0.000 0.453 59 T N 0.578 114.996 114.554 -0.227 0.000 2.821 59 T HA -0.085 4.265 4.350 0.000 0.000 0.267 59 T C 1.972 176.613 174.700 -0.098 0.000 1.046 59 T CA 1.027 63.008 62.100 -0.199 0.000 1.139 59 T CB -0.164 68.506 68.868 -0.329 0.000 0.871 59 T HN 0.247 nan 8.240 nan 0.000 0.454 60 A N 2.482 125.248 122.820 -0.090 0.000 1.933 60 A HA -0.138 4.182 4.320 0.000 0.000 0.218 60 A C 2.254 179.809 177.584 -0.049 0.000 1.175 60 A CA 1.332 53.333 52.037 -0.060 0.000 0.628 60 A CB -0.563 18.389 19.000 -0.080 0.000 0.814 60 A HN 0.364 nan 8.150 nan 0.000 0.444 61 N N 0.063 118.726 118.700 -0.061 0.000 2.120 61 N HA -0.170 4.570 4.740 0.000 0.000 0.188 61 N C 1.882 177.363 175.510 -0.048 0.000 1.024 61 N CA 1.600 54.622 53.050 -0.047 0.000 0.852 61 N CB -0.479 37.974 38.487 -0.056 0.000 1.003 61 N HN 0.672 nan 8.380 nan 0.000 0.424 62 Q N 0.265 120.028 119.800 -0.061 0.000 2.084 62 Q HA -0.048 4.293 4.340 0.000 0.000 0.202 62 Q C 2.107 178.089 176.000 -0.030 0.000 0.978 62 Q CA 0.998 56.767 55.803 -0.056 0.000 0.844 62 Q CB -0.040 28.652 28.738 -0.076 0.000 0.898 62 Q HN 0.150 nan 8.270 nan 0.000 0.426 63 V N 1.018 120.923 119.914 -0.015 0.000 2.343 63 V HA -0.289 3.831 4.120 0.000 0.000 0.247 63 V C 2.282 178.402 176.094 0.044 0.000 1.051 63 V CA 1.855 64.172 62.300 0.027 0.000 1.036 63 V CB -0.960 30.840 31.823 -0.039 0.000 0.654 63 V HN 0.402 nan 8.190 nan 0.000 0.451 64 A N 0.146 122.973 122.820 0.012 0.000 1.902 64 A HA -0.226 4.094 4.320 0.000 0.000 0.217 64 A C 2.093 179.668 177.584 -0.015 0.000 1.181 64 A CA 1.988 54.039 52.037 0.024 0.000 0.623 64 A CB -0.630 18.388 19.000 0.030 0.000 0.818 64 A HN 0.579 nan 8.150 nan 0.000 0.443 65 N N -0.357 118.299 118.700 -0.073 0.000 2.188 65 N HA -0.103 4.637 4.740 0.000 0.000 0.184 65 N C 1.585 176.918 175.510 -0.295 0.000 1.018 65 N CA 1.141 54.055 53.050 -0.228 0.000 0.858 65 N CB -0.435 37.925 38.487 -0.211 0.000 0.989 65 N HN 0.357 nan 8.380 nan 0.000 0.426 66 L N 1.601 122.785 121.223 -0.065 0.000 2.013 66 L HA -0.077 4.263 4.340 0.000 0.000 0.212 66 L C 2.021 178.943 176.870 0.086 0.000 1.073 66 L CA 1.351 56.229 54.840 0.063 0.000 0.753 66 L CB -0.628 41.525 42.059 0.156 0.000 0.890 66 L HN 0.109 nan 8.230 nan 0.000 0.432 67 I N -1.274 119.352 120.570 0.094 0.000 2.252 67 I HA -0.306 3.864 4.170 0.000 0.000 0.245 67 I C 2.332 178.461 176.117 0.020 0.000 1.102 67 I CA 1.283 62.637 61.300 0.091 0.000 1.385 67 I CB -0.196 37.878 38.000 0.123 0.000 1.064 67 I HN 0.211 nan 8.210 nan 0.000 0.414 68 I N -0.104 120.457 120.570 -0.016 0.000 2.315 68 I HA -0.290 3.881 4.170 0.000 0.000 0.248 68 I C 2.464 178.616 176.117 0.057 0.000 1.117 68 I CA 1.108 62.409 61.300 0.003 0.000 1.404 68 I CB -0.506 37.490 38.000 -0.006 0.000 1.071 68 I HN 0.272 nan 8.210 nan 0.000 0.419 69 H N 0.567 119.667 119.070 0.050 0.000 2.456 69 H HA 0.050 4.607 4.556 0.000 0.000 0.296 69 H C 2.093 177.433 175.328 0.020 0.000 1.079 69 H CA 1.023 57.094 56.048 0.038 0.000 1.322 69 H CB -0.258 29.525 29.762 0.036 0.000 1.388 69 H HN 0.312 nan 8.280 nan 0.000 0.538 70 A N 0.148 123.041 122.820 0.121 0.000 2.261 70 A HA 0.115 4.435 4.320 0.000 0.000 0.208 70 A C 1.042 178.618 177.584 -0.014 0.000 1.223 70 A CA 0.638 52.703 52.037 0.048 0.000 0.833 70 A CB -0.218 18.800 19.000 0.030 0.000 0.830 70 A HN 0.242 nan 8.150 nan 0.000 0.483 71 S N -1.582 114.101 115.700 -0.029 0.000 3.641 71 S HA -0.147 4.323 4.470 0.000 0.000 0.346 71 S C 0.021 174.377 174.600 -0.406 0.000 1.074 71 S CA 0.892 59.008 58.200 -0.140 0.000 1.026 71 S CB -1.972 61.219 63.200 -0.015 0.000 0.908 71 S HN 0.578 nan 8.310 nan 0.000 0.479 72 L N 2.443 123.405 121.223 -0.435 0.000 2.275 72 L HA 0.548 4.888 4.340 0.000 0.000 0.288 72 L C 0.342 176.877 176.870 -0.558 0.000 1.046 72 L CA -0.439 54.176 54.840 -0.375 0.000 0.805 72 L CB 0.717 42.695 42.059 -0.135 0.000 1.193 72 L HN 0.302 nan 8.230 nan 0.000 0.426 73 H N 2.404 121.488 119.070 0.022 0.000 2.840 73 H HA 0.246 4.802 4.556 0.000 0.000 0.340 73 H C 0.704 176.024 175.328 -0.013 0.000 1.004 73 H CA -0.340 55.711 56.048 0.005 0.000 1.288 73 H CB 2.119 31.901 29.762 0.032 0.000 1.607 73 H HN 0.825 nan 8.280 nan 0.000 0.522 74 G N 3.121 111.951 108.800 0.050 0.000 2.179 74 G HA2 -0.265 3.695 3.960 0.000 0.000 0.257 74 G HA3 -0.265 3.695 3.960 0.000 0.000 0.257 74 G C 0.176 175.084 174.900 0.013 0.000 1.010 74 G CA -0.161 44.948 45.100 0.014 0.000 0.736 74 G HN 0.432 nan 8.290 nan 0.000 0.513 75 R N -0.180 120.327 120.500 0.011 0.000 2.643 75 R HA 0.743 5.083 4.340 0.000 0.000 0.272 75 R C 0.433 176.753 176.300 0.032 0.000 0.995 75 R CA -0.127 55.981 56.100 0.014 0.000 1.032 75 R CB 1.092 31.393 30.300 0.001 0.000 1.126 75 R HN 0.641 nan 8.270 nan 0.000 0.505 76 A N 3.221 126.062 122.820 0.036 0.000 2.409 76 A HA 0.392 4.712 4.320 0.000 0.000 0.267 76 A C 0.068 177.701 177.584 0.081 0.000 1.127 76 A CA -0.227 51.846 52.037 0.059 0.000 0.795 76 A CB 0.075 19.105 19.000 0.050 0.000 1.061 76 A HN 0.488 nan 8.150 nan 0.000 0.502 77 I N 2.638 123.286 120.570 0.130 0.000 2.411 77 I HA 0.416 4.586 4.170 0.000 0.000 0.284 77 I C 0.564 176.810 176.117 0.216 0.000 1.012 77 I CA -0.134 61.269 61.300 0.173 0.000 1.119 77 I CB 0.941 39.093 38.000 0.252 0.000 1.261 77 I HN 0.699 nan 8.210 nan 0.000 0.448 78 A N 6.572 129.498 122.820 0.177 0.000 2.302 78 A HA 0.776 5.096 4.320 0.000 0.000 0.285 78 A C -0.382 177.332 177.584 0.217 0.000 1.105 78 A CA -0.394 51.749 52.037 0.177 0.000 0.816 78 A CB 1.188 20.297 19.000 0.182 0.000 1.067 78 A HN 0.468 nan 8.150 nan 0.000 0.489 79 V N 1.246 121.275 119.914 0.193 0.000 2.524 79 V HA 0.534 4.654 4.120 0.000 0.000 0.297 79 V C -0.082 176.051 176.094 0.066 0.000 1.035 79 V CA -0.278 62.134 62.300 0.186 0.000 0.867 79 V CB 1.709 33.738 31.823 0.343 0.000 1.004 79 V HN 0.872 nan 8.190 nan 0.000 0.426 80 S N 6.159 121.820 115.700 -0.065 0.000 2.259 80 S HA 0.715 5.185 4.470 0.000 0.000 0.181 80 S C -0.831 173.686 174.600 -0.138 0.000 1.589 80 S CA -0.288 57.853 58.200 -0.098 0.000 1.234 80 S CB -0.062 63.066 63.200 -0.120 0.000 1.119 80 S HN 0.568 nan 8.310 nan 0.000 0.458 81 L N 2.288 123.454 121.223 -0.096 0.000 2.283 81 L HA 0.627 4.968 4.340 0.000 0.000 0.259 81 L C -0.110 176.697 176.870 -0.105 0.000 1.027 81 L CA -1.267 53.510 54.840 -0.105 0.000 0.828 81 L CB 1.509 43.509 42.059 -0.098 0.000 1.380 81 L HN 0.512 nan 8.230 nan 0.000 0.425 82 D N 0.122 120.462 120.400 -0.099 0.000 2.380 82 D HA 0.044 4.684 4.640 0.000 0.000 0.254 82 D C -0.186 176.039 176.300 -0.125 0.000 1.288 82 D CA -0.353 53.590 54.000 -0.095 0.000 1.008 82 D CB 0.491 41.248 40.800 -0.072 0.000 1.099 82 D HN 0.246 nan 8.370 nan 0.000 0.537 83 R N 0.160 120.590 120.500 -0.116 0.000 2.891 83 R HA 0.274 4.614 4.340 0.000 0.000 0.248 83 R C -0.277 175.950 176.300 -0.122 0.000 1.439 83 R CA -0.254 55.758 56.100 -0.147 0.000 1.288 83 R CB -0.265 29.971 30.300 -0.107 0.000 1.212 83 R HN 0.566 nan 8.270 nan 0.000 0.605 84 S N 0.383 115.987 115.700 -0.161 0.000 2.677 84 S HA 0.374 4.845 4.470 0.000 0.000 0.304 84 S C 1.251 175.767 174.600 -0.140 0.000 1.108 84 S CA -0.981 57.140 58.200 -0.130 0.000 0.944 84 S CB 1.393 64.527 63.200 -0.109 0.000 1.127 84 S HN 0.374 nan 8.310 nan 0.000 0.511 85 L N 0.730 121.796 121.223 -0.261 0.000 2.046 85 L HA 0.014 4.355 4.340 0.000 0.000 0.208 85 L C 2.461 179.153 176.870 -0.296 0.000 1.077 85 L CA 1.243 55.796 54.840 -0.478 0.000 0.747 85 L CB -0.505 40.671 42.059 -1.471 0.000 0.896 85 L HN 0.746 nan 8.230 nan 0.000 0.432 86 I N -0.109 120.352 120.570 -0.182 0.000 2.454 86 I HA -0.278 3.892 4.170 0.000 0.000 0.254 86 I C 2.638 178.788 176.117 0.055 0.000 1.156 86 I CA 0.998 62.375 61.300 0.128 0.000 1.433 86 I CB -0.015 38.108 38.000 0.205 0.000 1.082 86 I HN 0.221 nan 8.210 nan 0.000 0.432 87 A N 0.939 123.719 122.820 -0.067 0.000 1.892 87 A HA -0.267 4.053 4.320 0.000 0.000 0.218 87 A C 1.966 179.476 177.584 -0.123 0.000 1.188 87 A CA 1.929 53.873 52.037 -0.154 0.000 0.631 87 A CB -1.209 17.625 19.000 -0.276 0.000 0.822 87 A HN 0.470 nan 8.150 nan 0.000 0.447 88 F N 0.080 120.024 119.950 -0.009 0.000 2.134 88 F HA -0.093 4.434 4.527 0.000 0.000 0.299 88 F C 2.802 178.616 175.800 0.024 0.000 1.097 88 F CA 1.103 59.139 58.000 0.059 0.000 1.264 88 F CB -0.608 38.490 39.000 0.164 0.000 1.001 88 F HN 0.255 nan 8.300 nan 0.000 0.479 89 A N 0.017 122.992 122.820 0.258 0.000 1.969 89 A HA -0.102 4.218 4.320 0.000 0.000 0.218 89 A C 2.223 179.804 177.584 -0.005 0.000 1.169 89 A CA 1.352 53.474 52.037 0.142 0.000 0.635 89 A CB -1.010 18.145 19.000 0.258 0.000 0.810 89 A HN 0.400 nan 8.150 nan 0.000 0.445 90 I N -0.361 120.160 120.570 -0.081 0.000 2.202 90 I HA -0.233 3.937 4.170 0.000 0.000 0.242 90 I C 2.257 178.244 176.117 -0.216 0.000 1.091 90 I CA 1.150 62.282 61.300 -0.282 0.000 1.368 90 I CB -0.262 37.451 38.000 -0.479 0.000 1.058 90 I HN 0.301 nan 8.210 nan 0.000 0.410 91 I N -0.061 120.387 120.570 -0.203 0.000 2.151 91 I HA -0.311 3.859 4.170 0.000 0.000 0.243 91 I C 2.496 178.560 176.117 -0.088 0.000 1.080 91 I CA 1.412 62.529 61.300 -0.306 0.000 1.339 91 I CB -0.449 37.282 38.000 -0.448 0.000 1.039 91 I HN 0.033 nan 8.210 nan 0.000 0.409 92 V N 0.949 120.859 119.914 -0.008 0.000 2.358 92 V HA -0.187 3.933 4.120 0.000 0.000 0.246 92 V C 2.598 178.715 176.094 0.039 0.000 1.047 92 V CA 2.106 64.438 62.300 0.054 0.000 1.035 92 V CB -1.357 30.415 31.823 -0.085 0.000 0.658 92 V HN 0.585 nan 8.190 nan 0.000 0.452 93 G N -0.125 108.667 108.800 -0.012 0.000 2.440 93 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 93 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 93 G C 0.895 175.813 174.900 0.030 0.000 1.154 93 G CA 0.495 45.593 45.100 -0.005 0.000 0.767 93 G HN 0.438 nan 8.290 nan 0.000 0.552 97 S N 0.334 116.094 115.700 0.099 0.000 2.593 97 S HA 0.176 4.646 4.470 0.000 0.000 0.217 97 S C 1.206 175.745 174.600 -0.103 0.000 0.966 97 S CA 0.673 58.932 58.200 0.099 0.000 0.914 97 S CB 0.496 63.737 63.200 0.069 0.000 0.776 97 S HN 0.463 nan 8.310 nan 0.000 0.523 98 G N 1.362 109.868 108.800 -0.489 0.000 2.225 98 G HA2 -0.211 3.749 3.960 0.000 0.000 0.264 98 G HA3 -0.211 3.749 3.960 0.000 0.000 0.264 98 G C -0.216 174.452 174.900 -0.386 0.000 1.060 98 G CA 0.061 44.504 45.100 -1.097 0.000 0.833 98 G HN 0.555 nan 8.290 nan 0.000 0.498 99 N N -1.060 117.543 118.700 -0.163 0.000 2.966 99 N HA 0.640 5.380 4.740 0.000 0.000 0.314 99 N C -0.632 174.891 175.510 0.023 0.000 1.397 99 N CA -0.363 52.663 53.050 -0.039 0.000 0.776 99 N CB 1.477 39.975 38.487 0.018 0.000 1.576 99 N HN 0.054 nan 8.380 nan 0.000 0.592 100 T N 0.908 115.505 114.554 0.071 0.000 2.779 100 T HA 0.188 4.538 4.350 0.000 0.000 0.280 100 T C -0.650 174.179 174.700 0.213 0.000 0.987 100 T CA -0.317 61.850 62.100 0.113 0.000 0.966 100 T CB 0.305 69.206 68.868 0.056 0.000 0.933 100 T HN 0.290 nan 8.240 nan 0.000 0.442 101 Y N 4.116 124.499 120.300 0.138 0.000 2.359 101 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 101 Y C -0.750 175.260 175.900 0.184 0.000 1.058 101 Y CA -1.117 57.081 58.100 0.165 0.000 1.244 101 Y CB 0.484 39.053 38.460 0.182 0.000 1.187 101 Y HN 0.340 nan 8.280 nan 0.000 0.510 102 V N 9.546 129.394 119.914 -0.110 0.000 2.320 102 V HA 0.293 4.413 4.120 0.000 0.000 0.268 102 V C -2.356 173.577 176.094 -0.267 0.000 1.021 102 V CA -1.848 60.358 62.300 -0.156 0.000 0.813 102 V CB 0.795 32.651 31.823 0.054 0.000 1.054 102 V HN 0.709 nan 8.190 nan 0.000 0.444 103 P HA 0.317 nan 4.420 nan 0.000 0.268 103 P C -0.544 176.699 177.300 -0.096 0.000 1.204 103 P CA 0.246 63.154 63.100 -0.320 0.000 0.768 103 P CB 1.159 32.696 31.700 -0.271 0.000 0.842 104 I N 