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 1of6_1_D DATA FIRST_RESID 18 DATA SEQUENCE GAEEDVRILG YDPLASPALL QVQIPATPTS LETAKRGRRE AIDIITGKDD DATA SEQUENCE RVLVIVGPCS IHDLEAAQEY ALRLKKLSDE LKGDLSIIMR AYLEKPRXXV DATA SEQUENCE GWKGLINDPD VNNTFNINKG LQSARQLFVN LTNIGLPIGS EMLDTISPQY DATA SEQUENCE LADLVSFGAI GARTTESQLH RELASGLSFP VGFKNGTDGT LNVAVDACQA DATA SEQUENCE AAHSHHFMGV TKHGVAAITT TKGNEHCFVI LRGGKKGTNY DAKSVAEAKA DATA SEQUENCE QLPAGSNGLM IDYSHGNSNK DFRNQPKVND VVCEQIANGE NAITGVMIES DATA SEQUENCE NINEGNQGIP AEGKAGLKYG VSITDACIGW ETTEDVLRKL AAAVRQRREV DATA SEQUENCE N 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 -0.001 0.000 0.244 18 G C 0.000 174.903 174.900 0.004 0.000 0.946 18 G CA 0.000 45.102 45.100 0.004 0.000 0.502 19 A N 0.625 123.449 122.820 0.005 0.000 2.520 19 A HA 0.531 4.851 4.320 -0.001 0.000 0.245 19 A C 0.300 177.889 177.584 0.009 0.000 1.072 19 A CA 0.330 52.370 52.037 0.007 0.000 0.761 19 A CB 0.344 19.348 19.000 0.007 0.000 1.004 19 A HN 0.331 nan 8.150 nan 0.000 0.499 20 E N 2.723 122.928 120.200 0.008 0.000 2.070 20 E HA 0.284 4.634 4.350 -0.001 0.000 0.261 20 E C -0.516 176.092 176.600 0.012 0.000 0.926 20 E CA -0.090 56.316 56.400 0.009 0.000 0.760 20 E CB 0.284 29.987 29.700 0.006 0.000 1.133 20 E HN 0.777 nan 8.360 nan 0.000 0.420 21 E N 2.378 122.588 120.200 0.017 0.000 2.359 21 E HA 0.173 4.522 4.350 -0.001 0.000 0.266 21 E C -0.661 175.956 176.600 0.028 0.000 0.920 21 E CA -0.863 55.552 56.400 0.024 0.000 0.788 21 E CB 1.268 30.988 29.700 0.033 0.000 1.279 21 E HN 0.376 nan 8.360 nan 0.000 0.438 22 D N 0.101 120.519 120.400 0.031 0.000 2.983 22 D HA -0.177 4.463 4.640 -0.001 0.000 0.225 22 D C 1.154 177.452 176.300 -0.003 0.000 1.174 22 D CA 1.108 55.121 54.000 0.022 0.000 0.831 22 D CB -1.693 39.147 40.800 0.066 0.000 1.104 22 D HN 0.345 nan 8.370 nan 0.000 0.421 23 V N -1.984 117.928 119.914 -0.003 0.000 2.720 23 V HA -0.145 3.975 4.120 -0.001 0.000 0.256 23 V C 1.569 177.648 176.094 -0.024 0.000 1.082 23 V CA 1.628 63.922 62.300 -0.011 0.000 1.101 23 V CB -0.209 31.611 31.823 -0.005 0.000 0.693 23 V HN 0.275 nan 8.190 nan 0.000 0.479 24 R N 0.147 120.627 120.500 -0.033 0.000 2.613 24 R HA 0.461 4.801 4.340 -0.001 0.000 0.361 24 R C -0.586 175.664 176.300 -0.083 0.000 1.072 24 R CA -0.363 55.708 56.100 -0.049 0.000 1.089 24 R CB 0.589 30.865 30.300 -0.040 0.000 1.343 24 R HN 0.354 nan 8.270 nan 0.000 0.571 25 I N 1.741 122.249 120.570 -0.104 0.000 2.339 25 I HA 0.125 4.295 4.170 -0.001 0.000 0.290 25 I C 1.271 177.283 176.117 -0.175 0.000 0.994 25 I CA -0.458 60.729 61.300 -0.189 0.000 1.191 25 I CB 1.645 39.491 38.000 -0.256 0.000 1.343 25 I HN 0.126 nan 8.210 nan 0.000 0.458 26 L N 5.266 126.379 121.223 -0.183 0.000 2.341 26 L HA 0.270 4.609 4.340 -0.001 0.000 0.214 26 L C 1.010 177.790 176.870 -0.150 0.000 1.115 26 L CA 0.290 55.047 54.840 -0.137 0.000 0.820 26 L CB -0.066 41.924 42.059 -0.116 0.000 0.944 26 L HN 0.816 nan 8.230 nan 0.000 0.452 27 G N -1.801 106.844 108.800 -0.257 0.000 2.340 27 G HA2 0.313 4.273 3.960 -0.001 0.000 0.298 27 G HA3 0.313 4.273 3.960 -0.001 0.000 0.298 27 G C -2.089 172.601 174.900 -0.350 0.000 1.498 27 G CA -0.720 44.254 45.100 -0.209 0.000 0.847 27 G HN -0.188 nan 8.290 nan 0.000 0.594 28 Y N 0.693 120.978 120.300 -0.025 0.000 2.328 28 Y HA 0.547 5.097 4.550 -0.001 0.000 0.333 28 Y C -0.332 175.558 175.900 -0.016 0.000 0.958 28 Y CA -0.710 57.377 58.100 -0.021 0.000 1.167 28 Y CB 2.118 40.571 38.460 -0.013 0.000 1.151 28 Y HN 0.337 nan 8.280 nan 0.000 0.470 29 D N 4.559 125.021 120.400 0.103 0.000 2.198 29 D HA 0.386 5.026 4.640 -0.001 0.000 0.247 29 D C -2.279 174.062 176.300 0.067 0.000 1.010 29 D CA -1.510 52.525 54.000 0.057 0.000 0.880 29 D CB 1.302 42.111 40.800 0.015 0.000 1.209 29 D HN 0.280 nan 8.370 nan 0.000 0.451 30 P HA 0.340 nan 4.420 nan 0.000 0.277 30 P C -1.146 176.184 177.300 0.049 0.000 1.240 30 P CA -0.665 62.466 63.100 0.053 0.000 0.798 30 P CB 0.956 32.681 31.700 0.043 0.000 0.979 31 L N 1.669 122.928 121.223 0.061 0.000 2.409 31 L HA 0.606 4.945 4.340 -0.001 0.000 0.272 31 L C -0.326 176.602 176.870 0.098 0.000 0.980 31 L CA -0.985 53.899 54.840 0.073 0.000 0.826 31 L CB 1.468 43.582 42.059 0.092 0.000 1.268 31 L HN 0.589 nan 8.230 nan 0.000 0.407 32 A N 3.207 126.088 122.820 0.102 0.000 2.520 32 A HA 0.446 4.766 4.320 -0.001 0.000 0.245 32 A C 0.552 178.268 177.584 0.220 0.000 1.072 32 A CA 0.459 52.574 52.037 0.130 0.000 0.761 32 A CB -0.317 18.751 19.000 0.113 0.000 1.004 32 A HN 0.972 nan 8.150 nan 0.000 0.499 33 S N 3.069 118.834 115.700 0.109 0.000 2.573 33 S HA 0.235 4.705 4.470 -0.001 0.000 0.277 33 S C -1.762 172.750 174.600 -0.147 0.000 1.346 33 S CA -0.536 57.663 58.200 -0.002 0.000 1.034 33 S CB 0.408 63.576 63.200 -0.054 0.000 0.879 33 S HN 0.475 nan 8.310 nan 0.000 0.528 34 P HA -0.138 nan 4.420 nan 0.000 0.215 34 P C 1.722 178.830 177.300 -0.320 0.000 1.157 34 P CA 2.194 64.831 63.100 -0.770 0.000 0.874 34 P CB -0.316 30.915 31.700 -0.781 0.000 0.790 35 A N -0.707 121.931 122.820 -0.304 0.000 1.892 35 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 35 A C 2.196 179.694 177.584 -0.144 0.000 1.188 35 A CA 1.873 53.756 52.037 -0.257 0.000 0.631 35 A CB -1.761 16.937 19.000 -0.503 0.000 0.822 35 A HN 0.164 nan 8.150 nan 0.000 0.447 36 L N -0.378 120.780 121.223 -0.109 0.000 1.990 36 L HA -0.163 4.177 4.340 -0.001 0.000 0.213 36 L C 2.380 179.255 176.870 0.008 0.000 1.072 36 L CA 1.904 56.728 54.840 -0.026 0.000 0.755 36 L CB -0.474 41.590 42.059 0.009 0.000 0.889 36 L HN 0.433 nan 8.230 nan 0.000 0.432 37 L N -1.167 120.084 121.223 0.047 0.000 2.083 37 L HA -0.235 4.105 4.340 -0.001 0.000 0.209 37 L C 2.596 179.493 176.870 0.044 0.000 1.083 37 L CA 1.276 56.164 54.840 0.081 0.000 0.752 37 L CB -0.360 41.817 42.059 0.196 0.000 0.899 37 L HN 0.451 nan 8.230 nan 