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 2o0y_1_A DATA FIRST_RESID 18 DATA SEQUENCE GVRSVTRVID LLELFDAAHP TRSLKELVEG TKLPKTTVVR LVATXCARSV DATA SEQUENCE LTSRADGSYS LGPEXLRWVR LAGRTWAPPE EVVDIXRQLS ADTGETVNLY DATA SEQUENCE IRQGLSRVVV AQCESTATVR SVIPLGVPYP LWAGAAGKIL LLAAPELIDD DATA SEQUENCE VAADSPHGPE FADQLREKVE DGRERGYQLV HGERELGSSG LSFPLVDSHG DATA SEQUENCE TVVAALTLGG PTGRFTEDRT PHYIECTRAA AEEISAIGLP GL 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 18 G HA2 0.000 nan 3.960 nan 0.000 0.244 18 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 18 G C 0.000 174.899 174.900 -0.002 0.000 0.946 18 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 19 V N 2.097 122.009 119.914 -0.003 0.000 2.446 19 V HA 0.206 4.326 4.120 -0.000 0.000 0.276 19 V C 1.917 178.009 176.094 -0.003 0.000 1.030 19 V CA 0.362 62.660 62.300 -0.003 0.000 1.033 19 V CB 0.900 32.720 31.823 -0.005 0.000 0.993 19 V HN 0.769 nan 8.190 nan 0.000 0.477 20 R N 3.235 123.734 120.500 -0.002 0.000 2.080 20 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 20 R C 2.414 178.713 176.300 -0.001 0.000 1.137 20 R CA 2.084 58.182 56.100 -0.002 0.000 0.943 20 R CB -0.216 30.083 30.300 -0.002 0.000 0.846 20 R HN 0.911 nan 8.270 nan 0.000 0.431 21 S N -0.542 115.158 115.700 -0.001 0.000 2.399 21 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 21 S C 2.020 176.622 174.600 0.003 0.000 1.022 21 S CA 1.258 59.459 58.200 0.001 0.000 0.983 21 S CB -0.305 62.896 63.200 0.001 0.000 0.803 21 S HN 0.135 nan 8.310 nan 0.000 0.480 22 V N 2.035 121.950 119.914 0.001 0.000 2.379 22 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 22 V C 2.827 178.923 176.094 0.003 0.000 1.044 22 V CA 2.092 64.392 62.300 0.000 0.000 1.036 22 V CB -1.502 30.318 31.823 -0.006 0.000 0.664 22 V HN 0.537 nan 8.190 nan 0.000 0.453 23 T N -0.044 114.510 114.554 0.001 0.000 2.699 23 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 23 T C 2.088 176.791 174.700 0.004 0.000 1.036 23 T CA 1.785 63.885 62.100 0.001 0.000 1.147 23 T CB -0.222 68.645 68.868 -0.002 0.000 0.862 23 T HN 0.447 nan 8.240 nan 0.000 0.446 24 R N 0.084 120.587 120.500 0.004 0.000 2.073 24 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 24 R C 2.544 178.854 176.300 0.015 0.000 1.120 24 R CA 0.818 56.922 56.100 0.006 0.000 0.967 24 R CB -0.613 29.688 30.300 0.002 0.000 0.862 24 R HN 0.215 nan 8.270 nan 0.000 0.436 25 V N 1.484 121.410 119.914 0.020 0.000 2.343 25 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 25 V C 2.214 178.338 176.094 0.050 0.000 1.051 25 V CA 1.764 64.085 62.300 0.035 0.000 1.036 25 V CB -0.341 31.503 31.823 0.035 0.000 0.654 25 V HN 0.258 nan 8.190 nan 0.000 0.451 26 I N -0.077 120.516 120.570 0.038 0.000 2.179 26 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 26 I C 2.292 178.435 176.117 0.044 0.000 1.088 26 I CA 1.565 62.892 61.300 0.044 0.000 1.357 26 I CB -0.583 37.432 38.000 0.025 0.000 1.051 26 I HN 0.292 nan 8.210 nan 0.000 0.409 27 D N 1.037 121.452 120.400 0.025 0.000 2.133 27 D HA -0.199 4.441 4.640 -0.000 0.000 0.192 27 D C 2.321 178.636 176.300 0.025 0.000 1.001 27 D CA 1.372 55.380 54.000 0.014 0.000 0.844 27 D CB -0.418 40.382 40.800 -0.000 0.000 0.944 27 D HN 0.274 nan 8.370 nan 0.000 0.447 28 L N 0.080 121.328 121.223 0.041 0.000 1.989 28 L HA -0.180 4.159 4.340 -0.000 0.000 0.211 28 L C 2.602 179.575 176.870 0.171 0.000 1.071 28 L CA 0.834 55.715 54.840 0.069 0.000 0.749 28 L CB -0.416 41.690 42.059 0.077 0.000 0.890 28 L HN 0.083 nan 8.230 nan 0.000 0.431 29 L N -0.533 120.809 121.223 0.199 0.000 2.127 29 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 29 L C 2.327 179.374 176.870 0.294 0.000 1.089 29 L CA 1.210 56.229 54.840 0.299 0.000 0.757 29 L CB -0.463 41.695 42.059 0.166 0.000 0.899 29 L HN 0.300 nan 8.230 nan 0.000 0.434 30 E N -0.058 120.230 120.200 0.146 0.000 2.409 30 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 30 E C 2.155 178.785 176.600 0.052 0.000 1.024 30 E CA 0.469 56.925 56.400 0.092 0.000 0.861 30 E CB -0.016 29.706 29.700 0.038 0.000 0.788 30 E HN 0.528 nan 8.360 nan 0.000 0.521 31 L N 0.011 121.234 121.223 -0.001 0.000 2.376 31 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 31 L C 0.316 177.044 176.870 -0.236 0.000 1.133 31 L CA 0.308 55.038 54.840 -0.184 0.000 0.816 31 L CB -0.024 41.848 42.059 -0.311 0.000 0.933 31 L HN 0.023 nan 8.230 nan 0.000 0.449 32 F N 0.849 120.818 119.950 0.032 0.000 2.411 32 F HA 0.275 4.802 4.527 -0.000 0.000 0.355 32 F C 0.245 176.090 175.800 0.075 0.000 1.117 32 F CA -0.939 57.101 58.000 0.067 0.000 1.139 32 F CB 0.736 39.771 39.000 0.059 0.000 1.120 32 F HN 0.034 nan 8.300 nan 0.000 0.493 33 D N 1.119 121.670 120.400 0.252 0.000 2.759 33 D HA 0.463 5.103 4.640 -0.000 0.000 0.321 33 D C 0.490 176.882 176.300 0.154 0.000 1.267 33 D CA -0.570 53.541 54.000 0.185 0.000 0.933 33 D CB 0.636 41.532 40.800 0.159 0.000 1.431 33 D HN 0.363 nan 8.370 nan 0.000 0.504 34 A N -0.029 122.850 122.820 0.099 0.000 1.917 34 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 34 A C 2.082 179.671 177.584 0.008 0.000 1.182 34 A CA 2.876 54.945 52.037 0.053 0.000 0.633 34 A CB -1.369 17.652 19.000 0.034 0.000 0.819 34 A HN 0.805 nan 8.150 nan 0.000 0.448 35 A N -1.710 121.093 122.820 -0.028 0.000 2.067 35 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 35 A C 0.704 177.996 177.584 -0.487 0.000 1.156 35 A CA 1.002 52.900 52.037 -0.231 0.000 0.683 35 A CB -0.333 18.510 19.000 -0.262 0.000 0.808 35 A HN 0.641 nan 8.150 nan 0.000 0.455 36 H N -1.251 117.833 119.070 0.023 0.000 2.448 36 H HA 0.261 4.816 4.556 -0.000 0.000 0.237 36 H C -2.179 173.188 175.328 0.065 0.000 1.391 36 H CA -1.387 54.666 56.048 0.007 0.000 1.477 36 H CB 0.968 30.700 29.762 -0.051 0.000 1.520 36 H HN 0.214 nan 8.280 nan 0.000 0.502 37 P HA -0.071 nan 4.420 nan 0.000 0.225 37 P C 0.437 177.914 177.300 0.294 0.000 1.156 37 P CA 0.829 64.049 63.100 0.200 0.000 0.787 37 P CB 0.603 32.367 31.700 0.107 0.000 0.802 38 T N -2.588 112.102 114.554 0.228 0.000 2.916 38 T HA 0.690 5.040 4.350 -0.000 0.000 0.292 38 T C -0.399 174.394 174.700 0.155 0.000 1.055 38 T CA -0.904 61.358 62.100 0.269 0.000 1.009 38 T CB 2.314 71.275 68.868 0.156 0.000 1.118 38 T HN -0.235 nan 8.240 nan 0.000 0.497 39 R N 1.354 121.961 120.500 0.178 0.000 2.564 39 R HA 0.509 4.849 4.340 -0.000 0.000 0.284 39 R C -0.214 176.177 176.300 0.153 0.000 1.031 39 R CA -0.589 55.513 56.100 0.003 0.000 0.904 39 R CB 2.052 32.114 30.300 -0.397 0.000 1.199 39 R HN 1.054 nan 8.270 nan 0.000 0.443 40 S N 1.429 117.185 115.700 0.092 0.000 2.593 40 S HA 0.072 4.541 4.470 -0.000 0.000 0.269 40 S C 1.396 176.103 174.600 0.178 0.000 1.334 40 S CA -0.629 57.648 58.200 0.128 0.000 1.015 40 S CB 0.831 64.067 63.200 0.060 0.000 0.912 40 S HN 0.561 nan 8.310 nan 0.000 0.541 41 L N 1.869 123.239 121.223 0.245 0.000 1.990 41 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 41 L C 2.774 179.689 176.870 0.075 0.000 1.072 41 L CA 2.534 57.483 54.840 0.180 0.000 0.755 41 L CB -1.472 40.704 42.059 0.195 0.000 0.889 41 L HN 0.856 nan 8.230 nan 0.000 0.432 42 K N -0.301 120.134 120.400 0.058 0.000 2.015 42 K HA -0.252 4.068 4.320 -0.000 0.000 0.216 42 K C 2.085 178.686 176.600 0.002 0.000 1.052 42 K CA 2.111 58.413 56.287 0.025 0.000 0.937 42 K CB -0.704 31.808 32.500 0.021 0.000 0.719 42 K HN 0.732 nan 8.250 nan 0.000 0.446 43 E N -0.062 120.135 120.200 -0.004 0.000 2.171 43 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 43 E C 2.195 178.749 176.600 -0.076 0.000 0.997 43 E CA 1.665 58.038 56.400 -0.046 0.000 0.810 43 E CB -0.232 29.429 29.700 -0.065 0.000 0.738 43 E HN 0.380 nan 8.360 nan 0.000 0.467 44 L N 0.222 121.412 121.223 -0.056 0.000 2.072 44 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 44 L C 2.470 179.312 176.870 -0.046 0.000 1.079 44 L CA 0.547 55.346 54.840 -0.069 0.000 0.752 44 L CB -0.337 41.697 42.059 -0.042 0.000 0.906 44 L HN 0.033 nan 8.230 nan 0.000 0.436 45 V N 0.020 119.919 119.914 -0.026 0.000 2.295 45 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 45 V C 2.286 178.364 176.094 -0.027 0.000 1.049 45 V CA 1.899 64.188 62.300 -0.020 0.000 1.024 45 V CB -0.434 31.386 31.823 -0.007 0.000 0.648 45 V HN 0.437 nan 8.190 