1.796 122.347 120.570 -0.031 0.000 2.476 104 I HA 0.174 4.344 4.170 0.000 0.000 0.281 104 I C 0.741 176.843 176.117 -0.024 0.000 1.040 104 I CA -0.841 60.456 61.300 -0.005 0.000 1.094 104 I CB 1.667 39.720 38.000 0.088 0.000 1.219 104 I HN 0.348 nan 8.210 nan 0.000 0.450 105 E N 5.467 125.620 120.200 -0.080 0.000 2.415 105 E HA 0.091 4.441 4.350 0.000 0.000 0.263 105 E C 0.849 177.416 176.600 -0.055 0.000 0.995 105 E CA 0.165 56.500 56.400 -0.108 0.000 0.915 105 E CB 1.433 31.037 29.700 -0.161 0.000 0.951 105 E HN 0.785 nan 8.360 nan 0.000 0.449 106 A N 4.123 126.910 122.820 -0.056 0.000 2.015 106 A HA -0.071 4.249 4.320 0.000 0.000 0.219 106 A C 1.910 179.483 177.584 -0.018 0.000 1.163 106 A CA 1.364 53.388 52.037 -0.022 0.000 0.646 106 A CB -0.423 18.551 19.000 -0.044 0.000 0.806 106 A HN 0.777 nan 8.150 nan 0.000 0.448 107 G N -0.874 107.900 108.800 -0.043 0.000 2.848 107 G HA2 0.251 4.211 3.960 0.000 0.000 0.208 107 G HA3 0.251 4.211 3.960 0.000 0.000 0.208 107 G C 0.588 175.467 174.900 -0.036 0.000 1.152 107 G CA -0.324 44.754 45.100 -0.038 0.000 0.789 107 G HN 0.413 nan 8.290 nan 0.000 0.531 108 L N 1.144 122.344 121.223 -0.038 0.000 2.506 108 L HA 0.135 4.475 4.340 0.000 0.000 0.281 108 L C -1.722 175.130 176.870 -0.032 0.000 1.228 108 L CA -1.462 53.353 54.840 -0.041 0.000 0.850 108 L CB 0.609 42.641 42.059 -0.045 0.000 1.110 108 L HN -0.013 nan 8.230 nan 0.000 0.496 109 P HA 0.013 nan 4.420 nan 0.000 0.266 109 P C -0.092 177.181 177.300 -0.044 0.000 1.193 109 P CA -0.061 63.017 63.100 -0.037 0.000 0.770 109 P CB 0.423 32.098 31.700 -0.041 0.000 0.836 110 N N 1.570 120.243 118.700 -0.045 0.000 2.137 110 N HA -0.173 4.567 4.740 0.000 0.000 0.190 110 N C 1.067 176.530 175.510 -0.078 0.000 1.017 110 N CA 1.481 54.492 53.050 -0.065 0.000 0.859 110 N CB -0.634 37.818 38.487 -0.058 0.000 1.002 110 N HN 0.470 nan 8.380 nan 0.000 0.428 111 D N 0.204 120.568 120.400 -0.060 0.000 2.144 111 D HA -0.040 4.600 4.640 0.000 0.000 0.200 111 D C 1.890 178.166 176.300 -0.040 0.000 0.978 111 D CA 0.727 54.695 54.000 -0.053 0.000 0.833 111 D CB 0.047 40.815 40.800 -0.052 0.000 0.961 111 D HN 0.307 nan 8.370 nan 0.000 0.470 112 R N 0.448 120.920 120.500 -0.048 0.000 2.119 112 R HA 0.052 4.392 4.340 0.000 0.000 0.222 112 R C 2.098 178.374 176.300 -0.039 0.000 1.088 112 R CA 0.481 56.562 56.100 -0.032 0.000 0.984 112 R CB -0.015 30.253 30.300 -0.053 0.000 0.884 112 R HN 0.193 nan 8.270 nan 0.000 0.447 113 K N 0.636 120.988 120.400 -0.079 0.000 2.057 113 K HA -0.060 4.260 4.320 0.000 0.000 0.207 113 K C 2.274 178.761 176.600 -0.189 0.000 1.049 113 K CA 1.557 57.764 56.287 -0.133 0.000 0.931 113 K CB -0.071 32.330 32.500 -0.166 0.000 0.714 113 K HN -0.003 nan 8.250 nan 0.000 0.440 114 S N 0.923 116.524 115.700 -0.165 0.000 2.359 114 S HA -0.160 4.311 4.470 0.000 0.000 0.224 114 S C 1.638 176.184 174.600 -0.089 0.000 1.035 114 S CA 1.193 59.300 58.200 -0.156 0.000 1.018 114 S CB -0.379 62.758 63.200 -0.104 0.000 0.876 114 S HN 0.266 nan 8.310 nan 0.000 0.448 115 F N 2.393 122.243 119.950 -0.167 0.000 2.120 115 F HA -0.141 4.386 4.527 0.000 0.000 0.300 115 F C 1.805 177.475 175.800 -0.217 0.000 1.095 115 F CA 1.293 59.196 58.000 -0.163 0.000 1.249 115 F CB -0.485 38.419 39.000 -0.161 0.000 0.995 115 F HN 0.120 nan 8.300 nan 0.000 0.480 116 L N -0.652 120.385 121.223 -0.309 0.000 2.056 116 L HA -0.228 4.112 4.340 0.000 0.000 0.207 116 L C 2.524 179.188 176.870 -0.342 0.000 1.078 116 L CA 1.024 55.556 54.840 -0.513 0.000 0.749 116 L CB -0.852 40.950 42.059 -0.428 0.000 0.901 116 L HN 0.192 nan 8.230 nan 0.000 0.433 117 L N -0.372 120.711 121.223 -0.233 0.000 2.042 117 L HA -0.252 4.088 4.340 0.000 0.000 0.210 117 L C 2.861 179.628 176.870 -0.171 0.000 1.076 117 L CA 1.464 56.209 54.840 -0.159 0.000 0.749 117 L CB -0.494 41.461 42.059 -0.173 0.000 0.893 117 L HN 0.267 nan 8.230 nan 0.000 0.432 118 R N 0.186 120.545 120.500 -0.236 0.000 2.062 118 R HA -0.181 4.159 4.340 0.000 0.000 0.229 118 R C 2.023 178.164 176.300 -0.264 0.000 1.128 118 R CA 1.877 57.848 56.100 -0.215 0.000 0.960 118 R CB -0.163 30.022 30.300 -0.191 0.000 0.855 118 R HN 0.259 nan 8.270 nan 0.000 0.432 119 D N -0.413 119.695 120.400 -0.486 0.000 2.144 119 D HA -0.140 4.501 4.640 0.000 0.000 0.199 119 D C 1.751 177.975 176.300 -0.128 0.000 0.984 119 D CA 1.775 55.531 54.000 -0.407 0.000 0.834 119 D CB 0.072 40.457 40.800 -0.693 0.000 0.955 119 D HN 0.323 nan 8.370 nan 0.000 0.465 120 S N -1.087 114.568 115.700 -0.075 0.000 2.489 120 S HA 0.005 4.475 4.470 0.000 0.000 0.228 120 S C 0.965 175.563 174.600 -0.003 0.000 0.995 120 S CA 0.191 58.415 58.200 0.040 0.000 0.934 120 S CB -0.018 63.243 63.200 0.102 0.000 0.771 120 S HN 0.223 nan 8.310 nan 0.000 0.522 121 R N 0.735 121.211 120.500 -0.040 0.000 3.423 121 R HA -0.092 4.248 4.340 0.000 0.000 0.271 121 R C 0.152 176.445 176.300 -0.011 0.000 1.093 121 R CA 0.714 56.795 56.100 -0.030 0.000 0.730 121 R CB -2.681 27.608 30.300 -0.020 0.000 1.190 121 R HN 0.700 nan 8.270 nan 0.000 0.437 122 A N 0.247 123.063 122.820 -0.007 0.000 2.561 122 A HA 0.446 4.766 4.320 0.000 0.000 0.251 122 A C 1.104 178.693 177.584 0.008 0.000 1.062 122 A CA 0.730 52.778 52.037 0.017 0.000 0.761 122 A CB 0.046 19.066 19.000 0.033 0.000 0.986 122 A HN 0.622 nan 8.150 nan 0.000 0.510 126 F N 1.737 121.592 119.950 -0.157 0.000 2.415 126 F HA 0.614 5.141 4.527 0.000 0.000 0.348 126 F C 0.690 176.279 175.800 -0.352 0.000 1.119 126 F CA -0.071 57.782 58.000 -0.246 0.000 1.069 126 F CB 2.134 41.036 39.000 -0.162 0.000 1.124 126 F HN 0.749 nan 8.300 nan 0.000 0.472 127 V N 0.605 120.347 119.914 -0.287 0.000 3.181 127 V HA 0.913 5.033 4.120 0.000 0.000 0.308 127 V C -0.737 175.206 176.094 -0.251 0.000 1.214 127 V CA -1.244 60.819 62.300 -0.394 0.000 1.053 127 V CB 1.584 32.978 31.823 -0.715 0.000 1.069 127 V HN 1.060 nan 8.190 nan 0.000 0.441 128 C N -1.010 118.170 119.300 -0.200 0.000 3.320 128 C HA 0.795 5.255 4.460 0.000 0.000 0.335 128 C C -0.410 174.526 174.990 -0.089 0.000 1.430 128 C CA 0.206 59.149 59.018 -0.125 0.000 1.271 128 C CB 0.983 28.667 27.740 -0.093 0.000 1.609 128 C HN 1.243 nan 8.230 nan 0.000 0.457 129 D N 0.972 121.339 120.400 -0.054 0.000 2.772 129 D HA -0.188 4.452 4.640 0.000 0.000 0.233 129 D C 0.353 176.641 176.300 -0.020 0.000 1.143 129 D CA 1.682 55.663 54.000 -0.033 0.000 0.700 129 D CB -1.869 38.909 40.800 -0.036 0.000 1.076 129 D HN 1.007 nan 8.370 nan 0.000 0.430 130 N N -1.281 117.410 118.700 -0.014 0.000 2.696 130 N HA -0.285 4.455 4.740 0.000 0.000 0.249 130 N C 0.570 176.104 175.510 0.040 0.000 1.090 130 N CA 0.744 53.803 53.050 0.016 0.000 0.716 130 N CB -0.741 37.755 38.487 0.015 0.000 1.020 130 N HN 0.346 nan 8.380 nan 0.000 0.548 131 N N -0.495 118.219 118.700 0.023 0.000 2.364 131 N HA -0.082 4.658 4.740 0.000 0.000 0.183 131 N C 0.525 176.210 175.510 0.292 0.000 1.022 131 N CA 1.023 54.120 53.050 0.077 0.000 0.883 131 N CB -0.097 38.382 38.487 -0.013 0.000 0.965 131 N HN 0.372 nan 8.380 nan 0.000 0.438 132 F N 0.703 120.631 119.950 -0.037 0.000 2.678 132 F HA 0.222 4.749 4.527 0.000 0.000 0.305 132 F C 0.031 175.812 175.800 -0.033 0.000 1.090 132 F CA -1.390 56.587 58.000 -0.038 0.000 1.272 132 F CB -0.297 38.678 39.000 -0.043 0.000 1.060 132 F HN -0.256 nan 8.300 nan 0.000 0.576 133 D N 0.349 120.832 120.400 0.138 0.000 2.451 133 D HA 0.358 4.998 4.640 0.000 0.000 0.254 133 D C 1.344 177.658 176.300 0.023 0.000 1.204 133 D CA 1.496 55.532 54.000 0.060 0.000 0.896 133 D CB 0.203 41.026 40.800 0.039 0.000 1.136 133 D HN 0.438 nan 8.370 nan 0.000 0.499 134 G N 1.520 110.320 108.800 -0.001 0.000 2.141 134 G HA2 -0.227 3.733 3.960 0.000 0.000 0.231 134 G HA3 -0.227 3.733 3.960 0.000 0.000 0.231 134 G C 0.214 175.079 174.900 -0.059 0.000 0.984 134 G CA -0.009 45.076 45.100 -0.025 0.000 0.660 134 G HN 0.506 nan 8.290 nan 0.000 0.525 135 V N 0.566 120.423 119.914 -0.095 0.000 2.439 135 V HA 0.495 4.615 4.120 0.000 0.000 0.282 135 V C 0.507 176.495 176.094 -0.175 0.000 1.039 135 V CA -0.678 61.505 62.300 -0.195 0.000 0.913 135 V CB 1.652 33.224 31.823 -0.419 0.000 0.983 135 V HN 0.348 nan 8.190 nan 0.000 0.460 136 E N 4.263 124.370 120.200 -0.155 0.000 2.217 136 E HA 0.336 4.686 4.350 0.000 0.000 0.279 136 E C -0.696 175.808 176.600 -0.161 0.000 1.068 136 E CA 0.059 56.386 56.400 -0.122 0.000 0.882 136 E CB 0.544 30.192 29.700 -0.085 0.000 1.039 136 E HN 0.483 nan 8.360 nan 0.000 0.418 137 L N 5.849 126.993 121.223 -0.131 0.000 2.326 137 L HA 0.377 4.717 4.340 0.000 0.000 0.278 137 L C -1.919 174.902 176.870 -0.082 0.000 1.092 137 L CA -2.255 52.511 54.840 -0.123 0.000 0.810 137 L CB 0.337 42.361 42.059 -0.059 0.000 1.153 137 L HN 0.322 nan 8.230 nan 0.000 0.439 138 P HA 0.113 nan 4.420 nan 0.000 0.269 138 P C -2.095 175.182 177.300 -0.037 0.000 1.209 138 P CA -1.100 61.966 63.100 -0.056 0.000 0.776 138 P CB 0.127 31.791 31.700 -0.059 0.000 0.876 139 P HA -0.170 nan 4.420 nan 0.000 0.220 139 P C 1.199 178.489 177.300 -0.017 0.000 1.148 139 P CA 1.227 64.314 63.100 -0.020 0.000 0.803 139 P CB -0.178 31.512 31.700 -0.017 0.000 0.782 140 E N -0.411 119.777 120.200 -0.019 0.000 2.409 140 E HA -0.063 4.287 4.350 0.000 0.000 0.198 140 E C -0.171 176.420 176.600 -0.015 0.000 1.024 140 E CA 0.822 57.213 56.400 -0.016 0.000 0.861 140 E CB -1.311 28.380 29.700 -0.016 0.000 0.788 140 E HN 0.123 nan 8.360 nan 0.000 0.521 141 T N 2.493 117.038 114.554 -0.014 0.000 2.727 141 T HA 0.203 4.553 4.350 0.000 0.000 0.295 141 T C -0.123 174.570 174.700 -0.011 0.000 0.915 141 T CA -0.451 61.646 62.100 -0.006 0.000 1.066 141 T CB 0.944 69.819 68.868 0.012 0.000 0.891 141 T HN -0.005 nan 8.240 nan 0.000 0.516 142 K N 4.058 124.438 120.400 -0.033 0.000 2.285 142 K HA 0.340 4.660 4.320 0.000 0.000 0.286 142 K C -0.945 175.595 176.600 -0.099 0.000 1.072 142 K CA -0.463 55.793 56.287 -0.052 0.000 0.913 142 K CB 0.239 32.706 32.500 -0.056 0.000 1.067 142 K HN 0.314 nan 8.250 nan 0.000 0.479 143 V N 6.813 126.681 119.914 -0.077 0.000 2.370 143 V HA 0.372 4.493 4.120 0.000 0.000 0.279 143 V C -0.181 175.806 176.094 -0.179 0.000 1.029 143 V CA -0.750 61.482 62.300 -0.114 0.000 0.870 143 V CB 0.861 32.681 31.823 -0.004 0.000 0.984 143 V HN 0.663 nan 8.190 nan 0.000 0.451 144 L N 4.134 125.161 121.223 -0.326 0.000 2.313 144 L HA 0.532 4.872 4.340 0.000 0.000 0.283 144 L C -0.469 176.163 176.870 -0.397 0.000 1.013 144 L CA -0.557 54.074 54.840 -0.348 0.000 0.816 144 L CB 1.900 43.660 42.059 -0.498 0.000 1.236 144 L HN 0.552 nan 8.230 nan 0.000 0.419 145 D N 1.448 121.667 120.400 -0.303 0.000 2.359 145 D HA 0.080 4.720 4.640 0.000 0.000 0.230 145 D C 1.249 177.338 176.300 -0.351 0.000 1.118 145 D CA -0.361 53.486 54.000 -0.255 0.000 0.844 145 D CB 1.537 42.272 40.800 -0.109 0.000 1.059 145 D HN 0.627 nan 8.370 nan 0.000 0.493 146 T N 1.068 115.388 114.554 -0.391 0.000 3.077 146 T HA -0.081 4.269 4.350 0.000 0.000 0.269 146 T C 1.145 175.870 174.700 0.042 0.000 1.146 146 T CA 0.852 62.751 62.100 -0.335 0.000 1.091 146 T CB -0.022 68.756 68.868 -0.151 0.000 0.892 146 T HN 0.352 nan 8.240 nan 0.000 0.533 147 K N 0.947 121.358 120.400 0.018 0.000 2.358 147 K HA 0.183 4.503 4.320 0.000 0.000 0.200 147 K C 0.481 177.138 176.600 0.094 0.000 1.030 147 K CA -0.340 55.990 56.287 0.072 0.000 1.097 147 K CB 0.295 32.811 32.500 0.028 0.000 0.862 147 K HN 0.315 nan 8.250 nan 0.000 0.534 148 N N 2.138 120.907 118.700 0.115 0.000 2.458 148 N HA -0.026 4.714 4.740 0.000 0.000 0.270 148 N C 0.616 176.224 175.510 0.162 0.000 1.102 148 N CA 0.302 53.424 53.050 0.119 0.000 0.967 148 N CB 1.386 39.935 38.487 0.104 0.000 1.078 148 N HN 0.129 nan 8.380 