0.000 0.433 38 Q N -1.148 118.660 119.800 0.013 0.000 2.291 38 Q HA -0.139 4.201 4.340 -0.001 0.000 0.205 38 Q C 2.159 178.161 176.000 0.003 0.000 0.970 38 Q CA 0.938 56.744 55.803 0.005 0.000 0.876 38 Q CB 0.186 28.910 28.738 -0.023 0.000 0.935 38 Q HN 0.391 nan 8.270 nan 0.000 0.455 39 V N 0.235 120.147 119.914 -0.004 0.000 2.446 39 V HA -0.189 3.931 4.120 -0.001 0.000 0.244 39 V C 1.930 178.030 176.094 0.011 0.000 1.039 39 V CA 1.364 63.665 62.300 0.002 0.000 1.045 39 V CB -0.262 31.559 31.823 -0.003 0.000 0.681 39 V HN 0.293 nan 8.190 nan 0.000 0.459 40 Q N -0.431 119.378 119.800 0.015 0.000 2.170 40 Q HA 0.021 4.361 4.340 -0.001 0.000 0.203 40 Q C 0.522 176.533 176.000 0.019 0.000 0.976 40 Q CA 1.137 56.950 55.803 0.018 0.000 0.858 40 Q CB 0.143 28.894 28.738 0.021 0.000 0.907 40 Q HN 0.530 nan 8.270 nan 0.000 0.433 41 I N 1.892 122.475 120.570 0.022 0.000 2.750 41 I HA 0.236 4.405 4.170 -0.001 0.000 0.279 41 I C -2.358 173.775 176.117 0.027 0.000 1.206 41 I CA -2.034 59.280 61.300 0.023 0.000 1.101 41 I CB 1.266 39.279 38.000 0.022 0.000 1.431 41 I HN -0.094 nan 8.210 nan 0.000 0.551 42 P HA 0.241 nan 4.420 nan 0.000 0.278 42 P C -0.355 176.963 177.300 0.031 0.000 1.238 42 P CA -0.236 62.878 63.100 0.024 0.000 0.794 42 P CB 1.507 33.218 31.700 0.019 0.000 0.955 43 A N 2.552 125.393 122.820 0.035 0.000 2.354 43 A HA 0.498 4.818 4.320 -0.001 0.000 0.269 43 A C 0.877 178.480 177.584 0.031 0.000 1.109 43 A CA -0.174 51.887 52.037 0.040 0.000 0.800 43 A CB -0.415 18.613 19.000 0.046 0.000 1.045 43 A HN 0.655 nan 8.150 nan 0.000 0.489 44 T N 0.191 114.764 114.554 0.030 0.000 2.788 44 T HA 0.383 4.733 4.350 -0.001 0.000 0.287 44 T C -1.912 172.802 174.700 0.023 0.000 1.007 44 T CA -1.188 60.926 62.100 0.024 0.000 1.005 44 T CB 0.462 69.343 68.868 0.022 0.000 1.012 44 T HN 0.318 nan 8.240 nan 0.000 0.530 45 P HA -0.032 nan 4.420 nan 0.000 0.219 45 P C 1.509 178.819 177.300 0.018 0.000 1.146 45 P CA 0.952 64.063 63.100 0.018 0.000 0.808 45 P CB -0.122 31.587 31.700 0.015 0.000 0.779 46 T N -1.336 113.229 114.554 0.017 0.000 2.770 46 T HA -0.086 4.263 4.350 -0.001 0.000 0.263 46 T C 1.959 176.669 174.700 0.017 0.000 1.039 46 T CA 1.491 63.600 62.100 0.015 0.000 1.142 46 T CB -0.846 68.030 68.868 0.013 0.000 0.868 46 T HN 0.060 nan 8.240 nan 0.000 0.435 47 S N 1.673 117.386 115.700 0.022 0.000 2.378 47 S HA -0.120 4.349 4.470 -0.001 0.000 0.229 47 S C 2.007 176.622 174.600 0.025 0.000 1.052 47 S CA 1.314 59.530 58.200 0.026 0.000 1.084 47 S CB -0.632 62.591 63.200 0.038 0.000 0.950 47 S HN 0.365 nan 8.310 nan 0.000 0.440 48 L N 0.735 121.975 121.223 0.028 0.000 2.093 48 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 48 L C 2.673 179.559 176.870 0.027 0.000 1.085 48 L CA 1.227 56.085 54.840 0.031 0.000 0.755 48 L CB -0.506 41.572 42.059 0.032 0.000 0.904 48 L HN 0.249 nan 8.230 nan 0.000 0.435 49 E N 0.232 120.445 120.200 0.022 0.000 2.077 49 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 49 E C 2.054 178.664 176.600 0.016 0.000 0.989 49 E CA 1.859 58.271 56.400 0.019 0.000 0.800 49 E CB -0.166 29.543 29.700 0.016 0.000 0.746 49 E HN 0.230 nan 8.360 nan 0.000 0.452 50 T N 0.029 114.590 114.554 0.012 0.000 2.788 50 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 50 T C 1.726 176.427 174.700 0.002 0.000 1.044 50 T CA 1.345 63.448 62.100 0.005 0.000 1.139 50 T CB -0.404 68.465 68.868 0.002 0.000 0.867 50 T HN 0.349 nan 8.240 nan 0.000 0.454 51 A N 1.605 124.428 122.820 0.005 0.000 1.898 51 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 51 A C 2.265 179.863 177.584 0.022 0.000 1.181 51 A CA 1.339 53.375 52.037 -0.001 0.000 0.620 51 A CB -0.343 18.660 19.000 0.004 0.000 0.819 51 A HN 0.411 nan 8.150 nan 0.000 0.442 52 K N -0.746 119.674 120.400 0.033 0.000 2.026 52 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 52 K C 2.411 179.031 176.600 0.033 0.000 1.048 52 K CA 1.468 57.781 56.287 0.044 0.000 0.929 52 K CB -0.223 32.301 32.500 0.041 0.000 0.713 52 K HN 0.439 nan 8.250 nan 0.000 0.439 53 R N 0.659 121.172 120.500 0.021 0.000 2.091 53 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 53 R C 2.315 178.620 176.300 0.010 0.000 1.136 53 R CA 1.828 57.936 56.100 0.013 0.000 0.959 53 R CB -0.559 29.745 30.300 0.008 0.000 0.856 53 R HN 0.319 nan 8.270 nan 0.000 0.437 54 G N 0.497 109.303 108.800 0.009 0.000 2.440 54 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 54 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 54 G C 1.460 176.375 174.900 0.024 0.000 1.154 54 G CA 0.762 45.867 45.100 0.007 0.000 0.767 54 G HN 0.336 nan 8.290 nan 0.000 0.552 55 R N -0.018 120.507 120.500 0.042 0.000 2.070 55 R HA 0.018 4.358 4.340 -0.001 0.000 0.233 55 R C 2.880 179.189 176.300 0.016 0.000 1.137 55 R CA 1.332 57.471 56.100 0.064 0.000 0.945 55 R CB -0.324 30.038 30.300 0.103 0.000 0.845 55 R HN 0.266 nan 8.270 nan 0.000 0.430 56 R N 0.684 121.190 120.500 0.011 0.000 2.096 56 R HA -0.187 4.152 4.340 -0.001 0.000 0.240 56 R C 2.216 178.499 176.300 -0.030 0.000 1.139 56 R CA 1.792 57.886 56.100 -0.010 0.000 0.952 56 R CB -0.299 30.004 30.300 0.006 0.000 0.854 56 R HN 0.418 nan 8.270 nan 0.000 0.436 57 E N 0.390 120.577 120.200 -0.021 0.000 2.047 57 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 57 E C 2.146 178.717 176.600 -0.049 0.000 0.987 57 E CA 1.019 57.400 56.400 -0.031 0.000 0.799 57 E CB -0.113 29.573 29.700 -0.023 0.000 0.752 57 E HN 0.370 nan 8.360 nan 0.000 0.449 58 A N 1.491 124.287 122.820 -0.040 0.000 1.883 58 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 58 A C 2.200 179.722 177.584 -0.103 0.000 1.186 58 A CA 1.190 53.195 52.037 -0.053 0.000 0.624 58 A CB -0.717 18.300 19.000 0.029 0.000 0.822 58 A HN 0.139 nan 8.150 nan 0.000 0.444 59 I N 0.020 120.507 120.570 -0.139 0.000 2.118 59 I HA -0.300 3.870 4.170 -0.001 0.000 0.241 59 I C 1.886 