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 1kyz_1_C DATA FIRST_RESID 10 DATA SEQUENCE TPTHISDEEA NLFAMQLASA SVLPMILKSA LELDLLEIIA KAGPGAQISP DATA SEQUENCE IEIASQLPTT NPDAPVMLDR MLRLLACYII LTCSVRTQQD GKVQRLYGLA DATA SEQUENCE TVAKYLVKNE DGVSISALNL MNQDKVLMES WYHLKDAVLD GGIPFNKAYG DATA SEQUENCE MTAFEYHGTD PRFNKVFNKG MSDHSTITMK KILETYTGFE GLKSLVDVGG DATA SEQUENCE GTGAVINTIV SKYPTIKGIN FDLPHVIEDA PSYPGVEHVG GDMFVSIPKA DATA SEQUENCE DAVFMKWICH DWSDEHCLKF LKNCYEALPD NGKVIVAECI LPVAPDSSLA DATA SEQUENCE TKGVVHIDVI MLAHNPGGKE RTQKEFEDLA KGAGFQGFKV HCNAFNTYIM DATA SEQUENCE EFLKKV 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.702 174.700 0.003 0.000 1.109 10 T CA 0.000 62.195 62.100 0.159 0.000 1.349 10 T CB 0.000 69.029 68.868 0.268 0.000 0.612 11 P HA 0.222 nan 4.420 nan 0.000 0.271 11 P C 1.062 178.275 177.300 -0.145 0.000 1.218 11 P CA -0.313 62.708 63.100 -0.133 0.000 0.780 11 P CB 0.816 32.421 31.700 -0.158 0.000 0.901 12 T N -1.844 112.653 114.554 -0.094 0.000 2.995 12 T HA -0.051 4.298 4.350 -0.001 0.000 0.269 12 T C 0.880 175.561 174.700 -0.032 0.000 1.091 12 T CA 0.648 62.693 62.100 -0.092 0.000 1.128 12 T CB -0.764 68.019 68.868 -0.143 0.000 0.891 12 T HN 0.830 nan 8.240 nan 0.000 0.492 13 H N -1.281 117.701 119.070 -0.147 0.000 2.930 13 H HA 0.701 5.257 4.556 -0.001 0.000 0.371 13 H C -1.679 173.539 175.328 -0.183 0.000 1.169 13 H CA -1.844 54.123 56.048 -0.134 0.000 1.157 13 H CB 1.511 31.226 29.762 -0.078 0.000 1.789 13 H HN -0.032 nan 8.280 nan 0.000 0.547 14 I N 3.299 123.789 120.570 -0.133 0.000 2.512 14 I HA 0.122 4.292 4.170 -0.001 0.000 0.287 14 I C 0.475 176.506 176.117 -0.143 0.000 1.069 14 I CA -0.472 60.710 61.300 -0.196 0.000 1.056 14 I CB 1.895 39.774 38.000 -0.200 0.000 1.229 14 I HN 0.902 nan 8.210 nan 0.000 0.429 15 S N 3.886 119.486 115.700 -0.167 0.000 2.617 15 S HA 0.233 4.702 4.470 -0.001 0.000 0.259 15 S C 0.574 175.145 174.600 -0.048 0.000 1.301 15 S CA -0.390 57.742 58.200 -0.112 0.000 0.984 15 S CB 1.131 64.258 63.200 -0.121 0.000 0.954 15 S HN 0.535 nan 8.310 nan 0.000 0.572 16 D N 0.574 120.956 120.400 -0.030 0.000 2.277 16 D HA -0.003 4.637 4.640 -0.001 0.000 0.208 16 D C 1.814 178.113 176.300 -0.002 0.000 0.962 16 D CA 1.255 55.251 54.000 -0.006 0.000 0.865 16 D CB -0.360 40.438 40.800 -0.004 0.000 0.939 16 D HN 0.888 nan 8.370 nan 0.000 0.510 17 E N 1.275 121.466 120.200 -0.015 0.000 2.216 17 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 17 E C 1.495 178.095 176.600 -0.001 0.000 0.988 17 E CA 0.937 57.332 56.400 -0.010 0.000 0.834 17 E CB -0.461 29.228 29.700 -0.019 0.000 0.772 17 E HN 0.440 nan 8.360 nan 0.000 0.479 18 E N 0.467 120.665 120.200 -0.005 0.000 2.498 18 E HA 0.291 4.641 4.350 -0.001 0.000 0.203 18 E C 1.613 178.250 176.600 0.061 0.000 1.013 18 E CA 0.299 56.707 56.400 0.014 0.000 0.927 18 E CB 0.406 30.096 29.700 -0.017 0.000 1.012 18 E HN 0.261 nan 8.360 nan 0.000 0.482 19 A N 2.034 124.892 122.820 0.064 0.000 1.978 19 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 19 A C 2.070 179.725 177.584 0.118 0.000 1.170 19 A CA 1.838 53.947 52.037 0.120 0.000 0.636 19 A CB -0.863 18.186 19.000 0.082 0.000 0.810 19 A HN 0.397 nan 8.150 nan 0.000 0.448 20 N N -0.009 118.733 118.700 0.070 0.000 2.106 20 N HA -0.087 4.653 4.740 -0.001 0.000 0.188 20 N C 1.549 177.096 175.510 0.061 0.000 1.029 20 N CA 1.618 54.697 53.050 0.049 0.000 0.848 20 N CB -0.344 38.161 38.487 0.030 0.000 1.007 20 N HN 0.460 nan 8.380 nan 0.000 0.423 21 L N -0.789 120.482 121.223 0.080 0.000 2.141 21 L HA -0.094 4.246 4.340 -0.001 0.000 0.209 21 L C 2.105 179.071 176.870 0.160 0.000 1.094 21 L CA 0.911 55.805 54.840 0.090 0.000 0.763 21 L CB -0.568 41.535 42.059 0.072 0.000 0.908 21 L HN 0.275 nan 8.230 nan 0.000 0.437 22 F N 0.832 120.785 119.950 0.005 0.000 2.146 22 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 22 F C 2.522 178.330 175.800 0.013 0.000 1.096 22 F CA 0.981 58.988 58.000 0.012 0.000 1.275 22 F CB 0.089 39.096 39.000 0.011 0.000 1.008 22 F HN 0.025 nan 8.300 nan 0.000 0.480 23 A N 0.536 123.322 122.820 -0.056 0.000 1.933 23 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 23 A C 2.095 179.610 177.584 -0.114 0.000 1.175 23 A CA 1.636 53.572 52.037 -0.168 0.000 0.628 23 A CB -0.583 18.373 19.000 -0.073 0.000 0.814 23 A HN 0.429 nan 8.150 nan 0.000 0.444 24 M N -0.868 118.713 119.600 -0.033 0.000 2.200 24 M HA -0.123 4.357 4.480 -0.001 0.000 0.265 24 M C 2.287 178.583 176.300 -0.006 0.000 1.066 24 M CA 1.714 57.007 55.300 -0.012 0.000 1.127 24 M CB -1.311 31.299 32.600 0.017 0.000 1.379 24 M HN 0.719 nan 8.290 nan 0.000 0.420 25 Q N 0.613 120.427 119.800 0.024 0.000 2.050 25 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 25 Q C 2.063 178.056 176.000 -0.012 0.000 0.980 25 Q CA 1.409 57.252 55.803 0.066 0.000 0.840 25 Q CB -0.076 28.774 28.738 0.186 0.000 0.898 25 Q HN 0.474 nan 8.270 nan 0.000 0.424 26 L N 0.257 121.391 121.223 -0.149 0.000 2.083 26 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 26 L C 2.590 179.385 176.870 -0.125 0.000 1.083 26 L CA 0.864 55.586 54.840 -0.197 0.000 0.752 26 L CB -0.661 41.171 42.059 -0.379 0.000 0.899 26 L HN 0.308 nan 8.230 nan 0.000 0.433 27 A N -0.181 122.580 122.820 -0.099 0.000 1.978 27 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 27 A C 1.902 179.459 177.584 -0.045 0.000 1.170 27 A CA 1.993 53.990 52.037 -0.066 0.000 0.636 27 A CB -0.372 18.600 19.000 -0.047 0.000 0.810 27 A HN 0.518 nan 8.150 nan 0.000 0.448 28 S N -2.488 113.193 115.700 -0.031 0.000 2.901 28 S HA 0.589 5.058 4.470 -0.001 0.000 0.248 28 S C 0.843 175.432 174.600 -0.019 0.000 1.021 28 S CA 0.368 58.556 58.200 -0.019 0.000 1.090 28 S CB 0.252 63.452 63.200 -0.000 0.000 1.039 28 S HN 0.793 nan 8.310 nan 0.000 0.514 29 A N 2.039 124.837 122.820 -0.037 0.000 2.172 29 A HA 0.045 4.365 4.320 -0.001 0.000 0.216 29 A C 2.215 179.754 177.584 -0.075 0.000 1.154 29 A CA 1.262 53.276 52.037 -0.038 0.000 0.701 29 A CB -0.871 18.102 19.000 -0.045 0.000 0.789 29 A HN 0.970 nan 8.150 nan 0.000 0.465 30 S N -0.776 114.879 115.700 -0.075 0.000 2.481 30 S HA -0.062 4.408 4.470 -0.001 0.000 0.231 30 S C 1.597 176.155 174.600 -0.070 0.000 0.996 30 S CA 0.950 59.101 58.200 -0.082 0.000 0.942 30 S CB -0.619 62.544 63.200 -0.063 0.000 0.768 30 S HN 0.206 nan 8.310 nan 0.000 0.520 31 V N 1.715 121.594 119.914 -0.060 0.000 2.324 31 V HA -0.172 3.948 4.120 -0.001 0.000 0.250 31 V C 2.430 178.460 176.094 -0.107 0.000 1.060 31 V CA 2.009 64.276 62.300 -0.056 0.000 1.042 31 V CB -0.779 31.029 31.823 -0.024 0.000 0.650 31 V HN 0.544 nan 8.190 nan 0.000 0.450 32 L N 1.605 122.712 121.223 -0.194 0.000 1.961 32 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 32 L C 0.177 176.931 176.870 -0.194 0.000 1.072 32 L CA 2.526 57.174 54.840 -0.319 0.000 0.749 32 L CB -1.880 39.818 42.059 -0.602 0.000 0.889 32 L HN 0.260 nan 8.230 nan 0.000 0.432 33 P HA -0.178 nan 4.420 nan 0.000 0.217 33 P C 1.734 179.003 177.300 -0.051 0.000 1.150 33 P CA 1.674 64.724 63.100 -0.085 0.000 0.832 33 P CB -0.207 31.451 31.700 -0.069 0.000 0.787 34 M N -1.138 118.434 119.600 -0.046 0.000 2.200 34 M HA -0.044 4.435 4.480 -0.001 0.000 0.265 34 M C 2.236 178.522 176.300 -0.022 0.000 1.066 34 M CA 0.977 56.267 55.300 -0.018 0.000 1.127 34 M CB -1.497 31.099 32.600 -0.007 0.000 1.379 34 M HN -0.075 nan 8.290 nan 0.000 0.420 35 I N -0.015 120.529 120.570 -0.043 0.000 2.315 35 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 35 I C 2.470 178.562 176.117 -0.042 0.000 1.117 35 I CA 0.982 62.257 61.300 -0.040 0.000 1.404 35 I CB -1.053 36.918 38.000 -0.049 0.000 1.071 35 I HN 0.271 nan 8.210 nan 0.000 0.419 36 L N 0.727 121.919 121.223 -0.053 0.000 2.046 36 L HA -0.259 4.081 4.340 -0.001 0.000 0.208 36 L C 2.663 179.520 176.870 -0.023 0.000 1.077 36 L CA 1.616 56.431 54.840 -0.042 0.000 0.747 36 L CB -0.304 41.726 42.059 -0.048 0.000 0.896 36 L HN 0.237 nan 8.230 nan 0.000 0.432 37 K N -0.492 119.899 120.400 -0.015 0.000 2.009 37 K HA -0.197 4.123 4.320 -0.001 0.000 0.210 37 K C 2.030 178.632 176.600 0.003 0.000 1.049 37 K CA 2.037 58.325 56.287 0.002 0.000 0.929 37 K CB -0.052 32.457 32.500 0.016 0.000 0.714 37 K HN 0.239 nan 8.250 nan 0.000 0.440 38 S N 0.524 116.224 115.700 -0.000 0.000 2.383 38 S HA -0.159 4.311 4.470 -0.001 0.000 0.229 38 S C 1.983 176.578 174.600 -0.008 0.000 1.030 38 S CA 1.223 59.423 58.200 -0.000 0.000 1.002 38 S CB -0.273 62.925 63.200 -0.003 0.000 0.829 38 S HN 0.540 nan 8.310 nan 0.000 0.467 39 A N 1.173 123.983 122.820 -0.018 0.000 1.930 39 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 39 A C 2.074 179.649 177.584 -0.015 0.000 1.175 39 A CA 0.966 52.987 52.037 -0.025 0.000 0.627 39 A CB -0.555 18.422 19.000 -0.038 0.000 0.815 39 A HN 0.459 nan 8.150 nan 0.000 0.443 40 L N -0.804 120.414 121.223 -0.008 0.000 2.109 40 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 40 L C 2.461 179.333 176.870 0.003 0.000 1.086 40 L CA 1.306 56.145 54.840 -0.002 0.000 0.760 40 L CB -0.536 41.524 42.059 0.001 0.000 0.910 40 L HN 0.456 nan 8.230 nan 0.000 0.437 41 E N 0.249 120.452 120.200 0.006 0.000 2.153 41 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 41 E C 2.038 178.643 176.600 0.008 0.000 0.988 41 E CA 0.911 57.318 56.400 0.011 0.000 0.811 41 E CB -0.015 29.695 29.700 0.017 0.000 0.746 41 E HN 0.476 nan 8.360 nan 0.000 0.466 42 L N 0.486 121.710 121.223 0.002 0.000 2.591 42 L HA 0.017 4.357 4.340 -0.001 0.000 0.228 42 L C 0.194 177.063 176.870 -0.002 0.000 1.133 42 L CA -0.053 54.787 54.840 -0.001 0.000 0.880 42 L CB 0.133 42.188 42.059 -0.007 0.000 1.033 42 L HN 0.067 nan 8.230 nan 0.000 0.450 43 D N -0.506 119.894 120.400 -0.001 0.000 2.945 43 D HA -0.218 4.421 4.640 -0.001 0.000 0.225 43 D C 1.188 177.486 176.300 -0.004 0.000 1.158 43 D CA 0.538 54.538 54.000 -0.000 0.000 0.805 43 D CB -0.970 39.832 40.800 0.003 0.000 1.098 43 D HN 0.220 nan 8.370 nan 0.000 0.426 44 L N -0.463 120.753 121.223 -0.011 0.000 2.046 44 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 44 L C 2.594 179.457 176.870 -0.011 0.000 1.077 44 L CA 1.002 55.832 54.840 -0.018 0.000 0.747 44 L CB -0.449 41.588 42.059 -0.038 0.000 0.896 44 L HN 0.276 nan 8.230 nan 0.000 0.432 45 L N -0.698 120.520 121.223 -0.009 0.000 2.083 45 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 45 L C 2.750 179.622 176.870 0.003 0.000 1.083 45 L CA 0.965 55.805 54.840 -0.001 0.000 0.752 45 L CB -0.593 41.467 42.059 0.001 0.000 0.899 45 L HN 0.301 nan 8.230 nan 0.000 0.433 46 E N 0.543 120.744 120.200 0.002 0.000 2.047 46 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 46 E C 2.302 178.905 176.600 0.006 0.000 0.987 46 E CA 1.169 57.571 56.400 0.003 0.000 0.799 46 E CB -0.200 29.502 29.700 0.003 0.000 0.752 46 E HN 0.505 nan 8.360 nan 0.000 0.449 47 I N 1.018 121.591 120.570 0.006 0.000 2.163 47 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 47 I C 2.468 178.594 176.117 0.014 0.000 1.085 47 I CA 1.104 62.410 61.300 0.009 0.000 1.347 47 I CB -0.299 37.705 38.000 0.008 0.000 1.044 47 I HN 0.046 nan 8.210 nan 0.000 0.408 48 I N 0.569 121.149 120.570 0.017 0.000 2.361 48 I HA -0.267 3.903 4.170 -0.001 0.000 0.251 48 I C 2.768 178.898 176.117 0.022 0.000 1.133 48 I CA 1.107 62.423 61.300 0.028 0.000 1.413 48 I CB -0.430 37.592 38.000 0.037 0.000 1.073 48 I HN 0.197 nan 8.210 nan 0.000 0.424 49 A N 1.114 123.942 122.820 0.014 0.000 1.877 49 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 49 A C 2.278 179.867 177.584 0.008 0.000 1.186 49 A CA 1.607 53.649 52.037 0.009 0.000 0.620 49 A CB -0.465 18.537 19.000 0.003 0.000 0.822 49 A HN 0.329 nan 8.150 nan 0.000 0.443 50 K N -0.122 120.283 120.400 0.009 0.000 2.211 50 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 50 K C 2.000 178.606 176.600 0.010 0.000 1.047 50 K CA 0.981 57.272 56.287 0.008 0.000 0.935 50 K CB -0.351 32.154 32.500 0.008 0.000 0.728 50 K HN 0.461 nan 8.250 nan 0.000 0.452 51 A N 1.410 124.238 122.820 0.014 0.000 2.172 51 A HA 0.101 4.420 4.320 -0.001 0.000 0.216 51 A C 0.950 178.541 177.584 0.012 0.000 1.154 51 A CA 1.109 53.156 52.037 0.015 0.000 0.701 51 A CB -0.458 18.555 19.000 0.022 0.000 0.789 51 A HN 0.435 nan 8.150 nan 0.000 0.465 52 G N -1.285 107.521 108.800 0.010 0.000 2.619 52 G HA2 0.072 4.032 3.960 -0.001 0.000 0.686 52 G HA3 0.072 4.032 3.960 -0.001 0.000 0.686 52 G C -2.977 171.928 174.900 0.008 0.000 1.256 52 G CA -0.505 44.599 45.100 0.007 0.000 0.826 52 G HN 0.327 nan 8.290 nan 0.000 0.619 53 P HA 0.369 nan 4.420 nan 0.000 0.267 53 P C 1.185 178.489 177.300 