nan 0.000 0.471 149 Q N 2.260 122.124 119.800 0.106 0.000 2.152 149 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 149 Q C 1.595 177.647 176.000 0.088 0.000 0.985 149 Q CA 1.859 57.715 55.803 0.089 0.000 0.863 149 Q CB 0.042 28.815 28.738 0.058 0.000 0.904 149 Q HN 0.779 nan 8.270 nan 0.000 0.422 150 S N -0.458 115.300 115.700 0.097 0.000 2.368 150 S HA -0.161 4.309 4.470 0.000 0.000 0.224 150 S C 1.670 176.336 174.600 0.109 0.000 1.029 150 S CA 0.987 59.238 58.200 0.085 0.000 0.988 150 S CB -0.493 62.755 63.200 0.080 0.000 0.838 150 S HN 0.553 nan 8.310 nan 0.000 0.462 151 F N 2.044 122.018 119.950 0.040 0.000 2.134 151 F HA 0.078 4.605 4.527 0.000 0.000 0.299 151 F C 1.784 177.624 175.800 0.067 0.000 1.097 151 F CA 1.485 59.519 58.000 0.058 0.000 1.264 151 F CB -0.352 38.689 39.000 0.068 0.000 1.001 151 F HN 0.229 nan 8.300 nan 0.000 0.479 152 I N 0.259 120.828 120.570 -0.002 0.000 2.226 152 I HA -0.251 3.919 4.170 0.000 0.000 0.245 152 I C 2.268 178.294 176.117 -0.152 0.000 1.100 152 I CA 1.648 62.888 61.300 -0.100 0.000 1.374 152 I CB -0.574 37.477 38.000 0.086 0.000 1.057 152 I HN 0.189 nan 8.210 nan 0.000 0.413 153 E N 0.726 120.880 120.200 -0.076 0.000 2.072 153 E HA -0.214 4.137 4.350 0.000 0.000 0.191 153 E C 2.011 178.555 176.600 -0.094 0.000 0.985 153 E CA 1.047 57.411 56.400 -0.060 0.000 0.801 153 E CB -0.117 29.572 29.700 -0.020 0.000 0.750 153 E HN 0.392 nan 8.360 nan 0.000 0.452 154 N N 0.477 119.107 118.700 -0.118 0.000 2.084 154 N HA -0.189 4.551 4.740 0.000 0.000 0.190 154 N C 2.063 177.474 175.510 -0.166 0.000 1.030 154 N CA 0.763 53.747 53.050 -0.111 0.000 0.849 154 N CB -0.012 38.429 38.487 -0.077 0.000 1.012 154 N HN 0.083 nan 8.380 nan 0.000 0.423 155 L N 1.673 122.690 121.223 -0.344 0.000 2.043 155 L HA -0.171 4.169 4.340 0.000 0.000 0.212 155 L C 2.474 179.242 176.870 -0.170 0.000 1.075 155 L CA 2.157 56.803 54.840 -0.323 0.000 0.752 155 L CB -0.926 40.799 42.059 -0.556 0.000 0.891 155 L HN 0.287 nan 8.230 nan 0.000 0.432 156 S N -3.613 111.999 115.700 -0.147 0.000 2.555 156 S HA -0.111 4.360 4.470 0.000 0.000 0.230 156 S C 1.708 176.266 174.600 -0.070 0.000 0.978 156 S CA 1.211 59.353 58.200 -0.096 0.000 0.934 156 S CB -0.620 62.536 63.200 -0.074 0.000 0.766 156 S HN 0.508 nan 8.310 nan 0.000 0.533 157 T N 1.465 115.981 114.554 -0.063 0.000 3.037 157 T HA 0.195 4.545 4.350 0.000 0.000 0.251 157 T C 0.536 175.228 174.700 -0.014 0.000 1.079 157 T CA -0.016 62.063 62.100 -0.035 0.000 1.067 157 T CB -0.008 68.843 68.868 -0.030 0.000 0.948 157 T HN 0.412 nan 8.240 nan 0.000 0.496 158 Q N 1.883 121.672 119.800 -0.018 0.000 2.454 158 Q HA 0.187 4.528 4.340 0.000 0.000 0.247 158 Q C -0.189 175.804 176.000 -0.011 0.000 1.028 158 Q CA 0.039 55.847 55.803 0.007 0.000 0.910 158 Q CB 0.305 29.034 28.738 -0.015 0.000 1.276 158 Q HN 0.339 nan 8.270 nan 0.000 0.489 159 D N -0.201 120.200 120.400 0.002 0.000 2.399 159 D HA 0.006 4.646 4.640 0.000 0.000 0.241 159 D C 0.571 176.848 176.300 -0.039 0.000 1.133 159 D CA 0.417 54.408 54.000 -0.014 0.000 0.890 159 D CB 0.742 41.542 40.800 0.001 0.000 1.201 159 D HN 0.554 nan 8.370 nan 0.000 0.432 160 T N -1.347 113.179 114.554 -0.047 0.000 3.054 160 T HA 0.196 4.546 4.350 0.000 0.000 0.255 160 T C 0.481 175.146 174.700 -0.059 0.000 1.035 160 T CA -0.533 61.529 62.100 -0.063 0.000 0.941 160 T CB 0.110 68.932 68.868 -0.077 0.000 1.026 160 T HN 0.153 nan 8.240 nan 0.000 0.533 161 S N 2.582 118.253 115.700 -0.047 0.000 2.585 161 S HA 0.263 4.734 4.470 0.000 0.000 0.273 161 S C -0.089 174.485 174.600 -0.044 0.000 1.339 161 S CA -0.640 57.532 58.200 -0.046 0.000 1.028 161 S CB 0.290 63.467 63.200 -0.038 0.000 0.906 161 S HN 0.373 nan 8.310 nan 0.000 0.528 162 D N 1.550 121.921 120.400 -0.048 0.000 2.488 162 D HA 0.071 4.711 4.640 0.000 0.000 0.238 162 D C 0.238 176.520 176.300 -0.029 0.000 1.138 162 D CA 0.169 54.145 54.000 -0.042 0.000 0.873 162 D CB 0.226 40.995 40.800 -0.051 0.000 1.183 162 D HN 0.189 nan 8.370 nan 0.000 0.458 163 I N 2.452 123.015 120.570 -0.011 0.000 2.529 163 I HA 0.006 4.176 4.170 0.000 0.000 0.284 163 I C 0.780 176.881 176.117 -0.026 0.000 1.082 163 I CA -0.372 60.929 61.300 0.001 0.000 1.406 163 I CB -0.012 38.020 38.000 0.054 0.000 1.405 163 I HN 0.161 nan 8.210 nan 0.000 0.548 164 L N 6.535 127.728 121.223 -0.050 0.000 2.597 164 L HA 0.042 4.382 4.340 0.000 0.000 0.271 164 L C 0.933 177.678 176.870 -0.209 0.000 1.157 164 L CA 0.164 54.944 54.840 -0.101 0.000 0.928 164 L CB -0.475 41.529 42.059 -0.091 0.000 1.216 164 L HN 0.551 nan 8.230 nan 0.000 0.481 165 N N 3.491 122.054 118.700 -0.228 0.000 3.228 165 N HA 0.044 4.784 4.740 0.000 0.000 0.289 165 N C -0.338 174.890 175.510 -0.471 0.000 1.419 165 N CA -0.106 52.739 53.050 -0.342 0.000 1.088 165 N CB 0.185 38.635 38.487 -0.062 0.000 1.357 165 N HN 0.457 nan 8.380 nan 0.000 0.504 166 N N 1.566 119.838 118.700 -0.713 0.000 2.806 166 N HA 0.154 4.894 4.740 0.000 0.000 0.315 166 N C -1.419 173.880 175.510 -0.350 0.000 1.738 166 N CA -0.243 52.565 53.050 -0.404 0.000 0.993 166 N CB -0.090 38.246 38.487 -0.251 0.000 1.324 166 N HN 0.230 nan 8.380 nan 0.000 0.493 167 Y N -0.026 120.278 120.300 0.007 0.000 2.376 167 Y HA 0.494 5.044 4.550 0.000 0.000 0.325 167 Y C -1.460 174.444 175.900 0.006 0.000 1.199 167 Y CA -2.403 55.702 58.100 0.009 0.000 1.206 167 Y CB -0.116 38.358 38.460 0.025 0.000 1.229 167 Y HN 0.208 nan 8.280 nan 0.000 0.480 168 P HA 0.012 nan 4.420 nan 0.000 0.268 168 P C 0.499 177.849 177.300 0.083 0.000 1.208 168 P CA -0.032 63.117 63.100 0.082 0.000 0.777 168 P CB 0.870 32.601 31.700 0.052 0.000 0.875 169 E N 1.691 121.918 120.200 0.045 0.000 2.153 169 E HA -0.159 4.192 4.350 0.000 0.000 0.194 169 E C 1.073 177.704 176.600 0.052 0.000 0.988 169 E CA 1.210 57.645 56.400 0.058 0.000 0.811 169 E CB -0.287 29.396 29.700 -0.029 0.000 0.746 169 E HN 0.555 nan 8.360 nan 0.000 0.466 170 N N 0.858 119.561 118.700 0.006 0.000 2.270 170 N HA -0.036 4.704 4.740 0.000 0.000 0.198 170 N C 0.569 176.069 175.510 -0.017 0.000 1.117 170 N CA -0.183 52.860 53.050 -0.012 0.000 0.845 170 N CB -0.289 38.174 38.487 -0.040 0.000 0.980 170 N HN 0.000 nan 8.380 nan 0.000 0.486 171 L N 2.035 123.261 121.223 0.004 0.000 2.525 171 L HA 0.086 4.426 4.340 0.000 0.000 0.278 171 L C -0.343 176.503 176.870 -0.040 0.000 1.218 171 L CA 0.208 55.041 54.840 -0.012 0.000 0.878 171 L CB 0.096 42.159 42.059 0.006 0.000 1.127 171 L HN 0.052 nan 8.230 nan 0.000 0.492 172 D N 3.644 124.007 120.400 -0.063 0.000 2.455 172 D HA 0.178 4.819 4.640 0.000 0.000 0.241 172 D C 0.449 176.712 176.300 -0.062 0.000 1.138 172 D CA 0.775 54.720 54.000 -0.092 0.000 0.877 172 D CB 1.508 42.252 40.800 -0.094 0.000 1.187 172 D HN 0.721 nan 8.370 nan 0.000 0.451 173 A N 2.616 125.391 122.820 -0.076 0.000 1.993 173 A HA 0.138 4.458 4.320 0.000 0.000 0.207 173 A C 0.099 177.785 177.584 0.169 0.000 1.224 173 A CA 0.646 52.701 52.037 0.030 0.000 0.749 173 A CB -0.004 19.021 19.000 0.042 0.000 0.884 173 A HN 0.636 nan 8.150 nan 0.000 0.467 174 Y N -3.545 116.772 120.300 0.028 0.000 2.625 174 Y HA 0.729 5.279 4.550 0.000 0.000 0.338 174 Y C -1.419 174.453 175.900 -0.046 0.000 1.123 174 Y CA -2.177 55.948 58.100 0.042 0.000 1.046 174 Y CB 1.067 39.598 38.460 0.118 0.000 1.299 174 Y HN 0.063 nan 8.280 nan 0.000 0.464 175 L N 3.199 124.488 121.223 0.111 0.000 2.404 175 L HA 0.686 5.026 4.340 0.000 0.000 0.272 175 L C -2.125 174.753 176.870 0.014 0.000 0.980 175 L CA -0.750 54.064 54.840 -0.043 0.000 0.836 175 L CB 1.627 43.646 42.059 -0.067 0.000 1.238 175 L HN 0.848 nan 8.230 nan 0.000 0.408 176 L N 5.045 126.266 121.223 -0.003 0.000 2.349 176 L HA 0.550 4.890 4.340 0.000 0.000 0.278 176 L C -1.353 175.508 176.870 -0.016 0.000 0.996 176 L CA -0.301 54.592 54.840 0.089 0.000 0.825 176 L CB 1.388 43.593 42.059 0.243 0.000 1.243 176 L HN 0.554 nan 8.230 nan 0.000 0.412 177 Y N 3.128 123.473 120.300 0.076 0.000 2.316 177 Y HA 0.469 5.019 4.550 0.000 0.000 0.331 177 Y C 0.647 176.607 175.900 0.100 0.000 1.083 177 Y CA 0.332 58.485 58.100 0.087 0.000 1.206 177 Y CB 1.790 40.288 38.460 0.064 0.000 1.195 177 Y HN 0.488 nan 8.280 nan 0.000 0.497 178 T N 2.190 116.888 114.554 0.240 0.000 2.916 178 T HA 0.484 4.834 4.350 0.000 0.000 0.292 178 T C -0.337 174.463 174.700 0.167 0.000 1.055 178 T CA -0.819 61.402 62.100 0.202 0.000 1.009 178 T CB 0.589 69.575 68.868 0.196 0.000 1.118 178 T HN 0.706 nan 8.240 nan 0.000 0.497 184 T N 4.456 118.959 114.554 -0.084 0.000 2.743 184 T HA 0.530 4.880 4.350 0.000 0.000 0.293 184 T C -2.184 172.521 174.700 0.009 0.000 0.945 184 T CA -0.777 61.254 62.100 -0.116 0.000 1.030 184 T CB 1.965 70.780 68.868 -0.089 0.000 0.912 184 T HN 0.083 nan 8.240 nan 0.000 0.483 185 P HA 0.227 nan 4.420 nan 0.000 0.271 185 P C -0.642 176.864 177.300 0.344 0.000 1.218 185 P CA -0.579 62.649 63.100 0.213 0.000 0.780 185 P CB 0.562 32.421 31.700 0.266 0.000 0.901 186 K N 0.652 121.194 120.400 0.237 0.000 2.221 186 K HA 0.670 4.990 4.320 0.000 0.000 0.258 186 K C 0.059 176.668 176.600 0.014 0.000 0.944 186 K CA -0.954 55.410 56.287 0.127 0.000 0.823 186 K CB 1.526 33.928 32.500 -0.163 0.000 1.113 186 K HN 0.432 nan 8.250 nan 0.000 0.431 187 G N 1.978 110.617 108.800 -0.268 0.000 2.355 187 G HA2 0.363 4.323 3.960 0.000 0.000 0.276 187 G HA3 0.363 4.323 3.960 0.000 0.000 0.276 187 G C -0.521 174.269 174.900 -0.183 0.000 1.198 187 G CA -0.705 43.934 45.100 -0.769 0.000 0.876 187 G HN 0.394 nan 8.290 nan 0.000 0.478 188 V N 3.818 123.653 119.914 -0.133 0.000 2.407 188 V HA 0.335 4.455 4.120 0.000 0.000 0.278 188 V C 0.481 176.459 176.094 -0.193 0.000 1.037 188 V CA -0.733 61.535 62.300 -0.053 0.000 0.900 188 V CB 1.191 33.031 31.823 0.028 0.000 0.983 188 V HN 0.714 nan 8.190 nan 0.000 0.459 189 R N 3.507 123.855 120.500 -0.253 0.000 2.202 189 R HA 0.572 4.912 4.340 0.000 0.000 0.334 189 R C -1.014 175.078 176.300 -0.346 0.000 1.036 189 R CA -0.360 55.572 56.100 -0.279 0.000 0.878 189 R CB 1.374 31.523 30.300 -0.251 0.000 1.067 189 R HN 0.538 nan 8.270 nan 0.000 0.457 190 V N 2.902 122.522 119.914 -0.491 0.000 2.459 190 V HA 0.228 4.348 4.120 0.000 0.000 0.295 190 V C 0.441 176.278 176.094 -0.429 0.000 1.029 190 V CA -0.657 61.290 62.300 -0.588 0.000 0.874 190 V CB 1.664 32.774 31.823 -1.188 0.000 0.985 190 V HN 0.921 nan 8.190 nan 0.000 0.438 191 S N 5.160 120.716 115.700 -0.240 0.000 2.669 191 S HA 0.395 4.865 4.470 0.000 0.000 0.270 191 S C 1.013 175.572 174.600 -0.069 0.000 1.225 191 S CA -0.537 57.591 58.200 -0.120 0.000 0.991 191 S CB 1.110 64.287 63.200 -0.039 0.000 0.987 191 S HN 0.622 nan 8.310 nan 0.000 0.552 192 R N -0.357 120.141 120.500 -0.003 0.000 2.081 192 R HA -0.106 4.234 4.340 0.000 0.000 0.235 192 R C 2.277 178.614 176.300 0.061 0.000 1.131 192 R CA 1.876 57.996 56.100 0.033 0.000 0.960 192 R CB -0.859 29.487 30.300 0.077 0.000 0.856 192 R HN 0.878 nan 8.270 nan 0.000 0.436 193 H N 0.946 120.018 119.070 0.004 0.000 2.353 193 H HA -0.048 4.508 4.556 0.000 0.000 0.300 193 H C 1.521 176.870 175.328 0.035 0.000 1.090 193 H CA 2.123 58.183 56.048 0.021 0.000 1.327 193 H CB -0.126 29.645 29.762 0.016 0.000 1.383 193 H HN 0.253 nan 8.280 nan 0.000 0.508 194 N N -0.645 118.082 118.700 0.045 0.000 2.069 194 N HA -0.161 4.579 4.740 0.000 0.000 0.191 194 N C 1.700 177.229 175.510 0.031 0.000 1.031 194 N CA 1.131 54.192 53.050 0.017 0.000 0.852 194 N CB -0.087 38.388 38.487 -0.020 0.000 1.018 194 N HN 0.222 nan 8.380 nan 0.000 0.423 195 L N 0.812 122.036 121.223 0.001 0.000 2.109 195 L HA -0.011 4.329 4.340 0.000 0.000 0.207 195 L C 2.229 179.144 176.870 0.075 0.000 1.086 195 L CA 1.461 56.312 54.840 0.017 0.000 