177.912 176.117 -0.152 0.000 1.070 59 I CA 1.812 62.948 61.300 -0.273 0.000 1.327 59 I CB -0.546 37.210 38.000 -0.407 0.000 1.034 59 I HN 0.277 nan 8.210 nan 0.000 0.405 60 D N 0.676 121.019 120.400 -0.095 0.000 2.178 60 D HA -0.106 4.534 4.640 -0.001 0.000 0.201 60 D C 2.204 178.468 176.300 -0.061 0.000 0.980 60 D CA 1.222 55.188 54.000 -0.056 0.000 0.842 60 D CB -0.099 40.678 40.800 -0.037 0.000 0.948 60 D HN 0.373 nan 8.370 nan 0.000 0.472 61 I N 1.148 121.668 120.570 -0.083 0.000 2.193 61 I HA -0.187 3.983 4.170 -0.001 0.000 0.240 61 I C 2.498 178.546 176.117 -0.114 0.000 1.084 61 I CA 0.717 61.960 61.300 -0.094 0.000 1.365 61 I CB -0.221 37.714 38.000 -0.109 0.000 1.064 61 I HN -0.009 nan 8.210 nan 0.000 0.410 62 I N -0.984 119.488 120.570 -0.163 0.000 2.614 62 I HA -0.163 4.006 4.170 -0.001 0.000 0.258 62 I C 2.251 178.329 176.117 -0.065 0.000 1.189 62 I CA 1.651 62.837 61.300 -0.190 0.000 1.462 62 I CB -0.877 36.917 38.000 -0.344 0.000 1.092 62 I HN 0.232 nan 8.210 nan 0.000 0.442 63 T N -1.984 112.551 114.554 -0.031 0.000 3.113 63 T HA 0.377 4.727 4.350 -0.001 0.000 0.256 63 T C 1.582 176.286 174.700 0.006 0.000 1.131 63 T CA 0.418 62.528 62.100 0.016 0.000 1.074 63 T CB 0.098 68.992 68.868 0.044 0.000 0.944 63 T HN 0.760 nan 8.240 nan 0.000 0.516 64 G N 1.767 110.558 108.800 -0.015 0.000 2.141 64 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.231 64 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.231 64 G C 0.735 175.631 174.900 -0.007 0.000 0.984 64 G CA 0.246 45.340 45.100 -0.010 0.000 0.660 64 G HN 0.538 nan 8.290 nan 0.000 0.525 65 K N -0.275 120.120 120.400 -0.009 0.000 2.426 65 K HA 0.127 4.446 4.320 -0.001 0.000 0.193 65 K C 0.079 176.672 176.600 -0.012 0.000 1.028 65 K CA 0.447 56.731 56.287 -0.006 0.000 1.047 65 K CB 0.449 32.948 32.500 -0.002 0.000 0.821 65 K HN 0.367 nan 8.250 nan 0.000 0.513 66 D N 1.014 121.401 120.400 -0.020 0.000 2.787 66 D HA 0.019 4.658 4.640 -0.001 0.000 0.246 66 D C -0.472 175.812 176.300 -0.025 0.000 1.150 66 D CA -0.548 53.438 54.000 -0.023 0.000 0.864 66 D CB 1.648 42.430 40.800 -0.030 0.000 1.481 66 D HN -0.034 nan 8.370 nan 0.000 0.509 67 D N 1.949 122.337 120.400 -0.020 0.000 2.339 67 D HA 0.015 4.655 4.640 -0.001 0.000 0.217 67 D C 0.300 176.588 176.300 -0.021 0.000 1.050 67 D CA -0.052 53.938 54.000 -0.018 0.000 0.856 67 D CB 0.032 40.825 40.800 -0.011 0.000 0.922 67 D HN 0.173 nan 8.370 nan 0.000 0.518 68 R N 0.131 120.615 120.500 -0.026 0.000 2.679 68 R HA 0.421 4.761 4.340 -0.001 0.000 0.269 68 R C -0.237 176.037 176.300 -0.042 0.000 1.076 68 R CA -0.610 55.471 56.100 -0.030 0.000 1.160 68 R CB 1.121 31.402 30.300 -0.031 0.000 1.054 68 R HN -0.080 nan 8.270 nan 0.000 0.507 69 V N 3.021 122.910 119.914 -0.042 0.000 2.481 69 V HA 0.110 4.229 4.120 -0.001 0.000 0.286 69 V C -0.129 175.921 176.094 -0.074 0.000 1.042 69 V CA -0.705 61.563 62.300 -0.055 0.000 0.928 69 V CB 1.414 33.215 31.823 -0.038 0.000 0.986 69 V HN 0.420 nan 8.190 nan 0.000 0.462 70 L N 6.986 128.146 121.223 -0.104 0.000 2.313 70 L HA 0.434 4.774 4.340 -0.001 0.000 0.282 70 L C -0.284 176.503 176.870 -0.139 0.000 1.092 70 L CA 0.586 55.349 54.840 -0.127 0.000 0.831 70 L CB 1.070 43.025 42.059 -0.172 0.000 1.159 70 L HN 0.449 nan 8.230 nan 0.000 0.442 71 V N 6.804 126.639 119.914 -0.132 0.000 2.409 71 V HA 0.417 4.536 4.120 -0.001 0.000 0.291 71 V C -0.077 175.924 176.094 -0.156 0.000 1.020 71 V CA -0.650 61.563 62.300 -0.145 0.000 0.848 71 V CB 1.507 33.267 31.823 -0.105 0.000 0.990 71 V HN 0.479 nan 8.190 nan 0.000 0.430 72 I N 5.906 126.357 120.570 -0.199 0.000 2.306 72 I HA 0.470 4.640 4.170 -0.001 0.000 0.288 72 I C -0.204 175.852 176.117 -0.103 0.000 1.036 72 I CA -0.259 60.932 61.300 -0.181 0.000 1.221 72 I CB 1.194 39.006 38.000 -0.313 0.000 1.385 72 I HN 0.395 nan 8.210 nan 0.000 0.472 73 V N 5.952 125.850 119.914 -0.025 0.000 2.709 73 V HA 1.020 5.140 4.120 -0.001 0.000 0.308 73 V C -0.131 176.035 176.094 0.121 0.000 1.062 73 V CA 0.231 62.547 62.300 0.027 0.000 0.901 73 V CB 1.730 33.581 31.823 0.047 0.000 1.003 73 V HN 1.014 nan 8.190 nan 0.000 0.425 74 G N 5.616 114.460 108.800 0.072 0.000 2.341 74 G HA2 0.292 4.252 3.960 -0.001 0.000 0.293 74 G HA3 0.292 4.252 3.960 -0.001 0.000 0.293 74 G C -3.528 171.247 174.900 -0.209 0.000 1.298 74 G CA -0.577 44.486 45.100 -0.061 0.000 0.868 74 G HN 0.663 nan 8.290 nan 0.000 0.540 75 P HA 0.166 nan 4.420 nan 0.000 0.267 75 P C 1.338 178.561 177.300 -0.129 0.000 1.201 75 P CA 0.075 63.030 63.100 -0.243 0.000 0.775 75 P CB 0.816 32.370 31.700 -0.243 0.000 0.854 76 C N 1.753 120.998 119.300 -0.093 0.000 2.398 76 C HA -0.085 4.375 4.460 -0.001 0.000 0.276 76 C C 1.034 176.046 174.990 0.037 0.000 1.222 76 C CA 1.973 60.963 59.018 -0.046 0.000 1.746 76 C CB -1.403 26.338 27.740 0.003 0.000 2.039 76 C HN 0.773 nan 8.230 nan 0.000 0.470 77 S N -0.682 115.089 115.700 0.118 0.000 2.547 77 S HA 0.644 5.114 4.470 -0.001 0.000 0.270 77 S C -1.257 173.503 174.600 0.267 0.000 1.150 77 S CA -0.790 57.567 58.200 0.263 0.000 0.850 77 S CB 1.059 64.495 63.200 0.393 0.000 1.118 77 S HN 0.192 nan 8.310 nan 0.000 0.461 78 I N 4.337 125.089 120.570 0.304 0.000 2.328 78 I HA 0.327 4.496 4.170 -0.001 0.000 0.287 78 I C 1.025 177.321 176.117 0.298 0.000 1.012 78 I CA -0.394 61.012 61.300 0.177 0.000 1.195 78 I CB 0.622 38.708 38.000 0.144 0.000 1.350 78 I HN 1.059 nan 8.210 nan 0.000 0.464 79 H N 2.789 121.853 119.070 -0.011 0.000 2.755 79 H HA 0.283 4.838 4.556 -0.001 0.000 0.273 79 H C -0.655 174.595 175.328 -0.131 0.000 1.055 79 H CA -0.232 55.696 56.048 -0.199 0.000 1.191 79 H CB 1.218 30.432 29.762 -0.913 0.000 1.536 79 H HN 0.468 nan 8.280 nan 0.000 0.529 80 D N 0.959 121.031 120.400 -0.548 0.000 2.479 80 D HA 0.135 4.775 4.640 -0.001 0.000 0.246 80 D C 0.406 176.576 176.300 -0.216 0.000 1.336 80 D CA -0.562 53.198 