0.007 0.000 1.205 53 P CA 1.707 64.810 63.100 0.004 0.000 0.765 53 P CB 0.774 32.474 31.700 0.001 0.000 0.828 54 G N 1.988 110.794 108.800 0.009 0.000 2.184 54 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.264 54 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.264 54 G C 0.412 175.319 174.900 0.012 0.000 0.975 54 G CA 0.173 45.279 45.100 0.010 0.000 0.642 54 G HN 0.921 nan 8.290 nan 0.000 0.536 55 A N -0.339 122.490 122.820 0.015 0.000 2.388 55 A HA 0.706 5.026 4.320 -0.001 0.000 0.257 55 A C 0.341 177.941 177.584 0.027 0.000 1.095 55 A CA 0.251 52.299 52.037 0.018 0.000 0.791 55 A CB 0.451 19.462 19.000 0.018 0.000 1.029 55 A HN 0.525 nan 8.150 nan 0.000 0.489 56 Q N 1.007 120.821 119.800 0.024 0.000 2.292 56 Q HA 0.568 4.908 4.340 -0.001 0.000 0.270 56 Q C -0.946 175.075 176.000 0.036 0.000 1.024 56 Q CA -0.244 55.578 55.803 0.032 0.000 0.768 56 Q CB 2.121 30.859 28.738 0.000 0.000 1.250 56 Q HN 0.794 nan 8.270 nan 0.000 0.447 57 I N -1.337 119.275 120.570 0.069 0.000 2.846 57 I HA 0.679 4.848 4.170 -0.001 0.000 0.307 57 I C 0.214 176.400 176.117 0.115 0.000 1.053 57 I CA -0.987 60.355 61.300 0.069 0.000 1.050 57 I CB 2.060 40.097 38.000 0.061 0.000 1.239 57 I HN 0.518 nan 8.210 nan 0.000 0.439 58 S N 2.549 118.304 115.700 0.091 0.000 2.624 58 S HA 0.426 4.896 4.470 -0.001 0.000 0.263 58 S C -1.942 172.744 174.600 0.143 0.000 1.287 58 S CA -0.873 57.401 58.200 0.124 0.000 0.990 58 S CB 0.899 64.141 63.200 0.070 0.000 0.950 58 S HN 0.605 nan 8.310 nan 0.000 0.561 59 P HA 0.023 nan 4.420 nan 0.000 0.220 59 P C 1.165 178.501 177.300 0.059 0.000 1.148 59 P CA 0.965 64.125 63.100 0.100 0.000 0.803 59 P CB -0.075 31.690 31.700 0.108 0.000 0.782 60 I N -0.670 119.935 120.570 0.058 0.000 2.286 60 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 60 I C 2.198 178.335 176.117 0.034 0.000 1.104 60 I CA 1.357 62.681 61.300 0.039 0.000 1.397 60 I CB -0.582 37.438 38.000 0.035 0.000 1.072 60 I HN -0.016 nan 8.210 nan 0.000 0.417 61 E N 1.116 121.340 120.200 0.040 0.000 2.051 61 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 61 E C 2.315 178.933 176.600 0.031 0.000 0.991 61 E CA 1.275 57.695 56.400 0.034 0.000 0.799 61 E CB -0.063 29.659 29.700 0.038 0.000 0.748 61 E HN 0.458 nan 8.360 nan 0.000 0.449 62 I N 1.215 121.807 120.570 0.037 0.000 2.179 62 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 62 I C 2.574 178.700 176.117 0.016 0.000 1.088 62 I CA 1.050 62.365 61.300 0.025 0.000 1.357 62 I CB -0.323 37.689 38.000 0.021 0.000 1.051 62 I HN 0.081 nan 8.210 nan 0.000 0.409 63 A N 0.680 123.510 122.820 0.017 0.000 1.940 63 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 63 A C 2.441 180.033 177.584 0.012 0.000 1.176 63 A CA 2.167 54.212 52.037 0.012 0.000 0.631 63 A CB -0.891 18.117 19.000 0.014 0.000 0.814 63 A HN 0.555 nan 8.150 nan 0.000 0.446 64 S N -1.015 114.694 115.700 0.015 0.000 2.469 64 S HA -0.124 4.345 4.470 -0.001 0.000 0.238 64 S C 1.375 175.982 174.600 0.012 0.000 0.998 64 S CA 1.183 59.391 58.200 0.013 0.000 0.957 64 S CB -0.211 62.998 63.200 0.015 0.000 0.764 64 S HN 0.567 nan 8.310 nan 0.000 0.514 65 Q N 0.547 120.354 119.800 0.012 0.000 2.280 65 Q HA 0.424 4.764 4.340 -0.001 0.000 0.201 65 Q C 0.008 176.013 176.000 0.008 0.000 0.890 65 Q CA 0.047 55.856 55.803 0.010 0.000 0.947 65 Q CB 0.124 28.869 28.738 0.011 0.000 1.081 65 Q HN 0.580 nan 8.270 nan 0.000 0.502 66 L N 2.660 123.887 121.223 0.008 0.000 2.343 66 L HA 0.300 4.639 4.340 -0.001 0.000 0.275 66 L C -1.655 175.219 176.870 0.007 0.000 1.056 66 L CA -1.806 53.038 54.840 0.006 0.000 0.804 66 L CB 0.986 43.048 42.059 0.005 0.000 1.203 66 L HN -0.148 nan 8.230 nan 0.000 0.440 67 P HA 0.065 nan 4.420 nan 0.000 0.225 67 P C -0.379 176.926 177.300 0.008 0.000 1.768 67 P CA 0.247 63.351 63.100 0.008 0.000 0.943 67 P CB 0.065 31.770 31.700 0.008 0.000 1.936 68 T N -0.904 113.654 114.554 0.008 0.000 2.802 68 T HA 0.422 4.772 4.350 -0.001 0.000 0.311 68 T C 0.402 175.107 174.700 0.008 0.000 1.405 68 T CA -0.180 61.925 62.100 0.007 0.000 1.016 68 T CB 1.299 70.171 68.868 0.007 0.000 1.352 68 T HN 0.058 nan 8.240 nan 0.000 0.498 69 T N -0.237 114.322 114.554 0.008 0.000 3.091 69 T HA 0.286 4.635 4.350 -0.001 0.000 0.277 69 T C 0.435 175.139 174.700 0.008 0.000 0.996 69 T CA -0.308 61.797 62.100 0.008 0.000 0.897 69 T CB -0.399 68.474 68.868 0.007 0.000 1.109 69 T HN 0.535 nan 8.240 nan 0.000 0.534 70 N N 3.387 122.092 118.700 0.008 0.000 2.414 70 N HA 0.131 4.871 4.740 -0.001 0.000 0.268 70 N C -1.687 173.828 175.510 0.009 0.000 1.286 70 N CA -1.595 51.460 53.050 0.008 0.000 0.896 70 N CB 1.146 39.638 38.487 0.007 0.000 1.093 70 N HN 0.045 nan 8.380 nan 0.000 0.480 71 P HA -0.072 nan 4.420 nan 0.000 0.220 71 P C 0.044 177.351 177.300 0.011 0.000 1.148 71 P CA 1.018 64.124 63.100 0.010 0.000 0.803 71 P CB 0.285 31.991 31.700 0.009 0.000 0.782 72 D N -1.133 119.273 120.400 0.010 0.000 2.348 72 D HA 0.067 4.707 4.640 -0.001 0.000 0.211 72 D C 1.876 178.183 176.300 0.010 0.000 0.998 72 D CA 0.518 54.525 54.000 0.011 0.000 0.873 72 D CB -0.229 40.577 40.800 0.010 0.000 0.925 72 D HN 0.054 nan 8.370 nan 0.000 0.524 73 A N 2.209 125.034 122.820 0.009 0.000 1.884 73 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 73 A C -0.161 177.428 177.584 0.008 0.000 1.197 73 A CA 1.501 53.542 52.037 0.007 0.000 0.637 73 A CB -1.546 17.458 19.000 0.007 0.000 0.827 73 A HN 0.179 nan 8.150 nan 0.000 0.450 74 P HA -0.127 nan 4.420 nan 0.000 0.214 74 P C 1.655 178.971 177.300 0.025 0.000 1.163 74 P CA 1.587 64.700 63.100 0.022 0.000 0.889 74 P CB -0.159 31.558 31.700 0.027 0.000 0.790 75 V N -1.141 118.788 119.914 0.024 0.000 2.343 75 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 75 V C 2.399 178.505 176.094 0.019 0.000 1.051 75 V CA 1.887 64.204 62.300 0.028 0.000 1.036 75 V CB -1.157 30.680 31.823 0.024 0.000 0.654 75 V HN 0.098 nan 8.190 nan 0.000 0.451 76 M N -0.800 118.806 119.600 0.010 0.000 2.117 76 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 76 M C 2.179 178.472 176.300 -0.012 0.000 1.065 76 M CA 1.935 57.236 55.300 0.002 0.000 1.114 76 M CB -0.497 32.103 32.600 0.001 0.000 1.361 76 M HN 0.260 nan 8.290 nan 0.000 0.408 77 L N -0.277 120.935 121.223 -0.018 0.000 2.046 77 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 77 L C 2.222 179.041 176.870 -0.084 0.000 1.077 77 L CA 1.236 56.045 54.840 -0.052 0.000 0.747 77 L CB -0.863 41.169 42.059 -0.044 0.000 0.896 77 L HN 0.309 nan 8.230 nan 0.000 0.432 78 D N 0.443 120.831 120.400 -0.021 0.000 2.116 78 D HA -0.208 4.431 4.640 -0.001 0.000 0.193 78 D C 2.289 178.597 176.300 0.013 0.000 0.998 78 D CA 1.555 55.574 54.000 0.031 0.000 0.836 78 D CB 0.081 40.947 40.800 0.110 0.000 0.951 78 D HN 0.135 nan 8.370 nan 0.000 0.449 79 R N -0.821 119.688 120.500 0.014 0.000 2.096 79 R HA -0.029 4.311 4.340 -0.001 0.000 0.235 79 R C 2.594 178.890 176.300 -0.006 0.000 1.127 79 R CA 1.218 57.331 56.100 0.021 0.000 0.968 79 R CB -0.202 30.110 30.300 0.021 0.000 0.861 79 R HN 0.324 nan 8.270 nan 0.000 0.440 80 M N -0.026 119.547 119.600 -0.045 0.000 2.099 80 M HA -0.129 4.351 4.480 -0.001 0.000 0.262 80 M C 1.809 178.043 176.300 -0.109 0.000 1.067 80 M CA 1.260 56.523 55.300 -0.061 0.000 1.124 80 M CB -0.158 32.401 32.600 -0.068 0.000 1.353 80 M HN 0.055 nan 8.290 nan 0.000 0.410 81 L N 0.189 121.265 121.223 -0.246 0.000 2.083 81 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 81 L C 2.440 179.150 176.870 -0.267 0.000 1.083 81 L CA 1.756 56.308 54.840 -0.480 0.000 0.752 81 L CB -1.441 39.885 42.059 -1.222 0.000 0.899 81 L HN 0.367 nan 8.230 nan 0.000 0.433 82 R N 0.001 120.473 120.500 -0.046 0.000 2.091 82 R HA -0.217 4.123 4.340 -0.001 0.000 0.238 82 R C 2.369 178.764 176.300 0.157 0.000 1.136 82 R CA 1.593 57.819 56.100 0.210 0.000 0.959 82 R CB -0.364 30.049 30.300 0.188 0.000 0.856 82 R HN 0.274 nan 8.270 nan 0.000 0.437 83 L N 0.828 122.113 121.223 0.104 0.000 2.046 83 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 83 L C 2.010 179.006 176.870 0.210 0.000 1.077 83 L CA 1.588 56.522 54.840 0.156 0.000 0.747 83 L CB -0.253 41.865 42.059 0.098 0.000 0.896 83 L HN 0.260 nan 8.230 nan 0.000 0.432 84 L N -0.476 120.811 121.223 0.107 0.000 2.083 84 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 84 L C 2.692 179.665 176.870 0.172 0.000 1.083 84 L CA 1.117 56.022 54.840 0.109 0.000 0.752 84 L CB -1.036 41.033 42.059 0.017 0.000 0.899 84 L HN 0.420 nan 8.230 nan 0.000 0.433 85 A N -0.809 122.121 122.820 0.184 0.000 1.930 85 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 85 A C 2.391 180.058 177.584 0.139 0.000 1.175 85 A CA 1.530 53.683 52.037 0.194 0.000 0.627 85 A CB -1.018 18.150 19.000 0.280 0.000 0.815 85 A HN 0.521 nan 8.150 nan 0.000 0.443 86 C N -2.173 117.209 119.300 0.138 0.000 2.411 86 C HA -0.109 4.351 4.460 -0.001 0.000 0.279 86 C C 1.929 176.866 174.990 -0.089 0.000 1.288 86 C CA 0.609 59.641 59.018 0.023 0.000 1.764 86 C CB -1.633 26.116 27.740 0.015 0.000 1.974 86 C HN 0.673 nan 8.230 nan 0.000 0.498 87 Y N 0.205 120.531 120.300 0.044 0.000 2.495 87 Y HA 0.318 4.867 4.550 -0.001 0.000 0.293 87 Y C 0.999 176.919 175.900 0.034 0.000 1.186 87 Y CA -0.104 58.018 58.100 0.036 0.000 1.266 87 Y CB -0.551 37.929 38.460 0.033 0.000 1.101 87 Y HN 0.142 nan 8.280 nan 0.000 0.517 88 I N -0.854 119.785 120.570 0.114 0.000 6.395 88 I HA -0.382 3.787 4.170 -0.001 0.000 0.126 88 I C 0.861 177.038 176.117 0.099 0.000 1.812 88 I CA 0.602 61.954 61.300 0.087 0.000 2.112 88 I CB -1.863 36.169 38.000 0.052 0.000 3.457 88 I HN 0.300 nan 8.210 nan 0.000 0.192 89 I N -0.707 119.934 120.570 0.118 0.000 3.081 89 I HA 0.106 4.276 4.170 -0.001 0.000 0.274 89 I C 1.049 177.216 176.117 0.084 0.000 1.178 89 I CA 0.656 62.011 61.300 0.091 0.000 1.460 89 I CB 0.203 38.252 38.000 0.082 0.000 1.137 89 I HN 0.093 nan 8.210 nan 0.000 0.443 90 L N -0.132 121.155 121.223 0.107 0.000 2.341 90 L HA 0.428 4.767 4.340 -0.001 0.000 0.267 90 L C -0.020 176.929 176.870 0.131 0.000 1.009 90 L CA -0.762 54.155 54.840 0.128 0.000 0.819 90 L CB 2.009 44.176 42.059 0.179 0.000 1.323 90 L HN 0.033 nan 8.230 nan 0.000 0.425 91 T N -2.237 112.386 114.554 0.114 0.000 2.927 91 T HA 0.575 4.925 4.350 -0.001 0.000 0.281 91 T C -0.548 174.187 174.700 0.059 0.000 0.998 91 T CA -0.712 61.429 62.100 0.069 0.000 1.019 91 T CB 1.911 70.804 68.868 0.041 0.000 1.061 91 T HN 0.671 nan 8.240 nan 0.000 0.518 92 C N 2.337 121.626 119.300 -0.018 0.000 2.811 92 C HA 0.792 5.251 4.460 -0.001 0.000 0.352 92 C C -0.648 174.260 174.990 -0.138 0.000 1.098 92 C CA -0.194 58.733 59.018 -0.151 0.000 1.295 92 C CB 0.618 28.239 27.740 -0.199 0.000 1.758 92 C HN 1.316 nan 8.230 nan 0.000 0.488 93 S N 4.426 120.022 115.700 -0.174 0.000 2.542 93 S HA 0.884 5.354 4.470 -0.001 0.000 0.293 93 S C -0.995 173.520 174.600 -0.141 0.000 1.089 93 S CA -0.579 57.551 58.200 -0.117 0.000 0.961 93 S CB 1.497 64.651 63.200 -0.076 0.000 1.062 93 S HN 0.884 nan 8.310 nan 0.000 0.483 94 V N 2.342 122.198 119.914 -0.097 0.000 2.834 94 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 94 V C 0.009 176.069 176.094 -0.056 0.000 1.060 94 V CA -0.899 61.351 62.300 -0.083 0.000 0.989 94 V CB 1.544 33.330 31.823 -0.062 0.000 1.041 94 V HN 1.124 nan 8.190 nan 0.000 0.459 95 R N 0.087 120.560 120.500 -0.045 0.000 2.561 95 R HA 0.493 4.833 4.340 -0.001 0.000 0.266 95 R C -0.954 175.334 176.300 -0.020 0.000 1.091 95 R CA -0.608 55.474 56.100 -0.029 0.000 0.927 95 R CB 1.334 31.617 30.300 -0.027 0.000 1.240 95 R HN 0.675 nan 8.270 nan 0.000 0.449 96 T N 0.285 114.830 114.554 -0.014 0.000 2.779 96 T HA 0.153 4.503 4.350 -0.001 0.000 0.296 96 T C 0.076 174.773 174.700 -0.006 0.000 0.938 96 T CA -0.556 61.538 62.100 -0.009 0.000 1.119 96 T CB 1.338 70.202 68.868 -0.007 0.000 0.891 96 T HN 0.563 nan 8.240 nan 0.000 0.526 97 Q N 1.469 121.268 119.800 -0.003 0.000 2.221 97 Q HA 0.268 4.607 4.340 -0.001 0.000 0.242 97 Q C 1.372 177.373 176.000 0.001 0.000 0.940 97 Q CA -0.484 55.319 55.803 -0.000 0.000 0.896 97 Q CB 1.464 30.203 28.738 0.003 0.000 1.226 97 Q HN 0.857 nan 8.270 nan 0.000 0.463 98 Q N 0.832 120.633 119.800 0.002 0.000 2.268 98 Q HA -0.203 4.137 4.340 -0.001 0.000 0.210 98 Q C 0.263 176.265 176.000 0.003 0.000 0.988 98 Q CA 2.179 57.983 55.803 0.002 0.000 0.883 98 Q CB 0.097 28.837 28.738 0.003 0.000 0.911 98 Q HN 0.744 nan 8.270 nan 0.000 0.430 99 D N -2.049 118.354 120.400 0.004 0.000 2.324 99 D HA 0.081 4.721 4.640 -0.001 0.000 0.235 99 D C 1.029 177.331 176.300 0.004 0.000 1.095 99 D CA 0.666 54.669 54.000 0.005 0.000 