nan 0.000 0.447 46 E N -0.140 120.042 120.200 -0.032 0.000 2.274 46 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 46 E C 2.178 178.750 176.600 -0.048 0.000 0.996 46 E CA 0.932 57.312 56.400 -0.035 0.000 0.840 46 E CB -0.234 29.447 29.700 -0.032 0.000 0.772 46 E HN 0.639 nan 8.360 nan 0.000 0.491 47 G N -0.557 108.204 108.800 -0.065 0.000 2.662 47 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.212 47 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.212 47 G C 1.574 176.436 174.900 -0.064 0.000 1.141 47 G CA 0.862 45.914 45.100 -0.081 0.000 0.797 47 G HN 0.339 nan 8.290 nan 0.000 0.531 48 T N -0.462 114.062 114.554 -0.050 0.000 3.067 48 T HA 0.420 4.770 4.350 -0.000 0.000 0.257 48 T C 1.878 176.561 174.700 -0.027 0.000 1.105 48 T CA 2.277 64.356 62.100 -0.035 0.000 1.104 48 T CB -0.446 68.406 68.868 -0.027 0.000 0.925 48 T HN 1.099 nan 8.240 nan 0.000 0.498 49 K N -1.857 118.526 120.400 -0.027 0.000 3.495 49 K HA 0.098 4.418 4.320 -0.000 0.000 0.315 49 K C 1.130 177.721 176.600 -0.016 0.000 1.301 49 K CA 1.913 58.187 56.287 -0.021 0.000 0.985 49 K CB -2.953 29.535 32.500 -0.020 0.000 1.244 49 K HN 1.895 nan 8.250 nan 0.000 0.433 50 L N -0.465 120.749 121.223 -0.016 0.000 2.466 50 L HA 0.773 5.113 4.340 -0.000 0.000 0.257 50 L C -1.234 175.630 176.870 -0.010 0.000 1.189 50 L CA -1.086 53.746 54.840 -0.012 0.000 0.813 50 L CB -0.405 41.647 42.059 -0.012 0.000 1.118 50 L HN 0.325 nan 8.230 nan 0.000 0.471 51 P HA 0.284 nan 4.420 nan 0.000 0.275 51 P C 0.908 178.206 177.300 -0.004 0.000 1.227 51 P CA -0.207 62.890 63.100 -0.005 0.000 0.781 51 P CB 1.006 32.705 31.700 -0.003 0.000 0.906 52 K N 2.063 122.462 120.400 -0.001 0.000 2.052 52 K HA -0.219 4.101 4.320 -0.000 0.000 0.215 52 K C 1.973 178.575 176.600 0.003 0.000 1.053 52 K CA 2.743 59.032 56.287 0.003 0.000 0.934 52 K CB -1.788 30.717 32.500 0.008 0.000 0.717 52 K HN 0.824 nan 8.250 nan 0.000 0.450 53 T N -2.840 111.716 114.554 0.003 0.000 2.833 53 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 53 T C 2.105 176.805 174.700 0.000 0.000 1.054 53 T CA 2.082 64.184 62.100 0.004 0.000 1.135 53 T CB -0.869 68.001 68.868 0.004 0.000 0.869 53 T HN 0.465 nan 8.240 nan 0.000 0.466 54 T N 1.680 116.233 114.554 -0.002 0.000 2.698 54 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 54 T C 2.153 176.847 174.700 -0.010 0.000 1.044 54 T CA 1.362 63.459 62.100 -0.005 0.000 1.149 54 T CB -0.594 68.271 68.868 -0.005 0.000 0.864 54 T HN 0.262 nan 8.240 nan 0.000 0.419 55 V N 1.536 121.442 119.914 -0.013 0.000 2.287 55 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 55 V C 2.673 178.747 176.094 -0.034 0.000 1.053 55 V CA 1.428 63.714 62.300 -0.023 0.000 1.027 55 V CB -0.900 30.910 31.823 -0.021 0.000 0.646 55 V HN 0.300 nan 8.190 nan 0.000 0.447 56 V N -0.216 119.687 119.914 -0.017 0.000 2.282 56 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 56 V C 2.584 178.667 176.094 -0.019 0.000 1.057 56 V CA 2.646 64.939 62.300 -0.011 0.000 1.032 56 V CB -0.761 31.068 31.823 0.011 0.000 0.645 56 V HN 0.484 nan 8.190 nan 0.000 0.447 57 R N -0.468 120.025 120.500 -0.012 0.000 2.062 57 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 57 R C 2.343 178.633 176.300 -0.017 0.000 1.136 57 R CA 1.550 57.644 56.100 -0.009 0.000 0.948 57 R CB -0.293 30.005 30.300 -0.003 0.000 0.845 57 R HN 0.443 nan 8.270 nan 0.000 0.430 58 L N 0.106 121.315 121.223 -0.022 0.000 2.042 58 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 58 L C 2.426 179.266 176.870 -0.050 0.000 1.076 58 L CA 1.172 55.997 54.840 -0.025 0.000 0.749 58 L CB -0.495 41.553 42.059 -0.019 0.000 0.893 58 L HN 0.122 nan 8.230 nan 0.000 0.432 59 V N 0.069 119.926 119.914 -0.095 0.000 2.307 59 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 59 V C 2.780 178.793 176.094 -0.136 0.000 1.045 59 V CA 1.739 63.923 62.300 -0.193 0.000 1.024 59 V CB -0.833 30.766 31.823 -0.373 0.000 0.651 59 V HN 0.476 nan 8.190 nan 0.000 0.449 60 A N -0.738 122.042 122.820 -0.067 0.000 1.940 60 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 60 A C 1.695 179.276 177.584 -0.004 0.000 1.176 60 A CA 1.919 53.949 52.037 -0.011 0.000 0.631 60 A CB -0.720 18.285 19.000 0.008 0.000 0.814 60 A HN 0.526 nan 8.150 nan 0.000 0.446 64 A N 0.563 123.393 122.820 0.016 0.000 1.978 64 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 64 A C 1.725 179.315 177.584 0.009 0.000 1.170 64 A CA 1.717 53.763 52.037 0.015 0.000 0.636 64 A CB -0.288 18.723 19.000 0.017 0.000 0.810 64 A HN 0.562 nan 8.150 nan 0.000 0.448 65 R N -0.597 119.908 120.500 0.009 0.000 2.427 65 R HA 0.228 4.568 4.340 -0.000 0.000 0.262 65 R C 0.376 176.659 176.300 -0.028 0.000 0.943 65 R CA 0.616 56.723 56.100 0.012 0.000 1.081 65 R CB -0.636 29.693 30.300 0.048 0.000 1.166 65 R HN 0.453 nan 8.270 nan 0.000 0.534 66 S N -0.431 115.241 115.700 -0.046 0.000 3.521 66 S HA -0.112 4.358 4.470 -0.000 0.000 0.328 66 S C 1.210 175.709 174.600 -0.168 0.000 1.165 66 S CA 0.832 58.976 58.200 -0.093 0.000 0.941 66 S CB -1.665 61.475 63.200 -0.101 0.000 0.951 66 S HN 0.154 nan 8.310 nan 0.000 0.539 67 V N -0.433 119.398 119.914 -0.138 0.000 2.788 67 V HA 0.170 4.290 4.120 -0.000 0.000 0.251 67 V C 0.894 176.884 176.094 -0.173 0.000 1.068 67 V CA 1.318 63.511 62.300 -0.180 0.000 1.090 67 V CB -0.146 31.659 31.823 -0.030 0.000 0.710 67 V HN 0.510 nan 8.190 nan 0.000 0.467 68 L N -1.112 120.039 121.223 -0.121 0.000 2.350 68 L HA 0.541 4.881 4.340 -0.000 0.000 0.260 68 L C -0.492 176.368 176.870 -0.017 0.000 1.015 68 L CA -0.276 54.499 54.840 -0.108 0.000 0.821 68 L CB 2.429 44.446 42.059 -0.071 0.000 1.370 68 L HN -0.088 nan 8.230 nan 0.000 0.416 69 T N 0.247 114.815 114.554 0.024 0.000 2.807 69 T HA 0.227 4.577 4.350 -0.000 0.000 0.279 69 T C -0.338 174.446 174.700 0.140 0.000 0.993 69 T CA -0.324 61.807 62.100 0.051 0.000 0.970 69 T CB 1.718 70.582 68.868 -0.006 0.000 0.950 69 T HN 0.473 nan 8.240 nan 0.000 0.441 70 S N 2.984 118.750 115.700 0.110 0.000 2.439 70 S HA 0.380 4.850 4.470 -0.000 0.000 0.282 70 S C 0.247 174.785 174.600 -0.103 0.000 1.170 70 S CA -0.728 57.452 58.200 -0.033 0.000 1.054 70 S CB 0.059 63.279 63.200 0.035 0.000 0.956 70 S HN 0.486 nan 8.310 nan 0.000 0.490 71 R N 2.546 122.941 120.500 -0.176 0.000 2.553 71 R HA 0.520 4.860 4.340 -0.000 0.000 0.263 71 R C 1.468 177.705 176.300 -0.104 0.000 1.066 71 R CA -0.122 55.915 56.100 -0.104 0.000 1.135 71 R CB 0.355 30.609 30.300 -0.076 0.000 1.148 71 R HN 0.698 nan 8.270 nan 0.000 0.558 72 A N 1.186 123.968 122.820 -0.064 0.000 2.019 72 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 72 A C 1.356 178.905 177.584 -0.058 0.000 1.164 72 A CA 1.833 53.839 52.037 -0.053 0.000 0.644 72 A CB -0.464 18.515 19.000 -0.034 0.000 0.805 72 A HN 0.867 nan 8.150 nan 0.000 0.449 73 D N -1.738 118.625 120.400 -0.061 0.000 2.363 73 D HA 0.198 4.838 4.640 -0.000 0.000 0.226 73 D C 1.226 177.478 176.300 -0.081 0.000 1.020 73 D CA 1.105 55.072 54.000 -0.056 0.000 0.892 73 D CB -0.602 40.175 40.800 -0.038 0.000 0.900 73 D HN 0.774 nan 8.370 nan 0.000 0.531 74 G N 0.097 108.818 108.800 -0.132 0.000 2.225 74 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.254 74 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.254 74 G C 0.488 175.195 174.900 -0.321 0.000 0.988 74 G CA 0.593 45.580 45.100 -0.189 0.000 0.625 74 G HN 0.847 nan 8.290 nan 0.000 0.527 75 S N -0.492 115.062 115.700 -0.243 0.000 2.655 75 S HA 0.778 5.248 4.470 -0.000 0.000 0.265 75 S C -0.115 174.260 174.600 -0.375 0.000 1.240 75 S CA -0.483 57.589 58.200 -0.214 0.000 0.986 75 S CB 1.280 64.467 63.200 -0.021 0.000 0.985 75 S HN 0.521 nan 8.310 nan 0.000 0.562 76 Y N 0.042 120.430 120.300 0.146 0.000 2.549 76 Y HA 0.664 5.214 4.550 -0.000 0.000 0.339 76 Y C 0.731 176.797 175.900 0.276 0.000 1.053 76 Y CA -0.487 57.721 58.100 0.180 0.000 1.105 76 Y CB 2.192 40.786 38.460 0.223 0.000 1.258 76 Y HN 1.032 nan 8.280 nan 0.000 0.478 77 S N 0.633 116.478 115.700 0.242 0.000 2.685 77 S HA 0.651 5.121 4.470 -0.000 0.000 0.282 77 S C -1.323 173.101 174.600 -0.293 0.000 1.159 77 S CA -1.110 57.117 58.200 0.045 0.000 0.833 77 S CB 0.833 64.074 63.200 0.068 0.000 1.151 77 S HN 0.598 nan 8.310 nan 0.000 0.485 78 L N 1.693 122.660 121.223 -0.427 