54.000 -0.400 0.000 0.967 80 D CB 1.598 42.021 40.800 -0.629 0.000 1.275 80 D HN 0.005 nan 8.370 nan 0.000 0.577 81 L N 3.271 124.442 121.223 -0.086 0.000 2.156 81 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 81 L C 1.936 178.798 176.870 -0.015 0.000 1.095 81 L CA 1.402 56.225 54.840 -0.028 0.000 0.770 81 L CB -0.116 41.946 42.059 0.005 0.000 0.914 81 L HN 0.408 nan 8.230 nan 0.000 0.439 82 E N -0.509 119.689 120.200 -0.004 0.000 2.046 82 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 82 E C 2.350 178.992 176.600 0.070 0.000 0.982 82 E CA 1.213 57.638 56.400 0.042 0.000 0.800 82 E CB -0.579 29.161 29.700 0.066 0.000 0.756 82 E HN 0.391 nan 8.360 nan 0.000 0.449 83 A N 1.301 124.143 122.820 0.036 0.000 1.927 83 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 83 A C 2.399 179.924 177.584 -0.097 0.000 1.185 83 A CA 2.324 54.282 52.037 -0.131 0.000 0.639 83 A CB -1.066 17.644 19.000 -0.484 0.000 0.820 83 A HN 0.295 nan 8.150 nan 0.000 0.451 84 A N -1.466 121.298 122.820 -0.093 0.000 1.933 84 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 84 A C 2.141 179.753 177.584 0.047 0.000 1.175 84 A CA 2.126 54.146 52.037 -0.029 0.000 0.628 84 A CB -0.481 18.504 19.000 -0.026 0.000 0.814 84 A HN 0.536 nan 8.150 nan 0.000 0.444 85 Q N -0.124 119.694 119.800 0.030 0.000 2.084 85 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 85 Q C 1.982 177.991 176.000 0.015 0.000 0.978 85 Q CA 2.148 57.969 55.803 0.030 0.000 0.844 85 Q CB -0.319 28.434 28.738 0.024 0.000 0.898 85 Q HN 0.780 nan 8.270 nan 0.000 0.426 86 E N -1.407 118.808 120.200 0.024 0.000 2.077 86 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 86 E C 1.806 178.349 176.600 -0.094 0.000 0.989 86 E CA 1.133 57.527 56.400 -0.011 0.000 0.800 86 E CB -0.312 29.430 29.700 0.070 0.000 0.746 86 E HN 0.533 nan 8.360 nan 0.000 0.452 87 Y N 0.664 120.861 120.300 -0.173 0.000 2.181 87 Y HA -0.211 4.339 4.550 -0.001 0.000 0.288 87 Y C 2.041 177.803 175.900 -0.231 0.000 1.146 87 Y CA 1.871 59.822 58.100 -0.248 0.000 1.164 87 Y CB -0.484 37.882 38.460 -0.157 0.000 0.982 87 Y HN 0.138 nan 8.280 nan 0.000 0.515 88 A N -0.145 122.696 122.820 0.036 0.000 1.930 88 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 88 A C 2.056 179.568 177.584 -0.121 0.000 1.175 88 A CA 1.587 53.623 52.037 -0.002 0.000 0.627 88 A CB -0.992 18.046 19.000 0.063 0.000 0.815 88 A HN 0.451 nan 8.150 nan 0.000 0.443 89 L N 0.028 121.172 121.223 -0.132 0.000 2.042 89 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 89 L C 2.563 179.302 176.870 -0.218 0.000 1.076 89 L CA 1.724 56.482 54.840 -0.137 0.000 0.749 89 L CB -1.121 40.870 42.059 -0.113 0.000 0.893 89 L HN 0.396 nan 8.230 nan 0.000 0.432 90 R N -1.214 119.041 120.500 -0.409 0.000 2.096 90 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 90 R C 2.043 178.124 176.300 -0.366 0.000 1.127 90 R CA 1.144 56.892 56.100 -0.587 0.000 0.968 90 R CB -0.447 29.043 30.300 -1.349 0.000 0.861 90 R HN 0.219 nan 8.270 nan 0.000 0.440 91 L N 1.041 122.057 121.223 -0.345 0.000 2.209 91 L HA -0.015 4.325 4.340 -0.001 0.000 0.207 91 L C 2.059 178.930 176.870 0.000 0.000 1.094 91 L CA 1.679 56.487 54.840 -0.053 0.000 0.790 91 L CB -0.226 41.780 42.059 -0.088 0.000 0.932 91 L HN -0.156 nan 8.230 nan 0.000 0.447 92 K N 0.277 120.650 120.400 -0.045 0.000 2.057 92 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 92 K C 2.204 178.801 176.600 -0.006 0.000 1.050 92 K CA 1.686 57.962 56.287 -0.018 0.000 0.935 92 K CB -0.269 32.214 32.500 -0.028 0.000 0.715 92 K HN 0.304 nan 8.250 nan 0.000 0.439 93 K N -0.074 120.318 120.400 -0.014 0.000 2.025 93 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 93 K C 2.027 178.650 176.600 0.039 0.000 1.049 93 K CA 1.369 57.659 56.287 0.006 0.000 0.933 93 K CB -0.272 32.224 32.500 -0.006 0.000 0.714 93 K HN 0.165 nan 8.250 nan 0.000 0.438 94 L N 1.174 122.449 121.223 0.086 0.000 2.079 94 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 94 L C 2.387 179.286 176.870 0.048 0.000 1.081 94 L CA 1.951 56.849 54.840 0.095 0.000 0.752 94 L CB -0.830 41.333 42.059 0.172 0.000 0.896 94 L HN 0.199 nan 8.230 nan 0.000 0.433 95 S N -0.833 114.893 115.700 0.042 0.000 2.359 95 S HA -0.238 4.232 4.470 -0.001 0.000 0.224 95 S C 1.803 176.409 174.600 0.010 0.000 1.035 95 S CA 1.668 59.880 58.200 0.020 0.000 1.018 95 S CB -0.514 62.696 63.200 0.017 0.000 0.876 95 S HN 0.588 nan 8.310 nan 0.000 0.448 96 D N 0.843 121.249 120.400 0.011 0.000 2.190 96 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 96 D C 1.969 178.273 176.300 0.006 0.000 0.992 96 D CA 1.107 55.110 54.000 0.006 0.000 0.854 96 D CB -0.381 40.422 40.800 0.005 0.000 0.936 96 D HN 0.659 nan 8.370 nan 0.000 0.462 97 E N -0.259 119.947 120.200 0.010 0.000 2.107 97 E HA -0.026 4.324 4.350 -0.001 0.000 0.191 97 E C 1.475 178.076 176.600 0.001 0.000 0.982 97 E CA 0.394 56.798 56.400 0.007 0.000 0.809 97 E CB 0.205 29.913 29.700 0.013 0.000 0.756 97 E HN 0.234 nan 8.360 nan 0.000 0.459 98 L N 0.983 122.206 121.223 -0.000 0.000 2.818 98 L HA 0.152 4.492 4.340 -0.001 0.000 0.243 98 L C 1.770 178.635 176.870 -0.008 0.000 1.185 98 L CA -0.128 54.708 54.840 -0.007 0.000 0.988 98 L CB 0.114 42.166 42.059 -0.011 0.000 1.292 98 L HN 0.036 nan 8.230 nan 0.000 0.519 99 K N 0.164 120.560 120.400 -0.006 0.000 2.280 99 K HA -0.059 4.260 4.320 -0.001 0.000 0.202 99 K C 1.813 178.408 176.600 -0.010 0.000 1.047 99 K CA 1.338 57.620 56.287 -0.008 0.000 0.942 99 K CB -0.362 32.135 32.500 -0.005 0.000 0.739 99 K HN 0.196 nan 8.250 nan 0.000 0.457 100 G N 1.246 110.041 108.800 -0.009 0.000 2.509 100 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.218 100 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.218 100 G C 0.762 175.655 174.900 -0.011 0.000 1.124 100 G CA 0.781 45.876 45.100 -0.009 0.000 0.776 100 G HN 0.376 nan 8.290 