0.871 99 D CB -0.340 40.464 40.800 0.006 0.000 0.906 99 D HN 0.388 nan 8.370 nan 0.000 0.522 100 G N 0.090 108.892 108.800 0.003 0.000 2.189 100 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.267 100 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.267 100 G C 0.271 175.173 174.900 0.003 0.000 0.975 100 G CA 0.340 45.441 45.100 0.002 0.000 0.644 100 G HN 0.371 nan 8.290 nan 0.000 0.537 101 K N 0.249 120.652 120.400 0.004 0.000 2.090 101 K HA 0.655 4.975 4.320 -0.001 0.000 0.249 101 K C 0.626 177.228 176.600 0.003 0.000 0.995 101 K CA -0.350 55.940 56.287 0.005 0.000 0.914 101 K CB 1.796 34.302 32.500 0.009 0.000 1.057 101 K HN 0.737 nan 8.250 nan 0.000 0.462 102 V N -0.932 118.984 119.914 0.003 0.000 2.407 102 V HA 0.382 4.502 4.120 -0.001 0.000 0.278 102 V C -0.079 176.013 176.094 -0.002 0.000 1.037 102 V CA -0.803 61.495 62.300 -0.003 0.000 0.900 102 V CB 1.094 32.913 31.823 -0.006 0.000 0.983 102 V HN 0.697 nan 8.190 nan 0.000 0.459 103 Q N 3.983 123.776 119.800 -0.011 0.000 2.274 103 Q HA 0.580 4.920 4.340 -0.001 0.000 0.260 103 Q C -0.666 175.305 176.000 -0.049 0.000 0.974 103 Q CA -0.869 54.928 55.803 -0.010 0.000 0.876 103 Q CB 1.921 30.658 28.738 -0.002 0.000 1.297 103 Q HN 0.864 nan 8.270 nan 0.000 0.446 104 R N 2.763 123.222 120.500 -0.069 0.000 2.407 104 R HA 0.513 4.852 4.340 -0.001 0.000 0.303 104 R C -0.927 175.194 176.300 -0.299 0.000 0.981 104 R CA -0.438 55.518 56.100 -0.240 0.000 0.905 104 R CB 1.115 31.209 30.300 -0.343 0.000 1.099 104 R HN 0.531 nan 8.270 nan 0.000 0.459 105 L N 3.886 124.893 121.223 -0.359 0.000 2.313 105 L HA 0.476 4.816 4.340 -0.001 0.000 0.283 105 L C -1.038 175.640 176.870 -0.320 0.000 1.013 105 L CA -0.832 53.882 54.840 -0.209 0.000 0.816 105 L CB 0.983 42.985 42.059 -0.096 0.000 1.236 105 L HN 0.502 nan 8.230 nan 0.000 0.419 106 Y N 1.041 121.349 120.300 0.013 0.000 2.377 106 Y HA 0.745 5.294 4.550 -0.001 0.000 0.339 106 Y C 0.695 176.603 175.900 0.013 0.000 1.011 106 Y CA -0.593 57.516 58.100 0.015 0.000 1.093 106 Y CB 2.231 40.702 38.460 0.018 0.000 1.201 106 Y HN 0.587 nan 8.280 nan 0.000 0.455 107 G N 1.842 110.740 108.800 0.163 0.000 2.818 107 G HA2 0.668 4.628 3.960 -0.001 0.000 0.286 107 G HA3 0.668 4.628 3.960 -0.001 0.000 0.286 107 G C -1.736 173.219 174.900 0.091 0.000 1.364 107 G CA -1.144 44.014 45.100 0.097 0.000 0.938 107 G HN 0.528 nan 8.290 nan 0.000 0.490 108 L N 0.951 122.209 121.223 0.059 0.000 2.305 108 L HA 0.564 4.904 4.340 -0.001 0.000 0.281 108 L C 0.972 177.869 176.870 0.045 0.000 1.085 108 L CA -0.692 54.178 54.840 0.049 0.000 0.813 108 L CB 1.446 43.523 42.059 0.030 0.000 1.157 108 L HN 0.611 nan 8.230 nan 0.000 0.436 109 A N 1.401 124.251 122.820 0.051 0.000 2.371 109 A HA 0.314 4.634 4.320 -0.001 0.000 0.257 109 A C 1.373 178.979 177.584 0.038 0.000 1.089 109 A CA 0.093 52.158 52.037 0.046 0.000 0.794 109 A CB 0.465 19.498 19.000 0.055 0.000 1.029 109 A HN 0.932 nan 8.150 nan 0.000 0.488 110 T N -0.021 114.553 114.554 0.033 0.000 2.760 110 T HA -0.201 4.148 4.350 -0.001 0.000 0.269 110 T C 1.456 176.182 174.700 0.044 0.000 1.047 110 T CA 1.881 63.999 62.100 0.031 0.000 1.139 110 T CB -0.633 68.253 68.868 0.030 0.000 0.855 110 T HN 0.952 nan 8.240 nan 0.000 0.471 111 V N 0.864 120.809 119.914 0.052 0.000 3.217 111 V HA 0.483 4.603 4.120 -0.001 0.000 0.264 111 V C 2.285 178.427 176.094 0.081 0.000 1.135 111 V CA 0.890 63.231 62.300 0.069 0.000 1.142 111 V CB -0.993 30.863 31.823 0.055 0.000 0.754 111 V HN 0.670 nan 8.190 nan 0.000 0.484 112 A N -0.259 122.597 122.820 0.060 0.000 2.327 112 A HA 0.141 4.460 4.320 -0.001 0.000 0.228 112 A C 1.964 179.568 177.584 0.034 0.000 1.275 112 A CA 0.642 52.711 52.037 0.054 0.000 0.875 112 A CB -0.502 18.524 19.000 0.042 0.000 0.925 112 A HN 0.610 nan 8.150 nan 0.000 0.493 113 K N -0.447 119.969 120.400 0.027 0.000 2.044 113 K HA -0.200 4.120 4.320 -0.001 0.000 0.210 113 K C 0.477 176.952 176.600 -0.208 0.000 1.049 113 K CA 1.852 58.076 56.287 -0.106 0.000 0.927 113 K CB -0.304 32.101 32.500 -0.158 0.000 0.713 113 K HN 0.547 nan 8.250 nan 0.000 0.443 114 Y N 0.617 120.898 120.300 -0.033 0.000 2.471 114 Y HA 0.112 4.662 4.550 -0.000 0.000 0.321 114 Y C 1.034 176.915 175.900 -0.033 0.000 1.195 114 Y CA 0.141 58.216 58.100 -0.041 0.000 1.272 114 Y CB 0.204 38.610 38.460 -0.090 0.000 1.097 114 Y HN 0.055 nan 8.280 nan 0.000 0.507 115 L N -1.197 120.062 121.223 0.060 0.000 2.766 115 L HA 0.223 4.563 4.340 -0.001 0.000 0.242 115 L C -0.067 176.812 176.870 0.014 0.000 1.136 115 L CA 0.005 54.868 54.840 0.038 0.000 0.933 115 L CB 0.556 42.634 42.059 0.032 0.000 1.241 115 L HN -0.120 nan 8.230 nan 0.000 0.522 116 V N -0.274 119.638 119.914 -0.004 0.000 2.769 116 V HA 0.180 4.300 4.120 -0.001 0.000 0.312 116 V C 0.933 177.020 176.094 -0.011 0.000 1.058 116 V CA -0.805 61.490 62.300 -0.009 0.000 0.952 116 V CB 2.068 33.881 31.823 -0.017 0.000 1.019 116 V HN 0.116 nan 8.190 nan 0.000 0.445 117 K N 2.689 123.087 120.400 -0.003 0.000 2.633 117 K HA -0.116 4.204 4.320 -0.001 0.000 0.193 117 K C 1.754 178.350 176.600 -0.007 0.000 1.033 117 K CA 0.577 56.865 56.287 0.001 0.000 0.980 117 K CB -0.300 32.203 32.500 0.006 0.000 0.800 117 K HN 0.778 nan 8.250 nan 0.000 0.493 118 N N 1.292 119.978 118.700 -0.024 0.000 2.091 118 N HA -0.255 4.484 4.740 -0.001 0.000 0.193 118 N C 0.907 176.400 175.510 -0.028 0.000 1.021 118 N CA 1.259 54.289 53.050 -0.033 0.000 0.862 118 N CB -0.287 38.164 38.487 -0.060 0.000 1.018 118 N HN 0.091 nan 8.380 nan 0.000 0.429 119 E N 2.021 122.204 120.200 -0.029 0.000 2.860 119 E HA -0.009 4.341 4.350 -0.001 0.000 0.318 119 E C -0.890 175.722 176.600 0.019 0.000 1.481 119 E CA -0.007 56.391 56.400 -0.004 0.000 1.613 119 E CB -1.266 28.442 29.700 0.015 0.000 1.279 119 E HN 0.181 nan 8.360 nan 0.000 0.489 120 D N 0.357 120.764 120.400 0.011 0.000 2.956 120 D HA -0.181 4.458 4.640 -0.001 0.000 0.240 120 D C 0.787 177.100 176.300 0.022 0.000 1.141 120 D CA 1.002 55.012 54.000 0.017 0.000 0.820 120 D CB -1.395 39.419 40.800 0.024 0.000 0.988 120 D HN 0.575 nan 8.370 nan 0.000 0.417 121 G N -1.187 107.623 108.800 0.016 0.000 2.244 121 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.274 121 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.274 121 G C 0.372 175.287 174.900 0.025 0.000 1.002 121 G CA 0.506 45.617 45.100 0.018 0.000 0.740 121 G HN 0.770 nan 8.290 nan 0.000 0.516 122 V N 0.554 120.488 119.914 0.033 0.000 2.487 122 V HA 0.840 4.959 4.120 -0.001 0.000 0.298 122 V C 0.196 176.324 176.094 0.057 0.000 1.028 122 V CA 0.128 62.458 62.300 0.049 0.000 0.860 122 V CB 1.981 33.844 31.823 0.066 0.000 0.991 122 V HN 1.201 nan 8.190 nan 0.000 0.427 123 S N 3.857 119.594 115.700 0.062 0.000 2.588 123 S HA 0.555 5.025 4.470 -0.001 0.000 0.269 123 S C 0.243 174.883 174.600 0.066 0.000 1.157 123 S CA -0.783 57.459 58.200 0.071 0.000 0.824 123 S CB 1.302 64.527 63.200 0.042 0.000 1.126 123 S HN 0.396 nan 8.310 nan 0.000 0.464 124 I N 1.480 122.094 120.570 0.074 0.000 2.756 124 I HA -0.101 4.068 4.170 -0.001 0.000 0.262 124 I C 2.119 178.231 176.117 -0.008 0.000 1.225 124 I CA 0.719 62.024 61.300 0.009 0.000 1.472 124 I CB -0.496 37.493 38.000 -0.019 0.000 1.094 124 I HN 0.686 nan 8.210 nan 0.000 0.454 125 S N 1.032 116.740 115.700 0.014 0.000 2.419 125 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 125 S C 2.274 176.873 174.600 -0.001 0.000 1.016 125 S CA 1.200 59.403 58.200 0.005 0.000 0.974 125 S CB -0.184 63.023 63.200 0.011 0.000 0.786 125 S HN 0.586 nan 8.310 nan 0.000 0.492 126 A N 0.921 123.741 122.820 -0.001 0.000 2.015 126 A HA 0.026 4.345 4.320 -0.001 0.000 0.219 126 A C 1.921 179.492 177.584 -0.022 0.000 1.163 126 A CA 0.954 52.985 52.037 -0.009 0.000 0.646 126 A CB -0.416 18.579 19.000 -0.008 0.000 0.806 126 A HN 0.386 nan 8.150 nan 0.000 0.448 127 L N 0.524 121.729 121.223 -0.030 0.000 2.093 127 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 127 L C 2.334 179.198 176.870 -0.011 0.000 1.085 127 L CA 1.662 56.479 54.840 -0.038 0.000 0.755 127 L CB -0.830 41.180 42.059 -0.082 0.000 0.904 127 L HN 0.560 nan 8.230 nan 0.000 0.435 128 N N 0.128 118.824 118.700 -0.007 0.000 2.166 128 N HA -0.176 4.564 4.740 -0.001 0.000 0.186 128 N C 1.900 177.423 175.510 0.022 0.000 1.019 128 N CA 1.285 54.340 53.050 0.009 0.000 0.856 128 N CB 0.015 38.503 38.487 0.001 0.000 0.993 128 N HN 0.342 nan 8.380 nan 0.000 0.426 129 L N 0.400 121.632 121.223 0.014 0.000 2.131 129 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 129 L C 2.689 179.576 176.870 0.029 0.000 1.092 129 L CA 0.878 55.731 54.840 0.022 0.000 0.759 129 L CB -0.293 41.773 42.059 0.011 0.000 0.903 129 L HN 0.291 nan 8.230 nan 0.000 0.435 130 M N 0.215 119.819 119.600 0.006 0.000 2.095 130 M HA -0.173 4.306 4.480 -0.001 0.000 0.257 130 M C 1.881 178.217 176.300 0.060 0.000 1.089 130 M CA 1.947 57.239 55.300 -0.013 0.000 1.138 130 M CB -0.183 32.394 32.600 -0.039 0.000 1.303 130 M HN 0.141 nan 8.290 nan 0.000 0.422 131 N N -0.225 118.522 118.700 0.078 0.000 2.137 131 N HA -0.224 4.516 4.740 -0.001 0.000 0.190 131 N C 1.083 176.698 175.510 0.175 0.000 1.017 131 N CA 1.536 54.672 53.050 0.142 0.000 0.859 131 N CB -0.051 38.515 38.487 0.132 0.000 1.002 131 N HN 0.410 nan 8.380 nan 0.000 0.428 132 Q N 0.428 120.304 119.800 0.127 0.000 2.280 132 Q HA 0.126 4.466 4.340 -0.001 0.000 0.201 132 Q C -0.744 175.343 176.000 0.145 0.000 0.890 132 Q CA 0.039 55.920 55.803 0.130 0.000 0.947 132 Q CB 0.187 28.971 28.738 0.077 0.000 1.081 132 Q HN 0.273 nan 8.270 nan 0.000 0.502 133 D N 0.766 121.267 120.400 0.168 0.000 2.414 133 D HA -0.069 4.571 4.640 -0.001 0.000 0.242 133 D C 0.915 177.343 176.300 0.213 0.000 1.129 133 D CA 0.102 54.223 54.000 0.202 0.000 0.885 133 D CB 1.005 41.981 40.800 0.293 0.000 1.198 133 D HN 0.124 nan 8.370 nan 0.000 0.437 134 K N 2.461 122.973 120.400 0.186 0.000 2.218 134 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 134 K C 1.694 178.401 176.600 0.178 0.000 1.046 134 K CA 1.004 57.398 56.287 0.180 0.000 0.933 134 K CB -0.795 31.791 32.500 0.144 0.000 0.728 134 K HN 0.285 nan 8.250 nan 0.000 0.454 135 V N 2.399 122.390 119.914 0.129 0.000 2.237 135 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 135 V C 2.633 178.722 176.094 -0.007 0.000 1.046 135 V CA 1.634 63.917 62.300 -0.029 0.000 1.007 135 V CB -0.481 30.977 31.823 -0.609 0.000 0.638 135 V HN 0.222 nan 8.190 nan 0.000 0.445 136 L N -0.893 120.334 121.223 0.006 0.000 2.201 136 L HA -0.132 4.207 4.340 -0.001 0.000 0.212 136 L C 2.502 179.430 176.870 0.097 0.000 1.105 136 L CA 0.942 55.720 54.840 -0.103 0.000 0.775 136 L CB -0.432 41.574 42.059 -0.090 0.000 0.913 136 L HN 0.320 nan 8.230 nan 0.000 0.440 137 M N -0.646 119.087 119.600 0.222 0.000 2.460 137 M HA -0.165 4.315 4.480 -0.001 0.000 0.263 137 M C 2.007 178.463 176.300 0.259 0.000 1.071 137 M CA 1.143 56.646 55.300 0.339 0.000 1.096 137 M CB -0.785 32.001 32.600 0.310 0.000 1.408 137 M HN 0.156 nan 8.290 nan 0.000 0.463 138 E N 0.512 120.891 120.200 0.297 0.000 2.106 138 E HA -0.079 4.270 4.350 -0.001 0.000 0.192 138 E C 1.892 178.704 176.600 0.352 0.000 0.984 138 E CA 1.456 58.114 56.400 0.430 0.000 0.806 138 E CB 0.004 29.929 29.700 0.375 0.000 0.750 138 E HN 0.330 nan 8.360 nan 0.000 0.458 139 S N -0.112 115.693 115.700 0.176 0.000 2.374 139 S HA -0.198 4.271 4.470 -0.001 0.000 0.227 139 S C 1.563 176.125 174.600 -0.063 0.000 1.037 139 S CA 1.449 59.679 58.200 0.050 0.000 1.024 139 S CB -0.690 62.480 63.200 -0.050 0.000 0.861 139 S HN 0.487 nan 8.310 nan 0.000 0.456 140 W N 0.572 121.846 121.300 -0.044 0.000 2.331 140 W HA -0.157 4.503 4.660 -0.001 0.000 0.291 140 W C 1.728 178.105 176.519 -0.237 0.000 1.214 140 W CA 0.482 57.695 57.345 -0.220 0.000 1.228 140 W CB -0.655 28.572 29.460 -0.389 0.000 1.135 140 W HN 0.390 nan 8.180 nan 0.000 0.537 141 Y N -1.703 118.751 120.300 0.258 0.000 2.571 141 Y HA -0.101 4.448 4.550 -0.001 0.000 0.294 141 Y C 1.385 177.168 175.900 -0.194 0.000 1.141 141 Y CA 0.850 58.963 58.100 0.021 0.000 1.308 141 Y CB -0.590 37.832 38.460 -0.062 0.000 1.002 141 Y HN 0.090 nan 8.280 nan 0.000 0.551 142 H N -1.786 117.375 119.070 0.152 0.000 2.672 142 H HA 0.091 4.647 4.556 -0.001 0.000 0.277 142 H C 1.494 176.853 175.328 0.052 0.000 1.074 142 H CA -0.182 55.918 56.048 0.087 0.000 1.173 142 H CB 0.356 30.152 29.762 0.057 0.000 1.558 142 H HN 0.171 nan 8.280 nan 0.000 0.539 143 L N 1.103 122.409 121.223 0.138 0.000 2.056 143 L HA -0.060 4.280 4.340 -0.001 0.000 0.207 143 L C 2.178 179.094 176.870 0.076 0.000 1.078 143 L CA 1.822 56.721 