0.760 195 L CB -0.713 41.295 42.059 -0.083 0.000 0.910 195 L HN 0.162 nan 8.230 nan 0.000 0.437 196 S N -2.256 113.453 115.700 0.015 0.000 2.414 196 S HA -0.075 4.395 4.470 0.000 0.000 0.227 196 S C 1.926 176.548 174.600 0.037 0.000 1.022 196 S CA 0.933 59.161 58.200 0.047 0.000 0.958 196 S CB -0.593 62.622 63.200 0.024 0.000 0.797 196 S HN 0.450 nan 8.310 nan 0.000 0.493 197 S N 1.377 117.039 115.700 -0.064 0.000 2.402 197 S HA 0.052 4.522 4.470 0.000 0.000 0.229 197 S C 1.284 175.955 174.600 0.119 0.000 1.021 197 S CA 1.100 59.272 58.200 -0.047 0.000 0.974 197 S CB -0.662 62.448 63.200 -0.150 0.000 0.800 197 S HN 0.644 nan 8.310 nan 0.000 0.484 198 F N 2.747 122.741 119.950 0.072 0.000 2.069 198 F HA -0.180 4.347 4.527 0.000 0.000 0.298 198 F C 2.373 178.327 175.800 0.255 0.000 1.113 198 F CA 1.616 59.743 58.000 0.212 0.000 1.214 198 F CB -0.610 38.478 39.000 0.148 0.000 0.978 198 F HN 0.081 nan 8.300 nan 0.000 0.474 199 S N -0.392 115.453 115.700 0.242 0.000 2.382 199 S HA -0.220 4.250 4.470 0.000 0.000 0.228 199 S C 1.579 176.171 174.600 -0.013 0.000 1.027 199 S CA 1.515 59.781 58.200 0.110 0.000 0.991 199 S CB -0.536 62.821 63.200 0.261 0.000 0.823 199 S HN 0.608 nan 8.310 nan 0.000 0.469 200 D N 1.138 121.561 120.400 0.038 0.000 2.123 200 D HA 0.056 4.696 4.640 0.000 0.000 0.200 200 D C 2.001 178.275 176.300 -0.043 0.000 0.976 200 D CA 1.074 55.081 54.000 0.012 0.000 0.831 200 D CB -0.238 40.581 40.800 0.033 0.000 0.974 200 D HN 0.296 nan 8.370 nan 0.000 0.469 201 A N -0.367 122.418 122.820 -0.058 0.000 1.898 201 A HA -0.105 4.215 4.320 0.000 0.000 0.216 201 A C 1.969 179.394 177.584 -0.266 0.000 1.181 201 A CA 1.145 53.092 52.037 -0.150 0.000 0.620 201 A CB -1.243 17.666 19.000 -0.152 0.000 0.819 201 A HN 0.465 nan 8.150 nan 0.000 0.442 202 W N -0.180 120.948 121.300 -0.287 0.000 2.436 202 W HA 0.134 4.795 4.660 0.000 0.000 0.284 202 W C 2.461 178.915 176.519 -0.107 0.000 1.225 202 W CA 0.828 58.018 57.345 -0.258 0.000 1.271 202 W CB -0.483 28.660 29.460 -0.529 0.000 1.114 202 W HN 0.372 nan 8.180 nan 0.000 0.559 203 G N 0.650 109.440 108.800 -0.016 0.000 2.440 203 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 203 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 203 G C 1.469 176.414 174.900 0.075 0.000 1.154 203 G CA 1.117 46.111 45.100 -0.176 0.000 0.767 203 G HN 0.223 nan 8.290 nan 0.000 0.552 204 K N -0.480 119.924 120.400 0.007 0.000 2.062 204 K HA 0.157 4.477 4.320 0.000 0.000 0.205 204 K C 2.412 179.025 176.600 0.021 0.000 1.051 204 K CA 0.744 57.042 56.287 0.019 0.000 0.941 204 K CB -0.231 32.251 32.500 -0.031 0.000 0.719 204 K HN 0.307 nan 8.250 nan 0.000 0.440 205 L N 1.151 122.340 121.223 -0.056 0.000 2.027 205 L HA -0.117 4.223 4.340 0.000 0.000 0.206 205 L C 2.084 178.977 176.870 0.038 0.000 1.074 205 L CA 1.324 56.110 54.840 -0.090 0.000 0.745 205 L CB -0.094 41.757 42.059 -0.346 0.000 0.898 205 L HN 0.124 nan 8.230 nan 0.000 0.433 206 I N -0.212 120.431 120.570 0.122 0.000 2.226 206 I HA -0.208 3.962 4.170 0.000 0.000 0.245 206 I C 2.491 178.641 176.117 0.055 0.000 1.100 206 I CA 1.267 62.596 61.300 0.048 0.000 1.374 206 I CB -0.941 37.055 38.000 -0.008 0.000 1.057 206 I HN 0.431 nan 8.210 nan 0.000 0.413 207 G N 0.559 109.494 108.800 0.225 0.000 2.432 207 G HA2 -0.323 3.638 3.960 0.000 0.000 0.219 207 G HA3 -0.323 3.638 3.960 0.000 0.000 0.219 207 G C 1.348 176.307 174.900 0.098 0.000 1.135 207 G CA 1.224 46.437 45.100 0.190 0.000 0.767 207 G HN 0.419 nan 8.290 nan 0.000 0.550 208 N N 0.111 118.860 118.700 0.082 0.000 2.109 208 N HA -0.115 4.626 4.740 0.000 0.000 0.188 208 N C 2.286 177.827 175.510 0.052 0.000 1.034 208 N CA 2.204 55.287 53.050 0.053 0.000 0.846 208 N CB -0.144 38.362 38.487 0.033 0.000 1.010 208 N HN 0.224 nan 8.380 nan 0.000 0.425 209 V N -3.185 116.770 119.914 0.068 0.000 2.951 209 V HA 0.442 4.562 4.120 0.000 0.000 0.255 209 V C 0.691 176.837 176.094 0.086 0.000 1.088 209 V CA 0.930 63.283 62.300 0.088 0.000 1.109 209 V CB -0.469 31.439 31.823 0.142 0.000 0.724 209 V HN 0.331 nan 8.190 nan 0.000 0.471 210 A N 0.412 123.271 122.820 0.064 0.000 3.159 210 A HA 0.719 5.039 4.320 0.000 0.000 0.330 210 A C -1.578 175.997 177.584 -0.015 0.000 1.032 210 A CA -0.959 51.095 52.037 0.028 0.000 0.841 210 A CB 0.567 19.593 19.000 0.043 0.000 1.093 210 A HN 0.348 nan 8.150 nan 0.000 0.478 211 P HA -0.193 nan 4.420 nan 0.000 0.219 211 P C 1.544 178.841 177.300 -0.005 0.000 1.146 211 P CA 1.169 64.277 63.100 0.012 0.000 0.808 211 P CB 0.291 32.004 31.700 0.021 0.000 0.779 212 K N -0.076 120.312 120.400 -0.020 0.000 2.211 212 K HA -0.105 4.215 4.320 0.000 0.000 0.204 212 K C 1.932 178.506 176.600 -0.043 0.000 1.047 212 K CA 1.474 57.744 56.287 -0.028 0.000 0.935 212 K CB -0.871 31.608 32.500 -0.034 0.000 0.728 212 K HN -0.083 nan 8.250 nan 0.000 0.452 213 S N 0.760 116.416 115.700 -0.074 0.000 2.392 213 S HA -0.157 4.313 4.470 0.000 0.000 0.232 213 S C 1.512 176.038 174.600 -0.124 0.000 1.041 213 S CA 1.616 59.714 58.200 -0.170 0.000 1.026 213 S CB -0.359 62.556 63.200 -0.476 0.000 0.845 213 S HN 0.338 nan 8.310 nan 0.000 0.465 214 L N 0.802 122.022 121.223 -0.005 0.000 2.465 214 L HA 0.052 4.392 4.340 0.000 0.000 0.224 214 L C 2.097 178.986 176.870 0.033 0.000 1.145 214 L CA 0.803 55.698 54.840 0.092 0.000 0.834 214 L CB -0.367 41.767 42.059 0.125 0.000 0.944 214 L HN 0.268 nan 8.230 nan 0.000 0.451 215 E N -0.046 120.144 120.200 -0.015 0.000 2.472 215 E HA 0.086 4.436 4.350 0.000 0.000 0.196 215 E C 1.648 178.184 176.600 -0.107 0.000 1.033 215 E CA 0.189 56.565 56.400 -0.040 0.000 0.886 215 E CB 0.455 30.138 29.700 -0.028 0.000 0.944 215 E HN 0.506 nan 8.360 nan 0.000 0.492 216 L N 0.621 121.759 121.223 -0.141 0.000 2.628 216 L HA 0.192 4.533 4.340 0.000 0.000 0.229 216 L C 1.139 177.765 176.870 -0.406 0.000 1.137 216 L CA -0.483 54.231 54.840 -0.210 0.000 0.909 216 L CB 0.396 42.386 42.059 -0.115 0.000 1.137 216 L HN -0.037 nan 8.230 nan 0.000 0.470 217 G N -0.585 107.903 108.800 -0.519 0.000 2.305 217 G HA2 0.299 4.259 3.960 0.000 0.000 0.243 217 G HA3 0.299 4.259 3.960 0.000 0.000 0.243 217 G C 1.146 174.979 174.900 -1.778 0.000 1.288 217 G CA 0.455 44.911 45.100 -1.073 0.000 0.901 217 G HN 0.425 nan 8.290 nan 0.000 0.516 218 G N 0.366 107.841 108.800 -2.208 0.000 2.205 218 G HA2 -0.296 3.665 3.960 0.000 0.000 0.261 218 G HA3 -0.296 3.665 3.960 0.000 0.000 0.261 218 G C 0.925 175.330 174.900 -0.824 0.000 0.980 218 G CA 0.892 44.713 45.100 -2.132 0.000 0.632 218 G HN 1.317 nan 8.290 nan 0.000 0.533 219 V N 0.036 119.599 119.914 -0.585 0.000 3.159 219 V HA 0.481 4.601 4.120 0.000 0.000 0.234 219 V C 2.049 178.010 176.094 -0.222 0.000 1.313 219 V CA 1.147 63.256 62.300 -0.318 0.000 1.271 219 V CB -0.037 31.636 31.823 -0.250 0.000 1.053 219 V HN 0.793 nan 8.190 nan 0.000 0.476 220 G N 0.669 109.344 108.800 -0.209 0.000 2.651 220 G HA2 0.446 4.406 3.960 0.000 0.000 0.260 220 G HA3 0.446 4.406 3.960 0.000 0.000 0.260 220 G C -0.520 174.332 174.900 -0.081 0.000 1.216 220 G CA -0.113 44.924 45.100 -0.104 0.000 0.913 220 G HN 0.325 nan 8.290 nan 0.000 0.535 221 K N -0.739 119.652 120.400 -0.015 0.000 2.525 221 K HA 0.283 4.603 4.320 0.000 0.000 0.254 221 K C -2.027 174.608 176.600 0.059 0.000 0.934 221 K CA -0.636 55.653 56.287 0.004 0.000 0.802 221 K CB 2.686 35.169 32.500 -0.028 0.000 1.295 221 K HN 0.310 nan 8.250 nan 0.000 0.433 222 F N 3.004 122.924 119.950 -0.050 0.000 2.388 222 F HA 0.309 4.836 4.527 0.000 0.000 0.358 222 F C -0.473 175.297 175.800 -0.050 0.000 1.122 222 F CA -1.351 56.640 58.000 -0.016 0.000 1.056 222 F CB 0.826 39.781 39.000 -0.074 0.000 1.155 222 F HN 0.370 nan 8.300 nan 0.000 0.461 223 L N 6.580 127.941 121.223 0.229 0.000 2.418 223 L HA 0.238 4.578 4.340 0.000 0.000 0.274 223 L C -0.726 176.267 176.870 0.205 0.000 1.135 223 L CA 0.097 54.991 54.840 0.089 0.000 0.870 223 L CB 0.034 41.996 42.059 -0.161 0.000 1.154 223 L HN 0.696 nan 8.230 nan 0.000 0.462 224 C N 6.808 126.180 119.300 0.120 0.000 2.116 224 C HA 0.221 4.681 4.460 0.000 0.000 0.367 224 C C 1.272 176.300 174.990 0.063 0.000 1.039 224 C CA -0.599 58.477 59.018 0.097 0.000 1.465 224 C CB -0.773 27.040 27.740 0.122 0.000 1.783 224 C HN 0.882 nan 8.230 nan 0.000 0.470 225 L N 3.078 124.340 121.223 0.065 0.000 2.470 225 L HA 0.421 4.761 4.340 0.000 0.000 0.219 225 L C 1.620 178.519 176.870 0.048 0.000 1.071 225 L CA 0.844 55.705 54.840 0.035 0.000 0.850 225 L CB -0.528 41.553 42.059 0.037 0.000 1.040 225 L HN 0.561 nan 8.230 nan 0.000 0.475 226 A N 0.017 122.885 122.820 0.081 0.000 2.498 226 A HA 0.301 4.621 4.320 0.000 0.000 0.239 226 A C 0.623 178.253 177.584 0.078 0.000 1.068 226 A CA 0.563 52.674 52.037 0.123 0.000 0.766 226 A CB -0.237 18.865 19.000 0.170 0.000 1.003 226 A HN 0.365 nan 8.150 nan 0.000 0.497 227 S N 0.894 116.656 115.700 0.103 0.000 2.558 227 S HA 0.003 4.474 4.470 0.000 0.000 0.291 227 S C 1.296 175.767 174.600 -0.214 0.000 1.306 227 S CA 0.014 58.180 58.200 -0.056 0.000 1.056 227 S CB 0.112 63.261 63.200 -0.085 0.000 0.836 227 S HN 0.635 nan 8.310 nan 0.000 0.504 228 R N 3.127 123.377 120.500 -0.417 0.000 2.328 228 R HA -0.011 4.329 4.340 0.000 0.000 0.207 228 R C 2.182 178.196 176.300 -0.477 0.000 1.056 228 R CA 0.955 56.583 56.100 -0.786 0.000 1.016 228 R CB -0.452 29.445 30.300 -0.672 0.000 0.872 228 R HN 0.715 nan 8.270 nan 0.000 0.471 229 A N 0.413 122.940 122.820 -0.489 0.000 2.067 229 A HA -0.026 4.294 4.320 0.000 0.000 0.219 229 A C 0.195 177.427 177.584 -0.588 0.000 1.158 229 A CA 0.876 52.551 52.037 -0.604 0.000 0.661 229 A CB 0.001 18.446 19.000 -0.925 0.000 0.801 229 A HN 0.085 nan 8.150 nan 0.000 0.452 230 F N -0.589 119.394 119.950 0.054 0.000 2.556 230 F HA 0.362 4.889 4.527 0.000 0.000 0.327 230 F C 1.059 176.939 175.800 0.133 0.000 1.059 230 F CA -1.393 56.654 58.000 0.078 0.000 0.953 230 F CB 0.980 40.002 39.000 0.037 0.000 1.227 230 F HN 0.147 nan 8.300 nan 0.000 0.478 231 D N -0.363 120.170 120.400 0.222 0.000 2.310 231 D HA -0.100 4.540 4.640 0.000 0.000 0.212 231 D C 1.693 177.920 176.300 -0.123 0.000 0.965 231 D CA 0.830 54.808 54.000 -0.038 0.000 0.879 231 D CB -0.754 40.031 40.800 -0.026 0.000 0.921 231 D HN 0.246 nan 8.370 nan 0.000 0.510 232 V N 2.008 121.938 119.914 0.028 0.000 2.453 232 V HA -0.302 3.819 4.120 0.000 0.000 0.252 232 V C 2.568 178.645 176.094 -0.027 0.000 1.068 232 V CA 2.098 64.386 62.300 -0.019 0.000 1.070 232 V CB -1.105 30.745 31.823 0.045 0.000 0.664 232 V HN 0.558 nan 8.190 nan 0.000 0.461 233 H N -0.722 118.322 119.070 -0.043 0.000 2.457 233 H HA -0.038 4.519 4.556 0.000 0.000 0.294 233 H C 2.146 177.412 175.328 -0.103 0.000 1.064 233 H CA 1.763 57.776 56.048 -0.059 0.000 1.330 233 H CB -0.206 29.536 29.762 -0.033 0.000 1.395 233 H HN 0.432 nan 8.280 nan 0.000 0.541 234 I N 1.274 121.469 120.570 -0.625 0.000 2.333 234 I HA -0.081 4.089 4.170 0.000 0.000 0.246 234 I C 3.003 178.981 176.117 -0.231 0.000 1.106 234 I CA 0.994 61.998 61.300 -0.494 0.000 1.411 234 I CB -0.428 37.145 38.000 -0.711 0.000 1.082 234 I HN 0.350 nan 8.210 nan 0.000 0.420 235 G N 0.407 108.992 108.800 -0.358 0.000 2.446 235 G HA2 -0.182 3.779 3.960 0.000 0.000 0.217 235 G HA3 -0.182 3.779 3.960 0.000 0.000 0.217 235 G C 0.821 175.577 174.900 -0.240 0.000 1.168 235 G CA 0.345 45.272 45.100 -0.288 0.000 0.771 235 G HN 0.367 nan 8.290 nan 0.000 0.551 239 L N 0.114 121.288 121.223 -0.082 0.000 2.109 239 L HA -0.026 4.314 4.340 0.000 0.000 0.207 239 L C 2.609 179.481 176.870 0.004 0.000 1.086 239 L CA 1.354 56.161 54.840 -0.055 0.000 0.760 239 L CB -0.687 41.276 42.059 -0.161 0.000 0.910 239 L HN 0.229 nan 8.230 nan 0.000 