nan 0.000 0.547 101 D N -0.917 119.475 120.400 -0.013 0.000 2.473 101 D HA 0.203 4.843 4.640 -0.001 0.000 0.230 101 D C 0.600 176.888 176.300 -0.021 0.000 1.097 101 D CA 0.096 54.087 54.000 -0.015 0.000 0.861 101 D CB 1.091 41.883 40.800 -0.014 0.000 1.114 101 D HN 0.197 nan 8.370 nan 0.000 0.500 102 L N 0.555 121.765 121.223 -0.023 0.000 2.408 102 L HA 0.368 4.708 4.340 -0.001 0.000 0.268 102 L C -0.572 176.280 176.870 -0.031 0.000 0.986 102 L CA -0.610 54.212 54.840 -0.030 0.000 0.820 102 L CB 2.722 44.764 42.059 -0.029 0.000 1.303 102 L HN -0.231 nan 8.230 nan 0.000 0.411 103 S N 3.612 119.287 115.700 -0.042 0.000 2.448 103 S HA 0.639 5.109 4.470 -0.001 0.000 0.320 103 S C -0.629 173.943 174.600 -0.046 0.000 1.071 103 S CA -0.420 57.756 58.200 -0.040 0.000 1.113 103 S CB 0.261 63.434 63.200 -0.044 0.000 0.972 103 S HN 0.420 nan 8.310 nan 0.000 0.465 104 I N 5.741 126.292 120.570 -0.031 0.000 2.377 104 I HA 0.510 4.680 4.170 -0.001 0.000 0.293 104 I C -0.406 175.698 176.117 -0.022 0.000 0.987 104 I CA -0.537 60.746 61.300 -0.027 0.000 1.185 104 I CB 1.541 39.539 38.000 -0.004 0.000 1.341 104 I HN 0.529 nan 8.210 nan 0.000 0.455 105 I N 6.336 126.886 120.570 -0.032 0.000 2.498 105 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 105 I C -0.371 175.748 176.117 0.004 0.000 1.032 105 I CA -0.648 60.636 61.300 -0.026 0.000 1.073 105 I CB 2.106 40.073 38.000 -0.056 0.000 1.251 105 I HN 0.549 nan 8.210 nan 0.000 0.426 106 M N 5.754 125.371 119.600 0.028 0.000 2.216 106 M HA 0.370 4.850 4.480 -0.001 0.000 0.356 106 M C -0.107 176.239 176.300 0.078 0.000 1.205 106 M CA -0.269 55.079 55.300 0.080 0.000 1.122 106 M CB 0.624 33.286 32.600 0.103 0.000 1.571 106 M HN 0.464 nan 8.290 nan 0.000 0.464 107 R N 3.635 124.202 120.500 0.110 0.000 2.446 107 R HA 0.192 4.531 4.340 -0.001 0.000 0.314 107 R C -0.463 175.951 176.300 0.189 0.000 1.003 107 R CA 0.161 56.383 56.100 0.204 0.000 1.018 107 R CB 0.110 30.453 30.300 0.072 0.000 0.945 107 R HN 0.726 nan 8.270 nan 0.000 0.419 108 A N 4.964 127.921 122.820 0.229 0.000 3.204 108 A HA 0.259 4.579 4.320 -0.001 0.000 0.327 108 A C -1.159 176.593 177.584 0.280 0.000 0.998 108 A CA -0.579 51.556 52.037 0.163 0.000 0.891 108 A CB 0.252 19.187 19.000 -0.109 0.000 1.061 108 A HN 0.558 nan 8.150 nan 0.000 0.478 109 Y N -0.120 120.249 120.300 0.116 0.000 2.335 109 Y HA 0.427 4.977 4.550 -0.001 0.000 0.323 109 Y C 0.968 176.955 175.900 0.145 0.000 1.224 109 Y CA -0.866 57.311 58.100 0.128 0.000 1.241 109 Y CB 1.066 39.584 38.460 0.097 0.000 1.235 109 Y HN 0.297 nan 8.280 nan 0.000 0.492 110 L N 0.822 122.182 121.223 0.228 0.000 2.731 110 L HA 0.317 4.656 4.340 -0.001 0.000 0.240 110 L C -0.067 176.776 176.870 -0.044 0.000 1.120 110 L CA 0.230 55.133 54.840 0.105 0.000 0.913 110 L CB -0.457 41.617 42.059 0.026 0.000 1.213 110 L HN 0.693 nan 8.230 nan 0.000 0.515 111 E N -0.362 119.850 120.200 0.021 0.000 2.388 111 E HA 0.221 4.570 4.350 -0.001 0.000 0.282 111 E C -1.255 175.375 176.600 0.050 0.000 1.026 111 E CA -0.522 55.826 56.400 -0.086 0.000 0.820 111 E CB 1.917 31.561 29.700 -0.094 0.000 1.226 111 E HN -0.093 nan 8.360 nan 0.000 0.432 112 K N 3.812 124.225 120.400 0.023 0.000 2.164 112 K HA 0.506 4.826 4.320 -0.001 0.000 0.258 112 K C -2.415 174.198 176.600 0.022 0.000 0.951 112 K CA -1.861 54.463 56.287 0.062 0.000 0.844 112 K CB 1.075 33.633 32.500 0.096 0.000 1.099 112 K HN 0.233 nan 8.250 nan 0.000 0.435 113 P HA -0.087 nan 4.420 nan 0.000 0.257 113 P C -0.343 176.960 177.300 0.006 0.000 1.162 113 P CA 0.490 63.589 63.100 -0.002 0.000 0.762 113 P CB 0.182 31.874 31.700 -0.014 0.000 0.753 118 G N 1.375 110.199 108.800 0.040 0.000 2.343 118 G HA2 0.219 4.178 3.960 -0.001 0.000 0.562 118 G HA3 0.219 4.178 3.960 -0.001 0.000 0.562 118 G C -1.110 173.858 174.900 0.113 0.000 1.269 118 G CA -0.048 45.094 45.100 0.070 0.000 1.011 118 G HN 2.430 nan 8.290 nan 0.000 0.498 119 W N 1.712 122.974 121.300 -0.063 0.000 2.295 119 W HA 0.551 5.211 4.660 -0.001 0.000 0.335 119 W C 1.231 177.716 176.519 -0.056 0.000 1.351 119 W CA 0.152 57.452 57.345 -0.076 0.000 1.273 119 W CB 0.520 29.928 29.460 -0.086 0.000 1.214 119 W HN 0.527 nan 8.180 nan 0.000 0.563 120 K N 5.246 125.413 120.400 -0.388 0.000 2.505 120 K HA 0.306 4.626 4.320 -0.001 0.000 0.192 120 K C 0.851 176.984 176.600 -0.778 0.000 1.025 120 K CA 0.620 56.634 56.287 -0.455 0.000 1.086 120 K CB -0.359 31.964 32.500 -0.296 0.000 0.840 120 K HN 0.793 nan 8.250 nan 0.000 0.514 121 G N 0.697 108.440 108.800 -1.761 0.000 2.710 121 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.668 121 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.668 121 G C -0.082 174.139 174.900 -1.133 0.000 1.320 121 G CA -0.610 43.416 45.100 -1.790 0.000 0.860 121 G HN 0.094 nan 8.290 nan 0.000 0.538 122 L N 0.276 121.191 121.223 -0.513 0.000 2.270 122 L HA 0.361 4.700 4.340 -0.001 0.000 0.210 122 L C 2.738 179.575 176.870 -0.055 0.000 1.104 122 L CA 1.663 56.505 54.840 0.003 0.000 0.804 122 L CB -0.375 41.772 42.059 0.146 0.000 0.937 122 L HN 0.644 nan 8.230 nan 0.000 0.450 123 I N -0.496 119.994 120.570 -0.134 0.000 2.133 123 I HA -0.258 3.911 4.170 -0.001 0.000 0.238 123 I C 2.019 178.093 176.117 -0.071 0.000 1.074 123 I CA 1.079 62.312 61.300 -0.113 0.000 1.342 123 I CB -0.448 37.475 38.000 -0.127 0.000 1.053 123 I HN 0.330 nan 8.210 nan 0.000 0.404 124 N N 0.306 118.956 118.700 -0.084 0.000 2.080 124 N HA -0.160 4.580 4.740 -0.001 0.000 0.189 124 N C 0.684 176.167 175.510 -0.045 0.000 1.036 124 N CA 1.392 54.445 53.050 0.005 0.000 0.846 124 N CB -0.232 38.245 38.487 -0.015 0.000 1.015 124 N HN 0.250 nan 8.380 nan 0.000 0.423 125 D N 0.071 120.406 120.400 -0.109 0.000 2.749 125 D HA 0.182 4.822 4.640 -0.001 0.000 0.338 125 D C -1.935 174.498 176.300 0.222 0.000 1.236 125 D CA -1.907 52.087 54.000 -0.010 0.000 0.845 125 D