54.840 0.099 0.000 0.749 143 L CB -0.326 41.818 42.059 0.143 0.000 0.901 143 L HN 0.106 nan 8.230 nan 0.000 0.433 144 K N -0.678 119.763 120.400 0.068 0.000 2.063 144 K HA -0.209 4.111 4.320 -0.001 0.000 0.208 144 K C 1.633 178.257 176.600 0.040 0.000 1.048 144 K CA 1.851 58.164 56.287 0.044 0.000 0.928 144 K CB -0.153 32.365 32.500 0.031 0.000 0.713 144 K HN 0.409 nan 8.250 nan 0.000 0.442 145 D N 0.165 120.596 120.400 0.052 0.000 2.144 145 D HA -0.094 4.546 4.640 -0.001 0.000 0.200 145 D C 1.741 178.073 176.300 0.054 0.000 0.978 145 D CA 1.132 55.165 54.000 0.055 0.000 0.833 145 D CB -0.083 40.768 40.800 0.086 0.000 0.961 145 D HN 0.332 nan 8.370 nan 0.000 0.470 146 A N 0.659 123.516 122.820 0.061 0.000 1.933 146 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 146 A C 2.504 180.103 177.584 0.026 0.000 1.175 146 A CA 1.020 53.081 52.037 0.040 0.000 0.628 146 A CB -0.587 18.434 19.000 0.035 0.000 0.814 146 A HN 0.132 nan 8.150 nan 0.000 0.444 147 V N 0.113 120.044 119.914 0.028 0.000 2.270 147 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 147 V C 2.516 178.620 176.094 0.016 0.000 1.043 147 V CA 1.935 64.246 62.300 0.020 0.000 1.014 147 V CB -0.755 31.081 31.823 0.022 0.000 0.645 147 V HN 0.568 nan 8.190 nan 0.000 0.447 148 L N -0.233 121.001 121.223 0.018 0.000 2.217 148 L HA -0.063 4.277 4.340 -0.001 0.000 0.211 148 L C 1.677 178.554 176.870 0.013 0.000 1.107 148 L CA 1.213 56.061 54.840 0.014 0.000 0.783 148 L CB -0.409 41.658 42.059 0.014 0.000 0.919 148 L HN 0.387 nan 8.230 nan 0.000 0.442 149 D N -0.910 119.500 120.400 0.016 0.000 2.474 149 D HA 0.252 4.892 4.640 -0.001 0.000 0.213 149 D C 0.952 177.259 176.300 0.011 0.000 1.120 149 D CA 0.854 54.862 54.000 0.014 0.000 0.836 149 D CB 1.175 41.985 40.800 0.018 0.000 1.019 149 D HN 0.234 nan 8.370 nan 0.000 0.507 150 G N 0.162 108.969 108.800 0.012 0.000 2.712 150 G HA2 0.379 4.338 3.960 -0.001 0.000 0.683 150 G HA3 0.379 4.338 3.960 -0.001 0.000 0.683 150 G C 0.283 175.188 174.900 0.008 0.000 1.320 150 G CA -0.417 44.687 45.100 0.007 0.000 0.847 150 G HN 0.852 nan 8.290 nan 0.000 0.553 151 G N -1.508 107.294 108.800 0.003 0.000 2.566 151 G HA2 0.340 4.300 3.960 -0.001 0.000 0.599 151 G HA3 0.340 4.300 3.960 -0.001 0.000 0.599 151 G C -0.446 174.455 174.900 0.002 0.000 1.292 151 G CA -0.089 45.012 45.100 0.002 0.000 0.922 151 G HN 1.715 nan 8.290 nan 0.000 0.514 152 I N 1.552 122.123 120.570 0.002 0.000 2.378 152 I HA 0.308 4.477 4.170 -0.001 0.000 0.291 152 I C -1.336 174.787 176.117 0.010 0.000 0.992 152 I CA -2.284 59.019 61.300 0.005 0.000 1.154 152 I CB 2.396 40.409 38.000 0.023 0.000 1.315 152 I HN 0.312 nan 8.210 nan 0.000 0.448 153 P HA -0.265 nan 4.420 nan 0.000 0.217 153 P C 1.565 178.879 177.300 0.023 0.000 1.162 153 P CA 1.615 64.729 63.100 0.023 0.000 0.901 153 P CB 0.078 31.747 31.700 -0.052 0.000 0.793 154 F N 0.077 119.975 119.950 -0.087 0.000 2.269 154 F HA -0.126 4.400 4.527 -0.001 0.000 0.301 154 F C 1.614 177.353 175.800 -0.103 0.000 1.082 154 F CA 1.488 59.426 58.000 -0.103 0.000 1.360 154 F CB -0.803 38.130 39.000 -0.111 0.000 1.041 154 F HN -0.067 nan 8.300 nan 0.000 0.512 155 N N -0.178 118.449 118.700 -0.122 0.000 2.290 155 N HA -0.090 4.650 4.740 -0.001 0.000 0.179 155 N C 1.426 176.825 175.510 -0.184 0.000 1.016 155 N CA 0.677 53.629 53.050 -0.165 0.000 0.871 155 N CB -0.091 38.374 38.487 -0.038 0.000 0.987 155 N HN 0.255 nan 8.380 nan 0.000 0.431 156 K N 0.692 120.993 120.400 -0.165 0.000 2.439 156 K HA 0.086 4.406 4.320 -0.001 0.000 0.197 156 K C 1.607 177.949 176.600 -0.431 0.000 1.041 156 K CA 0.486 56.663 56.287 -0.183 0.000 0.970 156 K CB 0.197 32.660 32.500 -0.062 0.000 0.773 156 K HN 0.152 nan 8.250 nan 0.000 0.479 157 A N -0.141 122.322 122.820 -0.595 0.000 1.997 157 A HA 0.050 4.370 4.320 -0.001 0.000 0.212 157 A C 1.175 178.443 177.584 -0.527 0.000 1.178 157 A CA 0.620 52.142 52.037 -0.858 0.000 0.698 157 A CB 0.002 18.618 19.000 -0.640 0.000 0.842 157 A HN 0.131 nan 8.150 nan 0.000 0.458 158 Y N -1.437 118.524 120.300 -0.566 0.000 2.687 158 Y HA 0.456 5.006 4.550 -0.001 0.000 0.246 158 Y C 1.710 177.444 175.900 -0.276 0.000 1.061 158 Y CA 0.060 57.893 58.100 -0.444 0.000 1.400 158 Y CB 0.044 38.100 38.460 -0.673 0.000 1.325 158 Y HN 0.349 nan 8.280 nan 0.000 0.498 159 G N 0.379 109.132 108.800 -0.079 0.000 2.325 159 G HA2 0.164 4.123 3.960 -0.001 0.000 0.214 159 G HA3 0.164 4.123 3.960 -0.001 0.000 0.214 159 G C -0.468 174.422 174.900 -0.016 0.000 1.087 159 G CA -0.139 44.930 45.100 -0.052 0.000 0.811 159 G HN 0.341 nan 8.290 nan 0.000 0.486 160 M N -1.534 118.047 119.600 -0.032 0.000 2.751 160 M HA 0.518 4.998 4.480 -0.001 0.000 0.276 160 M C 0.090 176.434 176.300 0.074 0.000 1.002 160 M CA -0.322 55.000 55.300 0.036 0.000 0.828 160 M CB 0.290 32.945 32.600 0.092 0.000 1.752 160 M HN 0.777 nan 8.290 nan 0.000 0.556 161 T N 0.281 114.916 114.554 0.136 0.000 2.718 161 T HA 0.496 4.846 4.350 -0.001 0.000 0.377 161 T C 1.098 176.045 174.700 0.412 0.000 1.072 161 T CA 0.543 62.779 62.100 0.227 0.000 1.065 161 T CB 0.204 69.162 68.868 0.150 0.000 1.194 161 T HN 1.017 nan 8.240 nan 0.000 0.517 162 A N -0.305 122.727 122.820 0.354 0.000 1.878 162 A HA 0.240 4.559 4.320 -0.001 0.000 0.213 162 A C 2.007 179.736 177.584 0.242 0.000 1.192 162 A CA 0.501 52.645 52.037 0.178 0.000 0.619 162 A CB -1.057 17.854 19.000 -0.148 0.000 0.837 162 A HN 0.711 nan 8.150 nan 0.000 0.446 163 F N 1.102 121.011 119.950 -0.068 0.000 2.287 163 F HA -0.154 4.373 4.527 -0.001 0.000 0.301 163 F C 2.296 178.109 175.800 0.021 0.000 1.069 163 F CA 1.494 59.417 58.000 -0.129 0.000 1.372 163 F CB -0.399 38.551 39.000 -0.084 0.000 1.056 163 F HN 0.369 nan 8.300 nan 0.000 0.523 164 E N -1.363 119.017 120.200 0.301 0.000 2.030 164 E HA -0.204 4.146 4.350 -0.001 0.000 0.189 164 E C 2.005 178.754 176.600 0.248 0.000 0.974 164 E CA 0.903 57.440 56.400 0.228 0.000 0.807 164 E CB -0.571 29.242 29.700 0.188 0.000 0.771 164 E HN 0.366 nan 8.360 nan 0.000 0.451 165 Y N 1.586 121.999 120.300 0.188 0.000 2.181 165 Y HA -0.300 4.249 4.550 -0.000 0.000 0.284 165 Y C 2.050 178.027 175.900 0.127 0.000 1.179 165 Y CA 2.040 60.214 58.100 0.123 0.000 1.179 165 Y CB -0.296 38.224 38.460 0.099 0.000 0.973 165 Y HN 0.197 nan 8.280 nan 0.000 0.519 166 H N -1.608 117.546 119.070 0.140 0.000 2.518 166 H HA -0.093 4.463 4.556 -0.001 0.000 0.294 166 H C 2.161 177.499 175.328 0.017 0.000 1.083 166 H CA 1.215 57.316 56.048 0.089 0.000 1.264 166 H CB -0.586 29.178 29.762 0.003 0.000 1.370 166 H HN 0.410 nan 8.280 nan 0.000 0.560 167 G N -0.976 107.879 108.800 0.092 0.000 3.088 167 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.217 167 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.217 167 G C 0.991 175.856 174.900 -0.058 0.000 1.159 167 G CA 0.572 45.690 45.100 0.029 0.000 0.760 167 G HN 0.494 nan 8.290 nan 0.000 0.550 168 T N -2.887 111.555 114.554 -0.186 0.000 3.228 168 T HA 0.381 4.731 4.350 -0.001 0.000 0.278 168 T C -0.404 174.105 174.700 -0.318 0.000 1.014 168 T CA -0.141 61.803 62.100 -0.260 0.000 0.904 168 T CB 0.595 69.256 68.868 -0.345 0.000 1.110 168 T HN 0.036 nan 8.240 nan 0.000 0.541 169 D N 0.918 121.192 120.400 -0.211 0.000 2.127 169 D HA 0.177 4.817 4.640 -0.001 0.000 0.167 169 D C -2.328 173.982 176.300 0.017 0.000 1.210 169 D CA -0.916 53.020 54.000 -0.106 0.000 0.976 169 D CB 1.496 42.201 40.800 -0.157 0.000 1.975 169 D HN -0.082 nan 8.370 nan 0.000 0.527 170 P HA -0.138 nan 4.420 nan 0.000 0.216 170 P C 1.556 178.903 177.300 0.078 0.000 1.153 170 P CA 0.471 63.604 63.100 0.056 0.000 0.844 170 P CB 0.393 32.117 31.700 0.040 0.000 0.787 171 R N -0.576 119.975 120.500 0.086 0.000 2.112 171 R HA -0.218 4.121 4.340 -0.001 0.000 0.242 171 R C 2.276 178.659 176.300 0.139 0.000 1.137 171 R CA 1.856 58.018 56.100 0.102 0.000 0.944 171 R CB -1.149 29.218 30.300 0.112 0.000 0.857 171 R HN 0.037 nan 8.270 nan 0.000 0.435 172 F N 1.892 121.851 119.950 0.016 0.000 2.102 172 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 172 F C 2.174 177.962 175.800 -0.020 0.000 1.105 172 F CA 2.207 60.208 58.000 0.001 0.000 1.239 172 F CB -0.741 38.268 39.000 0.014 0.000 0.991 172 F HN 0.187 nan 8.300 nan 0.000 0.474 173 N N 0.240 118.953 118.700 0.022 0.000 2.149 173 N HA -0.210 4.530 4.740 -0.001 0.000 0.188 173 N C 1.677 177.221 175.510 0.055 0.000 1.019 173 N CA 1.719 54.782 53.050 0.022 0.000 0.857 173 N CB -0.170 38.390 38.487 0.122 0.000 0.997 173 N HN 0.309 nan 8.380 nan 0.000 0.426 174 K N -0.405 120.015 120.400 0.033 0.000 2.026 174 K HA -0.081 4.239 4.320 -0.001 0.000 0.208 174 K C 1.928 178.521 176.600 -0.011 0.000 1.048 174 K CA 1.517 57.819 56.287 0.025 0.000 0.929 174 K CB -0.221 32.296 32.500 0.028 0.000 0.713 174 K HN 0.044 nan 8.250 nan 0.000 0.439 175 V N 1.221 121.103 119.914 -0.054 0.000 2.295 175 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 175 V C 2.031 178.057 176.094 -0.114 0.000 1.049 175 V CA 1.707 63.953 62.300 -0.090 0.000 1.024 175 V CB -0.620 31.126 31.823 -0.129 0.000 0.648 175 V HN 0.204 nan 8.190 nan 0.000 0.447 176 F N 2.193 121.945 119.950 -0.330 0.000 2.069 176 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 176 F C 2.393 178.137 175.800 -0.093 0.000 1.113 176 F CA 2.082 59.922 58.000 -0.266 0.000 1.214 176 F CB -0.609 38.214 39.000 -0.295 0.000 0.978 176 F HN 0.158 nan 8.300 nan 0.000 0.474 177 N N 0.507 119.119 118.700 -0.148 0.000 2.289 177 N HA -0.188 4.551 4.740 -0.001 0.000 0.184 177 N C 1.791 177.207 175.510 -0.156 0.000 1.016 177 N CA 1.201 54.141 53.050 -0.184 0.000 0.872 177 N CB -0.313 38.179 38.487 0.010 0.000 0.973 177 N HN 0.267 nan 8.380 nan 0.000 0.433 178 K N 0.989 121.322 120.400 -0.113 0.000 2.076 178 K HA 0.043 4.363 4.320 -0.001 0.000 0.204 178 K C 1.911 178.467 176.600 -0.073 0.000 1.051 178 K CA 1.075 57.324 56.287 -0.063 0.000 0.949 178 K CB -0.760 31.718 32.500 -0.036 0.000 0.726 178 K HN 0.090 nan 8.250 nan 0.000 0.443 179 G N 0.897 109.619 108.800 -0.130 0.000 2.484 179 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.215 179 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.215 179 G C 1.366 176.229 174.900 -0.062 0.000 1.219 179 G CA 1.251 46.291 45.100 -0.101 0.000 0.791 179 G HN 0.178 nan 8.290 nan 0.000 0.550 180 M N 1.136 120.596 119.600 -0.232 0.000 2.106 180 M HA -0.068 4.412 4.480 -0.001 0.000 0.259 180 M C 2.723 179.062 176.300 0.064 0.000 1.068 180 M CA 1.547 56.787 55.300 -0.099 0.000 1.100 180 M CB -1.597 30.778 32.600 -0.374 0.000 1.351 180 M HN 0.343 nan 8.290 nan 0.000 0.404 181 S N 0.549 116.238 115.700 -0.018 0.000 2.351 181 S HA -0.192 4.277 4.470 -0.001 0.000 0.220 181 S C 1.489 176.143 174.600 0.090 0.000 1.035 181 S CA 2.092 60.312 58.200 0.033 0.000 1.031 181 S CB -0.284 62.918 63.200 0.004 0.000 0.928 181 S HN 0.427 nan 8.310 nan 0.000 0.433 182 D N -0.123 120.330 120.400 0.087 0.000 2.106 182 D HA -0.144 4.496 4.640 -0.001 0.000 0.191 182 D C 1.826 178.257 176.300 0.218 0.000 0.997 182 D CA 1.762 55.835 54.000 0.121 0.000 0.834 182 D CB -0.612 40.240 40.800 0.088 0.000 0.956 182 D HN 0.703 nan 8.370 nan 0.000 0.448 183 H N -0.352 118.792 119.070 0.123 0.000 2.289 183 H HA -0.171 4.385 4.556 -0.001 0.000 0.296 183 H C 2.213 177.733 175.328 0.320 0.000 1.091 183 H CA 1.502 57.679 56.048 0.216 0.000 1.274 183 H CB 0.035 29.915 29.762 0.195 0.000 1.364 183 H HN 0.045 nan 8.280 nan 0.000 0.490 184 S N -0.827 115.057 115.700 0.306 0.000 2.359 184 S HA -0.177 4.293 4.470 -0.001 0.000 0.224 184 S C 2.165 176.801 174.600 0.060 0.000 1.035 184 S CA 1.972 60.203 58.200 0.051 0.000 1.018 184 S CB -0.514 62.681 63.200 -0.008 0.000 0.876 184 S HN 0.566 nan 8.310 nan 0.000 0.448 185 T N 2.463 117.082 114.554 0.109 0.000 2.684 185 T HA -0.040 4.309 4.350 -0.001 0.000 0.267 185 T C 1.745 176.531 174.700 0.144 0.000 1.036 185 T CA 1.676 63.837 62.100 0.103 0.000 1.148 185 T CB -0.428 68.500 68.868 0.100 0.000 0.863 185 T HN 0.400 nan 8.240 nan 0.000 0.436 186 I N 0.864 121.564 120.570 0.216 0.000 2.179 186 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 186 I C 2.729 179.040 176.117 0.323 0.000 1.088 186 I CA 1.195 62.673 61.300 0.296 0.000 1.357 186 I CB -0.599 37.613 38.000 0.353 0.000 1.051 186 I HN 0.268 nan 8.210 nan 0.000 0.409 187 T N 0.423 115.161 114.554 0.307 0.000 2.701 187 T HA -0.208 4.142 4.350 -0.001 0.000 0.263 187 T C 1.845 176.596 174.700 0.085 0.000 1.040 187 T CA 1.387 63.634 62.100 0.245 0.000 1.147 187 T CB -0.230 68.770 68.868 0.220 0.000 0.865 187 T HN 0.135 nan 8.240 nan 0.000 0.426 188 M N 1.580 121.202 119.600 0.037 