0.437 240 A N 0.069 122.724 122.820 -0.275 0.000 1.883 240 A HA -0.230 4.090 4.320 0.000 0.000 0.217 240 A C 1.955 179.635 177.584 0.161 0.000 1.186 240 A CA 1.619 53.622 52.037 -0.057 0.000 0.624 240 A CB -0.804 18.021 19.000 -0.292 0.000 0.822 240 A HN 0.503 nan 8.150 nan 0.000 0.444 241 W N -0.350 121.062 121.300 0.187 0.000 2.436 241 W HA -0.019 4.641 4.660 0.000 0.000 0.284 241 W C 2.308 179.098 176.519 0.452 0.000 1.225 241 W CA 1.028 58.615 57.345 0.403 0.000 1.271 241 W CB -0.872 28.789 29.460 0.334 0.000 1.114 241 W HN 0.452 nan 8.180 nan 0.000 0.559 242 R N 0.393 121.099 120.500 0.343 0.000 2.117 242 R HA -0.198 4.142 4.340 0.000 0.000 0.243 242 R C 1.587 177.818 176.300 -0.114 0.000 1.143 242 R CA 1.653 57.633 56.100 -0.201 0.000 0.968 242 R CB -1.168 28.838 30.300 -0.489 0.000 0.863 242 R HN 0.072 nan 8.270 nan 0.000 0.444 243 F N -0.940 119.099 119.950 0.148 0.000 2.695 243 F HA 0.358 4.885 4.527 0.000 0.000 0.303 243 F C 1.438 177.098 175.800 -0.233 0.000 1.091 243 F CA 0.432 58.431 58.000 -0.002 0.000 1.300 243 F CB 0.800 39.731 39.000 -0.115 0.000 1.071 243 F HN 0.306 nan 8.300 nan 0.000 0.578 244 G N 0.977 109.715 108.800 -0.104 0.000 2.143 244 G HA2 -0.281 3.679 3.960 0.000 0.000 0.248 244 G HA3 -0.281 3.679 3.960 0.000 0.000 0.248 244 G C 0.297 175.117 174.900 -0.133 0.000 0.991 244 G CA 0.167 44.952 45.100 -0.526 0.000 0.689 244 G HN 0.285 nan 8.290 nan 0.000 0.522 245 L N -1.003 120.267 121.223 0.078 0.000 2.490 245 L HA 0.580 4.920 4.340 0.000 0.000 0.245 245 L C 1.349 178.310 176.870 0.152 0.000 1.185 245 L CA -0.895 53.958 54.840 0.023 0.000 0.813 245 L CB 0.805 42.861 42.059 -0.006 0.000 1.233 245 L HN 0.245 nan 8.230 nan 0.000 0.489 246 C N 1.645 120.967 119.300 0.035 0.000 2.285 246 C HA 0.640 5.101 4.460 0.000 0.000 0.335 246 C C 0.755 175.719 174.990 -0.044 0.000 1.267 246 C CA -1.024 57.997 59.018 0.005 0.000 1.762 246 C CB -0.428 27.293 27.740 -0.031 0.000 2.365 246 C HN 0.753 nan 8.230 nan 0.000 0.527 247 A N 5.628 128.359 122.820 -0.149 0.000 2.491 247 A HA 0.489 4.809 4.320 0.000 0.000 0.261 247 A C -0.099 177.383 177.584 -0.169 0.000 1.101 247 A CA 0.106 51.990 52.037 -0.255 0.000 0.772 247 A CB 0.204 18.824 19.000 -0.633 0.000 1.043 247 A HN 1.309 nan 8.150 nan 0.000 0.501 248 V N 3.159 123.058 119.914 -0.026 0.000 2.680 248 V HA 0.878 4.998 4.120 0.000 0.000 0.309 248 V C -0.072 176.071 176.094 0.083 0.000 1.052 248 V CA 0.387 62.695 62.300 0.014 0.000 0.908 248 V CB 2.198 34.014 31.823 -0.011 0.000 1.001 248 V HN 1.193 nan 8.190 nan 0.000 0.431 249 T N 3.253 117.877 114.554 0.117 0.000 2.739 249 T HA 0.853 5.203 4.350 0.000 0.000 0.303 249 T C -0.514 174.249 174.700 0.106 0.000 1.389 249 T CA 0.144 62.314 62.100 0.116 0.000 1.001 249 T CB 1.641 70.606 68.868 0.162 0.000 1.436 249 T HN 1.433 nan 8.240 nan 0.000 0.500 250 G N 0.361 109.204 108.800 0.073 0.000 2.600 250 G HA2 0.524 4.484 3.960 0.000 0.000 0.293 250 G HA3 0.524 4.484 3.960 0.000 0.000 0.293 250 G C -1.285 173.601 174.900 -0.024 0.000 1.408 250 G CA -0.662 44.488 45.100 0.082 0.000 0.782 250 G HN 0.852 nan 8.290 nan 0.000 0.482 251 E N 0.036 120.202 120.200 -0.056 0.000 2.558 251 E HA 0.042 4.392 4.350 0.000 0.000 0.255 251 E C 1.431 177.936 176.600 -0.159 0.000 0.968 251 E CA -0.014 56.322 56.400 -0.107 0.000 0.939 251 E CB 0.497 30.133 29.700 -0.106 0.000 0.921 251 E HN 0.463 nan 8.360 nan 0.000 0.477 252 R N 3.535 123.962 120.500 -0.121 0.000 2.091 252 R HA -0.180 4.160 4.340 0.000 0.000 0.238 252 R C 2.165 178.382 176.300 -0.139 0.000 1.136 252 R CA 1.484 57.516 56.100 -0.112 0.000 0.959 252 R CB -0.320 29.936 30.300 -0.075 0.000 0.856 252 R HN 0.662 nan 8.270 nan 0.000 0.437 253 L N 0.571 121.713 121.223 -0.135 0.000 2.079 253 L HA -0.130 4.210 4.340 0.000 0.000 0.210 253 L C 1.323 178.062 176.870 -0.219 0.000 1.081 253 L CA 0.749 55.509 54.840 -0.134 0.000 0.752 253 L CB -0.341 41.656 42.059 -0.104 0.000 0.896 253 L HN 0.106 nan 8.230 nan 0.000 0.433 257 D N 1.400 121.758 120.400 -0.069 0.000 2.097 257 D HA -0.153 4.487 4.640 0.000 0.000 0.195 257 D C 0.482 176.795 176.300 0.022 0.000 0.989 257 D CA 1.635 55.616 54.000 -0.033 0.000 0.827 257 D CB 0.386 41.154 40.800 -0.053 0.000 0.966 257 D HN 0.207 nan 8.370 nan 0.000 0.456 258 D N -0.311 120.122 120.400 0.055 0.000 2.346 258 D HA 0.025 4.665 4.640 0.000 0.000 0.255 258 D C 0.844 177.225 176.300 0.135 0.000 1.276 258 D CA -0.491 53.565 54.000 0.094 0.000 0.941 258 D CB 0.521 41.388 40.800 0.112 0.000 1.199 258 D HN -0.043 nan 8.370 nan 0.000 0.537 259 L N 5.162 126.467 121.223 0.138 0.000 2.046 259 L HA 0.127 4.467 4.340 0.000 0.000 0.208 259 L C -1.007 176.048 176.870 0.307 0.000 1.077 259 L CA 1.828 56.800 54.840 0.219 0.000 0.747 259 L CB -0.987 41.191 42.059 0.198 0.000 0.896 259 L HN 0.299 nan 8.230 nan 0.000 0.432 260 P HA -0.220 nan 4.420 nan 0.000 0.216 260 P C 1.607 179.035 177.300 0.212 0.000 1.153 260 P CA 1.508 64.722 63.100 0.191 0.000 0.858 260 P CB -0.163 31.599 31.700 0.105 0.000 0.789 261 R N -0.700 119.905 120.500 0.176 0.000 2.105 261 R HA -0.115 4.225 4.340 0.000 0.000 0.239 261 R C 1.834 178.242 176.300 0.180 0.000 1.135 261 R CA 2.010 58.205 56.100 0.158 0.000 0.967 261 R CB -0.872 29.519 30.300 0.152 0.000 0.861 261 R HN 0.139 nan 8.270 nan 0.000 0.442 262 T N 0.421 115.110 114.554 0.224 0.000 2.674 262 T HA -0.118 4.232 4.350 0.000 0.000 0.265 262 T C 1.457 176.207 174.700 0.083 0.000 1.039 262 T CA 1.622 63.826 62.100 0.172 0.000 1.150 262 T CB -0.317 68.632 68.868 0.135 0.000 0.864 262 T HN 0.171 nan 8.240 nan 0.000 0.427 263 F N 1.136 121.144 119.950 0.097 0.000 2.102 263 F HA 0.013 4.540 4.527 0.000 0.000 0.298 263 F C 2.684 178.548 175.800 0.108 0.000 1.105 263 F CA 1.174 59.228 58.000 0.090 0.000 1.239 263 F CB -0.225 38.827 39.000 0.087 0.000 0.991 263 F HN -0.037 nan 8.300 nan 0.000 0.474 264 R N 0.534 121.210 120.500 0.293 0.000 2.070 264 R HA -0.145 4.195 4.340 0.000 0.000 0.232 264 R C 1.964 178.366 176.300 0.169 0.000 1.138 264 R CA 1.775 58.001 56.100 0.210 0.000 0.936 264 R CB -0.224 30.160 30.300 0.141 0.000 0.839 264 R HN 0.136 nan 8.270 nan 0.000 0.429 265 E N 0.378 120.639 120.200 0.102 0.000 2.371 265 E HA -0.059 4.291 4.350 0.000 0.000 0.194 265 E C 1.645 178.243 176.600 -0.003 0.000 1.012 265 E CA 0.551 56.973 56.400 0.037 0.000 0.860 265 E CB 0.281 29.974 29.700 -0.011 0.000 0.811 265 E HN 0.451 nan 8.360 nan 0.000 0.502 266 L N -0.140 121.085 121.223 0.004 0.000 2.628 266 L HA 0.228 4.568 4.340 0.000 0.000 0.229 266 L C 0.910 177.746 176.870 -0.057 0.000 1.137 266 L CA 0.094 54.910 54.840 -0.039 0.000 0.909 266 L CB -0.015 42.019 42.059 -0.040 0.000 1.137 266 L HN 0.086 nan 8.230 nan 0.000 0.470 267 G N 1.343 110.115 108.800 -0.047 0.000 2.323 267 G HA2 -0.248 3.712 3.960 0.000 0.000 0.292 267 G HA3 -0.248 3.712 3.960 0.000 0.000 0.292 267 G C 0.127 174.986 174.900 -0.069 0.000 1.040 267 G CA 0.031 45.020 45.100 -0.185 0.000 0.942 267 G HN 0.131 nan 8.290 nan 0.000 0.506 268 V N 0.696 120.644 119.914 0.056 0.000 2.521 268 V HA 0.397 4.517 4.120 0.000 0.000 0.286 268 V C 1.714 177.873 176.094 0.108 0.000 1.034 268 V CA 1.043 63.365 62.300 0.037 0.000 1.045 268 V CB 1.136 32.922 31.823 -0.063 0.000 0.974 268 V HN 0.794 nan 8.190 nan 0.000 0.480 269 T N 0.725 115.318 114.554 0.065 0.000 2.990 269 T HA 0.217 4.567 4.350 0.000 0.000 0.250 269 T C 0.356 174.954 174.700 -0.170 0.000 1.041 269 T CA 0.175 62.294 62.100 0.032 0.000 1.010 269 T CB 0.070 68.994 68.868 0.092 0.000 1.003 269 T HN 0.654 nan 8.240 nan 0.000 0.499 270 H N 0.525 119.437 119.070 -0.263 0.000 2.806 270 H HA 0.860 5.416 4.556 0.000 0.000 0.367 270 H C -0.538 174.341 175.328 -0.748 0.000 1.136 270 H CA -0.347 55.381 56.048 -0.534 0.000 1.178 270 H CB 2.029 31.148 29.762 -1.073 0.000 1.718 270 H HN 0.485 nan 8.280 nan 0.000 0.540 271 A N 1.215 123.820 122.820 -0.359 0.000 2.601 271 A HA 0.774 5.094 4.320 0.000 0.000 0.291 271 A C -0.915 176.727 177.584 0.096 0.000 1.075 271 A CA -0.270 51.730 52.037 -0.061 0.000 0.671 271 A CB 1.435 20.520 19.000 0.142 0.000 1.277 271 A HN 0.896 nan 8.150 nan 0.000 0.417 272 G N -0.407 108.526 108.800 0.221 0.000 2.617 272 G HA2 0.686 4.646 3.960 0.000 0.000 0.306 272 G HA3 0.686 4.646 3.960 0.000 0.000 0.306 272 G C -1.333 173.606 174.900 0.064 0.000 1.360 272 G CA -0.390 44.791 45.100 0.135 0.000 0.983 272 G HN 1.262 nan 8.290 nan 0.000 0.496 273 I N 1.424 121.983 120.570 -0.019 0.000 2.908 273 I HA 0.501 4.671 4.170 0.000 0.000 0.300 273 I C -0.403 175.665 176.117 -0.081 0.000 1.385 273 I CA -1.183 60.094 61.300 -0.037 0.000 1.004 273 I CB 2.416 40.379 38.000 -0.061 0.000 1.309 273 I HN 0.573 nan 8.210 nan 0.000 0.449 274 V N 4.418 124.286 119.914 -0.076 0.000 2.649 274 V HA 0.515 4.635 4.120 0.000 0.000 0.292 274 V C -2.134 173.898 176.094 -0.104 0.000 1.055 274 V CA -0.786 61.458 62.300 -0.092 0.000 1.023 274 V CB 0.709 32.476 31.823 -0.094 0.000 0.992 274 V HN 0.708 nan 8.190 nan 0.000 0.480 275 P HA -0.019 nan 4.420 nan 0.000 0.229 275 P C 1.634 178.880 177.300 -0.091 0.000 1.160 275 P CA 1.459 64.481 63.100 -0.130 0.000 0.777 275 P CB 0.099 31.733 31.700 -0.110 0.000 0.814 276 S N -0.582 115.080 115.700 -0.063 0.000 2.447 276 S HA -0.090 4.380 4.470 0.000 0.000 0.233 276 S C 1.842 176.422 174.600 -0.034 0.000 1.006 276 S CA 0.493 58.669 58.200 -0.039 0.000 0.957 276 S CB -1.407 61.776 63.200 -0.030 0.000 0.773 276 S HN -0.020 nan 8.310 nan 0.000 0.507 277 L N 1.325 122.521 121.223 -0.045 0.000 2.141 277 L HA 0.220 4.560 4.340 0.000 0.000 0.209 277 L C 2.122 178.971 176.870 -0.036 0.000 1.094 277 L CA 1.250 56.072 54.840 -0.029 0.000 0.763 277 L CB -0.686 41.359 42.059 -0.024 0.000 0.908 277 L HN 0.338 nan 8.230 nan 0.000 0.437 278 L N -1.157 120.016 121.223 -0.083 0.000 2.056 278 L HA -0.192 4.148 4.340 0.000 0.000 0.207 278 L C 2.245 179.122 176.870 0.011 0.000 1.078 278 L CA 1.220 56.012 54.840 -0.080 0.000 0.749 278 L CB -0.820 41.106 42.059 -0.221 0.000 0.901 278 L HN 0.234 nan 8.230 nan 0.000 0.433 279 D N -0.251 120.150 120.400 0.002 0.000 2.104 279 D HA -0.251 4.389 4.640 0.000 0.000 0.194 279 D C 2.123 178.436 176.300 0.022 0.000 0.994 279 D CA 1.365 55.379 54.000 0.023 0.000 0.830 279 D CB -0.094 40.712 40.800 0.010 0.000 0.959 279 D HN 0.380 nan 8.370 nan 0.000 0.452 280 Q N 0.186 119.993 119.800 0.011 0.000 2.050 280 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 280 Q C 1.891 177.904 176.000 0.021 0.000 0.980 280 Q CA 2.116 57.927 55.803 0.014 0.000 0.840 280 Q CB -0.005 28.738 28.738 0.009 0.000 0.898 280 Q HN 0.352 nan 8.270 nan 0.000 0.424 281 T N -3.781 110.789 114.554 0.027 0.000 3.085 281 T HA 0.162 4.512 4.350 0.000 0.000 0.263 281 T C 1.279 176.005 174.700 0.044 0.000 1.127 281 T CA 0.635 62.758 62.100 0.037 0.000 1.103 281 T CB -0.019 68.876 68.868 0.046 0.000 0.921 281 T HN 0.558 nan 8.240 nan 0.000 0.510 282 G N 1.051 109.881 108.800 0.050 0.000 2.179 282 G HA2 -0.231 3.729 3.960 0.000 0.000 0.257 282 G HA3 -0.231 3.729 3.960 0.000 0.000 0.257 282 G C -0.067 174.882 174.900 0.081 0.000 1.010 282 G CA 0.168 45.302 45.100 0.056 0.000 0.736 282 G HN 0.714 nan 8.290 nan 0.000 0.513 283 L N 0.676 121.971 121.223 0.121 0.000 2.525 283 L HA 0.475 4.815 4.340 0.000 0.000 0.278 283 L C 0.928 177.958 176.870 0.268 0.000 1.218 283 L CA 0.588 55.531 54.840 0.171 0.000 0.878 283 L CB 1.002 43.149 42.059 0.148 0.000 1.127 283 L HN 0.738 nan 8.230 nan 0.000 0.492 284 V N 2.551 122.486 119.914 0.036 0.000 3.158 284 V HA 0.594 4.714 4.120 0.000 0.000 0.315 284 V C -2.221 173.502 176.094 -0.619 0.000 1.148 284 V CA -1.534 60.543 62.300 -0.371 0.000 1.042 284 V CB 1.125 