CB 0.807 41.569 40.800 -0.064 0.000 1.080 125 D HN 0.056 nan 8.370 nan 0.000 0.497 126 P HA -0.019 nan 4.420 nan 0.000 0.226 126 P C 0.324 177.719 177.300 0.159 0.000 1.153 126 P CA 0.585 63.797 63.100 0.187 0.000 0.777 126 P CB 0.605 32.359 31.700 0.089 0.000 0.794 127 D N -0.261 120.206 120.400 0.113 0.000 2.340 127 D HA 0.050 4.690 4.640 -0.001 0.000 0.220 127 D C 0.542 176.872 176.300 0.050 0.000 1.039 127 D CA 0.009 54.048 54.000 0.065 0.000 0.866 127 D CB 0.013 40.836 40.800 0.038 0.000 0.913 127 D HN -0.126 nan 8.370 nan 0.000 0.523 128 V N 2.400 122.381 119.914 0.112 0.000 5.820 128 V HA -0.288 3.831 4.120 -0.001 0.000 0.300 128 V C 0.584 176.668 176.094 -0.017 0.000 0.585 128 V CA 1.115 63.411 62.300 -0.007 0.000 0.629 128 V CB -2.042 29.633 31.823 -0.247 0.000 0.291 128 V HN 0.465 nan 8.190 nan 0.000 0.887 129 N N -0.722 117.992 118.700 0.024 0.000 2.217 129 N HA 0.108 4.848 4.740 -0.001 0.000 0.239 129 N C 0.240 175.737 175.510 -0.021 0.000 1.330 129 N CA 0.153 53.199 53.050 -0.007 0.000 0.838 129 N CB -0.115 38.369 38.487 -0.005 0.000 1.287 129 N HN 0.554 nan 8.380 nan 0.000 0.498 130 N N 0.068 118.752 118.700 -0.027 0.000 2.710 130 N HA -0.209 4.530 4.740 -0.001 0.000 0.249 130 N C -0.652 174.760 175.510 -0.163 0.000 1.059 130 N CA 1.444 54.430 53.050 -0.107 0.000 0.720 130 N CB -1.096 37.353 38.487 -0.063 0.000 0.983 130 N HN 0.737 nan 8.380 nan 0.000 0.544 131 T N -3.840 110.621 114.554 -0.155 0.000 2.876 131 T HA 0.730 5.080 4.350 -0.001 0.000 0.277 131 T C -0.105 174.423 174.700 -0.286 0.000 0.997 131 T CA -0.651 61.372 62.100 -0.128 0.000 0.966 131 T CB 1.048 69.915 68.868 -0.002 0.000 1.312 131 T HN 0.048 nan 8.240 nan 0.000 0.598 132 F N 0.746 120.702 119.950 0.009 0.000 2.540 132 F HA 0.657 5.183 4.527 -0.001 0.000 0.317 132 F C 0.288 176.084 175.800 -0.007 0.000 1.104 132 F CA -0.838 57.158 58.000 -0.006 0.000 0.913 132 F CB 2.063 41.051 39.000 -0.019 0.000 1.170 132 F HN 0.614 nan 8.300 nan 0.000 0.450 133 N N 3.166 121.975 118.700 0.182 0.000 3.029 133 N HA 0.156 4.895 4.740 -0.001 0.000 0.198 133 N C 0.023 175.564 175.510 0.051 0.000 1.444 133 N CA 0.039 53.143 53.050 0.091 0.000 0.784 133 N CB 0.123 38.646 38.487 0.060 0.000 1.539 133 N HN 0.389 nan 8.380 nan 0.000 0.582 134 I N 0.738 121.336 120.570 0.045 0.000 2.286 134 I HA -0.118 4.051 4.170 -0.001 0.000 0.248 134 I C 2.097 178.175 176.117 -0.065 0.000 1.115 134 I CA 0.896 62.188 61.300 -0.013 0.000 1.392 134 I CB -0.233 37.752 38.000 -0.024 0.000 1.065 134 I HN 0.432 nan 8.210 nan 0.000 0.418 135 N N 0.577 119.253 118.700 -0.041 0.000 2.084 135 N HA -0.229 4.511 4.740 -0.001 0.000 0.190 135 N C 1.949 177.429 175.510 -0.050 0.000 1.030 135 N CA 1.223 54.242 53.050 -0.051 0.000 0.849 135 N CB -0.259 38.220 38.487 -0.012 0.000 1.012 135 N HN 0.404 nan 8.380 nan 0.000 0.423 136 K N 0.537 120.924 120.400 -0.022 0.000 2.211 136 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 136 K C 1.923 178.506 176.600 -0.029 0.000 1.050 136 K CA 1.204 57.482 56.287 -0.015 0.000 0.945 136 K CB -0.185 32.320 32.500 0.007 0.000 0.732 136 K HN 0.135 nan 8.250 nan 0.000 0.451 137 G N 1.016 109.791 108.800 -0.041 0.000 2.394 137 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.215 137 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.215 137 G C 1.419 176.248 174.900 -0.118 0.000 1.165 137 G CA 0.368 45.434 45.100 -0.056 0.000 0.784 137 G HN 0.185 nan 8.290 nan 0.000 0.535 138 L N -0.153 120.965 121.223 -0.174 0.000 2.093 138 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 138 L C 3.103 179.862 176.870 -0.185 0.000 1.085 138 L CA 0.947 55.631 54.840 -0.261 0.000 0.755 138 L CB -0.363 41.431 42.059 -0.442 0.000 0.904 138 L HN 0.257 nan 8.230 nan 0.000 0.435 139 Q N -0.526 119.205 119.800 -0.115 0.000 2.020 139 Q HA -0.185 4.154 4.340 -0.001 0.000 0.202 139 Q C 2.443 178.401 176.000 -0.069 0.000 0.982 139 Q CA 2.006 57.768 55.803 -0.067 0.000 0.838 139 Q CB -0.098 28.620 28.738 -0.032 0.000 0.899 139 Q HN 0.427 nan 8.270 nan 0.000 0.423 140 S N 0.685 116.349 115.700 -0.060 0.000 2.382 140 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 140 S C 2.018 176.565 174.600 -0.087 0.000 1.027 140 S CA 0.978 59.154 58.200 -0.040 0.000 0.991 140 S CB -0.280 62.918 63.200 -0.004 0.000 0.823 140 S HN 0.487 nan 8.310 nan 0.000 0.469 141 A N 1.789 124.508 122.820 -0.169 0.000 1.902 141 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 141 A C 2.097 179.366 177.584 -0.526 0.000 1.181 141 A CA 1.644 53.467 52.037 -0.357 0.000 0.623 141 A CB -0.488 18.264 19.000 -0.414 0.000 0.818 141 A HN 0.456 nan 8.150 nan 0.000 0.443 142 R N -1.015 119.292 120.500 -0.323 0.000 2.090 142 R HA -0.134 4.205 4.340 -0.001 0.000 0.228 142 R C 2.315 178.571 176.300 -0.072 0.000 1.110 142 R CA 1.610 57.578 56.100 -0.219 0.000 0.973 142 R CB -0.252 29.996 30.300 -0.087 0.000 0.869 142 R HN 0.484 nan 8.270 nan 0.000 0.440 143 Q N 0.664 120.437 119.800 -0.045 0.000 2.119 143 Q HA -0.140 4.199 4.340 -0.001 0.000 0.201 143 Q C 1.916 177.948 176.000 0.053 0.000 0.972 143 Q CA 1.445 57.255 55.803 0.012 0.000 0.847 143 Q CB -0.283 28.458 28.738 0.005 0.000 0.903 143 Q HN 0.388 nan 8.270 nan 0.000 0.433 144 L N -0.602 120.653 121.223 0.053 0.000 1.989 144 L HA -0.123 4.216 4.340 -0.001 0.000 0.211 144 L C 1.774 178.815 176.870 0.284 0.000 1.071 144 L CA 1.816 56.742 54.840 0.144 0.000 0.749 144 L CB -0.744 41.407 42.059 0.154 0.000 0.890 144 L HN 0.212 nan 8.230 nan 0.000 0.431 145 F N -0.873 119.086 119.950 0.014 0.000 2.216 145 F HA -0.118 4.408 4.527 -0.001 0.000 0.300 145 F C 2.487 178.293 175.800 0.010 0.000 1.085 145 F CA 1.041 59.047 58.000 0.009 0.000 1.326 145 F CB -1.349 37.651 39.000 0.001 0.000 1.027 145 F HN -0.039 nan 8.300 nan 0.000 0.497 146 V N 0.089 120.125 119.914 0.202 0.000 2.323 146 V HA -0.236 3.883 4.120 -0.001 0.000 