0.000 2.490 78 L HA 0.405 4.745 4.340 -0.000 0.000 0.274 78 L C 1.238 177.973 176.870 -0.225 0.000 1.201 78 L CA 0.038 54.639 54.840 -0.399 0.000 0.869 78 L CB -0.083 41.802 42.059 -0.290 0.000 1.123 78 L HN 1.010 nan 8.230 nan 0.000 0.484 79 G N 2.333 111.001 108.800 -0.219 0.000 2.522 79 G HA2 0.387 4.347 3.960 -0.000 0.000 0.304 79 G HA3 0.387 4.347 3.960 -0.000 0.000 0.304 79 G C -1.765 173.010 174.900 -0.209 0.000 1.210 79 G CA -0.916 44.080 45.100 -0.174 0.000 0.960 79 G HN 0.470 nan 8.290 nan 0.000 0.497 80 P HA -0.058 nan 4.420 nan 0.000 0.216 80 P C 0.634 177.751 177.300 -0.305 0.000 1.150 80 P CA 0.867 63.854 63.100 -0.188 0.000 0.837 80 P CB 0.233 31.853 31.700 -0.133 0.000 0.786 84 R N 0.632 121.008 120.500 -0.207 0.000 2.081 84 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 84 R C 1.915 178.238 176.300 0.039 0.000 1.131 84 R CA 2.302 58.331 56.100 -0.119 0.000 0.960 84 R CB -0.095 30.080 30.300 -0.208 0.000 0.856 84 R HN 0.372 nan 8.270 nan 0.000 0.436 85 W N 0.001 121.307 121.300 0.011 0.000 2.388 85 W HA -0.061 4.599 4.660 -0.000 0.000 0.294 85 W C 2.065 178.606 176.519 0.036 0.000 1.212 85 W CA 0.230 57.589 57.345 0.023 0.000 1.271 85 W CB -0.994 28.478 29.460 0.020 0.000 1.126 85 W HN -0.019 nan 8.180 nan 0.000 0.535 86 V N 0.757 120.803 119.914 0.221 0.000 2.343 86 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 86 V C 2.586 178.754 176.094 0.123 0.000 1.051 86 V CA 2.219 64.609 62.300 0.150 0.000 1.036 86 V CB -0.822 31.054 31.823 0.088 0.000 0.654 86 V HN 0.110 nan 8.190 nan 0.000 0.451 87 R N -0.248 120.307 120.500 0.092 0.000 2.075 87 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 87 R C 2.310 178.666 176.300 0.093 0.000 1.126 87 R CA 1.614 57.758 56.100 0.075 0.000 0.963 87 R CB -0.353 29.972 30.300 0.042 0.000 0.858 87 R HN 0.424 nan 8.270 nan 0.000 0.435 88 L N 1.034 122.326 121.223 0.116 0.000 2.012 88 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 88 L C 2.301 179.245 176.870 0.123 0.000 1.073 88 L CA 2.237 57.144 54.840 0.111 0.000 0.748 88 L CB -0.790 41.353 42.059 0.140 0.000 0.891 88 L HN 0.268 nan 8.230 nan 0.000 0.431 89 A N -0.625 122.303 122.820 0.180 0.000 1.902 89 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 89 A C 2.370 180.135 177.584 0.301 0.000 1.181 89 A CA 1.499 53.700 52.037 0.273 0.000 0.623 89 A CB -1.606 17.565 19.000 0.285 0.000 0.818 89 A HN 0.537 nan 8.150 nan 0.000 0.443 90 G N -0.410 108.509 108.800 0.199 0.000 2.476 90 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 90 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 90 G C 1.791 176.772 174.900 0.136 0.000 1.164 90 G CA 1.039 46.236 45.100 0.163 0.000 0.768 90 G HN 0.566 nan 8.290 nan 0.000 0.560 91 R N -0.442 120.111 120.500 0.089 0.000 2.090 91 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 91 R C 2.872 179.168 176.300 -0.007 0.000 1.110 91 R CA 1.456 57.580 56.100 0.040 0.000 0.973 91 R CB -0.668 29.647 30.300 0.024 0.000 0.869 91 R HN 0.295 nan 8.270 nan 0.000 0.440 92 T N -0.250 114.281 114.554 -0.038 0.000 2.720 92 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 92 T C 1.069 175.527 174.700 -0.404 0.000 1.037 92 T CA 1.401 63.353 62.100 -0.245 0.000 1.144 92 T CB -0.158 68.521 68.868 -0.315 0.000 0.864 92 T HN 0.456 nan 8.240 nan 0.000 0.444 93 W N 1.153 122.462 121.300 0.015 0.000 3.114 93 W HA 0.576 5.235 4.660 -0.000 0.000 0.279 93 W C 1.060 177.583 176.519 0.007 0.000 1.277 93 W CA -0.676 56.676 57.345 0.011 0.000 1.630 93 W CB 0.157 29.624 29.460 0.011 0.000 1.087 93 W HN 0.055 nan 8.180 nan 0.000 0.637 94 A N 2.188 125.100 122.820 0.153 0.000 2.524 94 A HA 0.243 4.563 4.320 -0.000 0.000 0.250 94 A C -2.035 175.588 177.584 0.066 0.000 1.078 94 A CA -0.895 51.202 52.037 0.101 0.000 0.761 94 A CB -0.496 18.542 19.000 0.063 0.000 1.012 94 A HN -0.080 nan 8.150 nan 0.000 0.500 95 P HA 0.310 nan 4.420 nan 0.000 0.273 95 P C -2.460 174.854 177.300 0.023 0.000 1.250 95 P CA -1.093 62.034 63.100 0.046 0.000 0.793 95 P CB -0.411 31.318 31.700 0.047 0.000 1.011 96 P HA -0.056 nan 4.420 nan 0.000 0.266 96 P C 1.044 178.349 177.300 0.007 0.000 1.193 96 P CA 0.317 63.421 63.100 0.006 0.000 0.770 96 P CB 0.331 32.033 31.700 0.003 0.000 0.836 97 E N 2.099 122.302 120.200 0.004 0.000 2.130 97 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 97 E C 2.006 178.607 176.600 0.001 0.000 0.998 97 E CA 2.106 58.508 56.400 0.003 0.000 0.806 97 E CB 0.056 29.757 29.700 0.001 0.000 0.738 97 E HN 0.635 nan 8.360 nan 0.000 0.459 98 E N 0.084 120.284 120.200 -0.001 0.000 2.150 98 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 98 E C 2.052 178.650 176.600 -0.004 0.000 0.985 98 E CA 1.185 57.583 56.400 -0.003 0.000 0.814 98 E CB -0.711 28.987 29.700 -0.004 0.000 0.752 98 E HN 0.138 nan 8.360 nan 0.000 0.466 99 V N 0.599 120.514 119.914 0.001 0.000 2.323 99 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 99 V C 2.680 178.774 176.094 0.001 0.000 1.041 99 V CA 1.544 63.846 62.300 0.002 0.000 1.025 99 V CB -0.070 31.760 31.823 0.012 0.000 0.656 99 V HN 0.497 nan 8.190 nan 0.000 0.451 100 V N 0.477 120.393 119.914 0.004 0.000 2.324 100 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 100 V C 2.274 178.364 176.094 -0.006 0.000 1.060 100 V CA 2.271 64.572 62.300 0.001 0.000 1.042 100 V CB -0.780 31.047 31.823 0.005 0.000 0.650 100 V HN 0.567 nan 8.190 nan 0.000 0.450 101 D N -0.210 120.186 120.400 -0.007 0.000 2.144 101 D HA -0.028 4.612 4.640 -0.000 0.000 0.199 101 D C 1.113 177.403 176.300 -0.017 0.000 0.984 101 D CA 0.800 54.794 54.000 -0.011 0.000 0.834 101 D CB -0.184 40.610 40.800 -0.009 0.000 0.955 101 D HN 0.384 nan 8.370 nan 0.000 0.465 105 Q N 0.903 120.686 119.800 -0.030 0.000 2.124 105 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 105 Q C 1.674 177.647 176.000 -0.045 0.000 0.977 105 Q CA 1.757 57.541 55.803 -0.031 0.000 0.850 105 Q CB 0.095 28.816 28.738 -0.028 0.000 0.901 105 Q HN 0.322 nan 8.270 nan 0.000 0.429 106 L N 0.390 121.575 121.223 -0.062 0.000 2.056 106 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 106 L C 2.382 179.191 176.870 -0.101 0.000 1.078 106 L CA 2.166 56.950 54.840 -0.093 0.000 0.749 106 L CB -0.923 41.075 42.059 -0.103 0.000 0.901 106 L HN 0.178 nan 8.230 nan 0.000 0.433 107 S N -0.805 114.848 115.700 -0.077 0.000 2.356 107 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 107 S C 2.159 176.724 174.600 -0.059 0.000 1.032 107 S CA 1.285 59.441 58.200 -0.074 0.000 1.005 107 S CB -0.457 62.714 63.200 -0.049 0.000 0.867 107 S HN 0.648 nan 8.310 nan 0.000 0.449 108 A N 1.236 124.034 122.820 -0.038 0.000 1.902 108 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 108 A C 1.885 179.466 177.584 -0.004 0.000 1.181 108 A CA 1.915 53.941 52.037 -0.018 0.000 0.623 108 A CB -0.872 18.121 19.000 -0.012 0.000 0.818 108 A HN 0.549 nan 8.150 nan 0.000 0.443 109 D N -0.692 119.705 120.400 -0.006 0.000 2.178 109 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 109 D C 2.158 178.516 176.300 0.098 0.000 0.974 109 D CA 2.012 56.041 54.000 0.048 0.000 0.841 109 D CB -0.266 40.542 40.800 0.013 0.000 0.953 109 D HN 0.646 nan 8.370 nan 0.000 0.478 110 T N -4.232 110.301 114.554 -0.036 0.000 3.015 110 T HA 0.320 4.670 4.350 -0.000 0.000 0.250 110 T C 1.726 176.372 174.700 -0.090 0.000 1.057 110 T CA 0.692 62.721 62.100 -0.119 0.000 1.066 110 T CB 0.633 69.173 68.868 -0.547 0.000 0.959 110 T HN 0.152 nan 8.240 nan 0.000 0.488 111 G N 1.463 110.225 108.800 -0.063 0.000 2.148 111 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 111 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 111 G C -0.261 174.614 174.900 -0.041 0.000 0.981 111 G CA 0.165 45.250 45.100 -0.024 0.000 0.670 111 G HN 0.610 nan 8.290 nan 0.000 0.528 112 E N 0.141 120.269 120.200 -0.120 0.000 2.244 112 E HA 0.524 4.874 4.350 -0.000 0.000 0.266 112 E C 0.109 176.682 176.600 -0.045 0.000 0.914 112 E CA -0.511 55.845 56.400 -0.073 0.000 0.794 112 E CB 1.163 30.767 29.700 -0.160 0.000 1.210 112 E HN 0.074 nan 8.360 nan 0.000 0.414 113 T N 0.948 115.506 114.554 0.006 0.000 2.916 113 T HA 0.197 4.547 4.350 -0.000 0.000 0.303 113 T C 0.057 174.750 174.700 -0.011 0.000 1.025 113 T CA -0.171 61.925 62.100 -0.007 0.000 1.142 113 T CB 0.383 