32.754 31.823 -0.324 0.000 1.101 284 V HN 0.598 nan 8.190 nan 0.000 0.448 285 P HA -0.073 nan 4.420 nan 0.000 0.219 285 P C 1.031 178.139 177.300 -0.320 0.000 1.146 285 P CA 1.384 64.043 63.100 -0.735 0.000 0.808 285 P CB 0.189 31.489 31.700 -0.667 0.000 0.779 286 E N -0.987 119.048 120.200 -0.274 0.000 2.418 286 E HA -0.103 4.247 4.350 0.000 0.000 0.197 286 E C 1.382 177.916 176.600 -0.110 0.000 1.026 286 E CA 0.665 56.964 56.400 -0.169 0.000 0.862 286 E CB -0.799 28.812 29.700 -0.148 0.000 0.799 286 E HN 0.297 nan 8.360 nan 0.000 0.518 287 D N 0.069 120.413 120.400 -0.093 0.000 2.312 287 D HA -0.016 4.624 4.640 0.000 0.000 0.211 287 D C 0.143 176.451 176.300 0.015 0.000 0.964 287 D CA 0.706 54.691 54.000 -0.025 0.000 0.877 287 D CB 0.257 41.054 40.800 -0.004 0.000 0.924 287 D HN 0.105 nan 8.370 nan 0.000 0.515 288 A N 1.182 123.995 122.820 -0.011 0.000 3.105 288 A HA 0.380 4.701 4.320 0.000 0.000 0.336 288 A C -1.823 175.763 177.584 0.003 0.000 1.042 288 A CA -1.024 51.057 52.037 0.072 0.000 0.851 288 A CB 0.940 19.946 19.000 0.011 0.000 1.068 288 A HN -0.156 nan 8.150 nan 0.000 0.477 289 P HA -0.123 nan 4.420 nan 0.000 0.222 289 P C 0.542 177.636 177.300 -0.343 0.000 1.147 289 P CA 1.504 64.439 63.100 -0.276 0.000 0.790 289 P CB -0.032 31.411 31.700 -0.428 0.000 0.780 290 H N -2.167 116.923 119.070 0.032 0.000 2.551 290 H HA 0.200 4.757 4.556 0.000 0.000 0.271 290 H C 0.623 175.950 175.328 -0.002 0.000 0.984 290 H CA -0.650 55.404 56.048 0.010 0.000 1.164 290 H CB -0.320 29.450 29.762 0.012 0.000 1.437 290 H HN 0.023 nan 8.280 nan 0.000 0.550 291 L N 2.101 123.385 121.223 0.101 0.000 2.499 291 L HA -0.010 4.330 4.340 0.000 0.000 0.273 291 L C 1.104 177.953 176.870 -0.036 0.000 1.195 291 L CA 0.218 55.089 54.840 0.052 0.000 0.882 291 L CB 0.681 42.808 42.059 0.114 0.000 1.133 291 L HN 0.246 nan 8.230 nan 0.000 0.483 292 V N 2.724 122.548 119.914 -0.150 0.000 3.604 292 V HA 0.345 4.465 4.120 0.000 0.000 0.277 292 V C -0.308 175.708 176.094 -0.129 0.000 1.399 292 V CA -0.226 61.981 62.300 -0.155 0.000 1.034 292 V CB -0.483 31.223 31.823 -0.195 0.000 0.824 292 V HN 0.736 nan 8.190 nan 0.000 0.439 293 Y N 0.678 120.769 120.300 -0.349 0.000 2.441 293 Y HA 0.736 5.286 4.550 0.000 0.000 0.334 293 Y C -1.797 174.002 175.900 -0.168 0.000 1.061 293 Y CA -1.580 56.368 58.100 -0.253 0.000 1.032 293 Y CB 2.188 40.445 38.460 -0.338 0.000 1.266 293 Y HN 0.132 nan 8.280 nan 0.000 0.441 294 L N 6.272 126.952 121.223 -0.905 0.000 2.457 294 L HA 0.794 5.134 4.340 0.000 0.000 0.266 294 L C -0.560 175.847 176.870 -0.773 0.000 0.979 294 L CA -0.217 54.213 54.840 -0.683 0.000 0.857 294 L CB 1.481 43.278 42.059 -0.438 0.000 1.213 294 L HN 0.840 nan 8.230 nan 0.000 0.418 295 G N 4.198 112.622 108.800 -0.628 0.000 2.353 295 G HA2 0.556 4.516 3.960 0.000 0.000 0.284 295 G HA3 0.556 4.516 3.960 0.000 0.000 0.284 295 G C -0.659 174.164 174.900 -0.128 0.000 1.172 295 G CA -0.055 44.918 45.100 -0.212 0.000 0.854 295 G HN 0.852 nan 8.290 nan 0.000 0.485 296 V N 0.647 120.509 119.914 -0.087 0.000 2.864 296 V HA 1.076 5.196 4.120 0.000 0.000 0.314 296 V C 0.345 176.423 176.094 -0.027 0.000 1.073 296 V CA -0.181 62.066 62.300 -0.087 0.000 0.956 296 V CB 1.511 33.253 31.823 -0.135 0.000 1.023 296 V HN 1.451 nan 8.190 nan 0.000 0.435 297 G N -0.339 108.433 108.800 -0.046 0.000 2.441 297 G HA2 0.669 4.630 3.960 0.000 0.000 0.294 297 G HA3 0.669 4.630 3.960 0.000 0.000 0.294 297 G C 0.275 175.127 174.900 -0.081 0.000 1.393 297 G CA -0.021 45.058 45.100 -0.035 0.000 0.796 297 G HN 2.092 nan 8.290 nan 0.000 0.494 298 G N -0.977 107.763 108.800 -0.100 0.000 2.234 298 G HA2 0.066 4.026 3.960 0.000 0.000 0.235 298 G HA3 0.066 4.026 3.960 0.000 0.000 0.235 298 G C 0.262 175.081 174.900 -0.135 0.000 0.997 298 G CA 1.563 46.581 45.100 -0.137 0.000 0.623 298 G HN 1.900 nan 8.290 nan 0.000 0.514 299 E N -0.789 119.339 120.200 -0.120 0.000 2.416 299 E HA 0.539 4.890 4.350 0.000 0.000 0.280 299 E C -0.469 176.077 176.600 -0.091 0.000 1.055 299 E CA -1.001 55.333 56.400 -0.110 0.000 0.825 299 E CB 0.926 30.579 29.700 -0.078 0.000 1.312 299 E HN 0.188 nan 8.360 nan 0.000 0.452 303 P HA -0.058 nan 4.420 nan 0.000 0.216 303 P C 1.617 178.934 177.300 0.028 0.000 1.153 303 P CA 1.001 64.115 63.100 0.023 0.000 0.858 303 P CB 0.102 31.812 31.700 0.017 0.000 0.789 304 R N -0.927 119.590 120.500 0.029 0.000 2.092 304 R HA -0.081 4.259 4.340 0.000 0.000 0.231 304 R C 1.981 178.320 176.300 0.065 0.000 1.119 304 R CA 1.753 57.873 56.100 0.033 0.000 0.970 304 R CB -0.799 29.517 30.300 0.026 0.000 0.864 304 R HN 0.109 nan 8.270 nan 0.000 0.440 305 T N 0.864 115.469 114.554 0.085 0.000 2.684 305 T HA -0.237 4.114 4.350 0.000 0.000 0.267 305 T C 1.681 176.491 174.700 0.184 0.000 1.036 305 T CA 1.606 63.802 62.100 0.160 0.000 1.148 305 T CB -0.197 68.725 68.868 0.089 0.000 0.863 305 T HN 0.386 nan 8.240 nan 0.000 0.436 306 Q N 0.442 120.303 119.800 0.101 0.000 2.077 306 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 306 Q C 2.382 178.428 176.000 0.077 0.000 0.989 306 Q CA 1.670 57.526 55.803 0.088 0.000 0.853 306 Q CB -0.107 28.662 28.738 0.051 0.000 0.907 306 Q HN 0.623 nan 8.270 nan 0.000 0.418 307 Q N -0.328 119.501 119.800 0.048 0.000 2.050 307 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 307 Q C 2.145 178.136 176.000 -0.016 0.000 0.980 307 Q CA 1.186 56.996 55.803 0.012 0.000 0.840 307 Q CB 0.028 28.766 28.738 0.000 0.000 0.898 307 Q HN 0.426 nan 8.270 nan 0.000 0.424 308 I N -1.302 119.258 120.570 -0.016 0.000 2.252 308 I HA -0.221 3.949 4.170 0.000 0.000 0.245 308 I C 1.278 177.231 176.117 -0.273 0.000 1.102 308 I CA 1.467 62.674 61.300 -0.155 0.000 1.385 308 I CB -0.642 37.261 38.000 -0.161 0.000 1.064 308 I HN 0.381 nan 8.210 nan 0.000 0.414 309 W N 0.352 121.615 121.300 -0.063 0.000 3.058 309 W HA 0.026 4.686 4.660 0.000 0.000 0.306 309 W C 2.442 178.921 176.519 -0.066 0.000 1.188 309 W CA 0.576 57.875 57.345 -0.077 0.000 1.651 309 W CB 0.009 29.415 29.460 -0.090 0.000 1.051 309 W HN 0.063 nan 8.180 nan 0.000 0.592 310 S N -1.066 114.710 115.700 0.128 0.000 2.556 310 S HA 0.018 4.489 4.470 0.000 0.000 0.216 310 S C 1.252 175.873 174.600 0.034 0.000 0.970 310 S CA 0.455 58.704 58.200 0.082 0.000 0.912 310 S CB -0.405 62.833 63.200 0.064 0.000 0.790 310 S HN 0.031 nan 8.310 nan 0.000 0.504 311 S N 0.575 116.274 115.700 -0.001 0.000 2.663 311 S HA 0.362 4.833 4.470 0.000 0.000 0.243 311 S C 0.255 174.828 174.600 -0.045 0.000 1.009 311 S CA -0.364 57.822 58.200 -0.023 0.000 0.988 311 S CB 0.066 63.244 63.200 -0.037 0.000 0.896 311 S HN 0.356 nan 8.310 nan 0.000 0.502 312 S N 1.788 117.461 115.700 -0.044 0.000 2.586 312 S HA 0.319 4.789 4.470 0.000 0.000 0.274 312 S C 0.528 175.106 174.600 -0.037 0.000 1.281 312 S CA -0.193 57.967 58.200 -0.068 0.000 1.035 312 S CB 0.826 63.976 63.200 -0.084 0.000 0.962 312 S HN 0.507 nan 8.310 nan 0.000 0.512 313 D N 2.516 122.890 120.400 -0.043 0.000 2.349 313 D HA 0.089 4.729 4.640 0.000 0.000 0.214 313 D C 1.324 177.609 176.300 -0.026 0.000 1.063 313 D CA 0.015 53.999 54.000 -0.027 0.000 0.847 313 D CB -0.003 40.781 40.800 -0.026 0.000 0.933 313 D HN 0.550 nan 8.370 nan 0.000 0.513 314 R N 0.246 120.724 120.500 -0.036 0.000 2.142 314 R HA 0.204 4.544 4.340 0.000 0.000 0.204 314 R C -0.298 175.988 176.300 -0.023 0.000 1.059 314 R CA 0.297 56.377 56.100 -0.035 0.000 1.055 314 R CB 0.447 30.716 30.300 -0.051 0.000 0.976 314 R HN 0.008 nan 8.270 nan 0.000 0.483 315 V N 2.282 122.191 119.914 -0.009 0.000 2.407 315 V HA 0.485 4.605 4.120 0.000 0.000 0.278 315 V C -0.180 175.931 176.094 0.027 0.000 1.037 315 V CA -0.801 61.510 62.300 0.019 0.000 0.900 315 V CB 1.183 33.068 31.823 0.103 0.000 0.983 315 V HN 0.337 nan 8.190 nan 0.000 0.459 316 A N 5.640 128.472 122.820 0.020 0.000 2.320 316 A HA 0.702 5.022 4.320 0.000 0.000 0.287 316 A C -0.723 176.843 177.584 -0.030 0.000 1.181 316 A CA -0.270 51.792 52.037 0.042 0.000 0.831 316 A CB 0.435 19.509 19.000 0.123 0.000 1.102 316 A HN 0.792 nan 8.150 nan 0.000 0.513 317 L N 4.000 125.222 121.223 -0.003 0.000 2.296 317 L HA 0.702 5.042 4.340 0.000 0.000 0.286 317 L C -0.903 175.962 176.870 -0.008 0.000 1.023 317 L CA -0.122 54.688 54.840 -0.050 0.000 0.812 317 L CB 1.801 43.873 42.059 0.022 0.000 1.223 317 L HN 0.395 nan 8.230 nan 0.000 0.421 318 V N 4.610 124.504 119.914 -0.033 0.000 2.577 318 V HA 0.439 4.559 4.120 0.000 0.000 0.303 318 V C -0.496 175.657 176.094 0.098 0.000 1.042 318 V CA -0.802 61.556 62.300 0.097 0.000 0.872 318 V CB 1.798 33.777 31.823 0.259 0.000 0.998 318 V HN 0.793 nan 8.190 nan 0.000 0.423 319 N N 3.238 122.005 118.700 0.111 0.000 2.472 319 N HA 0.544 5.284 4.740 0.000 0.000 0.277 319 N C -0.975 174.652 175.510 0.196 0.000 1.081 319 N CA -0.017 53.097 53.050 0.107 0.000 0.973 319 N CB 1.602 40.132 38.487 0.073 0.000 1.105 319 N HN 0.423 nan 8.380 nan 0.000 0.470 320 V N 4.017 124.054 119.914 0.206 0.000 2.531 320 V HA 0.302 4.422 4.120 0.000 0.000 0.301 320 V C -1.107 175.147 176.094 0.266 0.000 1.034 320 V CA -0.870 61.621 62.300 0.318 0.000 0.865 320 V CB 1.098 33.114 31.823 0.321 0.000 0.995 320 V HN 0.603 nan 8.190 nan 0.000 0.424 321 Y N 2.839 123.248 120.300 0.181 0.000 2.331 321 Y HA 0.755 5.305 4.550 0.000 0.000 0.338 321 Y C 0.399 176.401 175.900 0.170 0.000 0.992 321 Y CA -0.610 57.564 58.100 0.122 0.000 1.121 321 Y CB 1.937 40.469 38.460 0.119 0.000 1.184 321 Y HN 0.693 nan 8.280 nan 0.000 0.469 322 G N 7.158 115.710 108.800 -0.414 0.000 3.594 322 G HA2 0.264 4.224 3.960 0.000 0.000 0.295 322 G HA3 0.264 4.224 3.960 0.000 0.000 0.295 322 G C -3.242 171.481 174.900 -0.295 0.000 1.576 322 G CA -1.101 43.841 45.100 -0.263 0.000 0.661 322 G HN 0.453 nan 8.290 nan 0.000 0.452 323 P HA 0.140 nan 4.420 nan 0.000 0.266 323 P C 1.399 178.627 177.300 -0.119 0.000 1.195 323 P CA 0.051 63.037 63.100 -0.191 0.000 0.768 323 P CB 1.007 32.633 31.700 -0.123 0.000 0.838 324 T N 1.391 115.916 114.554 -0.048 0.000 2.721 324 T HA -0.205 4.145 4.350 0.000 0.000 0.268 324 T C 1.182 175.842 174.700 -0.067 0.000 1.038 324 T CA 1.754 63.854 62.100 -0.001 0.000 1.145 324 T CB -0.440 68.476 68.868 0.080 0.000 0.858 324 T HN 0.528 nan 8.240 nan 0.000 0.459 325 E N 0.352 120.426 120.200 -0.210 0.000 2.409 325 E HA 0.004 4.354 4.350 0.000 0.000 0.198 325 E C 0.860 177.248 176.600 -0.354 0.000 1.024 325 E CA 0.332 56.491 56.400 -0.403 0.000 0.861 325 E CB 0.090 29.027 29.700 -1.270 0.000 0.788 325 E HN 0.298 nan 8.360 nan 0.000 0.521 326 V N 0.572 120.357 119.914 -0.216 0.000 2.804 326 V HA 0.118 4.238 4.120 0.000 0.000 0.360 326 V C -0.239 175.880 176.094 0.043 0.000 1.282 326 V CA -0.244 62.025 62.300 -0.052 0.000 1.274 326 V CB -0.252 31.583 31.823 0.021 0.000 1.415 326 V HN 0.099 nan 8.190 nan 0.000 0.610 327 T N 1.852 116.416 114.554 0.017 0.000 3.429 327 T HA -0.243 4.107 4.350 0.000 0.000 0.417 327 T C 0.969 175.700 174.700 0.051 0.000 0.767 327 T CA 1.106 63.233 62.100 0.044 0.000 2.141 327 T CB -1.389 67.532 68.868 0.088 0.000 1.699 327 T HN 0.686 nan 8.240 nan 0.000 0.685 328 I N -2.960 117.600 120.570 -0.017 0.000 4.538 328 I HA -0.261 3.909 4.170 0.000 0.000 0.053 328 I C 0.946 177.127 176.117 0.107 0.000 0.613 328 I CA 1.757 63.012 61.300 -0.076 0.000 0.944 328 I CB -1.413 36.291 38.000 -0.493 0.000 0.852 328 I HN 0.891 nan 8.210 nan 0.000 0.162 329 G N -0.213 108.819 108.800 0.387 0.000 2.513 329 G HA2 0.502 4.463 3.960 0.000 0.000 0.282 329 G HA3 0.502 4.463 3.960 0.000 0.000 0.282 329 G C -0.282 175.032 174.900 0.691 0.000 1.397 329 G CA 0.145 45.572 45.100 0.545 0.000 1.291 329 G HN 0.711 nan 8.290 nan 0.000 0.596 330 C N 0.132 