0.000 2.108 188 M HA -0.106 4.374 4.480 -0.001 0.000 0.257 188 M C 2.051 178.377 176.300 0.044 0.000 1.071 188 M CA 1.675 56.988 55.300 0.022 0.000 1.093 188 M CB -0.451 32.156 32.600 0.012 0.000 1.345 188 M HN 0.095 nan 8.290 nan 0.000 0.403 189 K N -0.667 119.771 120.400 0.063 0.000 2.032 189 K HA -0.265 4.055 4.320 -0.001 0.000 0.209 189 K C 2.059 178.665 176.600 0.010 0.000 1.048 189 K CA 1.894 58.214 56.287 0.055 0.000 0.927 189 K CB -0.194 32.360 32.500 0.089 0.000 0.712 189 K HN 0.113 nan 8.250 nan 0.000 0.441 190 K N 1.103 121.476 120.400 -0.045 0.000 2.211 190 K HA -0.019 4.301 4.320 -0.001 0.000 0.203 190 K C 1.729 178.237 176.600 -0.153 0.000 1.050 190 K CA 1.100 57.254 56.287 -0.221 0.000 0.945 190 K CB -0.109 32.003 32.500 -0.646 0.000 0.732 190 K HN 0.268 nan 8.250 nan 0.000 0.451 191 I N 0.098 120.628 120.570 -0.067 0.000 2.202 191 I HA -0.235 3.934 4.170 -0.001 0.000 0.242 191 I C 1.492 177.657 176.117 0.081 0.000 1.091 191 I CA 0.664 61.954 61.300 -0.016 0.000 1.368 191 I CB -0.278 37.721 38.000 -0.001 0.000 1.058 191 I HN 0.083 nan 8.210 nan 0.000 0.410 192 L N 0.636 121.926 121.223 0.111 0.000 2.353 192 L HA -0.139 4.201 4.340 -0.001 0.000 0.220 192 L C 2.130 179.059 176.870 0.099 0.000 1.133 192 L CA 1.691 56.634 54.840 0.171 0.000 0.798 192 L CB -1.236 40.916 42.059 0.154 0.000 0.922 192 L HN 0.398 nan 8.230 nan 0.000 0.445 193 E N -1.081 119.138 120.200 0.032 0.000 2.400 193 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 193 E C 1.591 178.185 176.600 -0.011 0.000 1.012 193 E CA 1.044 57.442 56.400 -0.003 0.000 0.875 193 E CB 0.319 29.997 29.700 -0.037 0.000 0.859 193 E HN 0.522 nan 8.360 nan 0.000 0.498 194 T N -2.607 111.946 114.554 -0.001 0.000 2.975 194 T HA 0.029 4.378 4.350 -0.001 0.000 0.261 194 T C -0.146 174.596 174.700 0.070 0.000 0.984 194 T CA -0.445 61.654 62.100 -0.001 0.000 0.911 194 T CB 0.008 68.840 68.868 -0.060 0.000 1.127 194 T HN 0.007 nan 8.240 nan 0.000 0.514 195 Y N 2.060 122.314 120.300 -0.077 0.000 2.369 195 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 195 Y C 0.948 176.816 175.900 -0.053 0.000 0.961 195 Y CA -1.177 56.851 58.100 -0.119 0.000 1.186 195 Y CB 1.771 40.118 38.460 -0.189 0.000 1.139 195 Y HN 0.008 nan 8.280 nan 0.000 0.494 196 T N 2.892 117.228 114.554 -0.363 0.000 3.031 196 T HA 0.029 4.379 4.350 -0.001 0.000 0.254 196 T C 1.932 176.286 174.700 -0.576 0.000 1.060 196 T CA 0.980 62.890 62.100 -0.317 0.000 1.135 196 T CB -0.109 68.662 68.868 -0.162 0.000 0.896 196 T HN 0.883 nan 8.240 nan 0.000 0.472 197 G N 0.472 108.671 108.800 -1.002 0.000 2.537 197 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 197 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 197 G C 1.006 175.468 174.900 -0.731 0.000 1.111 197 G CA 0.036 44.636 45.100 -0.834 0.000 0.748 197 G HN 0.556 nan 8.290 nan 0.000 0.564 198 F N 0.714 119.950 119.950 -1.190 0.000 2.788 198 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 198 F C 2.057 177.344 175.800 -0.856 0.000 1.229 198 F CA -0.473 57.033 58.000 -0.823 0.000 1.446 198 F CB 0.306 38.834 39.000 -0.787 0.000 1.118 198 F HN 0.174 nan 8.300 nan 0.000 0.579 199 E N 0.818 120.789 120.200 -0.382 0.000 1.996 199 E HA -0.136 4.214 4.350 -0.001 0.000 0.197 199 E C 1.477 177.962 176.600 -0.193 0.000 1.002 199 E CA 1.078 57.344 56.400 -0.224 0.000 0.840 199 E CB -1.126 28.529 29.700 -0.074 0.000 0.786 199 E HN 0.312 nan 8.360 nan 0.000 0.469 200 G N 2.738 111.472 108.800 -0.110 0.000 2.172 200 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.244 200 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.244 200 G C 0.050 174.909 174.900 -0.069 0.000 0.743 200 G CA 0.279 45.337 45.100 -0.070 0.000 1.146 200 G HN 0.198 nan 8.290 nan 0.000 0.327 201 L N 1.935 123.133 121.223 -0.042 0.000 2.825 201 L HA 0.010 4.350 4.340 -0.001 0.000 0.278 201 L C 1.270 178.117 176.870 -0.038 0.000 1.125 201 L CA 1.079 55.899 54.840 -0.032 0.000 1.023 201 L CB -0.090 41.956 42.059 -0.021 0.000 1.377 201 L HN 0.896 nan 8.230 nan 0.000 0.471 202 K N 3.075 123.445 120.400 -0.049 0.000 2.598 202 K HA -0.245 4.075 4.320 -0.001 0.000 0.593 202 K C -0.250 176.320 176.600 -0.050 0.000 2.574 202 K CA 0.619 56.876 56.287 -0.050 0.000 1.992 202 K CB -0.125 32.354 32.500 -0.035 0.000 2.737 202 K HN 0.688 nan 8.250 nan 0.000 0.172 203 S N -0.456 115.214 115.700 -0.050 0.000 3.131 203 S HA -0.051 4.419 4.470 -0.001 0.000 0.767 203 S C -1.056 173.519 174.600 -0.041 0.000 0.744 203 S CA 0.375 58.550 58.200 -0.041 0.000 1.466 203 S CB -0.586 62.596 63.200 -0.031 0.000 1.035 203 S HN 0.960 nan 8.310 nan 0.000 0.730 204 L N 4.704 125.901 121.223 -0.043 0.000 2.614 204 L HA 0.773 5.113 4.340 -0.001 0.000 0.264 204 L C -1.088 175.776 176.870 -0.010 0.000 0.940 204 L CA -0.380 54.448 54.840 -0.021 0.000 0.903 204 L CB 1.969 43.989 42.059 -0.066 0.000 1.306 204 L HN 0.583 nan 8.230 nan 0.000 0.410 205 V N 4.383 124.309 119.914 0.020 0.000 2.328 205 V HA 0.490 4.610 4.120 -0.001 0.000 0.278 205 V C -0.755 175.391 176.094 0.088 0.000 1.021 205 V CA -0.275 62.039 62.300 0.025 0.000 0.838 205 V CB 1.518 33.323 31.823 -0.031 0.000 0.999 205 V HN 0.897 nan 8.190 nan 0.000 0.447 206 D N 5.578 126.043 120.400 0.108 0.000 2.365 206 D HA 0.285 4.925 4.640 -0.001 0.000 0.237 206 D C -0.144 176.248 176.300 0.153 0.000 1.190 206 D CA -0.035 54.067 54.000 0.170 0.000 0.867 206 D CB 1.276 42.173 40.800 0.162 0.000 1.050 206 D HN 0.407 nan 8.370 nan 0.000 0.491 207 V N 3.969 123.958 119.914 0.126 0.000 2.572 207 V HA 0.359 4.478 4.120 -0.001 0.000 0.291 207 V C 1.554 177.670 176.094 0.036 0.000 1.039 207 V CA 0.301 62.694 62.300 0.154 0.000 1.055 207 V CB 0.902 32.745 31.823 0.034 0.000 0.969 207 V HN 0.915 nan 8.190 nan 0.000 0.482 208 G N 4.181 112.977 108.800 -0.007 0.000 2.323 208 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.292 208 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.292 208 G C 0.913 175.818 174.900 0.008 0.000 1.040 208 G CA 0.392 45.471 45.100 -0.034 0.000 0.942 208 G HN 1.350 nan 8.290 nan 0.000 0.506 209 G N -0.802 108.003 108.800 0.007 0.000 2.572 209 G HA2 0.469 4.429 3.960 -0.001 0.000 0.216 209 G HA3 0.469 4.429 3.960 -0.001 0.000 0.216 209 G C 1.738 176.652 174.900 0.024 0.000 1.133 209 G CA 1.542 46.659 45.100 0.028 0.000 0.791 209 G HN 2.128 nan 8.290 nan 0.000 0.538 210 G N -0.254 108.549 108.800 0.006 0.000 2.523 210 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.271 210 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.271 210 G C 1.126 176.048 174.900 0.036 0.000 1.146 210 G CA 0.812 45.921 45.100 0.015 0.000 0.961 210 G HN 0.403 nan 8.290 nan 0.000 0.549 211 T N 1.385 115.967 114.554 0.048 0.000 2.951 211 T HA 0.335 4.685 4.350 -0.001 0.000 0.268 211 T C 2.155 176.938 174.700 0.139 0.000 1.073 211 T CA 2.735 64.874 62.100 0.064 0.000 1.134 211 T CB -0.385 68.503 68.868 0.033 0.000 0.884 211 T HN 2.360 nan 8.240 nan 0.000 0.479 212 G N 0.135 108.998 108.800 0.104 0.000 2.481 212 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.200 212 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.200 212 G C 1.288 176.231 174.900 0.072 0.000 1.012 212 G CA 0.301 45.462 45.100 0.101 0.000 0.676 212 G HN 0.557 nan 8.290 nan 0.000 0.488 213 A N 0.605 123.471 122.820 0.076 0.000 1.941 213 A HA -0.258 4.062 4.320 -0.001 0.000 0.233 213 A C 2.704 180.313 177.584 0.041 0.000 1.649 213 A CA 4.341 56.418 52.037 0.066 0.000 0.726 213 A CB -1.277 17.754 19.000 0.050 0.000 0.843 213 A HN 1.376 nan 8.150 nan 0.000 0.511 214 V N -0.789 119.141 119.914 0.026 0.000 2.219 214 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 214 V C 2.375 178.450 176.094 -0.032 0.000 1.053 214 V CA 2.454 64.762 62.300 0.014 0.000 1.009 214 V CB -0.673 31.191 31.823 0.069 0.000 0.636 214 V HN 0.667 nan 8.190 nan 0.000 0.445 215 I N -0.799 119.750 120.570 -0.036 0.000 3.081 215 I HA -0.063 4.107 4.170 -0.001 0.000 0.274 215 I C 2.420 178.507 176.117 -0.050 0.000 1.178 215 I CA 0.669 61.911 61.300 -0.097 0.000 1.460 215 I CB -0.273 37.667 38.000 -0.100 0.000 1.137 215 I HN 0.400 nan 8.210 nan 0.000 0.443 216 N N 0.640 119.348 118.700 0.013 0.000 2.268 216 N HA -0.376 4.364 4.740 -0.001 0.000 0.180 216 N C 1.555 177.156 175.510 0.153 0.000 0.826 216 N CA 2.924 56.047 53.050 0.123 0.000 0.913 216 N CB -0.158 38.435 38.487 0.177 0.000 1.033 216 N HN 0.522 nan 8.380 nan 0.000 0.919 217 T N -2.135 112.463 114.554 0.074 0.000 3.245 217 T HA 0.260 4.610 4.350 -0.001 0.000 0.261 217 T C 1.814 176.488 174.700 -0.043 0.000 0.842 217 T CA 0.266 62.370 62.100 0.007 0.000 0.858 217 T CB -0.607 68.240 68.868 -0.035 0.000 1.262 217 T HN 0.132 nan 8.240 nan 0.000 0.587 218 I N 1.875 122.427 120.570 -0.029 0.000 2.068 218 I HA -0.212 3.958 4.170 -0.001 0.000 0.238 218 I C 2.357 178.420 176.117 -0.089 0.000 1.046 218 I CA 1.959 63.233 61.300 -0.043 0.000 1.306 218 I CB -0.475 37.511 38.000 -0.024 0.000 1.023 218 I HN 0.155 nan 8.210 nan 0.000 0.399 219 V N -0.009 119.795 119.914 -0.185 0.000 2.427 219 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 219 V C 2.383 178.326 176.094 -0.251 0.000 1.051 219 V CA 1.909 63.972 62.300 -0.395 0.000 1.048 219 V CB -0.618 30.768 31.823 -0.730 0.000 0.666 219 V HN 0.371 nan 8.190 nan 0.000 0.456 220 S N -0.098 115.497 115.700 -0.174 0.000 2.488 220 S HA -0.160 4.310 4.470 -0.001 0.000 0.246 220 S C 1.602 176.165 174.600 -0.062 0.000 0.992 220 S CA 0.834 58.969 58.200 -0.108 0.000 0.963 220 S CB -0.340 62.814 63.200 -0.076 0.000 0.754 220 S HN 0.479 nan 8.310 nan 0.000 0.519 221 K N 0.934 121.302 120.400 -0.053 0.000 2.665 221 K HA 0.035 4.355 4.320 -0.001 0.000 0.196 221 K C -0.653 175.858 176.600 -0.148 0.000 1.021 221 K CA 0.407 56.640 56.287 -0.090 0.000 1.066 221 K CB -0.593 31.849 32.500 -0.097 0.000 0.849 221 K HN 0.482 nan 8.250 nan 0.000 0.500 222 Y N 0.059 120.245 120.300 -0.191 0.000 2.747 222 Y HA 0.202 4.751 4.550 -0.000 0.000 0.362 222 Y C -1.658 174.149 175.900 -0.154 0.000 1.026 222 Y CA -2.580 55.411 58.100 -0.183 0.000 1.135 222 Y CB 1.281 39.591 38.460 -0.249 0.000 1.175 222 Y HN 0.035 nan 8.280 nan 0.000 0.643 223 P HA -0.316 nan 4.420 nan 0.000 0.224 223 P C 1.654 178.935 177.300 -0.032 0.000 1.153 223 P CA 2.950 66.022 63.100 -0.047 0.000 0.947 223 P CB -0.031 31.631 31.700 -0.064 0.000 0.790 224 T N -4.270 110.270 114.554 -0.022 0.000 3.219 224 T HA -0.029 4.321 4.350 -0.001 0.000 0.264 224 T C 0.529 175.213 174.700 -0.027 0.000 1.178 224 T CA 0.476 62.564 62.100 -0.021 0.000 1.057 224 T CB -1.111 67.748 68.868 -0.015 0.000 0.919 224 T HN -0.123 nan 8.240 nan 0.000 0.545 225 I N 1.238 121.787 120.570 -0.035 0.000 2.354 225 I HA 0.400 4.570 4.170 -0.001 0.000 0.292 225 I C 0.014 176.090 176.117 -0.068 0.000 0.989 225 I CA -0.926 60.333 61.300 -0.068 0.000 1.188 225 I CB 1.808 39.733 38.000 -0.125 0.000 1.342 225 I HN -0.168 nan 8.210 nan 0.000 0.457 226 K N 4.788 125.151 120.400 -0.061 0.000 2.292 226 K HA 0.532 4.851 4.320 -0.001 0.000 0.270 226 K C 0.048 176.611 176.600 -0.061 0.000 1.062 226 K CA -0.260 55.998 56.287 -0.049 0.000 0.916 226 K CB 1.435 33.917 32.500 -0.031 0.000 1.166 226 K HN 0.829 nan 8.250 nan 0.000 0.458 227 G N 2.703 111.460 108.800 -0.073 0.000 2.476 227 G HA2 0.553 4.513 3.960 -0.001 0.000 0.286 227 G HA3 0.553 4.513 3.960 -0.001 0.000 0.286 227 G C -0.292 174.563 174.900 -0.075 0.000 1.177 227 G CA -0.557 44.491 45.100 -0.087 0.000 0.870 227 G HN 0.545 nan 8.290 nan 0.000 0.528 228 I N 1.620 122.148 120.570 -0.071 0.000 2.493 228 I HA 0.138 4.307 4.170 -0.001 0.000 0.279 228 I C -0.310 175.770 176.117 -0.061 0.000 1.045 228 I CA -0.733 60.531 61.300 -0.060 0.000 1.106 228 I CB 1.683 39.674 38.000 -0.016 0.000 1.216 228 I HN 0.412 nan 8.210 nan 0.000 0.459 229 N N 6.944 125.527 118.700 -0.195 0.000 2.402 229 N HA 0.100 4.840 4.740 -0.001 0.000 0.259 229 N C -1.371 174.148 175.510 0.014 0.000 1.167 229 N CA -0.008 52.941 53.050 -0.168 0.000 0.949 229 N CB 0.599 38.804 38.487 -0.470 0.000 1.212 229 N HN 0.358 nan 8.380 nan 0.000 0.493 230 F N 3.932 123.841 119.950 -0.068 0.000 2.415 230 F HA 0.452 4.979 4.527 -0.001 0.000 0.348 230 F C -0.088 175.691 175.800 -0.034 0.000 1.119 230 F CA -0.448 57.528 58.000 -0.040 0.000 1.069 230 F CB 0.909 39.885 39.000 -0.040 0.000 1.124 230 F HN 0.418 nan 8.300 nan 0.000 0.472 231 D N 3.626 123.600 120.400 -0.709 0.000 3.145 231 D HA 0.307 4.947 4.640 -0.001 0.000 0.345 231 D C -1.239 174.681 176.300 -0.633 0.000 1.391 231 D CA -0.373 53.280 54.000 -0.579 0.000 0.930 231 D CB 1.315 41.967 40.800 -0.246 0.000 1.451 231 