69.250 68.868 -0.001 0.000 0.947 113 T HN 0.073 nan 8.240 nan 0.000 0.544 114 V N 5.674 125.570 119.914 -0.030 0.000 2.370 114 V HA 0.372 4.492 4.120 -0.000 0.000 0.283 114 V C 0.004 176.071 176.094 -0.045 0.000 1.023 114 V CA -0.955 61.329 62.300 -0.026 0.000 0.857 114 V CB 1.389 33.190 31.823 -0.037 0.000 0.985 114 V HN 0.773 nan 8.190 nan 0.000 0.443 115 N N 3.868 122.542 118.700 -0.043 0.000 2.372 115 N HA 0.476 5.216 4.740 -0.000 0.000 0.291 115 N C -1.063 174.382 175.510 -0.107 0.000 1.024 115 N CA -0.536 52.413 53.050 -0.169 0.000 0.873 115 N CB 2.563 40.842 38.487 -0.348 0.000 1.206 115 N HN 0.484 nan 8.380 nan 0.000 0.486 116 L N 3.633 124.772 121.223 -0.140 0.000 2.262 116 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 116 L C -1.322 175.504 176.870 -0.074 0.000 1.035 116 L CA -0.437 54.387 54.840 -0.027 0.000 0.820 116 L CB -0.236 41.829 42.059 0.009 0.000 1.204 116 L HN 0.389 nan 8.230 nan 0.000 0.424 117 Y N 5.235 125.537 120.300 0.003 0.000 2.387 117 Y HA 0.644 5.194 4.550 -0.000 0.000 0.330 117 Y C 0.492 176.394 175.900 0.004 0.000 1.133 117 Y CA -0.497 57.593 58.100 -0.016 0.000 1.152 117 Y CB 1.570 40.016 38.460 -0.024 0.000 1.215 117 Y HN 0.590 nan 8.280 nan 0.000 0.466 118 I N -0.728 119.939 120.570 0.162 0.000 3.206 118 I HA 0.701 4.871 4.170 -0.000 0.000 0.313 118 I C -0.926 175.243 176.117 0.086 0.000 1.103 118 I CA -1.506 59.863 61.300 0.115 0.000 0.985 118 I CB 2.288 40.347 38.000 0.098 0.000 1.240 118 I HN 0.488 nan 8.210 nan 0.000 0.464 119 R N 1.912 122.452 120.500 0.066 0.000 2.428 119 R HA 0.460 4.800 4.340 -0.000 0.000 0.294 119 R C -1.215 175.107 176.300 0.038 0.000 1.000 119 R CA -0.478 55.648 56.100 0.044 0.000 0.960 119 R CB 1.138 31.460 30.300 0.037 0.000 1.076 119 R HN 0.690 nan 8.270 nan 0.000 0.475 120 Q N 2.653 122.468 119.800 0.024 0.000 2.294 120 Q HA 0.242 4.582 4.340 -0.000 0.000 0.264 120 Q C 0.160 176.173 176.000 0.022 0.000 0.992 120 Q CA 0.116 55.932 55.803 0.022 0.000 0.747 120 Q CB 2.050 30.787 28.738 -0.002 0.000 1.262 120 Q HN 1.036 nan 8.270 nan 0.000 0.452 121 G N 2.272 111.088 108.800 0.028 0.000 2.591 121 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.298 121 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.298 121 G C 0.362 175.281 174.900 0.032 0.000 1.195 121 G CA 0.202 45.318 45.100 0.028 0.000 0.989 121 G HN 0.563 nan 8.290 nan 0.000 0.551 122 L N 1.533 122.778 121.223 0.037 0.000 2.688 122 L HA 0.396 4.736 4.340 -0.000 0.000 0.234 122 L C 0.715 177.607 176.870 0.037 0.000 1.192 122 L CA 0.131 55.001 54.840 0.049 0.000 0.984 122 L CB -0.156 41.946 42.059 0.072 0.000 1.232 122 L HN 0.297 nan 8.230 nan 0.000 0.465 123 S N 0.005 115.718 115.700 0.022 0.000 2.600 123 S HA 0.637 5.106 4.470 -0.000 0.000 0.300 123 S C -0.381 174.230 174.600 0.018 0.000 1.087 123 S CA -0.785 57.422 58.200 0.013 0.000 0.965 123 S CB 2.235 65.444 63.200 0.015 0.000 1.089 123 S HN 0.323 nan 8.310 nan 0.000 0.496 124 R N -0.175 120.344 120.500 0.032 0.000 2.664 124 R HA 0.880 5.220 4.340 -0.000 0.000 0.286 124 R C -1.364 175.050 176.300 0.191 0.000 0.967 124 R CA -0.736 55.410 56.100 0.077 0.000 0.933 124 R CB 1.406 31.677 30.300 -0.047 0.000 1.146 124 R HN 0.383 nan 8.270 nan 0.000 0.468 125 V N 2.515 122.561 119.914 0.219 0.000 2.851 125 V HA 0.349 4.469 4.120 -0.000 0.000 0.307 125 V C -1.154 174.929 176.094 -0.019 0.000 1.129 125 V CA -0.806 61.557 62.300 0.106 0.000 0.932 125 V CB 2.500 34.304 31.823 -0.032 0.000 1.024 125 V HN 0.681 nan 8.190 nan 0.000 0.426 126 V N 6.964 126.750 119.914 -0.214 0.000 2.461 126 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 126 V C 0.973 176.913 176.094 -0.257 0.000 1.047 126 V CA 0.678 62.722 62.300 -0.426 0.000 0.955 126 V CB 1.349 32.862 31.823 -0.517 0.000 0.988 126 V HN 1.024 nan 8.190 nan 0.000 0.471 127 V N 1.622 121.412 119.914 -0.207 0.000 3.556 127 V HA 0.782 4.902 4.120 -0.000 0.000 0.287 127 V C 0.453 176.525 176.094 -0.036 0.000 1.422 127 V CA 0.527 62.733 62.300 -0.156 0.000 1.038 127 V CB 0.227 31.953 31.823 -0.163 0.000 0.850 127 V HN 0.879 nan 8.190 nan 0.000 0.437 128 A N 0.263 123.046 122.820 -0.062 0.000 2.547 128 A HA 0.815 5.135 4.320 -0.000 0.000 0.297 128 A C -1.117 176.421 177.584 -0.076 0.000 1.056 128 A CA -0.439 51.581 52.037 -0.030 0.000 0.688 128 A CB 2.073 21.084 19.000 0.019 0.000 1.282 128 A HN 0.403 nan 8.150 nan 0.000 0.400 129 Q N 0.664 120.428 119.800 -0.059 0.000 2.284 129 Q HA 0.560 4.900 4.340 -0.000 0.000 0.269 129 Q C -2.002 173.971 176.000 -0.044 0.000 1.026 129 Q CA -0.490 55.269 55.803 -0.073 0.000 0.831 129 Q CB 2.083 30.764 28.738 -0.094 0.000 1.322 129 Q HN 0.857 nan 8.270 nan 0.000 0.419 130 C N 3.754 123.029 119.300 -0.042 0.000 2.321 130 C HA 0.415 4.875 4.460 -0.000 0.000 0.323 130 C C -0.219 174.753 174.990 -0.030 0.000 1.191 130 C CA -0.625 58.375 59.018 -0.030 0.000 1.455 130 C CB 0.453 28.177 27.740 -0.027 0.000 2.083 130 C HN 0.812 nan 8.230 nan 0.000 0.442 131 E N 1.741 121.927 120.200 -0.024 0.000 2.366 131 E HA 0.315 4.665 4.350 -0.000 0.000 0.266 131 E C 0.507 177.099 176.600 -0.013 0.000 1.051 131 E CA 0.011 56.401 56.400 -0.017 0.000 0.884 131 E CB 0.951 30.643 29.700 -0.012 0.000 1.006 131 E HN 0.813 nan 8.360 nan 0.000 0.417 132 S N 0.478 116.173 115.700 -0.008 0.000 2.661 132 S HA 0.091 4.561 4.470 -0.000 0.000 0.265 132 S C 1.056 175.657 174.600 0.002 0.000 1.225 132 S CA -0.150 58.046 58.200 -0.006 0.000 0.986 132 S CB 1.137 64.335 63.200 -0.004 0.000 1.008 132 S HN 0.638 nan 8.310 nan 0.000 0.565 133 T N -2.336 112.221 114.554 0.005 0.000 3.107 133 T HA 0.451 4.801 4.350 -0.000 0.000 0.249 133 T C 0.704 175.412 174.700 0.014 0.000 1.096 133 T CA 0.053 62.157 62.100 0.008 0.000 1.012 133 T CB -0.644 68.227 68.868 0.006 0.000 0.977 133 T HN 0.963 nan 8.240 nan 0.000 0.527 134 A N 2.203 125.035 122.820 0.020 0.000 2.498 134 A HA 0.436 4.756 4.320 -0.000 0.000 0.239 134 A C 1.819 179.420 177.584 0.028 0.000 1.068 134 A CA 0.237 52.292 52.037 0.030 0.000 0.766 134 A CB 0.150 19.177 19.000 0.044 0.000 1.003 134 A HN 0.512 nan 8.150 nan 0.000 0.497 135 T N -0.434 114.137 114.554 0.028 0.000 2.985 135 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 135 T C 0.435 175.152 174.700 0.029 0.000 1.076 135 T CA 1.093 63.208 62.100 0.024 0.000 1.135 135 T CB -0.307 68.574 68.868 0.021 0.000 0.890 135 T HN 0.317 nan 8.240 nan 0.000 0.480 136 V N 3.670 123.607 119.914 0.039 0.000 2.350 136 V HA 0.654 4.774 4.120 -0.000 0.000 0.276 136 V C 0.032 176.161 176.094 0.058 0.000 1.028 136 V CA -0.991 61.336 62.300 0.045 0.000 0.860 136 V CB 0.493 32.346 31.823 0.050 0.000 0.990 136 V HN 0.736 nan 8.190 nan 0.000 0.453 137 R N 2.410 122.940 120.500 0.050 0.000 2.747 137 R HA 0.629 4.969 4.340 -0.000 0.000 0.272 137 R C -0.730 175.593 176.300 0.039 0.000 1.032 137 R CA -0.720 55.415 56.100 0.058 0.000 0.896 137 R CB 1.456 31.782 30.300 0.043 0.000 1.253 137 R HN 0.426 nan 8.270 nan 0.000 0.461 138 S N -0.003 115.718 115.700 0.035 0.000 2.531 138 S HA 0.272 4.742 4.470 -0.000 0.000 0.279 138 S C 0.399 174.993 174.600 -0.011 0.000 1.305 138 S CA -0.219 57.982 58.200 0.002 0.000 1.058 138 S CB 0.677 63.873 63.200 -0.007 0.000 0.899 138 S HN 0.706 nan 8.310 nan 0.000 0.493 139 V N 4.256 124.159 119.914 -0.020 0.000 2.925 139 V HA 0.472 4.591 4.120 -0.000 0.000 0.361 139 V C 0.337 176.411 176.094 -0.034 0.000 1.361 139 V CA -0.682 61.606 62.300 -0.021 0.000 1.184 139 V CB -0.680 31.143 31.823 -0.001 0.000 1.245 139 V HN 0.860 nan 8.190 nan 0.000 0.575 140 I N 4.294 124.818 120.570 -0.076 0.000 2.826 140 I HA 0.201 4.371 4.170 -0.000 0.000 0.295 140 I C -1.681 174.394 176.117 -0.071 0.000 1.213 140 I CA -0.971 60.258 61.300 -0.119 0.000 1.436 140 I CB 1.298 39.146 38.000 -0.252 0.000 1.348 140 I HN 0.254 nan 8.210 nan 0.000 0.570 141 P HA 0.087 nan 4.420 nan 0.000 0.276 141 P C -0.524 176.773 177.300 -0.005 0.000 1.230 141 P CA -0.217 62.899 63.100 0.027 0.000 0.776 141 P CB 0.725 32.474 31.700 0.082 0.000 0.888 142 L N 2.470 123.670 121.223 -0.037 0.000 2.559 142 L HA 0.030 4.370 4.340 -0.000 0.000 0.282 142 L C 1.767 178.609 176.870 -0.047 0.000 1.232 142 L CA 1.449 56.249 54.840 -0.067 0.000 0.885 142 L CB -0.629 41.399 42.059 -0.052 0.000 1.131 142 L HN 0.867 