119.698 119.300 0.444 0.000 3.183 330 C HA 0.734 5.195 4.460 0.000 0.000 0.285 330 C C 0.735 175.907 174.990 0.304 0.000 1.313 330 C CA -0.241 58.994 59.018 0.361 0.000 1.711 330 C CB -0.444 27.467 27.740 0.286 0.000 2.135 330 C HN 0.692 nan 8.230 nan 0.000 0.651 331 S N 0.118 116.038 115.700 0.367 0.000 2.536 331 S HA 0.806 5.276 4.470 0.000 0.000 0.271 331 S C -0.961 173.797 174.600 0.264 0.000 1.134 331 S CA 0.588 58.942 58.200 0.257 0.000 0.897 331 S CB 1.530 64.885 63.200 0.259 0.000 1.094 331 S HN 1.454 nan 8.310 nan 0.000 0.473 332 A N 1.977 124.881 122.820 0.139 0.000 2.612 332 A HA 0.942 5.262 4.320 0.000 0.000 0.293 332 A C -0.335 177.315 177.584 0.109 0.000 1.075 332 A CA -0.236 51.903 52.037 0.169 0.000 0.680 332 A CB 1.213 20.323 19.000 0.183 0.000 1.279 332 A HN 1.489 nan 8.150 nan 0.000 0.411 333 G N 0.035 108.910 108.800 0.126 0.000 2.720 333 G HA2 0.567 4.527 3.960 0.000 0.000 0.295 333 G HA3 0.567 4.527 3.960 0.000 0.000 0.295 333 G C -0.952 174.015 174.900 0.111 0.000 1.437 333 G CA -0.811 44.355 45.100 0.110 0.000 0.886 333 G HN 0.832 nan 8.290 nan 0.000 0.509 334 R N 0.590 121.154 120.500 0.105 0.000 2.537 334 R HA 0.282 4.622 4.340 0.000 0.000 0.280 334 R C -0.239 176.103 176.300 0.070 0.000 1.058 334 R CA -0.242 55.913 56.100 0.092 0.000 1.057 334 R CB 0.316 30.667 30.300 0.085 0.000 0.973 334 R HN 0.253 nan 8.270 nan 0.000 0.438 335 I N 6.622 127.228 120.570 0.059 0.000 2.339 335 I HA 0.246 4.416 4.170 0.000 0.000 0.290 335 I C 0.090 176.234 176.117 0.046 0.000 0.994 335 I CA -0.383 60.945 61.300 0.048 0.000 1.191 335 I CB 1.159 39.184 38.000 0.042 0.000 1.343 335 I HN 0.608 nan 8.210 nan 0.000 0.458 336 L N 7.423 128.670 121.223 0.040 0.000 2.298 336 L HA 0.483 4.823 4.340 0.000 0.000 0.268 336 L C -1.526 175.361 176.870 0.029 0.000 1.010 336 L CA -1.604 53.256 54.840 0.033 0.000 0.812 336 L CB 1.161 43.238 42.059 0.030 0.000 1.331 336 L HN 0.222 nan 8.230 nan 0.000 0.450 337 P HA -0.148 nan 4.420 nan 0.000 0.219 337 P C 0.394 177.703 177.300 0.017 0.000 1.146 337 P CA 1.166 64.276 63.100 0.017 0.000 0.808 337 P CB 0.059 31.763 31.700 0.008 0.000 0.779 338 D N -2.363 118.047 120.400 0.017 0.000 2.349 338 D HA 0.039 4.679 4.640 0.000 0.000 0.214 338 D C 0.043 176.355 176.300 0.019 0.000 1.063 338 D CA 0.093 54.102 54.000 0.016 0.000 0.847 338 D CB -0.358 40.450 40.800 0.013 0.000 0.933 338 D HN -0.045 nan 8.370 nan 0.000 0.513 339 S N 1.127 116.840 115.700 0.023 0.000 2.562 339 S HA 0.008 4.478 4.470 0.000 0.000 0.281 339 S C 0.047 174.660 174.600 0.022 0.000 1.333 339 S CA -0.341 57.873 58.200 0.024 0.000 1.052 339 S CB 1.144 64.361 63.200 0.029 0.000 0.884 339 S HN 0.239 nan 8.310 nan 0.000 0.506 340 D N 1.455 121.868 120.400 0.020 0.000 2.390 340 D HA 0.044 4.684 4.640 0.000 0.000 0.249 340 D C 1.290 177.606 176.300 0.027 0.000 1.144 340 D CA 0.002 54.015 54.000 0.022 0.000 0.880 340 D CB 1.064 41.875 40.800 0.019 0.000 1.182 340 D HN 0.597 nan 8.370 nan 0.000 0.451 341 T N 1.462 116.034 114.554 0.029 0.000 3.118 341 T HA 0.006 4.357 4.350 0.000 0.000 0.260 341 T C 1.535 176.257 174.700 0.037 0.000 1.139 341 T CA 0.441 62.558 62.100 0.029 0.000 1.085 341 T CB 0.046 68.928 68.868 0.024 0.000 0.934 341 T HN 0.378 nan 8.240 nan 0.000 0.518 342 R N -0.142 120.390 120.500 0.053 0.000 2.299 342 R HA 0.257 4.597 4.340 0.000 0.000 0.197 342 R C 0.953 177.301 176.300 0.079 0.000 0.971 342 R CA -0.179 55.975 56.100 0.091 0.000 1.030 342 R CB -0.452 29.920 30.300 0.120 0.000 0.932 342 R HN 0.378 nan 8.270 nan 0.000 0.477 343 C N 2.356 121.681 119.300 0.041 0.000 2.651 343 C HA 0.140 4.601 4.460 0.000 0.000 0.410 343 C C 1.708 176.710 174.990 0.021 0.000 1.372 343 C CA -0.599 58.428 59.018 0.017 0.000 1.707 343 C CB -0.839 26.902 27.740 0.000 0.000 2.501 343 C HN 0.586 nan 8.230 nan 0.000 0.598 344 I N 4.852 125.425 120.570 0.005 0.000 3.941 344 I HA 0.465 4.635 4.170 0.000 0.000 0.335 344 I C 1.033 177.160 176.117 0.017 0.000 1.402 344 I CA 0.376 61.697 61.300 0.035 0.000 1.112 344 I CB -0.787 37.227 38.000 0.025 0.000 1.043 344 I HN 0.924 nan 8.210 nan 0.000 0.395 345 G N 1.904 110.667 108.800 -0.060 0.000 2.498 345 G HA2 -0.243 3.717 3.960 0.000 0.000 0.245 345 G HA3 -0.243 3.717 3.960 0.000 0.000 0.245 345 G C -0.627 174.098 174.900 -0.291 0.000 1.204 345 G CA 0.089 45.117 45.100 -0.119 0.000 0.933 345 G HN 0.650 nan 8.290 nan 0.000 0.574 346 H N 1.253 120.332 119.070 0.015 0.000 2.621 346 H HA 0.599 5.155 4.556 0.000 0.000 0.360 346 H C -2.251 173.078 175.328 0.001 0.000 1.163 346 H CA -1.264 54.784 56.048 0.001 0.000 1.194 346 H CB 1.809 31.562 29.762 -0.015 0.000 1.649 346 H HN 0.457 nan 8.280 nan 0.000 0.532 347 P HA 0.013 nan 4.420 nan 0.000 0.269 347 P C -0.562 176.759 177.300 0.034 0.000 1.209 347 P CA 0.052 63.207 63.100 0.091 0.000 0.776 347 P CB 0.678 32.425 31.700 0.079 0.000 0.876 348 L N 1.842 123.065 121.223 -0.000 0.000 2.357 348 L HA 0.504 4.844 4.340 0.000 0.000 0.273 348 L C 1.578 178.416 176.870 -0.053 0.000 1.080 348 L CA 0.119 54.892 54.840 -0.111 0.000 0.803 348 L CB 0.353 42.263 42.059 -0.248 0.000 1.174 348 L HN 0.689 nan 8.230 nan 0.000 0.443 349 G N 2.461 111.210 108.800 -0.085 0.000 2.611 349 G HA2 -0.410 3.551 3.960 0.000 0.000 0.301 349 G HA3 -0.410 3.551 3.960 0.000 0.000 0.301 349 G C 0.386 175.286 174.900 -0.001 0.000 1.233 349 G CA 0.606 45.683 45.100 -0.039 0.000 0.993 349 G HN 0.948 nan 8.290 nan 0.000 0.553 350 D N 0.798 121.215 120.400 0.029 0.000 2.325 350 D HA 0.328 4.969 4.640 0.000 0.000 0.225 350 D C 1.143 177.479 176.300 0.060 0.000 1.096 350 D CA 0.786 54.812 54.000 0.044 0.000 0.844 350 D CB -0.197 40.641 40.800 0.062 0.000 0.925 350 D HN 0.451 nan 8.370 nan 0.000 0.513 351 S N -0.429 115.309 115.700 0.065 0.000 2.572 351 S HA 0.311 4.781 4.470 0.000 0.000 0.279 351 S C 0.016 174.653 174.600 0.063 0.000 1.341 351 S CA -0.570 57.682 58.200 0.087 0.000 1.043 351 S CB 1.638 64.903 63.200 0.108 0.000 0.887 351 S HN 0.118 nan 8.310 nan 0.000 0.516 352 V N 1.952 121.904 119.914 0.064 0.000 2.531 352 V HA 0.649 4.769 4.120 0.000 0.000 0.301 352 V C 0.087 176.144 176.094 -0.061 0.000 1.034 352 V CA -0.818 61.468 62.300 -0.023 0.000 0.865 352 V CB 1.495 33.291 31.823 -0.045 0.000 0.995 352 V HN 0.996 nan 8.190 nan 0.000 0.424 353 A N 4.714 127.473 122.820 -0.103 0.000 2.301 353 A HA 0.764 5.084 4.320 0.000 0.000 0.312 353 A C -0.365 177.086 177.584 -0.221 0.000 1.182 353 A CA -0.396 51.604 52.037 -0.062 0.000 0.826 353 A CB 0.356 19.353 19.000 -0.005 0.000 1.134 353 A HN 0.911 nan 8.150 nan 0.000 0.501 354 H N 0.828 119.910 119.070 0.020 0.000 2.622 354 H HA 0.522 5.078 4.556 0.000 0.000 0.363 354 H C -1.208 174.065 175.328 -0.092 0.000 1.151 354 H CA -0.619 55.405 56.048 -0.040 0.000 1.184 354 H CB 2.011 31.682 29.762 -0.152 0.000 1.643 354 H HN 0.375 nan 8.280 nan 0.000 0.531 355 V N 4.467 124.384 119.914 0.005 0.000 2.378 355 V HA 0.313 4.434 4.120 0.000 0.000 0.288 355 V C 0.078 176.114 176.094 -0.097 0.000 1.016 355 V CA -0.573 61.703 62.300 -0.040 0.000 0.840 355 V CB 1.264 33.073 31.823 -0.023 0.000 0.994 355 V HN 0.441 nan 8.190 nan 0.000 0.431 356 L N 3.090 124.243 121.223 -0.117 0.000 2.319 356 L HA 0.815 5.155 4.340 0.000 0.000 0.267 356 L C 0.717 177.540 176.870 -0.078 0.000 1.011 356 L CA -0.985 53.772 54.840 -0.137 0.000 0.818 356 L CB 1.905 43.859 42.059 -0.175 0.000 1.316 356 L HN 0.696 nan 8.230 nan 0.000 0.432 357 A N 2.068 124.855 122.820 -0.055 0.000 2.546 357 A HA 0.202 4.522 4.320 0.000 0.000 0.243 357 A C -1.625 175.929 177.584 -0.049 0.000 1.063 357 A CA -0.759 51.254 52.037 -0.040 0.000 0.757 357 A CB -0.275 18.711 19.000 -0.024 0.000 0.991 357 A HN 0.622 nan 8.150 nan 0.000 0.503 358 P HA -0.172 nan 4.420 nan 0.000 0.217 358 P C 1.322 178.596 177.300 -0.043 0.000 1.148 358 P CA 2.129 65.200 63.100 -0.050 0.000 0.834 358 P CB 0.186 31.859 31.700 -0.044 0.000 0.783 359 G N -2.164 106.615 108.800 -0.034 0.000 3.088 359 G HA2 0.177 4.137 3.960 0.000 0.000 0.217 359 G HA3 0.177 4.137 3.960 0.000 0.000 0.217 359 G C 0.436 175.321 174.900 -0.026 0.000 1.159 359 G CA 0.516 45.600 45.100 -0.027 0.000 0.760 359 G HN 0.475 nan 8.290 nan 0.000 0.550 360 S N -0.939 114.742 115.700 -0.031 0.000 2.911 360 S HA 0.405 4.875 4.470 0.000 0.000 0.319 360 S C 0.031 174.607 174.600 -0.041 0.000 1.154 360 S CA -0.752 57.432 58.200 -0.027 0.000 0.857 360 S CB 1.206 64.397 63.200 -0.015 0.000 1.279 360 S HN -0.106 nan 8.310 nan 0.000 0.593 361 N N 0.990 119.671 118.700 -0.031 0.000 2.214 361 N HA 0.243 4.984 4.740 0.000 0.000 0.214 361 N C -0.905 174.594 175.510 -0.018 0.000 1.132 361 N CA 0.010 53.032 53.050 -0.047 0.000 0.856 361 N CB 0.125 38.594 38.487 -0.030 0.000 1.020 361 N HN 0.514 nan 8.380 nan 0.000 0.509 362 E N 0.870 121.072 120.200 0.003 0.000 2.259 362 E HA 0.076 4.426 4.350 0.000 0.000 0.281 362 E C -0.134 176.500 176.600 0.057 0.000 1.037 362 E CA -0.203 56.235 56.400 0.064 0.000 0.854 362 E CB 0.501 30.227 29.700 0.043 0.000 1.051 362 E HN 0.249 nan 8.360 nan 0.000 0.409 363 H N 0.027 119.105 119.070 0.014 0.000 2.815 363 H HA 0.086 4.642 4.556 0.000 0.000 0.350 363 H C 0.437 175.776 175.328 0.018 0.000 1.080 363 H CA -0.177 55.890 56.048 0.031 0.000 1.433 363 H CB 0.497 30.291 29.762 0.054 0.000 1.432 363 H HN 0.251 nan 8.280 nan 0.000 0.592 364 V N 0.231 120.205 119.914 0.099 0.000 2.904 364 V HA 0.306 4.426 4.120 0.000 0.000 0.305 364 V C 0.310 176.447 176.094 0.070 0.000 1.067 364 V CA -1.268 61.068 62.300 0.060 0.000 1.044 364 V CB 1.042 32.877 31.823 0.019 0.000 1.050 364 V HN 0.638 nan 8.190 nan 0.000 0.475 365 K N 1.685 122.111 120.400 0.044 0.000 2.448 365 K HA 0.114 4.434 4.320 0.000 0.000 0.278 365 K C 0.148 176.766 176.600 0.030 0.000 1.009 365 K CA 0.051 56.359 56.287 0.036 0.000 0.995 365 K CB 0.374 32.886 32.500 0.021 0.000 0.917 365 K HN 0.764 nan 8.250 nan 0.000 0.481 366 K N 1.733 122.152 120.400 0.032 0.000 2.511 366 K HA 0.023 4.344 4.320 0.000 0.000 0.280 366 K C 0.292 176.899 176.600 0.012 0.000 1.008 366 K CA 1.064 57.366 56.287 0.024 0.000 1.050 366 K CB 0.093 32.608 32.500 0.024 0.000 0.889 366 K HN 0.787 nan 8.250 nan 0.000 0.484 370 G N -0.270 108.486 108.800 -0.072 0.000 2.488 370 G HA2 0.542 4.502 3.960 0.000 0.000 0.301 370 G HA3 0.542 4.502 3.960 0.000 0.000 0.301 370 G C -1.329 173.519 174.900 -0.086 0.000 1.339 370 G CA -0.086 44.972 45.100 -0.069 0.000 0.803 370 G HN 0.960 nan 8.290 nan 0.000 0.482 371 E N -0.170 119.982 120.200 -0.079 0.000 2.259 371 E HA 0.375 4.725 4.350 0.000 0.000 0.281 371 E C -0.468 176.092 176.600 -0.068 0.000 1.037 371 E CA -0.682 55.669 56.400 -0.081 0.000 0.854 371 E CB 1.049 30.702 29.700 -0.079 0.000 1.051 371 E HN 0.389 nan 8.360 nan 0.000 0.409 372 L N 5.738 126.928 121.223 -0.055 0.000 2.410 372 L HA 0.179 4.519 4.340 0.000 0.000 0.273 372 L C -1.254 175.623 176.870 0.012 0.000 1.144 372 L CA 0.159 54.989 54.840 -0.016 0.000 0.863 372 L CB 1.004 43.053 42.059 -0.016 0.000 1.140 372 L HN 0.336 nan 8.230 nan 0.000 0.463 373 V N 6.793 126.731 119.914 0.039 0.000 2.483 373 V HA 0.460 4.581 4.120 0.000 0.000 0.297 373 V C -0.160 176.030 176.094 0.159 0.000 1.027 373 V CA -0.708 61.619 62.300 0.046 0.000 0.855 373 V CB 1.684 33.493 31.823 -0.022 0.000 0.995 373 V HN 0.521 nan 8.190 nan 0.000 0.424 374 I N 3.823 124.505 120.570 0.187 0.000 2.392 374 I HA 0.562 4.732 4.170 0.000 0.000 0.295 374 I C 0.135 176.390 176.117 0.229 0.000 0.985 374 I CA -0.307 61.131 61.300 0.229 0.000 1.221 374 I CB 1.693 39.843 38.000 0.250 0.000 1.366 374 I HN 0.760 nan 8.210 nan 0.000 0.467 375 E N 3.142 123.488 120.200 0.243 0.000 2.277 375 E HA 0.672 5.022 4.350 0.000 0.000 