0.244 146 V C 2.190 178.336 176.094 0.086 0.000 1.041 146 V CA 1.588 63.957 62.300 0.115 0.000 1.025 146 V CB -0.603 31.268 31.823 0.079 0.000 0.656 146 V HN 0.227 nan 8.190 nan 0.000 0.451 147 N N 0.410 119.162 118.700 0.087 0.000 2.104 147 N HA -0.125 4.614 4.740 -0.001 0.000 0.190 147 N C 1.743 177.287 175.510 0.055 0.000 1.024 147 N CA 1.466 54.553 53.050 0.062 0.000 0.853 147 N CB -0.420 38.103 38.487 0.060 0.000 1.008 147 N HN 0.392 nan 8.380 nan 0.000 0.424 148 L N 0.199 121.465 121.223 0.071 0.000 2.044 148 L HA -0.075 4.265 4.340 -0.001 0.000 0.205 148 L C 2.326 179.211 176.870 0.025 0.000 1.075 148 L CA 1.523 56.391 54.840 0.047 0.000 0.747 148 L CB -0.927 41.160 42.059 0.047 0.000 0.903 148 L HN 0.304 nan 8.230 nan 0.000 0.435 149 T N -3.839 110.731 114.554 0.026 0.000 2.985 149 T HA -0.109 4.241 4.350 -0.001 0.000 0.266 149 T C 1.604 176.314 174.700 0.017 0.000 1.076 149 T CA 1.032 63.138 62.100 0.010 0.000 1.135 149 T CB -0.458 68.414 68.868 0.007 0.000 0.890 149 T HN 0.153 nan 8.240 nan 0.000 0.480 150 N N 2.326 121.042 118.700 0.027 0.000 2.272 150 N HA -0.075 4.664 4.740 -0.001 0.000 0.185 150 N C 1.603 177.122 175.510 0.014 0.000 1.014 150 N CA 1.380 54.444 53.050 0.022 0.000 0.870 150 N CB -0.657 37.847 38.487 0.027 0.000 0.975 150 N HN 0.820 nan 8.380 nan 0.000 0.433 151 I N -4.731 115.846 120.570 0.011 0.000 3.684 151 I HA 0.430 4.599 4.170 -0.001 0.000 0.304 151 I C 1.000 177.117 176.117 0.001 0.000 1.278 151 I CA 0.397 61.699 61.300 0.004 0.000 1.272 151 I CB -0.059 37.940 38.000 -0.000 0.000 1.029 151 I HN 0.075 nan 8.210 nan 0.000 0.458 152 G N 1.761 110.563 108.800 0.003 0.000 2.138 152 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.193 152 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.193 152 G C -0.496 174.403 174.900 -0.002 0.000 0.998 152 G CA 0.012 45.113 45.100 0.001 0.000 0.668 152 G HN 0.340 nan 8.290 nan 0.000 0.516 153 L N 1.845 123.066 121.223 -0.002 0.000 2.294 153 L HA 0.722 5.061 4.340 -0.001 0.000 0.283 153 L C -2.119 174.741 176.870 -0.016 0.000 1.015 153 L CA -2.604 52.234 54.840 -0.003 0.000 0.831 153 L CB 1.212 43.274 42.059 0.005 0.000 1.217 153 L HN -0.097 nan 8.230 nan 0.000 0.420 154 P HA 0.312 nan 4.420 nan 0.000 0.272 154 P C -0.836 176.427 177.300 -0.062 0.000 1.230 154 P CA -0.065 63.010 63.100 -0.042 0.000 0.788 154 P CB 0.619 32.302 31.700 -0.028 0.000 0.949 155 I N -2.704 117.793 120.570 -0.121 0.000 3.042 155 I HA 0.935 5.105 4.170 -0.001 0.000 0.310 155 I C -0.487 175.524 176.117 -0.177 0.000 1.117 155 I CA -1.157 60.038 61.300 -0.176 0.000 1.003 155 I CB 2.500 40.289 38.000 -0.351 0.000 1.228 155 I HN 0.375 nan 8.210 nan 0.000 0.443 156 G N 1.054 109.793 108.800 -0.102 0.000 2.612 156 G HA2 0.659 4.618 3.960 -0.001 0.000 0.298 156 G HA3 0.659 4.618 3.960 -0.001 0.000 0.298 156 G C -1.758 173.068 174.900 -0.122 0.000 1.336 156 G CA -0.589 44.541 45.100 0.051 0.000 0.953 156 G HN 0.741 nan 8.290 nan 0.000 0.482 157 S N -0.705 114.788 115.700 -0.345 0.000 2.565 157 S HA 0.451 4.921 4.470 -0.001 0.000 0.269 157 S C -1.043 173.124 174.600 -0.721 0.000 1.153 157 S CA -0.662 57.128 58.200 -0.683 0.000 0.835 157 S CB 1.909 64.950 63.200 -0.265 0.000 1.122 157 S HN 0.732 nan 8.310 nan 0.000 0.462 158 E N 1.929 121.616 120.200 -0.856 0.000 2.373 158 E HA 0.209 4.559 4.350 -0.001 0.000 0.267 158 E C -0.612 175.859 176.600 -0.216 0.000 1.032 158 E CA -0.221 55.932 56.400 -0.412 0.000 0.889 158 E CB 0.450 30.030 29.700 -0.200 0.000 0.984 158 E HN 0.425 nan 8.360 nan 0.000 0.425 159 M N 5.669 125.179 119.600 -0.150 0.000 2.111 159 M HA 0.100 4.579 4.480 -0.001 0.000 0.351 159 M C 0.005 176.314 176.300 0.014 0.000 1.214 159 M CA -0.323 54.940 55.300 -0.062 0.000 1.120 159 M CB 0.920 33.474 32.600 -0.076 0.000 1.443 159 M HN 0.608 nan 8.290 nan 0.000 0.429 160 L N 1.842 123.078 121.223 0.020 0.000 2.298 160 L HA 0.175 4.515 4.340 -0.001 0.000 0.209 160 L C 0.950 177.896 176.870 0.127 0.000 1.084 160 L CA 1.364 56.248 54.840 0.073 0.000 0.816 160 L CB -0.294 41.776 42.059 0.017 0.000 0.967 160 L HN 0.648 nan 8.230 nan 0.000 0.460 161 D N -4.165 116.231 120.400 -0.006 0.000 2.779 161 D HA 0.018 4.658 4.640 -0.001 0.000 0.331 161 D C 0.243 176.462 176.300 -0.135 0.000 1.331 161 D CA 0.370 54.309 54.000 -0.101 0.000 0.866 161 D CB 1.092 41.880 40.800 -0.019 0.000 1.409 161 D HN -0.106 nan 8.370 nan 0.000 0.486 162 T N -2.054 112.425 114.554 -0.124 0.000 3.148 162 T HA 0.200 4.550 4.350 -0.001 0.000 0.253 162 T C 1.716 176.462 174.700 0.077 0.000 1.134 162 T CA 0.343 62.412 62.100 -0.050 0.000 1.051 162 T CB -0.261 68.630 68.868 0.037 0.000 0.959 162 T HN 0.405 nan 8.240 nan 0.000 0.525 163 I N 1.478 122.093 120.570 0.076 0.000 2.900 163 I HA -0.005 4.165 4.170 -0.001 0.000 0.251 163 I C 2.842 179.095 176.117 0.227 0.000 1.102 163 I CA 0.759 62.145 61.300 0.142 0.000 1.457 163 I CB -0.204 37.878 38.000 0.137 0.000 1.285 163 I HN 0.297 nan 8.210 nan 0.000 0.459 164 S N 1.807 117.608 115.700 0.170 0.000 2.383 164 S HA -0.088 4.382 4.470 -0.001 0.000 0.229 164 S C -0.587 174.146 174.600 0.222 0.000 1.030 164 S CA 1.081 59.387 58.200 0.177 0.000 1.002 164 S CB -2.093 61.117 63.200 0.018 0.000 0.829 164 S HN 0.227 nan 8.310 nan 0.000 0.467 165 P HA -0.021 nan 4.420 nan 0.000 0.220 165 P C 1.551 178.950 177.300 0.164 0.000 1.148 165 P CA 0.895 64.091 63.100 0.160 0.000 0.803 165 P CB -0.151 31.624 31.700 0.125 0.000 0.782 166 Q N -1.642 118.236 119.800 0.129 0.000 2.291 166 Q HA -0.139 4.201 4.340 -0.001 0.000 0.206 166 Q C 1.372 177.331 176.000 -0.068 0.000 0.976 166 Q CA 1.414 57.221 55.803 0.007 0.000 0.875 166 Q CB -0.612 28.065 28.738 -0.102 0.000 0.927 166 Q HN 0.450 nan 8.270 nan 0.000 0.450 167 Y N -1.285 119.024 120.300 0.013 0.000 2.523 167 Y HA 0.057 4.606 4.550 -0.001 0.000 0.279 167 Y C 1.678 177.576 175.900 -0.003 0.000 1.139 