nan 8.230 nan 0.000 0.498 143 G N 2.670 111.419 108.800 -0.086 0.000 2.179 143 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 143 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 143 G C -0.033 174.847 174.900 -0.033 0.000 0.977 143 G CA 0.022 45.067 45.100 -0.091 0.000 0.641 143 G HN 0.422 nan 8.290 nan 0.000 0.533 144 V N 3.184 123.120 119.914 0.036 0.000 2.439 144 V HA 0.519 4.639 4.120 -0.000 0.000 0.282 144 V C -1.487 174.676 176.094 0.115 0.000 1.039 144 V CA -1.512 60.829 62.300 0.068 0.000 0.913 144 V CB 1.674 33.578 31.823 0.136 0.000 0.983 144 V HN 0.215 nan 8.190 nan 0.000 0.460 145 P HA 0.310 nan 4.420 nan 0.000 0.276 145 P C -1.481 175.784 177.300 -0.058 0.000 1.235 145 P CA -0.049 63.062 63.100 0.018 0.000 0.772 145 P CB 0.513 32.190 31.700 -0.038 0.000 0.871 146 Y N 3.048 123.329 120.300 -0.031 0.000 2.598 146 Y HA 0.469 5.018 4.550 -0.000 0.000 0.340 146 Y C -1.896 173.913 175.900 -0.151 0.000 1.038 146 Y CA -2.484 55.566 58.100 -0.084 0.000 1.100 146 Y CB 1.095 39.511 38.460 -0.074 0.000 1.281 146 Y HN 0.285 nan 8.280 nan 0.000 0.488 147 P HA 0.150 nan 4.420 nan 0.000 0.272 147 P C 0.284 177.374 177.300 -0.350 0.000 1.240 147 P CA 0.047 62.958 63.100 -0.315 0.000 0.791 147 P CB 0.804 32.030 31.700 -0.789 0.000 0.978 148 L N 0.298 121.383 121.223 -0.230 0.000 2.477 148 L HA 0.076 4.415 4.340 -0.000 0.000 0.220 148 L C 1.946 178.751 176.870 -0.109 0.000 1.106 148 L CA 0.356 55.112 54.840 -0.139 0.000 0.851 148 L CB -0.523 41.529 42.059 -0.012 0.000 0.994 148 L HN 0.584 nan 8.230 nan 0.000 0.462 149 W N 0.401 121.735 121.300 0.057 0.000 2.595 149 W HA 0.307 4.967 4.660 -0.000 0.000 0.257 149 W C 0.346 176.918 176.519 0.088 0.000 1.267 149 W CA 0.214 57.619 57.345 0.100 0.000 1.300 149 W CB -0.500 29.041 29.460 0.135 0.000 1.120 149 W HN 0.077 nan 8.180 nan 0.000 0.618 150 A N 1.157 123.809 122.820 -0.281 0.000 2.371 150 A HA 0.765 5.085 4.320 -0.000 0.000 0.311 150 A C 0.138 177.603 177.584 -0.200 0.000 1.068 150 A CA 0.160 52.110 52.037 -0.144 0.000 0.744 150 A CB 0.955 19.757 19.000 -0.329 0.000 1.239 150 A HN 0.775 nan 8.150 nan 0.000 0.435 151 G N -0.598 108.139 108.800 -0.106 0.000 2.612 151 G HA2 0.399 4.359 3.960 -0.000 0.000 0.686 151 G HA3 0.399 4.359 3.960 -0.000 0.000 0.686 151 G C 0.687 175.496 174.900 -0.152 0.000 1.274 151 G CA 0.063 45.072 45.100 -0.152 0.000 0.849 151 G HN 2.036 nan 8.290 nan 0.000 0.595 152 A N 0.018 122.742 122.820 -0.161 0.000 1.897 152 A HA 0.434 4.754 4.320 -0.000 0.000 0.215 152 A C 2.922 180.408 177.584 -0.163 0.000 1.181 152 A CA 3.102 55.063 52.037 -0.128 0.000 0.620 152 A CB -0.884 18.062 19.000 -0.090 0.000 0.821 152 A HN 2.480 nan 8.150 nan 0.000 0.443 153 A N -0.345 122.308 122.820 -0.278 0.000 1.933 153 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 153 A C 2.381 179.790 177.584 -0.291 0.000 1.175 153 A CA 1.880 53.702 52.037 -0.359 0.000 0.628 153 A CB -1.351 17.101 19.000 -0.914 0.000 0.814 153 A HN 0.705 nan 8.150 nan 0.000 0.444 154 G N -0.417 108.205 108.800 -0.296 0.000 2.418 154 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 154 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 154 G C 1.680 176.518 174.900 -0.103 0.000 1.158 154 G CA 1.129 46.115 45.100 -0.190 0.000 0.771 154 G HN 0.560 nan 8.290 nan 0.000 0.545 155 K N -0.434 119.911 120.400 -0.092 0.000 2.217 155 K HA 0.116 4.436 4.320 -0.000 0.000 0.202 155 K C 2.318 178.881 176.600 -0.062 0.000 1.051 155 K CA 0.129 56.380 56.287 -0.060 0.000 0.952 155 K CB -0.038 32.428 32.500 -0.057 0.000 0.736 155 K HN 0.182 nan 8.250 nan 0.000 0.453 156 I N 1.267 121.794 120.570 -0.072 0.000 2.233 156 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 156 I C 2.074 178.175 176.117 -0.026 0.000 1.093 156 I CA 1.407 62.679 61.300 -0.047 0.000 1.380 156 I CB -0.824 37.157 38.000 -0.032 0.000 1.067 156 I HN 0.156 nan 8.210 nan 0.000 0.413 157 L N -0.008 121.194 121.223 -0.035 0.000 2.127 157 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 157 L C 2.385 179.252 176.870 -0.005 0.000 1.089 157 L CA 0.964 55.798 54.840 -0.010 0.000 0.757 157 L CB -0.552 41.496 42.059 -0.018 0.000 0.899 157 L HN 0.205 nan 8.230 nan 0.000 0.434 158 L N -0.511 120.702 121.223 -0.016 0.000 2.549 158 L HA -0.158 4.181 4.340 -0.000 0.000 0.229 158 L C 2.254 179.118 176.870 -0.010 0.000 1.158 158 L CA 0.430 55.265 54.840 -0.008 0.000 0.842 158 L CB -0.269 41.785 42.059 -0.009 0.000 0.952 158 L HN 0.317 nan 8.230 nan 0.000 0.452 159 L N -0.330 120.886 121.223 -0.012 0.000 2.201 159 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 159 L C 2.405 179.276 176.870 0.000 0.000 1.105 159 L CA 1.016 55.849 54.840 -0.011 0.000 0.775 159 L CB -0.433 41.621 42.059 -0.008 0.000 0.913 159 L HN 0.252 nan 8.230 nan 0.000 0.440 160 A N -0.743 122.082 122.820 0.008 0.000 2.308 160 A HA 0.527 4.846 4.320 -0.000 0.000 0.217 160 A C 1.118 178.708 177.584 0.011 0.000 1.216 160 A CA 0.605 52.650 52.037 0.013 0.000 0.864 160 A CB -0.060 18.954 19.000 0.023 0.000 0.902 160 A HN 0.232 nan 8.150 nan 0.000 0.499 161 A N 0.340 123.165 122.820 0.007 0.000 3.410 161 A HA 0.558 4.878 4.320 -0.000 0.000 0.276 161 A C -1.604 175.983 177.584 0.005 0.000 0.995 161 A CA -0.667 51.376 52.037 0.009 0.000 0.934 161 A CB 0.401 19.410 19.000 0.015 0.000 1.191 161 A HN 0.130 nan 8.150 nan 0.000 0.511 162 P HA -0.219 nan 4.420 nan 0.000 0.219 162 P C 1.090 178.389 177.300 -0.002 0.000 1.146 162 P CA 1.475 64.571 63.100 -0.006 0.000 0.808 162 P CB 0.225 31.920 31.700 -0.009 0.000 0.779 163 E N 0.388 120.590 120.200 0.002 0.000 2.478 163 E HA -0.075 4.275 4.350 -0.000 0.000 0.198 163 E C 1.688 178.294 176.600 0.011 0.000 1.046 163 E CA 0.579 56.981 56.400 0.005 0.000 0.870 163 E CB -0.792 28.911 29.700 0.005 0.000 0.818 163 E HN 0.338 nan 8.360 nan 0.000 0.527 164 L N 0.331 121.564 121.223 0.016 0.000 2.616 164 L HA 0.244 4.584 4.340 -0.000 0.000 0.229 164 L C 2.314 179.206 176.870 0.035 0.000 1.110 164 L CA -0.117 54.739 54.840 0.027 0.000 0.884 164 L CB -0.045 42.033 42.059 0.032 0.000 1.115 164 L HN 0.015 nan 8.230 nan 0.000 0.481 165 I N 0.408 120.991 120.570 0.023 0.000 2.286 165 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 165 I C 1.924 178.062 176.117 0.035 0.000 1.115 165 I CA 1.304 62.618 61.300 0.023 0.000 1.392 165 I CB -0.076 37.919 38.000 -0.009 0.000 1.065 165 I HN 0.297 nan 8.210 nan 0.000 0.418 166 D N 0.700 121.115 120.400 0.025 0.000 2.144 166 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 166 D C 1.730 178.060 176.300 0.050 0.000 0.978 166 D CA 1.162 55.180 54.000 0.030 0.000 0.833 166 D CB -0.290 40.520 40.800 0.017 0.000 0.961 166 D HN 0.284 nan 8.370 nan 0.000 0.470 167 D N -0.039 120.392 120.400 0.052 0.000 2.149 167 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 167 D C 2.298 178.656 176.300 0.096 0.000 0.972 167 D CA 0.291 54.328 54.000 0.062 0.000 0.835 167 D CB -0.150 40.681 40.800 0.052 0.000 0.966 167 D HN 0.044 nan 8.370 nan 0.000 0.476 168 V N 1.439 121.425 119.914 0.120 0.000 2.295 168 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 168 V C 2.531 178.764 176.094 0.232 0.000 1.049 168 V CA 1.849 64.268 62.300 0.199 0.000 1.024 168 V CB -0.868 31.070 31.823 0.191 0.000 0.648 168 V HN 0.181 nan 8.190 nan 0.000 0.447 169 A N 0.251 123.191 122.820 0.200 0.000 1.865 169 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 169 A C 2.433 180.083 177.584 0.109 0.000 1.191 169 A CA 2.361 54.541 52.037 0.239 0.000 0.623 169 A CB -1.042 18.088 19.000 0.217 0.000 0.826 169 A HN 0.631 nan 8.150 nan 0.000 0.444 170 A N -0.671 122.194 122.820 0.075 0.000 2.084 170 A HA -0.217 4.102 4.320 -0.000 0.000 0.221 170 A C 1.770 179.351 177.584 -0.004 0.000 1.161 170 A CA 2.306 54.360 52.037 0.029 0.000 0.653 170 A CB -0.603 18.415 19.000 0.030 0.000 0.802 170 A HN 0.587 nan 8.150 nan 0.000 0.457 171 D N -0.529 119.886 120.400 0.025 0.000 2.271 171 D HA 0.006 4.646 4.640 -0.000 0.000 0.206 171 D C 1.283 177.487 176.300 -0.160 0.000 0.967 171 D CA 0.855 54.880 54.000 0.041 0.000 0.867 171 D CB -0.053 40.866 40.800 0.199 0.000 0.960 171 D HN 0.452 nan 8.370 nan 0.000 0.509 172 S N -0.121 115.328 115.700 -0.420 0.000 2.593 172 S HA 0.206 4.676 4.470 -0.000 0.000 0.269 172 S C -1.509 172.595 