0.266 375 E C -0.360 176.346 176.600 0.176 0.000 0.901 375 E CA -0.450 56.081 56.400 0.218 0.000 0.782 375 E CB 2.643 32.520 29.700 0.294 0.000 1.228 375 E HN 0.864 nan 8.360 nan 0.000 0.424 376 G N 1.081 109.976 108.800 0.158 0.000 2.316 376 G HA2 -0.175 3.785 3.960 0.000 0.000 0.349 376 G HA3 -0.175 3.785 3.960 0.000 0.000 0.349 376 G C 0.164 175.157 174.900 0.155 0.000 1.274 376 G CA -0.119 45.066 45.100 0.143 0.000 1.018 376 G HN 0.396 nan 8.290 nan 0.000 0.486 377 S N -0.251 115.548 115.700 0.165 0.000 2.555 377 S HA 0.084 4.554 4.470 0.000 0.000 0.230 377 S C 2.068 176.769 174.600 0.170 0.000 0.978 377 S CA 1.133 59.461 58.200 0.214 0.000 0.934 377 S CB -0.255 63.065 63.200 0.200 0.000 0.766 377 S HN 0.426 nan 8.310 nan 0.000 0.533 378 L N 0.888 122.202 121.223 0.153 0.000 2.607 378 L HA 0.201 4.541 4.340 0.000 0.000 0.228 378 L C -0.000 176.944 176.870 0.124 0.000 1.123 378 L CA -0.054 54.876 54.840 0.150 0.000 0.890 378 L CB 0.103 42.276 42.059 0.191 0.000 1.103 378 L HN 0.061 nan 8.230 nan 0.000 0.468 379 V N 1.469 121.465 119.914 0.137 0.000 2.479 379 V HA 0.215 4.335 4.120 0.000 0.000 0.281 379 V C 0.991 177.165 176.094 0.133 0.000 1.031 379 V CA -0.412 61.975 62.300 0.145 0.000 1.038 379 V CB 0.664 32.602 31.823 0.191 0.000 0.981 379 V HN 0.269 nan 8.190 nan 0.000 0.478 380 A N 4.904 127.807 122.820 0.139 0.000 2.346 380 A HA 0.210 4.531 4.320 0.000 0.000 0.255 380 A C 1.343 178.850 177.584 -0.129 0.000 1.113 380 A CA -0.177 51.860 52.037 0.001 0.000 0.798 380 A CB -0.015 18.957 19.000 -0.045 0.000 1.073 380 A HN 0.810 nan 8.150 nan 0.000 0.502 381 N N -0.212 118.319 118.700 -0.282 0.000 2.188 381 N HA 0.184 4.924 4.740 0.000 0.000 0.184 381 N C 0.836 175.942 175.510 -0.672 0.000 1.018 381 N CA 1.576 54.420 53.050 -0.344 0.000 0.858 381 N CB -0.129 38.202 38.487 -0.260 0.000 0.989 381 N HN 1.113 nan 8.380 nan 0.000 0.426 382 G N -1.709 106.445 108.800 -1.077 0.000 2.362 382 G HA2 0.085 4.046 3.960 0.000 0.000 0.288 382 G HA3 0.085 4.046 3.960 0.000 0.000 0.288 382 G C -1.812 172.509 174.900 -0.964 0.000 1.305 382 G CA -0.908 43.135 45.100 -1.762 0.000 0.910 382 G HN -0.030 nan 8.290 nan 0.000 0.518 383 Y N -0.666 119.389 120.300 -0.408 0.000 2.307 383 Y HA 0.591 5.141 4.550 0.000 0.000 0.324 383 Y C 0.836 176.651 175.900 -0.142 0.000 1.238 383 Y CA -0.655 57.365 58.100 -0.133 0.000 1.280 383 Y CB 1.403 39.892 38.460 0.047 0.000 1.248 383 Y HN 0.514 nan 8.280 nan 0.000 0.508 384 L N 4.694 125.947 121.223 0.049 0.000 2.325 384 L HA 0.295 4.635 4.340 0.000 0.000 0.284 384 L C -0.113 176.782 176.870 0.042 0.000 1.089 384 L CA -0.251 54.587 54.840 -0.004 0.000 0.836 384 L CB -0.560 41.468 42.059 -0.051 0.000 1.184 384 L HN 0.693 nan 8.230 nan 0.000 0.444 385 N N 4.447 123.169 118.700 0.036 0.000 2.714 385 N HA -0.199 4.542 4.740 0.000 0.000 0.253 385 N C -0.689 174.861 175.510 0.067 0.000 1.024 385 N CA 0.583 53.660 53.050 0.044 0.000 0.726 385 N CB -0.667 37.840 38.487 0.033 0.000 0.908 385 N HN 0.585 nan 8.380 nan 0.000 0.542 386 R N -0.180 120.372 120.500 0.088 0.000 2.653 386 R HA 0.203 4.543 4.340 0.000 0.000 0.269 386 R C -1.604 174.757 176.300 0.102 0.000 1.603 386 R CA -1.066 55.082 56.100 0.080 0.000 1.671 386 R CB 0.893 31.217 30.300 0.041 0.000 1.300 386 R HN 0.103 nan 8.270 nan 0.000 0.668 387 P HA -0.101 nan 4.420 nan 0.000 0.219 387 P C 0.278 177.630 177.300 0.087 0.000 1.146 387 P CA 1.040 64.190 63.100 0.083 0.000 0.808 387 P CB 0.479 32.212 31.700 0.056 0.000 0.779 388 D N -0.428 120.014 120.400 0.069 0.000 2.348 388 D HA 0.098 4.738 4.640 0.000 0.000 0.211 388 D C 0.872 177.215 176.300 0.071 0.000 0.998 388 D CA 0.264 54.301 54.000 0.061 0.000 0.873 388 D CB -0.182 40.642 40.800 0.039 0.000 0.925 388 D HN 0.115 nan 8.370 nan 0.000 0.524 389 A N 1.387 124.257 122.820 0.082 0.000 2.404 389 A HA 0.226 4.546 4.320 0.000 0.000 0.273 389 A C 0.583 178.316 177.584 0.248 0.000 1.144 389 A CA -0.187 51.895 52.037 0.075 0.000 0.806 389 A CB 0.400 19.318 19.000 -0.137 0.000 1.080 389 A HN -0.091 nan 8.150 nan 0.000 0.509 390 K N 1.038 121.562 120.400 0.206 0.000 2.132 390 K HA 0.730 5.050 4.320 0.000 0.000 0.241 390 K C 0.942 177.695 176.600 0.256 0.000 1.000 390 K CA -0.055 56.359 56.287 0.213 0.000 0.911 390 K CB 1.233 33.791 32.500 0.097 0.000 1.093 390 K HN 1.019 nan 8.250 nan 0.000 0.460 391 G N 0.395 109.258 108.800 0.105 0.000 3.465 391 G HA2 -0.158 3.803 3.960 0.000 0.000 0.196 391 G HA3 -0.158 3.803 3.960 0.000 0.000 0.196 391 G C -0.535 174.237 174.900 -0.213 0.000 1.170 391 G CA -0.723 44.262 45.100 -0.192 0.000 0.887 391 G HN 0.380 nan 8.290 nan 0.000 0.444 392 F N 2.579 122.624 119.950 0.158 0.000 2.412 392 F HA 0.591 5.118 4.527 0.000 0.000 0.348 392 F C 1.270 177.105 175.800 0.059 0.000 1.102 392 F CA 0.187 58.261 58.000 0.123 0.000 1.196 392 F CB 1.087 40.110 39.000 0.038 0.000 1.144 392 F HN 0.675 nan 8.300 nan 0.000 0.541 393 C N -0.131 119.292 119.300 0.205 0.000 3.259 393 C HA 0.578 5.038 4.460 0.000 0.000 0.344 393 C C -1.626 173.416 174.990 0.088 0.000 1.401 393 C CA -1.352 57.737 59.018 0.118 0.000 1.219 393 C CB 1.270 29.045 27.740 0.058 0.000 1.521 393 C HN 0.715 nan 8.230 nan 0.000 0.455 394 D N 0.556 120.990 120.400 0.056 0.000 2.233 394 D HA 0.720 5.360 4.640 0.000 0.000 0.240 394 D C -0.680 175.629 176.300 0.014 0.000 1.074 394 D CA 0.098 54.121 54.000 0.038 0.000 0.838 394 D CB 1.134 41.955 40.800 0.034 0.000 1.124 394 D HN 0.583 nan 8.370 nan 0.000 0.475 395 I N 2.823 123.392 120.570 -0.001 0.000 2.447 395 I HA 0.200 4.371 4.170 0.000 0.000 0.287 395 I C -0.420 175.685 176.117 -0.019 0.000 1.023 395 I CA -0.820 60.464 61.300 -0.027 0.000 1.083 395 I CB 1.393 39.348 38.000 -0.075 0.000 1.245 395 I HN 0.323 nan 8.210 nan 0.000 0.434 396 N N 4.779 123.475 118.700 -0.006 0.000 2.727 396 N HA -0.199 4.542 4.740 0.000 0.000 0.249 396 N C 0.920 176.438 175.510 0.012 0.000 1.048 396 N CA 1.253 54.307 53.050 0.006 0.000 0.714 396 N CB -1.281 37.212 38.487 0.010 0.000 0.959 396 N HN 1.154 nan 8.380 nan 0.000 0.544 397 G N -0.881 107.927 108.800 0.013 0.000 2.233 397 G HA2 -0.379 3.582 3.960 0.000 0.000 0.270 397 G HA3 -0.379 3.582 3.960 0.000 0.000 0.270 397 G C 0.071 174.986 174.900 0.024 0.000 1.011 397 G CA 0.895 46.006 45.100 0.018 0.000 0.762 397 G HN 0.687 nan 8.290 nan 0.000 0.511 398 R N -0.593 119.923 120.500 0.027 0.000 2.740 398 R HA 0.586 4.926 4.340 0.000 0.000 0.282 398 R C 0.409 176.740 176.300 0.052 0.000 0.969 398 R CA -0.922 55.203 56.100 0.042 0.000 0.918 398 R CB 1.825 32.157 30.300 0.054 0.000 1.175 398 R HN 0.219 nan 8.270 nan 0.000 0.464 402 R N 3.511 123.559 120.500 -0.754 0.000 2.202 402 R HA 0.282 4.622 4.340 0.000 0.000 0.334 402 R C 0.882 176.695 176.300 -0.813 0.000 1.036 402 R CA 0.329 56.104 56.100 -0.542 0.000 0.878 402 R CB 1.172 31.272 30.300 -0.334 0.000 1.067 402 R HN 0.863 nan 8.270 nan 0.000 0.457 403 T N -0.721 113.611 114.554 -0.370 0.000 3.023 403 T HA 0.033 4.383 4.350 0.000 0.000 0.266 403 T C 1.497 176.182 174.700 -0.024 0.000 1.093 403 T CA 0.667 62.703 62.100 -0.107 0.000 1.129 403 T CB 0.140 69.157 68.868 0.249 0.000 0.899 403 T HN 0.807 nan 8.240 nan 0.000 0.491 404 G N 1.260 110.019 108.800 -0.068 0.000 2.162 404 G HA2 -0.192 3.768 3.960 0.000 0.000 0.260 404 G HA3 -0.192 3.768 3.960 0.000 0.000 0.260 404 G C -0.420 174.498 174.900 0.030 0.000 0.976 404 G CA 0.181 45.274 45.100 -0.012 0.000 0.655 404 G HN 0.613 nan 8.290 nan 0.000 0.533 405 D N 0.307 120.739 120.400 0.052 0.000 2.163 405 D HA 0.568 5.208 4.640 0.000 0.000 0.248 405 D C 0.482 176.693 176.300 -0.148 0.000 1.035 405 D CA -0.401 53.606 54.000 0.012 0.000 0.872 405 D CB 1.288 42.237 40.800 0.249 0.000 1.183 405 D HN 0.031 nan 8.370 nan 0.000 0.445 406 I N 2.355 122.741 120.570 -0.306 0.000 2.336 406 I HA 0.303 4.473 4.170 0.000 0.000 0.292 406 I C 0.597 176.480 176.117 -0.390 0.000 0.991 406 I CA -0.730 60.403 61.300 -0.279 0.000 1.227 406 I CB 0.854 38.716 38.000 -0.229 0.000 1.366 406 I HN 0.147 nan 8.210 nan 0.000 0.466 407 V N 4.956 124.721 119.914 -0.249 0.000 3.165 407 V HA 0.849 4.969 4.120 0.000 0.000 0.309 407 V C -0.625 175.392 176.094 -0.130 0.000 1.267 407 V CA -0.922 61.250 62.300 -0.213 0.000 1.067 407 V CB 2.611 34.331 31.823 -0.172 0.000 1.082 407 V HN 0.945 nan 8.190 nan 0.000 0.451 411 A N 0.407 123.232 122.820 0.008 0.000 1.933 411 A HA -0.156 4.164 4.320 0.000 0.000 0.218 411 A C 1.164 178.765 177.584 0.030 0.000 1.175 411 A CA 2.338 54.385 52.037 0.016 0.000 0.628 411 A CB -0.361 18.648 19.000 0.015 0.000 0.814 411 A HN 0.550 nan 8.150 nan 0.000 0.444 412 D N -1.692 118.733 120.400 0.041 0.000 2.328 412 D HA 0.114 4.754 4.640 0.000 0.000 0.226 412 D C 0.496 176.877 176.300 0.135 0.000 1.066 412 D CA 0.874 54.921 54.000 0.078 0.000 0.861 412 D CB -0.325 40.531 40.800 0.093 0.000 0.912 412 D HN 0.240 nan 8.370 nan 0.000 0.521 413 S N -1.482 114.265 115.700 0.078 0.000 2.857 413 S HA -0.205 4.266 4.470 0.000 0.000 0.268 413 S C 0.589 175.178 174.600 -0.018 0.000 1.297 413 S CA 0.746 58.995 58.200 0.081 0.000 1.280 413 S CB -2.265 61.022 63.200 0.144 0.000 1.562 413 S HN 0.780 nan 8.310 nan 0.000 0.661 414 S N 0.859 116.453 115.700 -0.177 0.000 2.600 414 S HA 0.690 5.160 4.470 0.000 0.000 0.265 414 S C -0.002 174.465 174.600 -0.222 0.000 1.325 414 S CA -0.610 57.281 58.200 -0.515 0.000 1.002 414 S CB 0.735 63.639 63.200 -0.494 0.000 0.921 414 S HN 0.386 nan 8.310 nan 0.000 0.554 415 I N 1.060 121.510 120.570 -0.200 0.000 2.404 415 I HA 0.352 4.522 4.170 0.000 0.000 0.293 415 I C -0.686 175.384 176.117 -0.079 0.000 0.992 415 I CA -0.651 60.579 61.300 -0.118 0.000 1.149 415 I CB 1.477 39.405 38.000 -0.119 0.000 1.315 415 I HN 0.499 nan 8.210 nan 0.000 0.446 416 L N 5.985 127.177 121.223 -0.053 0.000 2.282 416 L HA 0.386 4.726 4.340 0.000 0.000 0.288 416 L C -0.511 176.361 176.870 0.003 0.000 1.033 416 L CA -0.531 54.303 54.840 -0.009 0.000 0.807 416 L CB 1.076 43.126 42.059 -0.015 0.000 1.209 416 L HN 0.452 nan 8.230 nan 0.000 0.423 417 F N 4.008 123.907 119.950 -0.085 0.000 2.445 417 F HA 0.251 4.778 4.527 0.000 0.000 0.359 417 F C 0.576 176.353 175.800 -0.039 0.000 1.101 417 F CA -0.106 57.846 58.000 -0.079 0.000 1.177 417 F CB 0.560 39.522 39.000 -0.064 0.000 1.110 417 F HN 0.388 nan 8.300 nan 0.000 0.522 418 L N 4.947 125.820 121.223 -0.583 0.000 2.425 418 L HA 0.484 4.825 4.340 0.000 0.000 0.215 418 L C 1.125 177.767 176.870 -0.380 0.000 1.065 418 L CA 0.442 55.083 54.840 -0.332 0.000 0.842 418 L CB -0.346 41.571 42.059 -0.237 0.000 1.033 418 L HN 0.827 nan 8.230 nan 0.000 0.474 419 G N -0.564 107.763 108.800 -0.789 0.000 2.327 419 G HA2 0.175 4.135 3.960 0.000 0.000 0.291 419 G HA3 0.175 4.135 3.960 0.000 0.000 0.291 419 G C -1.573 173.137 174.900 -0.316 0.000 1.290 419 G CA -0.895 44.002 45.100 -0.339 0.000 0.857 419 G HN -0.236 nan 8.290 nan 0.000 0.520 420 R N 0.442 120.914 120.500 -0.047 0.000 2.457 420 R HA 0.417 4.757 4.340 0.000 0.000 0.284 420 R C 0.325 176.603 176.300 -0.036 0.000 1.024 420 R CA -0.695 55.408 56.100 0.004 0.000 1.025 420 R CB 1.451 31.795 30.300 0.074 0.000 1.063 420 R HN 0.636 nan 8.270 nan 0.000 0.493 421 K N 1.157 121.539 120.400 -0.029 0.000 2.401 421 K HA 0.280 4.600 4.320 0.000 0.000 0.278 421 K C -0.221 176.371 176.600 -0.015 0.000 1.018 421 K CA 0.780 57.046 56.287 -0.034 0.000 0.981 421 K CB 0.412 32.891 32.500 -0.035 0.000 0.933 421 K HN 0.819 nan 8.250 nan 0.000 0.477 422 D N 0.000 120.389 120.400 -0.018 0.000 6.856 422 D HA 0.000 4.640 4.640 0.000 0.000 0.175 422 D CA 0.000 nan 54.000 nan 0.000 0.868 422 D CB 0.000 nan 40.800 nan 0.000 0.688 422 D HN 0.000 nan 8.370 nan 0.000 0.683