D HN 0.499 nan 8.370 nan 0.000 0.555 232 L N 1.497 122.480 121.223 -0.399 0.000 2.436 232 L HA 0.219 4.559 4.340 -0.001 0.000 0.265 232 L C -1.302 175.383 176.870 -0.309 0.000 1.168 232 L CA -1.300 53.349 54.840 -0.318 0.000 0.815 232 L CB 0.568 42.472 42.059 -0.258 0.000 1.109 232 L HN 0.331 nan 8.230 nan 0.000 0.462 233 P HA -0.255 nan 4.420 nan 0.000 0.214 233 P C 1.419 178.707 177.300 -0.022 0.000 1.172 233 P CA 1.752 64.851 63.100 -0.002 0.000 0.925 233 P CB -0.188 31.584 31.700 0.119 0.000 0.793 234 H N -1.337 117.738 119.070 0.008 0.000 2.422 234 H HA -0.050 4.506 4.556 -0.001 0.000 0.298 234 H C 1.707 177.044 175.328 0.015 0.000 1.098 234 H CA 1.277 57.334 56.048 0.015 0.000 1.315 234 H CB -1.638 28.139 29.762 0.025 0.000 1.382 234 H HN 0.009 nan 8.280 nan 0.000 0.523 235 V N 1.603 121.246 119.914 -0.450 0.000 2.515 235 V HA -0.167 3.953 4.120 -0.001 0.000 0.250 235 V C 2.714 178.748 176.094 -0.100 0.000 1.058 235 V CA 1.095 63.252 62.300 -0.238 0.000 1.064 235 V CB -0.328 31.323 31.823 -0.286 0.000 0.675 235 V HN 0.289 nan 8.190 nan 0.000 0.461 236 I N 0.755 121.271 120.570 -0.091 0.000 2.400 236 I HA -0.117 4.053 4.170 -0.001 0.000 0.248 236 I C 2.651 178.750 176.117 -0.030 0.000 1.109 236 I CA 1.344 62.635 61.300 -0.016 0.000 1.425 236 I CB -1.344 36.665 38.000 0.015 0.000 1.094 236 I HN 0.568 nan 8.210 nan 0.000 0.425 237 E N 1.716 121.904 120.200 -0.019 0.000 2.149 237 E HA -0.313 4.037 4.350 -0.001 0.000 0.215 237 E C 1.256 177.830 176.600 -0.043 0.000 1.055 237 E CA 2.261 58.652 56.400 -0.016 0.000 0.870 237 E CB -0.562 29.147 29.700 0.016 0.000 0.764 237 E HN 0.486 nan 8.360 nan 0.000 0.463 238 D N 1.515 121.892 120.400 -0.037 0.000 2.194 238 D HA 0.048 4.687 4.640 -0.001 0.000 0.204 238 D C 0.815 177.056 176.300 -0.099 0.000 0.964 238 D CA 0.924 54.894 54.000 -0.050 0.000 0.846 238 D CB -0.266 40.521 40.800 -0.021 0.000 0.962 238 D HN 0.373 nan 8.370 nan 0.000 0.490 239 A N 2.865 125.617 122.820 -0.114 0.000 2.624 239 A HA 0.032 4.351 4.320 -0.001 0.000 0.231 239 A C -2.003 175.385 177.584 -0.326 0.000 1.034 239 A CA -0.235 51.689 52.037 -0.189 0.000 0.754 239 A CB -0.283 18.608 19.000 -0.181 0.000 0.953 239 A HN 0.046 nan 8.150 nan 0.000 0.509 240 P HA 0.298 nan 4.420 nan 0.000 0.292 240 P C -0.392 176.594 177.300 -0.524 0.000 1.283 240 P CA -0.363 62.483 63.100 -0.424 0.000 0.835 240 P CB 1.430 32.847 31.700 -0.472 0.000 1.017 241 S N 3.238 118.696 115.700 -0.404 0.000 2.565 241 S HA 0.441 4.911 4.470 -0.001 0.000 0.276 241 S C -0.639 173.910 174.600 -0.085 0.000 1.326 241 S CA -0.237 57.838 58.200 -0.209 0.000 1.045 241 S CB 0.260 63.403 63.200 -0.095 0.000 0.918 241 S HN 0.530 nan 8.310 nan 0.000 0.505 242 Y N 0.548 120.889 120.300 0.067 0.000 2.625 242 Y HA 0.430 4.980 4.550 -0.001 0.000 0.338 242 Y C -2.266 173.657 175.900 0.038 0.000 1.123 242 Y CA -2.954 55.174 58.100 0.046 0.000 1.046 242 Y CB 2.146 40.636 38.460 0.050 0.000 1.299 242 Y HN 0.535 nan 8.280 nan 0.000 0.464 243 P HA -0.091 nan 4.420 nan 0.000 0.261 243 P C 0.560 177.883 177.300 0.039 0.000 1.165 243 P CA 1.622 64.751 63.100 0.048 0.000 0.759 243 P CB 0.321 32.000 31.700 -0.036 0.000 0.772 244 G N 1.812 110.628 108.800 0.026 0.000 2.244 244 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.274 244 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.274 244 G C 0.003 174.909 174.900 0.011 0.000 1.002 244 G CA 0.210 45.314 45.100 0.008 0.000 0.740 244 G HN 0.585 nan 8.290 nan 0.000 0.516 245 V N 0.143 120.088 119.914 0.052 0.000 2.444 245 V HA 0.553 4.673 4.120 -0.001 0.000 0.294 245 V C 0.151 176.301 176.094 0.093 0.000 1.022 245 V CA -0.816 61.508 62.300 0.041 0.000 0.850 245 V CB 1.893 33.757 31.823 0.068 0.000 0.992 245 V HN 0.437 nan 8.190 nan 0.000 0.426 246 E N 3.267 123.484 120.200 0.028 0.000 2.202 246 E HA 0.522 4.871 4.350 -0.001 0.000 0.272 246 E C -1.396 175.216 176.600 0.021 0.000 0.951 246 E CA -0.777 55.677 56.400 0.090 0.000 0.813 246 E CB 1.301 31.030 29.700 0.048 0.000 1.151 246 E HN 0.776 nan 8.360 nan 0.000 0.398 247 H N 1.596 120.684 119.070 0.029 0.000 2.587 247 H HA 0.369 4.925 4.556 -0.001 0.000 0.325 247 H C -0.707 174.652 175.328 0.051 0.000 1.012 247 H CA -0.433 55.635 56.048 0.033 0.000 1.213 247 H CB 1.438 31.204 29.762 0.006 0.000 1.431 247 H HN 0.134 nan 8.280 nan 0.000 0.492 248 V N 2.160 122.168 119.914 0.156 0.000 2.881 248 V HA 0.806 4.926 4.120 -0.001 0.000 0.316 248 V C 0.691 176.888 176.094 0.173 0.000 1.070 248 V CA -0.766 61.645 62.300 0.186 0.000 0.976 248 V CB 2.228 34.191 31.823 0.234 0.000 1.038 248 V HN 0.898 nan 8.190 nan 0.000 0.446 249 G N -0.263 108.627 108.800 0.150 0.000 2.571 249 G HA2 0.806 4.766 3.960 -0.001 0.000 0.304 249 G HA3 0.806 4.766 3.960 -0.001 0.000 0.304 249 G C -0.387 174.577 174.900 0.106 0.000 1.314 249 G CA 0.018 45.118 45.100 -0.001 0.000 0.975 249 G HN 1.253 nan 8.290 nan 0.000 0.485 250 G N -0.088 108.665 108.800 -0.078 0.000 2.435 250 G HA2 0.452 4.411 3.960 -0.001 0.000 0.228 250 G HA3 0.452 4.411 3.960 -0.001 0.000 0.228 250 G C -2.102 172.840 174.900 0.071 0.000 1.198 250 G CA -0.140 45.066 45.100 0.175 0.000 0.948 250 G HN 0.815 nan 8.290 nan 0.000 0.487 251 D N -0.006 120.584 120.400 0.315 0.000 2.575 251 D HA 0.395 5.035 4.640 -0.001 0.000 0.250 251 D C 1.639 178.128 176.300 0.314 0.000 1.279 251 D CA -0.374 53.776 54.000 0.251 0.000 0.925 251 D CB 1.160 42.087 40.800 0.212 0.000 1.261 251 D HN 0.600 nan 8.370 nan 0.000 0.567 252 M N 1.135 120.871 119.600 0.228 0.000 2.426 252 M HA -0.019 4.460 4.480 -0.001 0.000 0.261 252 M C 0.200 176.403 176.300 -0.161 0.000 1.068 252 M CA 1.389 56.695 55.300 0.011 0.000 1.066 252 M CB -0.439 31.986 32.600 -0.293 0.000 1.399 252 M HN 0.186 nan 8.290 nan 0.000 0.449 253 F N 0.022 120.006 119.950 0.058 0.000 2.789 253 F HA 0.131 4.657 4.527 -0.001 0.000 0.300 253 F C 1.807 177.639 175.800 0.053 0.000 1.132 253 F CA 0.072 58.100 58.000 0.047 0.000 1.404 253 F CB -0.076 38.913 39.000 -0.017 0.000 1.114 253 F HN -0.030 nan 8.300 nan 0.000 0.584 254 V N -2.432 117.604 119.914 0.203 0.000 2.599 254 V HA 0.168 4.287 4.120 -0.001 0.000 0.237 254 V C 0.671 176.820 176.094 0.090 0.000 1.081 254 V CA 0.612 62.996 62.300 0.141 0.000 1.107 254 V CB 0.255 32.160 31.823 0.136 0.000 0.808 254 V HN 0.096 nan 8.190 nan 0.000 0.486 255 S N -1.120 114.622 115.700 0.071 0.000 2.567 255 S HA 0.643 5.113 4.470 -0.001 0.000 0.270 255 S C -2.020 172.517 174.600 -0.106 0.000 1.152 255 S CA -0.513 57.688 58.200 0.002 0.000 0.835 255 S CB 1.557 64.758 63.200 0.002 0.000 1.115 255 S HN 0.097 nan 8.310 nan 0.000 0.459 256 I N 2.973 123.430 120.570 -0.188 0.000 2.474 256 I HA 0.446 4.616 4.170 -0.001 0.000 0.294 256 I C -2.369 173.519 176.117 -0.382 0.000 1.005 256 I CA -2.377 58.670 61.300 -0.423 0.000 1.113 256 I CB 1.191 39.037 38.000 -0.257 0.000 1.289 256 I HN 0.432 nan 8.210 nan 0.000 0.436 257 P HA 0.072 nan 4.420 nan 0.000 0.268 257 P C -0.283 176.906 177.300 -0.185 0.000 1.204 257 P CA -0.189 62.729 63.100 -0.302 0.000 0.768 257 P CB 0.456 31.972 31.700 -0.306 0.000 0.842 258 K N 2.074 122.406 120.400 -0.113 0.000 2.414 258 K HA 0.520 4.840 4.320 -0.001 0.000 0.272 258 K C 0.149 176.710 176.600 -0.064 0.000 0.993 258 K CA 0.317 56.558 56.287 -0.076 0.000 0.964 258 K CB 0.431 32.898 32.500 -0.054 0.000 0.925 258 K HN 0.604 nan 8.250 nan 0.000 0.487 259 A N 1.914 124.705 122.820 -0.049 0.000 2.549 259 A HA 0.217 4.536 4.320 -0.001 0.000 0.291 259 A C -0.382 177.188 177.584 -0.023 0.000 1.034 259 A CA -0.682 51.334 52.037 -0.035 0.000 0.655 259 A CB 0.484 19.464 19.000 -0.033 0.000 1.299 259 A HN 0.567 nan 8.150 nan 0.000 0.427 260 D N 0.056 120.446 120.400 -0.017 0.000 2.312 260 D HA 0.395 5.035 4.640 -0.001 0.000 0.211 260 D C 0.667 176.975 176.300 0.013 0.000 0.964 260 D CA 2.295 56.290 54.000 -0.009 0.000 0.877 260 D CB 0.302 41.094 40.800 -0.014 0.000 0.924 260 D HN 1.024 nan 8.370 nan 0.000 0.515 261 A N -0.800 122.036 122.820 0.027 0.000 2.608 261 A HA 0.582 4.902 4.320 -0.001 0.000 0.292 261 A C -1.498 176.131 177.584 0.075 0.000 1.066 261 A CA -0.684 51.392 52.037 0.064 0.000 0.676 261 A CB 1.250 20.302 19.000 0.088 0.000 1.277 261 A HN -0.113 nan 8.150 nan 0.000 0.413 262 V N 0.873 120.841 119.914 0.091 0.000 2.628 262 V HA 0.723 4.842 4.120 -0.001 0.000 0.306 262 V C -1.001 175.171 176.094 0.130 0.000 1.045 262 V CA -0.434 61.918 62.300 0.085 0.000 0.905 262 V CB 1.595 33.445 31.823 0.046 0.000 0.997 262 V HN 0.853 nan 8.190 nan 0.000 0.436 263 F N 3.697 123.626 119.950 -0.036 0.000 2.520 263 F HA 0.675 5.202 4.527 -0.000 0.000 0.322 263 F C 0.368 176.108 175.800 -0.101 0.000 1.103 263 F CA -0.601 57.355 58.000 -0.074 0.000 0.926 263 F CB 2.182 41.197 39.000 0.025 0.000 1.154 263 F HN 0.474 nan 8.300 nan 0.000 0.453 264 M N 2.055 121.212 119.600 -0.738 0.000 2.979 264 M HA 0.191 4.671 4.480 -0.001 0.000 0.221 264 M C -0.274 175.640 176.300 -0.643 0.000 1.769 264 M CA -0.089 54.906 55.300 -0.510 0.000 1.260 264 M CB 0.220 32.610 32.600 -0.350 0.000 1.227 264 M HN 0.465 nan 8.290 nan 0.000 0.587 265 K N 1.143 121.033 120.400 -0.850 0.000 6.244 265 K HA -0.213 4.107 4.320 -0.001 0.000 0.672 265 K C -1.618 174.745 176.600 -0.395 0.000 1.917 265 K CA 0.642 56.465 56.287 -0.774 0.000 1.561 265 K CB -0.437 31.488 32.500 -0.959 0.000 1.816 265 K HN 0.542 nan 8.250 nan 0.000 0.310 266 W N 2.603 123.724 121.300 -0.298 0.000 4.435 266 W HA -0.281 4.379 4.660 -0.000 0.000 0.351 266 W C 0.418 177.011 176.519 0.124 0.000 1.319 266 W CA 0.372 57.562 57.345 -0.259 0.000 0.791 266 W CB -2.328 27.072 29.460 -0.101 0.000 2.419 266 W HN 0.577 nan 8.180 nan 0.000 1.406 267 I N -1.891 118.868 120.570 0.314 0.000 3.300 267 I HA -0.086 4.083 4.170 -0.001 0.000 0.279 267 I C 2.228 178.751 176.117 0.676 0.000 1.172 267 I CA 0.962 62.529 61.300 0.444 0.000 1.431 267 I CB -1.067 36.999 38.000 0.109 0.000 1.240 267 I HN 0.008 nan 8.210 nan 0.000 0.453 268 C N 0.929 120.571 119.300 0.570 0.000 2.436 268 C HA -0.191 4.269 4.460 -0.001 0.000 0.277 268 C C 2.486 177.870 174.990 0.657 0.000 1.241 268 C CA 1.098 60.536 59.018 0.699 0.000 1.721 268 C CB -1.765 26.355 27.740 0.635 0.000 2.043 268 C HN 0.606 nan 8.230 nan 0.000 0.472 269 H N -0.532 118.790 119.070 0.420 0.000 2.602 269 H HA 0.022 4.578 4.556 -0.001 0.000 0.285 269 H C 0.799 176.249 175.328 0.204 0.000 1.093 269 H CA 0.639 56.859 56.048 0.288 0.000 1.201 269 H CB -0.308 29.613 29.762 0.265 0.000 1.294 269 H HN 0.395 nan 8.280 nan 0.000 0.633 270 D N -0.847 119.763 120.400 0.350 0.000 2.510 270 D HA 0.043 4.682 4.640 -0.001 0.000 0.234 270 D C -0.477 175.757 176.300 -0.111 0.000 1.178 270 D CA -0.023 53.988 54.000 0.017 0.000 0.816 270 D CB 0.507 41.299 40.800 -0.014 0.000 1.143 270 D HN 0.362 nan 8.370 nan 0.000 0.526 271 W N 1.381 122.864 121.300 0.303 0.000 2.882 271 W HA 0.345 5.005 4.660 -0.001 0.000 0.345 271 W C 0.448 177.090 176.519 0.205 0.000 1.125 271 W CA -0.737 56.806 57.345 0.331 0.000 1.167 271 W CB 1.360 31.163 29.460 0.571 0.000 1.431 271 W HN -0.243 nan 8.180 nan 0.000 0.543 272 S N 0.064 115.973 115.700 0.348 0.000 2.614 272 S HA 0.054 4.523 4.470 -0.001 0.000 0.265 272 S C 0.628 175.290 174.600 0.105 0.000 1.303 272 S CA -0.060 58.204 58.200 0.106 0.000 1.000 272 S CB 1.237 64.383 63.200 -0.089 0.000 0.935 272 S HN 0.370 nan 8.310 nan 0.000 0.551 273 D N 0.767 121.183 120.400 0.026 0.000 2.158 273 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 273 D C 1.751 178.051 176.300 0.000 0.000 0.995 273 D CA 1.802 55.804 54.000 0.004 0.000 0.846 273 D CB -0.391 40.392 40.800 -0.028 0.000 0.941 273 D HN 0.882 nan 8.370 nan 0.000 0.456 274 E N -0.068 120.122 120.200 -0.017 0.000 2.058 274 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 274 E C 1.784 178.474 176.600 0.150 0.000 0.997 274 E CA 1.208 57.619 56.400 0.018 0.000 0.801 274 E CB -0.091 29.582 29.700 -0.045 0.000 0.746 274 E HN 0.545 nan 8.360 nan 0.000 0.450 275 H N -1.045 118.110 119.070 0.142 0.000 2.395 275 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 275 H C 2.480 177.742 175.328 -0.111 0.000 1.070 275 H CA 0.700 56.887 56.048 0.231 0.000 1.356 275 H CB 0.019 30.078 29.762 0.496 0.000 1.401 275 H HN 0.279 nan 8.280 nan 0.000 0.524 276 C N 0.865 120.102 119.300 -0.104 0.000 2.401 276 C HA -0.167 4.293 4.460 -0.001 0.000 0.276 276 C C 2.737 177.281 174.990 -0.743 0.000 1.233 276 C CA 0.844 59.419 59.018 -0.739 0.000 1.753 276 C CB -0.955 26.689 27.740 -0.161 0.000 2.029 276 C HN 0.496 nan 8.230 nan 0.000 0.478 277 L N 0.366 121.428 121.223 -0.267 0.000 2.083 277 