174.600 -0.827 0.000 1.334 172 S CA -0.899 56.557 58.200 -1.240 0.000 1.015 172 S CB 1.356 64.044 63.200 -0.854 0.000 0.912 172 S HN -0.028 nan 8.310 nan 0.000 0.541 173 P HA -0.048 nan 4.420 nan 0.000 0.230 173 P C 0.430 177.356 177.300 -0.623 0.000 1.158 173 P CA 1.192 63.882 63.100 -0.684 0.000 0.769 173 P CB -0.305 30.975 31.700 -0.700 0.000 0.807 174 H N -0.514 118.186 119.070 -0.616 0.000 2.502 174 H HA 0.264 4.820 4.556 -0.000 0.000 0.283 174 H C 1.511 176.692 175.328 -0.244 0.000 1.015 174 H CA 0.960 56.712 56.048 -0.493 0.000 1.298 174 H CB -0.684 28.503 29.762 -0.959 0.000 1.411 174 H HN 0.211 nan 8.280 nan 0.000 0.556 175 G N 0.158 108.893 108.800 -0.109 0.000 2.796 175 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.571 175 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.571 175 G C -1.655 173.280 174.900 0.058 0.000 1.370 175 G CA -0.391 44.685 45.100 -0.040 0.000 0.856 175 G HN 0.145 nan 8.290 nan 0.000 0.538 176 P HA -0.100 nan 4.420 nan 0.000 0.217 176 P C 1.297 178.645 177.300 0.080 0.000 1.148 176 P CA 1.807 64.942 63.100 0.059 0.000 0.828 176 P CB 0.022 31.740 31.700 0.029 0.000 0.783 177 E N -1.404 118.847 120.200 0.086 0.000 2.418 177 E HA -0.105 4.244 4.350 -0.000 0.000 0.197 177 E C 1.597 178.268 176.600 0.119 0.000 1.026 177 E CA 0.402 56.849 56.400 0.079 0.000 0.862 177 E CB -0.753 28.985 29.700 0.064 0.000 0.799 177 E HN 0.329 nan 8.360 nan 0.000 0.518 178 F N 1.663 121.602 119.950 -0.017 0.000 2.604 178 F HA 0.058 4.585 4.527 -0.000 0.000 0.298 178 F C 2.034 177.807 175.800 -0.046 0.000 1.131 178 F CA 0.383 58.358 58.000 -0.042 0.000 1.457 178 F CB -0.045 38.925 39.000 -0.051 0.000 1.095 178 F HN -0.045 nan 8.300 nan 0.000 0.574 179 A N 0.090 122.879 122.820 -0.052 0.000 1.917 179 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 179 A C 2.077 179.538 177.584 -0.206 0.000 1.182 179 A CA 2.237 54.206 52.037 -0.113 0.000 0.633 179 A CB -0.890 18.093 19.000 -0.029 0.000 0.819 179 A HN 0.370 nan 8.150 nan 0.000 0.448 180 D N -1.056 119.238 120.400 -0.177 0.000 2.117 180 D HA -0.094 4.545 4.640 -0.000 0.000 0.198 180 D C 2.596 178.754 176.300 -0.236 0.000 0.982 180 D CA 1.858 55.762 54.000 -0.160 0.000 0.828 180 D CB -0.436 40.304 40.800 -0.100 0.000 0.967 180 D HN 0.679 nan 8.370 nan 0.000 0.464 181 Q N 0.141 119.724 119.800 -0.362 0.000 2.230 181 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 181 Q C 2.220 177.904 176.000 -0.527 0.000 0.963 181 Q CA 0.633 56.189 55.803 -0.411 0.000 0.866 181 Q CB -1.074 27.431 28.738 -0.388 0.000 0.931 181 Q HN 0.385 nan 8.270 nan 0.000 0.452 182 L N 0.877 121.655 121.223 -0.742 0.000 2.056 182 L HA 0.155 4.494 4.340 -0.000 0.000 0.207 182 L C 2.784 179.508 176.870 -0.243 0.000 1.078 182 L CA 2.311 56.850 54.840 -0.502 0.000 0.749 182 L CB -0.846 40.970 42.059 -0.406 0.000 0.901 182 L HN 0.363 nan 8.230 nan 0.000 0.433 183 R N -0.427 119.948 120.500 -0.208 0.000 2.096 183 R HA -0.229 4.111 4.340 -0.000 0.000 0.240 183 R C 2.314 178.542 176.300 -0.120 0.000 1.139 183 R CA 2.058 58.080 56.100 -0.130 0.000 0.952 183 R CB -0.309 29.926 30.300 -0.108 0.000 0.854 183 R HN 0.518 nan 8.270 nan 0.000 0.436 184 E N 0.193 120.311 120.200 -0.138 0.000 2.049 184 E HA -0.247 4.102 4.350 -0.000 0.000 0.198 184 E C 1.932 178.467 176.600 -0.108 0.000 1.007 184 E CA 1.786 58.117 56.400 -0.114 0.000 0.809 184 E CB 0.084 29.712 29.700 -0.121 0.000 0.749 184 E HN 0.326 nan 8.360 nan 0.000 0.450 185 K N -0.048 120.276 120.400 -0.126 0.000 2.097 185 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 185 K C 2.138 178.682 176.600 -0.094 0.000 1.049 185 K CA 1.182 57.408 56.287 -0.102 0.000 0.933 185 K CB -0.042 32.402 32.500 -0.093 0.000 0.717 185 K HN 0.033 nan 8.250 nan 0.000 0.442 186 V N 1.392 121.251 119.914 -0.092 0.000 2.343 186 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 186 V C 2.291 178.338 176.094 -0.079 0.000 1.051 186 V CA 1.955 64.209 62.300 -0.077 0.000 1.036 186 V CB -0.358 31.427 31.823 -0.063 0.000 0.654 186 V HN 0.331 nan 8.190 nan 0.000 0.451 187 E N 0.454 120.606 120.200 -0.079 0.000 2.107 187 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 187 E C 1.786 178.335 176.600 -0.086 0.000 0.982 187 E CA 1.276 57.632 56.400 -0.073 0.000 0.809 187 E CB -0.324 29.337 29.700 -0.065 0.000 0.756 187 E HN 0.587 nan 8.360 nan 0.000 0.459 188 D N -0.201 120.142 120.400 -0.095 0.000 2.116 188 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 188 D C 1.875 178.081 176.300 -0.156 0.000 0.998 188 D CA 1.619 55.552 54.000 -0.113 0.000 0.836 188 D CB -0.809 39.927 40.800 -0.107 0.000 0.951 188 D HN 0.403 nan 8.370 nan 0.000 0.449 189 G N 0.773 109.479 108.800 -0.158 0.000 2.442 189 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 189 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 189 G C 1.619 176.414 174.900 -0.174 0.000 1.141 189 G CA 0.614 45.595 45.100 -0.199 0.000 0.763 189 G HN 0.203 nan 8.290 nan 0.000 0.554 190 R N 0.693 121.124 120.500 -0.116 0.000 2.083 190 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 190 R C 2.430 178.679 176.300 -0.085 0.000 1.137 190 R CA 1.885 57.937 56.100 -0.081 0.000 0.951 190 R CB -0.320 29.945 30.300 -0.058 0.000 0.851 190 R HN 0.511 nan 8.270 nan 0.000 0.434 191 E N -0.423 119.717 120.200 -0.099 0.000 2.072 191 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 191 E C 2.292 178.821 176.600 -0.118 0.000 0.982 191 E CA 0.893 57.240 56.400 -0.088 0.000 0.803 191 E CB -0.028 29.624 29.700 -0.081 0.000 0.755 191 E HN 0.320 nan 8.360 nan 0.000 0.453 192 R N -0.554 119.819 120.500 -0.211 0.000 2.090 192 R HA -0.030 4.310 4.340 -0.000 0.000 0.228 192 R C 1.431 177.553 176.300 -0.296 0.000 1.110 192 R CA 0.907 56.805 56.100 -0.337 0.000 0.973 192 R CB 0.056 29.962 30.300 -0.656 0.000 0.869 192 R HN 0.342 nan 8.270 nan 0.000 0.440 193 G N -0.483 108.170 108.800 -0.246 0.000 2.157 193 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.239 193 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.239 193 G C -0.223 174.521 174.900 -0.259 0.000 0.982 193 G CA 0.447 45.483 45.100 -0.107 0.000 0.650 193 G HN 0.467 nan 8.290 nan 0.000 0.527 194 Y N -2.965 117.072 120.300 -0.439 0.000 2.713 194 Y HA 0.787 5.336 4.550 -0.000 0.000 0.335 194 Y C -0.899 174.790 175.900 -0.351 0.000 1.222 194 Y CA -1.708 55.981 58.100 -0.685 0.000 1.061 194 Y CB 0.589 38.165 38.460 -1.473 0.000 1.314 194 Y HN 0.063 nan 8.280 nan 0.000 0.453 195 Q N 2.057 121.815 119.800 -0.069 0.000 2.331 195 Q HA 0.525 4.865 4.340 -0.000 0.000 0.267 195 Q C -1.871 174.193 176.000 0.106 0.000 1.006 195 Q CA -0.783 55.002 55.803 -0.030 0.000 0.818 195 Q CB 2.794 31.491 28.738 -0.069 0.000 1.276 195 Q HN 0.794 nan 8.270 nan 0.000 0.450 196 L N 3.250 124.539 121.223 0.110 0.000 2.342 196 L HA 0.759 5.099 4.340 -0.000 0.000 0.276 196 L C -1.393 175.390 176.870 -0.145 0.000 0.997 196 L CA -0.467 54.406 54.840 0.055 0.000 0.838 196 L CB 1.215 43.389 42.059 0.192 0.000 1.224 196 L HN 0.501 nan 8.230 nan 0.000 0.416 197 V N 3.598 123.339 119.914 -0.288 0.000 2.789 197 V HA 0.678 4.797 4.120 -0.000 0.000 0.311 197 V C -1.163 174.643 176.094 -0.480 0.000 1.073 197 V CA -0.702 61.421 62.300 -0.295 0.000 0.921 197 V CB 2.025 33.765 31.823 -0.138 0.000 1.009 197 V HN 0.760 nan 8.190 nan 0.000 0.426 198 H N 3.587 122.658 119.070 0.001 0.000 2.589 198 H HA 0.575 5.131 4.556 -0.000 0.000 0.335 198 H C 0.847 176.174 175.328 -0.002 0.000 1.019 198 H CA 0.011 56.050 56.048 -0.014 0.000 1.213 198 H CB 1.819 31.594 29.762 0.022 0.000 1.472 198 H HN 1.506 nan 8.280 nan 0.000 0.508 199 G N 3.009 111.857 108.800 0.080 0.000 2.179 199 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.257 199 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.257 199 G C 0.918 175.859 174.900 0.070 0.000 1.010 199 G CA 0.768 45.909 45.100 0.067 0.000 0.736 199 G HN 0.662 nan 8.290 nan 0.000 0.513 200 E N -0.701 119.532 120.200 0.055 0.000 2.033 200 E HA 0.018 4.368 4.350 -0.000 0.000 0.189 200 E C 2.749 179.402 176.600 0.089 0.000 0.979 200 E CA 0.645 57.101 56.400 0.092 0.000 0.802 200 E CB -0.000 29.747 29.700 0.079 0.000 0.763 200 E HN 0.547 nan 8.360 nan 0.000 0.449 201 R N 0.510 121.016 120.500 0.010 0.000 2.073 201 R HA -0.052 4.287 4.340 -0.000 0.000 0.234 201 R C 0.898 177.218 176.300 0.033 0.000 1.134 201 R CA 1.088 57.175 56.100 -0.021 0.000 0.952 201 R CB 0.105 30.354 30.300 -0.086 0.000 0.850 201 R HN 0.150 nan 8.270 nan 0.000 0.433 202 E N -0.052 120.165 120.200 0.029 0.000 2.451 202 E HA 0.062 4.412 4.350 -0.000 0.000 0.295 202 E C -1.605 175.013 176.600 0.031 0.000 0.966 202 E CA -0.615 55.807 56.400 0.037 0.000 0.808 202 E CB 0.926 30.640 29.700 0.023 0.000 1.242 202 E HN -0.086 nan 8.360 nan 0.000 0.412 203 L N 4.158 125.404 121.223 0.038 0.000 2.525 203 L HA 0.332 4.672 4.340 -0.000 0.000 0.278 203 L C 1.328 178.216 176.870 0.030 0.000 1.218 203 L CA 2.608 57.469 54.840 0.036 0.000 0.878 203 L CB 0.490 42.570 42.059 0.034 0.000 1.127 203 L HN 0.935 nan 8.230 nan 0.000 0.492 204 G N 2.268 111.087 108.800 0.032 0.000 2.175 204 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.244 204 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.244 204 G C 0.314 175.226 174.900 0.021 0.000 0.982 204 G CA 0.234 45.354 45.100 0.033 0.000 0.641 204 G HN 0.986 nan 8.290 nan 0.000 0.527 205 S N -0.372 115.325 115.700 -0.004 0.000 2.482 205 S HA 0.829 5.299 4.470 -0.000 0.000 0.303 205 S C -0.056 174.471 174.600 -0.122 0.000 1.091 205 S CA 0.591 58.755 58.200 -0.061 0.000 1.057 205 S CB 1.824 64.990 63.200 -0.058 0.000 1.031 205 S HN 0.689 nan 8.310 nan 0.000 0.485 206 S N 1.762 117.274 115.700 -0.314 0.000 2.632 206 S HA 0.947 5.417 4.470 -0.000 0.000 0.289 206 S C -0.326 173.817 174.600 -0.762 0.000 1.115 206 S CA -0.642 57.263 58.200 -0.492 0.000 0.889 206 S CB 1.827 64.731 63.200 -0.493 0.000 1.116 206 S HN 1.070 nan 8.310 nan 0.000 0.486 207 G N 0.502 108.963 108.800 -0.565 0.000 2.733 207 G HA2 0.606 4.566 3.960 -0.000 0.000 0.297 207 G HA3 0.606 4.566 3.960 -0.000 0.000 0.297 207 G C -2.231 172.644 174.900 -0.042 0.000 1.422 207 G CA -0.490 44.432 45.100 -0.296 0.000 0.942 207 G HN 0.559 nan 8.290 nan 0.000 0.510 208 L N 1.213 122.557 121.223 0.203 0.000 2.381 208 L HA 0.881 5.221 4.340 -0.000 0.000 0.274 208 L C -0.435 176.561 176.870 0.210 0.000 0.988 208 L CA -0.566 54.422 54.840 0.245 0.000 0.824 208 L CB 2.133 44.430 42.059 0.397 0.000 1.263 208 L HN 0.520 nan 8.230 nan 0.000 0.410 209 S N 4.053 119.835 115.700 0.136 0.000 2.538 209 S HA 0.794 5.263 4.470 -0.000 0.000 0.288 209 S C -1.334 173.329 174.600 0.104 0.000 1.108 209 S CA -0.317 57.972 58.200 0.149 0.000 0.971 209 S CB 0.632 63.854 63.200 0.037 0.000 1.041 209 S HN 0.423 nan 8.310 nan 0.000 0.483 210 F N 4.074 124.081 119.950 0.095 0.000 2.546 210 F HA 0.588 5.115 4.527 -0.000 0.000 0.320 210 F C -2.027 173.818 175.800 0.075 0.000 1.076 210 F CA -1.943 56.118 58.000 0.102 0.000 0.928 210 F CB 2.035 41.084 39.000 0.081 0.000 1.189 210 F HN 0.347 nan 8.300 nan 0.000 0.465 211 P HA 0.229 nan 4.420 nan 0.000 0.275 211 P C -1.073 176.321 177.300 0.156 0.000 1.227 211 P CA -0.031 63.157 63.100 0.146 0.000 0.781 211 P CB 1.040 32.800 31.700 0.101 0.000 0.906 212 L N 2.995 124.290 121.223 0.121 0.000 2.307 212 L HA 0.524 4.864 4.340 -0.000 0.000 0.284 212 L C 0.494 177.416 176.870 0.088 0.000 1.023 212 L CA -1.058 53.842 54.840 0.100 0.000 0.810 212 L CB 1.828 43.944 42.059 0.095 0.000 1.231 212 L HN 0.219 nan 8.230 nan 0.000 0.423 213 V N -1.211 118.750 119.914 0.078 0.000 2.815 213 V HA 0.619 4.739 4.120 -0.000 0.000 0.314 213 V C -0.560 175.578 176.094 0.072 0.000 1.064 213 V CA -0.878 61.467 62.300 0.075 0.000 0.952 213 V CB 1.877 33.742 31.823 0.070 0.000 1.020 213 V HN 0.770 nan 8.190 nan 0.000 0.439 214 D N 2.365 122.821 120.400 0.094 0.000 2.440 214 D HA 0.213 4.853 4.640 -0.000 0.000 0.269 214 D C 1.412 177.744 176.300 0.053 0.000 1.249 214 D CA 0.198 54.260 54.000 0.104 0.000 1.055 214 D CB 0.387 41.304 40.800 0.194 0.000 1.104 214 D HN 0.759 nan 8.370 nan 0.000 0.561 215 S N -1.669 114.007 115.700 -0.040 0.000 2.474 215 S HA -0.190 4.279 4.470 -0.000 0.000 0.235 215 S C 1.074 175.510 174.600 -0.273 0.000 0.997 215 S CA 0.857 58.936 58.200 -0.201 0.000 0.949 215 S CB -0.889 62.116 63.200 -0.325 0.000 0.766 215 S HN 0.572 nan 8.310 nan 0.000 0.517 216 H N 0.730 119.810 119.070 0.016 0.000 2.553 216 H HA 0.461 5.017 4.556 -0.000 0.000 0.265 216 H C 1.751 177.089 175.328 0.017 0.000 0.964 216 H CA 0.063 56.119 56.048 0.014 0.000 1.156 216 H CB -0.110 29.660 29.762 0.013 0.000 1.411 216 H HN 0.502 nan 8.280 nan 0.000 0.558 217 G N 0.562 109.429 108.800 0.111 0.000 2.157 217 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.248 217 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.248 217 G C 0.340 175.290 174.900 0.083 0.000 0.979 217 G CA 0.294 45.441 45.100 0.079 0.000 0.650 217 G HN 0.400 nan 8.290 nan 0.000 0.529 218 T N 1.015 115.632 114.554 0.106 0.000 2.901 218 T HA 0.431 4.780 4.350 -0.000 0.000 0.301 218 T C 0.791 175.534 174.700 0.072 0.000 1.012 218 T CA -0.124 62.021 62.100 0.076 0.000 1.135 218 T CB 2.150 71.055 68.868 0.063 0.000 0.936 218 T HN 0.422 nan 8.240 nan 0.000 0.539 219 V N 5.108 125.057 119.914 0.057 0.000 2.439 219 V HA 0.072 4.192 4.120 -0.000 0.000 0.271 219 V C 1.360 177.493 176.094 0.065 0.000 1.040 219 V CA 0.096 62.432 62.300 0.061 0.000 1.002 219 V CB 0.610 32.462 31.823 0.048 0.000 1.000 219 V HN 0.897 nan 8.190 nan 0.000 0.477 220 V N 2.107 122.068 119.914 0.078 0.000 3.621 220 V HA 0.788 4.908 4.120 -0.000 0.000 0.263 220 V C 0.587 176.742 176.094 0.102 0.000 1.272 220 V CA 0.742 63.094 62.300 0.087 0.000 1.080 220 V CB 0.027 31.905 31.823 0.091 0.000 0.816 220 V HN 0.917 nan 8.190 nan 0.000 0.451 221 A N -0.310 122.571 122.820 0.102 0.000 2.586 221 A HA 0.929 5.249 4.320 -0.000 0.000 0.290 221 A C -1.005 176.651 177.584 0.119 0.000 1.086 221 A CA -0.202 51.907 52.037 0.120 0.000 0.665 221 A CB 1.015 20.092 19.000 0.129 0.000 1.279 221 A HN 1.541 nan 8.150 nan 0.000 0.423 222 A N 0.324 123.232 122.820 0.147 0.000 2.375 222 A HA 0.633 4.953 4.320 -0.000 0.000 0.291 222 A C -1.101 176.604 177.584 0.202 0.000 1.160 222 A CA -0.374 51.752 52.037 0.148 0.000 0.747 222 A CB 0.674 19.727 19.000 0.090 0.000 1.170 222 A HN 1.715 nan 8.150 nan 0.000 0.458 223 L N 2.863 124.196 121.223 0.184 0.000 2.313 223 L HA 0.646 4.986 4.340 -0.000 0.000 0.282 223 L C -0.261 176.730 176.870 0.201 0.000 1.092 223 L CA 1.052 55.992 54.840 0.167 0.000 0.831 223 L CB 0.946 43.077 42.059 0.121 0.000 1.159 223 L HN 0.657 nan 8.230 nan 0.000 0.442 224 T N 5.886 120.554 114.554 0.190 0.000 2.971 224 T HA 0.485 4.835 4.350 -0.000 0.000 0.304 224 T C -0.561 174.235 174.700 0.160 0.000 1.038 224 T CA -0.559 61.667 62.100 0.210 0.000 1.007 224 T CB 1.204 70.254 68.868 0.302 0.000 1.055 224 T HN 0.372 nan 8.240 nan 0.000 0.451 225 L N 2.336 123.665 121.223 0.175 0.000 2.312 225 L HA 0.791 5.131 4.340 -0.000 0.000 0.281 225 L C 0.756 177.775 176.870 0.249 0.000 1.070 225 L CA -0.634 54.314 54.840 0.181 0.000 0.805 225 L CB 1.188 43.344 42.059 0.162 0.000 1.174 225 L HN 0.805 nan 8.230 nan 0.000 0.434 226 G N 0.837 109.748 108.800 0.186 0.000 2.571 226 G HA2 0.785 4.745 3.960 -0.000 0.000 0.304 226 G HA3 0.785 4.745 3.960 -0.000 0.000 0.304 226 G C -0.755 174.215 174.900 0.117 0.000 1.314 226 G CA -0.262 44.861 45.100 0.039 0.000 0.975 226 G HN 0.895 nan 8.290 nan 0.000 0.485 227 G N 0.489 109.281 108.800 -0.013 0.000 2.321 227 G HA2 0.646 4.606 3.960 -0.000 0.000 0.296 227 G HA3 0.646 4.606 3.960 -0.000 0.000 0.296 227 G C -3.374 171.581 174.900 0.092 0.000 1.287 227 G CA -0.642 44.570 45.100 0.187 0.000 0.846 227 G HN 0.588 nan 8.290 nan 0.000 0.508 228 P HA 0.205 nan 4.420 nan 0.000 0.271 228 P C 0.896 178.344 177.300 0.247 0.000 1.216 228 P CA 0.243 63.440 63.100 0.162 0.000 0.771 228 P CB 1.227 33.019 31.700 0.153 0.000 0.864 229 T N 2.877 117.517 114.554 0.143 0.000 2.699 229 T HA -0.153 4.196 4.350 -0.000 0.000 0.268 229 T C 2.027 176.858 174.700 0.220 0.000 1.036 229 T CA 2.249 64.461 62.100 0.186 0.000 1.147 229 T CB -0.894 68.035 68.868 0.101 0.000 0.862 229 T HN 0.667 nan 8.240 nan 0.000 0.446 230 G N 0.837 109.728 108.800 0.150 0.000 2.535 230 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 230 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 230 G C 1.560 176.536 174.900 0.128 0.000 1.122 230 G CA 0.137 45.301 45.100 0.106 0.000 0.769 230 G HN 0.448 nan 8.290 nan 0.000 0.549 231 R N -0.970 119.667 120.500 0.228 0.000 2.312 231 R HA 0.180 4.520 4.340 -0.000 0.000 0.205 231 R C 0.178 176.520 176.300 0.070 0.000 0.904 231 R CA -0.159 56.044 56.100 0.173 0.000 1.052 231 R CB 0.173 30.602 30.300 0.216 0.000 1.014 231 R HN 0.318 nan 8.270 nan 0.000 0.503 232 F N 1.640 121.646 119.950 0.093 0.000 2.986 232 F HA 0.111 4.638 4.527 -0.000 0.000 0.297 232 F C 0.868 176.689 175.800 0.036 0.000 1.210 232 F CA -0.386 57.678 58.000 0.107 0.000 1.346 232 F CB 0.025 39.217 39.000 0.319 0.000 1.007 232 F HN -0.143 nan 8.300 nan 0.000 0.512 233 T N -4.084 110.472 114.554 0.004 0.000 2.847 233 T HA 0.194 4.544 4.350 -0.000 0.000 0.279 233 T C 1.234 175.900 174.700 -0.057 0.000 0.984 233 T CA -0.630 61.452 62.100 -0.030 0.000 0.988 233 T CB 1.211 70.052 68.868 -0.045 0.000 1.040 233 T HN 0.307 nan 8.240 nan 0.000 0.528 234 E N 0.451 120.630 120.200 -0.034 0.000 2.347 234 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 234 E C 1.424 177.996 176.600 -0.046 0.000 1.008 234 E CA 0.812 57.202 56.400 -0.018 0.000 0.852 234 E CB 0.019 29.722 29.700 0.004 0.000 0.783 234 E HN 0.724 nan 8.360 nan 0.000 0.505 235 D N -0.132 120.228 120.400 -0.068 0.000 2.347 235 D HA -0.086 4.554 4.640 -0.000 0.000 0.213 235 D C 1.559 177.788 176.300 -0.119 0.000 0.985 235 D CA 0.383 54.340 54.000 -0.072 0.000 0.879 235 D CB 0.051 40.816 40.800 -0.059 0.000 0.919 235 D HN 0.104 nan 8.370 nan 0.000 0.526 236 R N 0.037 120.410 120.500 -0.211 0.000 2.257 236 R HA 0.073 4.413 4.340 -0.000 0.000 0.195 236 R C 2.264 178.208 176.300 -0.594 0.000 0.921 236 R CA 0.965 56.829 56.100 -0.393 0.000 1.069 236 R CB 0.084 30.052 30.300 -0.553 0.000 1.115 236 R HN 0.236 nan 8.270 nan 0.000 0.571 237 T N -0.736 113.545 114.554 -0.455 0.000 2.915 237 T HA 0.028 4.378 4.350 -0.000 0.000 0.269 237 T C -1.178 173.461 174.700 -0.102 0.000 1.071 237 T CA 0.471 62.374 62.100 -0.328 0.000 1.132 237 T CB -0.887 67.928 68.868 -0.088 0.000 0.878 237 T HN 0.005 nan 8.240 nan 0.000 0.479 238 P HA -0.161 nan 4.420 nan 0.000 0.215 238 P C 1.531 178.856 177.300 0.041 0.000 1.153 238 P CA 1.230 64.334 63.100 0.008 0.000 0.853 238 P CB -0.241 31.471 31.700 0.020 0.000 0.788 239 H N -1.654 117.395 119.070 -0.034 0.000 2.326 239 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 239 H C 1.756 177.153 175.328 0.114 0.000 1.081 239 H CA 1.399 57.461 56.048 0.023 0.000 1.334 239 H CB -0.405 29.371 29.762 0.023 0.000 1.385 239 H HN 0.055 nan 8.280 nan 0.000 0.504 240 Y N 0.938 121.135 120.300 -0.172 0.000 2.151 240 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 240 Y C 2.925 178.693 175.900 -0.219 0.000 1.166 240 Y CA 0.903 58.862 58.100 -0.235 0.000 1.163 240 Y CB -0.862 37.482 38.460 -0.194 0.000 0.974 240 Y HN 0.229 nan 8.280 nan 0.000 0.511 241 I N -0.291 120.289 120.570 0.018 0.000 2.252 241 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 241 I C 2.282 178.315 176.117 -0.141 0.000 1.102 241 I CA 1.212 62.482 61.300 -0.050 0.000 1.385 241 I CB -0.264 37.653 38.000 -0.138 0.000 1.064 241 I HN 0.116 nan 8.210 nan 0.000 0.414 242 E N 0.253 120.379 120.200 -0.123 0.000 2.077 242 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 242 E C 2.382 178.848 176.600 -0.223 0.000 0.989 242 E CA 1.427 57.746 56.400 -0.135 0.000 0.800 242 E CB -0.481 29.181 29.700 -0.064 0.000 0.746 242 E HN 0.545 nan 8.360 nan 0.000 0.452 243 C N 0.428 119.549 119.300 -0.298 0.000 2.476 243 C HA -0.036 4.424 4.460 -0.000 0.000 0.278 243 C C 2.873 177.679 174.990 -0.307 0.000 1.274 243 C CA 1.091 59.931 59.018 -0.297 0.000 1.713 243 C CB -0.957 26.560 27.740 -0.372 0.000 2.039 243 C HN 0.453 nan 8.230 nan 0.000 0.484 244 T N 0.394 114.727 114.554 -0.369 0.000 2.821 244 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 244 T C 1.988 176.210 174.700 -0.797 0.000 1.046 244 T CA 1.187 63.015 62.100 -0.453 0.000 1.139 244 T CB -0.284 68.400 68.868 -0.306 0.000 0.871 244 T HN 0.544 nan 8.240 nan 0.000 0.454 245 R N 1.062 120.910 120.500 -1.088 0.000 2.070 245 R HA -0.055 4.285 4.340 -0.000 0.000 0.233 245 R C 2.657 178.711 176.300 -0.411 0.000 1.137 245 R CA 1.516 57.019 56.100 -0.995 0.000 0.945 245 R CB -0.522 29.458 30.300 -0.534 0.000 0.845 245 R HN 0.362 nan 8.270 nan 0.000 0.430 246 A N 0.753 123.402 122.820 -0.286 0.000 1.908 246 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 246 A C 2.367 179.862 177.584 -0.147 0.000 1.181 246 A CA 1.852 53.792 52.037 -0.162 0.000 0.627 246 A CB -0.817 18.106 19.000 -0.128 0.000 0.818 246 A HN 0.576 nan 8.150 nan 0.000 0.445 247 A N -0.244 122.469 122.820 -0.180 0.000 1.902 247 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 247 A C 2.510 180.035 177.584 -0.099 0.000 1.181 247 A CA 2.118 54.079 52.037 -0.127 0.000 0.623 247 A CB -1.007 17.916 19.000 -0.129 0.000 0.818 247 A HN 1.076 nan 8.150 nan 0.000 0.443 248 A N -0.232 122.509 122.820 -0.132 0.000 1.898 248 A HA -0.156 4.163 4.320 -0.000 0.000 0.216 248 A C 1.918 179.492 177.584 -0.017 0.000 1.181 248 A CA 1.599 53.607 52.037 -0.047 0.000 0.620 248 A CB -0.511 18.477 19.000 -0.019 0.000 0.819 248 A HN 0.639 nan 8.150 nan 0.000 0.442 249 E N -0.251 119.924 120.200 -0.042 0.000 2.077 249 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 249 E C 2.019 178.611 176.600 -0.014 0.000 0.989 249 E CA 1.432 57.824 56.400 -0.013 0.000 0.800 249 E CB -0.192 29.495 29.700 -0.022 0.000 0.746 249 E HN 0.746 nan 8.360 nan 0.000 0.452 250 E N 0.613 120.796 120.200 -0.029 0.000 2.051 250 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 250 E C 2.145 178.738 176.600 -0.012 0.000 0.991 250 E CA 0.895 57.282 56.400 -0.023 0.000 0.799 250 E CB -0.073 29.607 29.700 -0.033 0.000 0.748 250 E HN 0.246 nan 8.360 nan 0.000 0.449 251 I N 0.812 121.376 120.570 -0.010 0.000 2.252 251 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 251 I C 2.350 178.476 176.117 0.015 0.000 1.102 251 I CA 0.727 62.029 61.300 0.004 0.000 1.385 251 I CB -0.136 37.870 38.000 0.009 0.000 1.064 251 I HN 0.004 nan 8.210 nan 0.000 0.414 252 S N 0.783 116.495 115.700 0.020 0.000 2.370 252 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 252 S C 2.216 176.825 174.600 0.015 0.000 1.033 252 S CA 1.517 59.734 58.200 0.027 0.000 1.011 252 S CB -0.375 62.847 63.200 0.036 0.000 0.852 252 S HN 0.566 nan 8.310 nan 0.000 0.457 253 A N 0.983 123.808 122.820 0.007 0.000 1.929 253 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 253 A C 2.051 179.634 177.584 -0.002 0.000 1.176 253 A CA 0.896 52.933 52.037 -0.000 0.000 0.628 253 A CB -0.571 18.427 19.000 -0.004 0.000 0.816 253 A HN 0.477 nan 8.150 nan 0.000 0.444 254 I N -0.829 119.741 120.570 -0.000 0.000 2.252 254 I HA 0.057 4.227 4.170 -0.000 0.000 0.245 254 I C 1.349 177.468 176.117 0.002 0.000 1.102 254 I CA 1.114 62.414 61.300 -0.001 0.000 1.385 254 I CB -0.494 37.506 38.000 -0.000 0.000 1.064 254 I HN 0.520 nan 8.210 nan 0.000 0.414 255 G N 0.917 109.722 108.800 0.009 0.000 2.675 255 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 255 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 255 G C -0.797 174.114 174.900 0.018 0.000 1.215 255 G CA -0.920 44.188 45.100 0.013 0.000 0.777 255 G HN 0.119 nan 8.290 nan 0.000 0.638 256 L N 2.850 124.088 121.223 0.026 0.000 2.445 256 L HA 0.296 4.635 4.340 -0.000 0.000 0.252 256 L C -1.183 175.695 176.870 0.014 0.000 1.105 256 L CA -1.770 53.087 54.840 0.029 0.000 0.943 256 L CB 1.790 43.882 42.059 0.054 0.000 1.277 256 L HN 0.405 nan 8.230 nan 0.000 0.465 257 P HA -0.183 nan 4.420 nan 0.000 0.216 257 P C 1.460 178.733 177.300 -0.046 0.000 1.154 257 P CA 1.088 64.176 63.100 -0.020 0.000 0.865 257 P CB 0.253 31.936 31.700 -0.028 0.000 0.789 258 G N -1.649 107.101 108.800 -0.083 0.000 3.155 258 G HA2 0.186 4.146 3.960 -0.000 0.000 0.213 258 G HA3 0.186 4.146 3.960 -0.000 0.000 0.213 258 G C 0.319 175.120 174.900 -0.165 0.000 1.196 258 G CA 0.027 45.023 45.100 -0.174 0.000 0.846 258 G HN 0.182 nan 8.290 nan 0.000 0.516 259 L N 0.000 121.199 121.223 -0.040 0.000 2.949 259 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 259 L CA 0.000 54.861 54.840 0.035 0.000 0.813 259 L CB 0.000 42.118 42.059 0.099 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502