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 277 L C 2.600 179.396 176.870 -0.123 0.000 1.083 277 L CA 1.365 56.123 54.840 -0.138 0.000 0.752 277 L CB -0.576 41.457 42.059 -0.043 0.000 0.899 277 L HN 0.272 nan 8.230 nan 0.000 0.433 278 K N 1.018 121.364 120.400 -0.090 0.000 2.002 278 K HA -0.207 4.112 4.320 -0.001 0.000 0.209 278 K C 1.862 178.456 176.600 -0.010 0.000 1.048 278 K CA 1.955 58.259 56.287 0.027 0.000 0.930 278 K CB -0.442 32.187 32.500 0.216 0.000 0.714 278 K HN 0.311 nan 8.250 nan 0.000 0.438 279 F N -0.571 119.308 119.950 -0.118 0.000 2.558 279 F HA 0.184 4.711 4.527 -0.000 0.000 0.298 279 F C 1.409 177.175 175.800 -0.057 0.000 1.119 279 F CA 0.458 58.306 58.000 -0.253 0.000 1.451 279 F CB -0.678 37.925 39.000 -0.662 0.000 1.091 279 F HN -0.090 nan 8.300 nan 0.000 0.563 280 L N 0.342 121.527 121.223 -0.062 0.000 2.156 280 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 280 L C 2.372 179.453 176.870 0.351 0.000 1.095 280 L CA 1.117 56.083 54.840 0.211 0.000 0.770 280 L CB -0.517 41.617 42.059 0.125 0.000 0.914 280 L HN 0.114 nan 8.230 nan 0.000 0.439 281 K N -0.273 120.236 120.400 0.181 0.000 2.217 281 K HA -0.085 4.235 4.320 -0.001 0.000 0.202 281 K C 1.735 178.443 176.600 0.181 0.000 1.051 281 K CA 0.829 57.205 56.287 0.148 0.000 0.952 281 K CB -0.018 32.507 32.500 0.043 0.000 0.736 281 K HN 0.261 nan 8.250 nan 0.000 0.453 282 N N 0.554 119.350 118.700 0.161 0.000 2.270 282 N HA -0.096 4.643 4.740 -0.001 0.000 0.181 282 N C 1.679 177.275 175.510 0.145 0.000 1.016 282 N CA 0.838 53.962 53.050 0.123 0.000 0.870 282 N CB -0.436 38.097 38.487 0.076 0.000 0.979 282 N HN 0.159 nan 8.380 nan 0.000 0.431 283 C N 0.239 119.679 119.300 0.232 0.000 2.425 283 C HA -0.102 4.357 4.460 -0.001 0.000 0.277 283 C C 2.477 177.651 174.990 0.307 0.000 1.280 283 C CA 0.046 59.216 59.018 0.254 0.000 1.744 283 C CB -1.278 26.666 27.740 0.340 0.000 1.989 283 C HN 0.447 nan 8.230 nan 0.000 0.491 284 Y N 2.105 122.549 120.300 0.239 0.000 2.128 284 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 284 Y C 2.497 178.356 175.900 -0.069 0.000 1.154 284 Y CA 1.894 59.938 58.100 -0.093 0.000 1.149 284 Y CB -0.256 37.972 38.460 -0.387 0.000 0.976 284 Y HN 0.292 nan 8.280 nan 0.000 0.505 285 E N 0.000 120.291 120.200 0.152 0.000 2.204 285 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 285 E C 2.219 178.807 176.600 -0.020 0.000 0.990 285 E CA 1.000 57.440 56.400 0.066 0.000 0.821 285 E CB -0.475 29.275 29.700 0.083 0.000 0.750 285 E HN 0.583 nan 8.360 nan 0.000 0.477 286 A N 0.621 123.431 122.820 -0.016 0.000 2.119 286 A HA 0.059 4.379 4.320 -0.001 0.000 0.216 286 A C 1.301 178.851 177.584 -0.058 0.000 1.152 286 A CA 0.193 52.203 52.037 -0.045 0.000 0.708 286 A CB -0.086 18.881 19.000 -0.056 0.000 0.805 286 A HN 0.071 nan 8.150 nan 0.000 0.460 287 L N 1.085 122.258 121.223 -0.084 0.000 2.357 287 L HA 0.324 4.663 4.340 -0.001 0.000 0.273 287 L C -1.840 174.946 176.870 -0.140 0.000 1.080 287 L CA -2.344 52.438 54.840 -0.097 0.000 0.803 287 L CB 1.159 43.167 42.059 -0.086 0.000 1.174 287 L HN 0.103 nan 8.230 nan 0.000 0.443 288 P HA 0.035 nan 4.420 nan 0.000 0.293 288 P C -0.325 176.904 177.300 -0.118 0.000 1.298 288 P CA -0.316 62.732 63.100 -0.087 0.000 0.757 288 P CB 0.748 32.417 31.700 -0.051 0.000 1.262 289 D N -0.552 119.797 120.400 -0.085 0.000 2.263 289 D HA -0.131 4.508 4.640 -0.001 0.000 0.208 289 D C 1.069 177.333 176.300 -0.060 0.000 0.971 289 D CA 1.531 55.483 54.000 -0.080 0.000 0.867 289 D CB -0.453 40.322 40.800 -0.041 0.000 0.929 289 D HN 0.533 nan 8.370 nan 0.000 0.492 290 N N -0.389 118.288 118.700 -0.038 0.000 2.204 290 N HA 0.145 4.884 4.740 -0.001 0.000 0.219 290 N C 0.899 176.415 175.510 0.010 0.000 1.151 290 N CA -0.255 52.792 53.050 -0.006 0.000 0.867 290 N CB 0.326 38.814 38.487 0.003 0.000 1.043 290 N HN -0.101 nan 8.380 nan 0.000 0.516 291 G N 0.769 109.562 108.800 -0.011 0.000 2.590 291 G HA2 0.334 4.293 3.960 -0.001 0.000 0.276 291 G HA3 0.334 4.293 3.960 -0.001 0.000 0.276 291 G C -0.406 174.558 174.900 0.107 0.000 1.337 291 G CA -0.317 44.800 45.100 0.028 0.000 1.030 291 G HN 0.559 nan 8.290 nan 0.000 0.534 292 K N -2.891 117.597 120.400 0.146 0.000 2.610 292 K HA 0.456 4.776 4.320 -0.001 0.000 0.278 292 K C -1.962 174.723 176.600 0.142 0.000 0.964 292 K CA -0.934 55.474 56.287 0.202 0.000 0.859 292 K CB 1.498 34.091 32.500 0.156 0.000 1.434 292 K HN 0.312 nan 8.250 nan 0.000 0.410 293 V N 2.853 122.800 119.914 0.056 0.000 2.398 293 V HA 0.399 4.519 4.120 -0.001 0.000 0.286 293 V C -0.147 175.809 176.094 -0.230 0.000 1.026 293 V CA -0.743 61.483 62.300 -0.123 0.000 0.868 293 V CB 1.157 32.775 31.823 -0.341 0.000 0.982 293 V HN 0.619 nan 8.190 nan 0.000 0.443 294 I N 5.521 125.993 120.570 -0.164 0.000 2.291 294 I HA 0.316 4.486 4.170 -0.001 0.000 0.290 294 I C -0.373 175.455 176.117 -0.481 0.000 1.050 294 I CA -0.365 60.812 61.300 -0.205 0.000 1.245 294 I CB 1.269 39.299 38.000 0.051 0.000 1.405 294 I HN 0.297 nan 8.210 nan 0.000 0.478 295 V N 5.867 125.411 119.914 -0.617 0.000 2.394 295 V HA 0.593 4.713 4.120 -0.001 0.000 0.282 295 V C 0.428 176.166 176.094 -0.592 0.000 1.031 295 V CA -0.563 61.314 62.300 -0.705 0.000 0.881 295 V CB 1.461 32.764 31.823 -0.867 0.000 0.982 295 V HN 0.796 nan 8.190 nan 0.000 0.451 296 A N 4.822 127.272 122.820 -0.618 0.000 2.277 296 A HA 0.834 5.154 4.320 -0.001 0.000 0.318 296 A C -0.273 177.137 177.584 -0.289 0.000 1.339 296 A CA -0.435 51.334 52.037 -0.446 0.000 0.875 296 A CB 0.451 19.144 19.000 -0.512 0.000 1.158 296 A HN 0.735 nan 8.150 nan 0.000 0.514 297 E N 0.630 120.733 120.200 -0.162 0.000 2.430 297 E HA 0.290 4.639 4.350 -0.001 0.000 0.279 297 E C -1.295 175.378 176.600 0.123 0.000 1.003 297 E CA -0.455 55.943 56.400 -0.003 0.000 0.801 297 E CB 1.801 31.447 29.700 -0.090 0.000 1.313 297 E HN 0.563 nan 8.360 nan 0.000 0.459 298 C N 1.666 121.100 119.300 0.224 0.000 2.527 298 C HA 0.444 4.904 4.460 -0.001 0.000 0.396 298 C C 0.658 175.814 174.990 0.276 0.000 1.289 298 C CA -0.321 58.858 59.018 0.268 0.000 2.047 298 C CB -0.813 27.074 27.740 0.246 0.000 2.568 298 C HN 0.380 nan 8.230 nan 0.000 0.573 299 I N 4.389 125.060 120.570 0.169 0.000 2.353 299 I HA 0.250 4.419 4.170 -0.001 0.000 0.293 299 I C -0.119 176.043 176.117 0.076 0.000 0.992 299 I CA -0.447 60.917 61.300 0.107 0.000 1.268 299 I CB 0.980 38.836 38.000 -0.240 0.000 1.387 299 I HN 0.358 nan 8.210 nan 0.000 0.478 300 L N 10.095 131.380 121.223 0.104 0.000 2.276 300 L HA 0.483 4.822 4.340 -0.001 0.000 0.286 300 L C -2.088 174.798 176.870 0.026 0.000 1.061 300 L CA -1.769 53.109 54.840 0.064 0.000 0.807 300 L CB 0.531 42.624 42.059 0.055 0.000 1.177 300 L HN 0.330 nan 8.230 nan 0.000 0.429 301 P HA 0.066 nan 4.420 nan 0.000 0.274 301 P C 0.617 177.924 177.300 0.011 0.000 1.246 301 P CA -0.299 62.808 63.100 0.012 0.000 0.795 301 P CB 1.280 32.995 31.700 0.024 0.000 1.006 302 V N 0.630 120.546 119.914 0.004 0.000 2.407 302 V HA -0.054 4.066 4.120 -0.001 0.000 0.245 302 V C 1.406 177.504 176.094 0.007 0.000 1.041 302 V CA 2.018 64.318 62.300 0.000 0.000 1.040 302 V CB -1.032 30.788 31.823 -0.006 0.000 0.671 302 V HN 0.697 nan 8.190 nan 0.000 0.455 303 A N 0.443 123.270 122.820 0.011 0.000 2.306 303 A HA 0.687 5.007 4.320 -0.001 0.000 0.314 303 A C -2.507 175.090 177.584 0.022 0.000 1.164 303 A CA -1.352 50.695 52.037 0.015 0.000 0.822 303 A CB 0.292 19.300 19.000 0.015 0.000 1.130 303 A HN 0.254 nan 8.150 nan 0.000 0.496 304 P HA 0.453 nan 4.420 nan 0.000 0.274 304 P C -1.114 176.204 177.300 0.031 0.000 1.231 304 P CA 0.015 63.134 63.100 0.032 0.000 0.790 304 P CB 0.775 32.496 31.700 0.035 0.000 0.951 305 D N -2.672 117.748 120.400 0.034 0.000 2.599 305 D HA 0.255 4.894 4.640 -0.001 0.000 0.252 305 D C -0.077 176.241 176.300 0.030 0.000 1.232 305 D CA -0.768 53.250 54.000 0.029 0.000 0.819 305 D CB 0.292 41.108 40.800 0.026 0.000 1.401 305 D HN 0.106 nan 8.370 nan 0.000 0.429 306 S N -0.595 115.117 115.700 0.021 0.000 2.593 306 S HA 0.136 4.605 4.470 -0.001 0.000 0.217 306 S C 0.682 175.286 174.600 0.007 0.000 0.966 306 S CA -0.054 58.157 58.200 0.018 0.000 0.914 306 S CB -0.940 62.262 63.200 0.004 0.000 0.776 306 S HN 0.703 nan 8.310 nan 0.000 0.523 307 S N 1.049 116.754 115.700 0.008 0.000 2.579 307 S HA 0.324 4.794 4.470 -0.001 0.000 0.275 307 S C 1.087 175.684 174.600 -0.004 0.000 1.345 307 S CA -0.741 57.461 58.200 0.003 0.000 1.031 307 S CB 0.298 63.507 63.200 0.016 0.000 0.892 307 S HN 0.364 nan 8.310 nan 0.000 0.529 308 L N 1.620 122.833 121.223 -0.016 0.000 2.131 308 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 308 L C 2.980 179.825 176.870 -0.041 0.000 1.092 308 L CA 1.475 56.289 54.840 -0.043 0.000 0.759 308 L CB -1.055 40.975 42.059 -0.048 0.000 0.903 308 L HN 0.964 nan 8.230 nan 0.000 0.435 309 A N -0.366 122.455 122.820 0.002 0.000 1.877 309 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 309 A C 2.360 179.972 177.584 0.046 0.000 1.186 309 A CA 2.400 54.461 52.037 0.040 0.000 0.620 309 A CB -0.924 18.126 19.000 0.083 0.000 0.822 309 A HN 0.360 nan 8.150 nan 0.000 0.443 310 T N -0.051 114.528 114.554 0.042 0.000 2.746 310 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 310 T C 1.919 176.637 174.700 0.030 0.000 1.039 310 T CA 1.724 63.852 62.100 0.047 0.000 1.142 310 T CB -0.204 68.691 68.868 0.044 0.000 0.866 310 T HN 0.530 nan 8.240 nan 0.000 0.444 311 K N 0.543 120.937 120.400 -0.009 0.000 2.097 311 K HA -0.026 4.294 4.320 -0.001 0.000 0.206 311 K C 2.589 179.073 176.600 -0.193 0.000 1.049 311 K CA 1.085 57.338 56.287 -0.057 0.000 0.933 311 K CB -0.431 32.002 32.500 -0.112 0.000 0.717 311 K HN 0.372 nan 8.250 nan 0.000 0.442 312 G N 0.858 109.557 108.800 -0.167 0.000 2.418 312 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 312 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 312 G C 1.509 176.408 174.900 -0.002 0.000 1.158 312 G CA 0.828 45.839 45.100 -0.148 0.000 0.771 312 G HN 0.236 nan 8.290 nan 0.000 0.545 313 V N 0.350 120.298 119.914 0.056 0.000 2.379 313 V HA -0.095 4.025 4.120 -0.001 0.000 0.245 313 V C 2.954 179.120 176.094 0.119 0.000 1.044 313 V CA 1.782 64.148 62.300 0.109 0.000 1.036 313 V CB -0.179 31.719 31.823 0.124 0.000 0.664 313 V HN 0.180 nan 8.190 nan 0.000 0.453 314 V N 0.229 120.212 119.914 0.116 0.000 2.490 314 V HA -0.267 3.853 4.120 -0.001 0.000 0.250 314 V C 2.331 178.538 176.094 0.187 0.000 1.061 314 V CA 2.406 64.785 62.300 0.132 0.000 1.064 314 V CB -1.134 30.764 31.823 0.125 0.000 0.670 314 V HN 0.694 nan 8.190 nan 0.000 0.461 315 H N -0.441 118.651 119.070 0.038 0.000 2.319 315 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 315 H C 2.361 177.718 175.328 0.049 0.000 1.092 315 H CA 1.704 57.773 56.048 0.035 0.000 1.302 315 H CB 0.108 29.883 29.762 0.021 0.000 1.373 315 H HN 0.289 nan 8.280 nan 0.000 0.497 316 I N 0.832 121.509 120.570 0.177 0.000 2.226 316 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 316 I C 2.193 178.343 176.117 0.055 0.000 1.100 316 I CA 1.302 62.659 61.300 0.095 0.000 1.374 316 I CB -1.116 36.934 38.000 0.083 0.000 1.057 316 I HN 0.276 nan 8.210 nan 0.000 0.413 317 D N 1.178 121.621 120.400 0.072 0.000 2.123 317 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 317 D C 2.161 178.477 176.300 0.026 0.000 0.992 317 D CA 1.815 55.840 54.000 0.041 0.000 0.833 317 D CB 0.210 41.044 40.800 0.056 0.000 0.954 317 D HN 0.243 nan 8.370 nan 0.000 0.455 318 V N -1.328 118.623 119.914 0.061 0.000 2.591 318 V HA -0.036 4.083 4.120 -0.001 0.000 0.249 318 V C 2.355 178.500 176.094 0.085 0.000 1.053 318 V CA 0.892 63.244 62.300 0.087 0.000 1.068 318 V CB -0.700 31.193 31.823 0.116 0.000 0.689 318 V HN 0.225 nan 8.190 nan 0.000 0.462 319 I N -0.555 120.059 120.570 0.074 0.000 2.286 319 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 319 I C 2.615 178.591 176.117 -0.234 0.000 1.115 319 I CA 2.163 63.438 61.300 -0.040 0.000 1.392 319 I CB -0.230 37.815 38.000 0.075 0.000 1.065 319 I HN 0.323 nan 8.210 nan 0.000 0.418 320 M N 0.280 119.804 119.600 -0.126 0.000 2.117 320 M HA -0.200 4.280 4.480 -0.001 0.000 0.262 320 M C 2.049 178.249 176.300 -0.166 0.000 1.065 320 M CA 1.740 56.954 55.300 -0.144 0.000 1.114 320 M CB -0.452 32.075 32.600 -0.121 0.000 1.361 320 M HN 0.173 nan 8.290 nan 0.000 0.408 321 L N -0.055 121.086 121.223 -0.137 0.000 2.079 321 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 321 L C 2.166 178.902 176.870 -0.224 0.000 1.081 321 L CA 2.215 56.982 54.840 -0.122 0.000 0.752 321 L CB -1.012 41.017 42.059 -0.049 0.000 0.896 321 L HN 0.287 nan 8.230 nan 0.000 0.433 322 A N -1.796 120.749 122.820 -0.459 0.000 1.930 322 A HA -0.100 4.220 4.320 -0.001 0.000 0.215 322 A C 1.807 179.034 177.584 -0.595 0.000 1.176 322 A CA 1.511 53.090 52.037 -0.763 0.000 0.632 322 A CB -0.553 17.465 19.000 -1.636 0.000 0.819 322 A HN 0.710 nan 8.150 nan 0.000 0.445 323 H N -1.475 117.445 119.070 -0.250 0.000 3.241 323 H HA 0.103 4.659 4.556 -0.000 0.000 0.260 323 H C 0.186 175.423 175.328 -0.152 0.000 1.084 323 H CA -0.042 55.865 56.048 -0.235 0.000 1.203 323 H CB -0.536 28.960 29.762 -0.442 0.000 1.524 323 H HN 0.683 nan 8.280 nan 0.000 0.521 324 N N 3.252 121.918 118.700 -0.057 0.000 2.445 324 N HA 0.067 4.807 4.740 -0.001 0.000 0.264 324 N C -1.523 173.966 175.510 -0.035 0.000 1.227 324 N CA -1.286 51.735 53.050 -0.048 0.000 0.963 324 N CB 1.588 40.020 38.487 -0.092 0.000 1.188 324 N HN -0.157 nan 8.380 nan 0.000 0.491 325 P HA 0.143 nan 4.420 nan 0.000 0.214 325 P C 0.434 177.706 177.300 -0.047 0.000 1.163 325 P CA 1.415 64.488 63.100 -0.045 0.000 0.881 325 P CB 0.143 31.795 31.700 -0.080 0.000 0.775 326 G N -0.878 107.885 108.800 -0.061 0.000 4.385 326 G HA2 0.368 4.327 3.960 -0.001 0.000 0.283 326 G HA3 0.368 4.327 3.960 -0.001 0.000 0.283 326 G C 0.503 175.383 174.900 -0.034 0.000 1.020 326 G CA 0.155 45.231 45.100 -0.041 0.000 0.790 326 G HN 0.473 nan 8.290 nan 0.000 0.420 327 G N 0.772 109.533 108.800 -0.064 0.000 2.569 327 G HA2 0.548 4.508 3.960 -0.001 0.000 0.249 327 G HA3 0.548 4.508 3.960 -0.001 0.000 0.249 327 G C -0.148 174.726 174.900 -0.044 0.000 1.216 327 G CA -0.025 45.040 45.100 -0.059 0.000 0.845 327 G HN 0.720 nan 8.290 nan 0.000 0.568 328 K N -0.298 120.093 120.400 -0.015 0.000 2.703 328 K HA 0.317 4.636 4.320 -0.001 0.000 0.285 328 K C -1.415 175.217 176.600 0.053 0.000 1.014 328 K CA -0.996 55.290 56.287 -0.002 0.000 0.858 328 K CB 1.151 33.647 32.500 -0.006 0.000 1.467 328 K HN 0.319 nan 8.250 nan 0.000 0.383 329 E N 1.483 121.721 120.200 0.062 0.000 2.318 329 E HA 0.422 4.772 4.350 -0.001 0.000 0.265 329 E C -0.551 176.058 176.600 0.017 0.000 1.069 329 E CA -0.593 55.880 56.400 0.122 0.000 0.893 329 E CB 1.301 31.086 29.700 0.142 0.000 1.076 329 E HN 0.466 nan 8.360 nan 0.000 0.414 330 R N -0.219 120.254 120.500 -0.046 0.000 2.888 330 R HA 0.462 4.802 4.340 -0.001 0.000 0.266 330 R C 0.148 176.370 176.300 -0.130 0.000 1.020 330 R CA -0.718 55.226 56.100 -0.261 0.000 0.963 330 R CB 1.769 31.593 30.300 -0.794 0.000 1.197 330 R HN 0.422 nan 8.270 nan 0.000 0.481 331 T N -0.640 113.832 114.554 -0.137 0.000 2.862 331 T HA 0.010 4.359 4.350 -0.001 0.000 0.276 331 T C 1.107 175.839 174.700 0.053 0.000 0.974 331 T CA -0.208 61.879 62.100 -0.021 0.000 0.966 331 T CB 1.438 70.281 68.868 -0.043 0.000 1.072 331 T HN 0.628 nan 8.240 nan 0.000 0.538 332 Q N 0.772 120.628 119.800 0.093 0.000 2.084 332 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 332 Q C 2.119 178.105 176.000 -0.023 0.000 0.978 332 Q CA 1.709 57.601 55.803 0.148 0.000 0.844 332 Q CB -0.144 28.646 28.738 0.087 0.000 0.898 332 Q HN 0.684 nan 8.270 nan 0.000 0.426 333 K N 0.192 120.541 120.400 -0.085 0.000 2.097 333 K HA -0.180 4.140 4.320 -0.001 0.000 0.206 333 K C 1.654 178.140 176.600 -0.191 0.000 1.049 333 K CA 1.589 57.779 56.287 -0.161 0.000 0.933 333 K CB 0.069 32.503 32.500 -0.110 0.000 0.717 333 K HN 0.306 nan 8.250 nan 0.000 0.442 334 E N -0.624 119.473 120.200 -0.172 0.000 2.150 334 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 334 E C 1.751 178.208 176.600 -0.239 0.000 0.985 334 E CA 0.962 57.229 56.400 -0.221 0.000 0.814 334 E CB -0.054 29.485 29.700 -0.270 0.000 0.752 334 E HN 0.326 nan 8.360 nan 0.000 0.466 335 F N 1.092 120.972 119.950 -0.117 0.000 2.206 335 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 335 F C 2.618 178.175 175.800 -0.404 0.000 1.090 335 F CA 0.546 58.513 58.000 -0.055 0.000 1.323 335 F CB 0.253 39.355 39.000 0.171 0.000 1.028 335 F HN -0.056 nan 8.300 nan 0.000 0.492 336 E N 0.704 120.550 120.200 -0.590 0.000 2.110 336 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 336 E C 1.587 177.909 176.600 -0.463 0.000 0.988 336 E CA 1.362 57.184 56.400 -0.963 0.000 0.804 336 E CB -0.250 28.850 29.700 -1.000 0.000 0.745 336 E HN 0.353 nan 8.360 nan 0.000 0.458 337 D N 0.258 120.479 120.400 -0.298 0.000 2.144 337 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 337 D C 2.173 178.386 176.300 -0.144 0.000 0.978 337 D CA 0.545 54.432 54.000 -0.187 0.000 0.833 337 D CB -0.232 40.481 40.800 -0.144 0.000 0.961 337 D HN 0.214 nan 8.370 nan 0.000 0.470 338 L N 0.560 121.706 121.223 -0.128 0.000 2.056 338 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 338 L C 2.530 179.361 176.870 -0.065 0.000 1.078 338 L CA 1.089 55.902 54.840 -0.045 0.000 0.749 338 L CB -0.426 41.677 42.059 0.074 0.000 0.901 338 L HN -0.025 nan 8.230 nan 0.000 0.433 339 A N 0.188 122.823 122.820 -0.308 0.000 1.883 339 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 339 A C 2.336 179.905 177.584 -0.025 0.000 1.186 339 A CA 1.771 53.532 52.037 -0.460 0.000 0.624 339 A CB -0.387 17.959 19.000 -1.090 0.000 0.822 339 A HN 0.305 nan 8.150 nan 0.000 0.444 340 K N -0.953 119.392 120.400 -0.093 0.000 2.097 340 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 340 K C 2.093 178.684 176.600 -0.015 0.000 1.049 340 K CA 1.008 57.279 56.287 -0.027 0.000 0.933 340 K CB -0.426 32.031 32.500 -0.073 0.000 0.717 340 K HN 0.486 nan 8.250 nan 0.000 0.442 341 G N 1.031 109.815 108.800 -0.026 0.000 2.432 341 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.219 341 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.219 341 G C 1.396 176.293 174.900 -0.006 0.000 1.135 341 G CA 0.840 45.926 45.100 -0.025 0.000 0.767 341 G HN 0.349 nan 8.290 nan 0.000 0.550 342 A N -0.395 122.476 122.820 0.085 0.000 2.251 342 A HA 0.483 4.803 4.320 -0.001 0.000 0.209 342 A C 1.963 179.493 177.584 -0.090 0.000 1.187 342 A CA 1.189 53.305 52.037 0.132 0.000 0.823 342 A CB -0.435 18.836 19.000 0.452 0.000 0.846 342 A HN 1.548 nan 8.150 nan 0.000 0.486 343 G N -1.832 106.898 108.800 -0.116 0.000 2.159 343 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.256 343 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.256 343 G C 0.474 175.237 174.900 -0.228 0.000 0.977 343 G CA 0.382 45.279 45.100 -0.338 0.000 0.652 343 G HN 0.414 nan 8.290 nan 0.000 0.531 344 F N 1.349 121.350 119.950 0.085 0.000 2.546 344 F HA 0.007 4.533 4.527 -0.001 0.000 0.298 344 F C 2.413 178.311 175.800 0.163 0.000 1.120 344 F CA 1.759 59.910 58.000 0.252 0.000 1.456 344 F CB 0.039 39.179 39.000 0.234 0.000 1.088 344 F HN 0.592 nan 8.300 nan 0.000 0.572 345 Q N -0.191 119.724 119.800 0.192 0.000 2.334 345 Q HA -0.230 4.109 4.340 -0.001 0.000 0.231 345 Q C -0.012 176.078 176.000 0.150 0.000 0.887 345 Q CA 1.406 57.285 55.803 0.127 0.000 1.261 345 Q CB -2.352 26.442 28.738 0.094 0.000 1.788 345 Q HN 0.496 nan 8.270 nan 0.000 0.560 346 G N 0.242 109.170 108.800 0.214 0.000 2.739 346 G HA2 0.543 4.503 3.960 -0.001 0.000 0.292 346 G HA3 0.543 4.503 3.960 -0.001 0.000 0.292 346 G C -1.885 173.151 174.900 0.227 0.000 1.444 346 G CA -0.427 44.790 45.100 0.195 0.000 1.144 346 G HN 0.208 nan 8.290 nan 0.000 0.550 347 F N 1.895 121.846 119.950 0.001 0.000 2.593 347 F HA 0.901 5.427 4.527 -0.000 0.000 0.320 347 F C -0.637 175.142 175.800 -0.034 0.000 1.060 347 F CA -1.245 56.726 58.000 -0.049 0.000 0.940 347 F CB 2.823 41.753 39.000 -0.115 0.000 1.268 347 F HN 0.465 nan 8.300 nan 0.000 0.475 348 K N 3.667 123.508 120.400 -0.932 0.000 2.579 348 K HA 0.420 4.740 4.320 -0.001 0.000 0.283 348 K C -2.375 173.657 176.600 -0.946 0.000 1.069 348 K CA -0.319 55.552 56.287 -0.693 0.000 0.977 348 K CB 0.854 33.107 32.500 -0.411 0.000 1.334 348 K HN 0.430 nan 8.250 nan 0.000 0.462 349 V N 5.891 125.389 119.914 -0.692 0.000 2.583 349 V HA 0.376 4.496 4.120 -0.001 0.000 0.287 349 V C 0.658 176.534 176.094 -0.364 0.000 1.051 349 V CA -0.246 61.799 62.300 -0.425 0.000 1.010 349 V CB 0.923 32.699 31.823 -0.079 0.000 0.988 349 V HN 0.757 nan 8.190 nan 0.000 0.478 350 H N 2.033 121.054 119.070 -0.081 0.000 3.547 350 H HA 0.387 4.943 4.556 -0.000 0.000 0.202 350 H C 0.790 176.098 175.328 -0.033 0.000 1.614 350 H CA -0.122 55.899 56.048 -0.045 0.000 1.663 350 H CB 0.512 30.229 29.762 -0.074 0.000 1.038 350 H HN 0.905 nan 8.280 nan 0.000 0.903 351 C N 1.393 120.765 119.300 0.120 0.000 2.867 351 C HA 0.092 4.552 4.460 -0.001 0.000 0.385 351 C C 0.945 175.812 174.990 -0.206 0.000 1.270 351 C CA -0.725 58.276 59.018 -0.028 0.000 2.000 351 C CB -0.713 27.014 27.740 -0.021 0.000 2.664 351 C HN 0.704 nan 8.230 nan 0.000 0.730 352 N N 1.337 119.850 118.700 -0.311 0.000 2.479 352 N HA 0.508 5.247 4.740 -0.001 0.000 0.261 352 N C -0.826 174.477 175.510 -0.344 0.000 0.979 352 N CA -0.006 52.690 53.050 -0.590 0.000 0.930 352 N CB 1.471 39.599 38.487 -0.598 0.000 1.172 352 N HN 1.073 nan 8.380 nan 0.000 0.499 353 A N 4.469 127.111 122.820 -0.296 0.000 2.394 353 A HA 0.463 4.783 4.320 -0.001 0.000 0.333 353 A C -0.142 177.403 177.584 -0.065 0.000 1.397 353 A CA -0.624 51.264 52.037 -0.248 0.000 0.884 353 A CB -0.766 18.106 19.000 -0.214 0.000 1.147 353 A HN 0.815 nan 8.150 nan 0.000 0.505 354 F N 1.792 121.706 119.950 -0.060 0.000 2.797 354 F HA -0.347 4.179 4.527 -0.001 0.000 0.273 354 F C 1.204 177.009 175.800 0.008 0.000 1.020 354 F CA 0.840 58.820 58.000 -0.032 0.000 0.961 354 F CB -1.351 37.645 39.000 -0.008 0.000 1.020 354 F HN 1.002 nan 8.300 nan 0.000 0.840 355 N N -1.437 117.359 118.700 0.160 0.000 2.951 355 N HA -0.213 4.527 4.740 -0.001 0.000 0.218 355 N C 0.073 175.728 175.510 0.241 0.000 0.858 355 N CA 1.310 54.468 53.050 0.179 0.000 1.050 355 N CB -0.452 38.139 38.487 0.173 0.000 1.012 355 N HN 0.371 nan 8.380 nan 0.000 0.611 356 T N 1.108 115.770 114.554 0.181 0.000 2.743 356 T HA 0.350 4.700 4.350 -0.001 0.000 0.293 356 T C -0.654 174.077 174.700 0.051 0.000 0.945 356 T CA -0.033 62.187 62.100 0.199 0.000 1.030 356 T CB 0.460 69.452 68.868 0.206 0.000 0.912 356 T HN 0.109 nan 8.240 nan 0.000 0.483 357 Y N 2.319 122.607 120.300 -0.021 0.000 2.376 357 Y HA 0.476 5.025 4.550 -0.000 0.000 0.325 357 Y C 0.471 176.252 175.900 -0.199 0.000 1.199 357 Y CA -1.540 56.508 58.100 -0.086 0.000 1.206 357 Y CB 0.803 39.229 38.460 -0.058 0.000 1.229 357 Y HN 0.370 nan 8.280 nan 0.000 0.480 358 I N 4.133 124.629 120.570 -0.122 0.000 2.359 358 I HA 0.280 4.450 4.170 -0.001 0.000 0.284 358 I C -0.409 175.540 176.117 -0.280 0.000 1.018 358 I CA -0.633 60.464 61.300 -0.339 0.000 1.173 358 I CB 0.275 37.873 38.000 -0.670 0.000 1.326 358 I HN 0.590 nan 8.210 nan 0.000 0.462 359 M N 4.820 124.232 119.600 -0.313 0.000 2.342 359 M HA 0.351 4.831 4.480 -0.001 0.000 0.332 359 M C 0.053 176.184 176.300 -0.282 0.000 1.166 359 M CA -0.283 54.824 55.300 -0.322 0.000 1.086 359 M CB 1.575 34.060 32.600 -0.192 0.000 1.541 359 M HN 0.351 nan 8.290 nan 0.000 0.462 360 E N 1.788 121.825 120.200 -0.271 0.000 2.186 360 E HA 0.316 4.666 4.350 -0.001 0.000 0.255 360 E C -1.612 175.054 176.600 0.110 0.000 0.881 360 E CA -0.429 55.935 56.400 -0.060 0.000 0.752 360 E CB 0.978 30.712 29.700 0.057 0.000 1.176 360 E HN 0.362 nan 8.360 nan 0.000 0.421 361 F N 4.638 124.472 119.950 -0.193 0.000 2.405 361 F HA 0.228 4.755 4.527 -0.000 0.000 0.358 361 F C 0.206 176.023 175.800 0.028 0.000 1.151 361 F CA -0.741 57.151 58.000 -0.181 0.000 1.161 361 F CB -0.009 38.602 39.000 -0.649 0.000 1.245 361 F HN 0.298 nan 8.300 nan 0.000 0.545 362 L N 3.992 125.407 121.223 0.321 0.000 2.305 362 L HA 0.364 4.704 4.340 -0.001 0.000 0.281 362 L C 0.295 177.425 176.870 0.434 0.000 1.085 362 L CA -0.518 54.512 54.840 0.317 0.000 0.813 362 L CB 1.034 43.209 42.059 0.193 0.000 1.157 362 L HN 0.459 nan 8.230 nan 0.000 0.436 363 K N 4.409 125.009 120.400 0.332 0.000 2.206 363 K HA 0.421 4.740 4.320 -0.001 0.000 0.264 363 K C -0.901 175.745 176.600 0.076 0.000 0.967 363 K CA -0.737 55.648 56.287 0.163 0.000 0.844 363 K CB 1.194 33.638 32.500 -0.093 0.000 1.099 363 K HN 0.435 nan 8.250 nan 0.000 0.441 364 K N 4.797 125.239 120.400 0.070 0.000 2.729 364 K HA 0.188 4.508 4.320 -0.001 0.000 0.269 364 K C -2.120 174.510 176.600 0.050 0.000 1.065 364 K CA -0.501 55.816 56.287 0.050 0.000 1.000 364 K CB 1.532 34.072 32.500 0.066 0.000 1.283 364 K HN 0.502 nan 8.250 nan 0.000 0.491 365 V N 0.000 119.930 119.914 0.027 0.000 2.409 365 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 365 V CA 0.000 62.323 62.300 0.038 0.000 1.235 365 V CB 0.000 31.860 31.823 0.061 0.000 1.184 365 V HN 0.000 nan 8.190 nan 0.000 0.556