167 Y CA 0.519 58.612 58.100 -0.011 0.000 1.296 167 Y CB 0.588 39.023 38.460 -0.041 0.000 1.045 167 Y HN -0.005 nan 8.280 nan 0.000 0.538 168 L N -2.886 118.446 121.223 0.181 0.000 3.406 168 L HA 0.306 4.646 4.340 -0.001 0.000 0.309 168 L C 2.072 179.072 176.870 0.218 0.000 1.159 168 L CA 0.458 55.410 54.840 0.187 0.000 1.122 168 L CB -0.123 42.045 42.059 0.181 0.000 1.633 168 L HN -0.037 nan 8.230 nan 0.000 0.607 169 A N 1.261 124.201 122.820 0.201 0.000 1.972 169 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 169 A C 1.873 179.584 177.584 0.211 0.000 1.169 169 A CA 1.920 54.118 52.037 0.268 0.000 0.635 169 A CB -0.473 18.711 19.000 0.307 0.000 0.810 169 A HN 0.592 nan 8.150 nan 0.000 0.446 170 D N 0.266 120.754 120.400 0.147 0.000 2.271 170 D HA -0.170 4.469 4.640 -0.001 0.000 0.207 170 D C 1.415 177.767 176.300 0.086 0.000 0.983 170 D CA 1.179 55.245 54.000 0.110 0.000 0.878 170 D CB -0.425 40.423 40.800 0.079 0.000 0.920 170 D HN 0.517 nan 8.370 nan 0.000 0.479 171 L N -0.099 121.175 121.223 0.085 0.000 2.638 171 L HA 0.190 4.529 4.340 -0.001 0.000 0.232 171 L C 0.371 177.189 176.870 -0.087 0.000 1.099 171 L CA -0.190 54.680 54.840 0.051 0.000 0.883 171 L CB 1.021 43.179 42.059 0.165 0.000 1.136 171 L HN -0.187 nan 8.230 nan 0.000 0.492 172 V N -0.320 119.485 119.914 -0.181 0.000 2.439 172 V HA 0.175 4.294 4.120 -0.001 0.000 0.282 172 V C 0.851 176.647 176.094 -0.496 0.000 1.039 172 V CA 0.133 62.152 62.300 -0.469 0.000 0.913 172 V CB 1.665 33.019 31.823 -0.783 0.000 0.983 172 V HN 0.133 nan 8.190 nan 0.000 0.460 173 S N 3.612 119.109 115.700 -0.339 0.000 2.512 173 S HA 0.312 4.782 4.470 -0.001 0.000 0.216 173 S C -0.199 174.406 174.600 0.009 0.000 1.006 173 S CA 0.035 58.163 58.200 -0.120 0.000 0.915 173 S CB 0.225 63.414 63.200 -0.018 0.000 0.824 173 S HN 0.638 nan 8.310 nan 0.000 0.497 174 F N 1.168 120.950 119.950 -0.280 0.000 2.588 174 F HA 0.672 5.199 4.527 -0.001 0.000 0.314 174 F C -0.492 175.207 175.800 -0.170 0.000 1.134 174 F CA -0.681 57.269 58.000 -0.083 0.000 0.961 174 F CB 0.968 39.975 39.000 0.012 0.000 1.239 174 F HN -0.030 nan 8.300 nan 0.000 0.448 175 G N 3.283 111.633 108.800 -0.750 0.000 2.416 175 G HA2 0.725 4.685 3.960 -0.001 0.000 0.329 175 G HA3 0.725 4.685 3.960 -0.001 0.000 0.329 175 G C -1.743 172.474 174.900 -1.138 0.000 1.173 175 G CA -0.616 44.065 45.100 -0.698 0.000 0.929 175 G HN 1.002 nan 8.290 nan 0.000 0.475 176 A N 1.959 124.310 122.820 -0.782 0.000 2.350 176 A HA 0.770 5.090 4.320 -0.001 0.000 0.324 176 A C -0.584 176.780 177.584 -0.368 0.000 1.118 176 A CA -0.634 51.097 52.037 -0.510 0.000 0.783 176 A CB 1.093 20.060 19.000 -0.055 0.000 1.236 176 A HN 0.548 nan 8.150 nan 0.000 0.457 177 I N 2.701 123.029 120.570 -0.404 0.000 2.355 177 I HA 0.344 4.514 4.170 -0.001 0.000 0.288 177 I C 0.999 177.032 176.117 -0.139 0.000 0.999 177 I CA -0.030 61.089 61.300 -0.302 0.000 1.163 177 I CB 0.701 38.407 38.000 -0.490 0.000 1.316 177 I HN 0.787 nan 8.210 nan 0.000 0.454 178 G N 3.812 112.556 108.800 -0.093 0.000 2.616 178 G HA2 0.381 4.341 3.960 -0.001 0.000 0.268 178 G HA3 0.381 4.341 3.960 -0.001 0.000 0.268 178 G C 0.944 175.816 174.900 -0.046 0.000 1.213 178 G CA 0.174 45.240 45.100 -0.056 0.000 0.926 178 G HN 0.707 nan 8.290 nan 0.000 0.523 179 A N -0.277 122.520 122.820 -0.039 0.000 1.972 179 A HA -0.046 4.274 4.320 -0.001 0.000 0.219 179 A C 2.352 179.919 177.584 -0.029 0.000 1.169 179 A CA 1.308 53.336 52.037 -0.015 0.000 0.635 179 A CB -0.249 18.742 19.000 -0.015 0.000 0.810 179 A HN 0.622 nan 8.150 nan 0.000 0.446 180 R N -0.681 119.785 120.500 -0.056 0.000 2.280 180 R HA -0.036 4.304 4.340 -0.001 0.000 0.207 180 R C 1.248 177.482 176.300 -0.110 0.000 1.043 180 R CA 1.458 57.518 56.100 -0.067 0.000 1.006 180 R CB -0.117 30.145 30.300 -0.064 0.000 0.885 180 R HN 0.708 nan 8.270 nan 0.000 0.467 181 T N -5.052 109.408 114.554 -0.157 0.000 3.043 181 T HA 0.108 4.458 4.350 -0.001 0.000 0.272 181 T C 1.467 176.107 174.700 -0.100 0.000 0.990 181 T CA -0.177 61.763 62.100 -0.267 0.000 0.897 181 T CB 0.613 69.046 68.868 -0.726 0.000 1.111 181 T HN -0.152 nan 8.240 nan 0.000 0.529 182 T N 2.677 117.240 114.554 0.014 0.000 2.778 182 T HA -0.098 4.252 4.350 -0.001 0.000 0.269 182 T C 1.632 176.359 174.700 0.045 0.000 1.050 182 T CA 1.547 63.734 62.100 0.145 0.000 1.137 182 T CB -0.235 68.717 68.868 0.140 0.000 0.860 182 T HN 0.551 nan 8.240 nan 0.000 0.468 183 E N 0.645 120.846 120.200 0.001 0.000 2.371 183 E HA 0.074 4.424 4.350 -0.001 0.000 0.194 183 E C 0.844 177.443 176.600 -0.002 0.000 1.012 183 E CA -0.184 56.208 56.400 -0.014 0.000 0.860 183 E CB 0.185 29.876 29.700 -0.016 0.000 0.811 183 E HN 0.196 nan 8.360 nan 0.000 0.502 184 S N 0.965 116.677 115.700 0.019 0.000 2.488 184 S HA -0.037 4.433 4.470 -0.001 0.000 0.278 184 S C 0.941 175.591 174.600 0.082 0.000 1.259 184 S CA -0.377 57.865 58.200 0.070 0.000 1.061 184 S CB 1.123 64.408 63.200 0.141 0.000 0.910 184 S HN 0.061 nan 8.310 nan 0.000 0.491 185 Q N 4.307 124.125 119.800 0.030 0.000 2.077 185 Q HA -0.134 4.206 4.340 -0.001 0.000 0.206 185 Q C 1.730 177.700 176.000 -0.049 0.000 0.989 185 Q CA 2.143 57.932 55.803 -0.023 0.000 0.853 185 Q CB -0.595 28.127 28.738 -0.027 0.000 0.907 185 Q HN 0.825 nan 8.270 nan 0.000 0.418 186 L N -0.441 120.769 121.223 -0.021 0.000 2.079 186 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 186 L C 1.668 178.385 176.870 -0.255 0.000 1.081 186 L CA 2.081 56.844 54.840 -0.129 0.000 0.752 186 L CB -0.519 41.469 42.059 -0.118 0.000 0.896 186 L HN 0.358 nan 8.230 nan 0.000 0.433 187 H N -1.310 117.697 119.070 -0.105 0.000 2.436 187 H HA 0.081 4.637 4.556 -0.001 0.000 0.294 187 H C 2.307 177.619 175.328 -0.027 0.000 1.048 187 H CA 1.174 57.169 56.048 -0.090 0.000 1.353 187 H CB 0.059 29.806 29.762 -0.025 0.000 1.414 187 H HN 0.252 nan 8.280 nan 0.000 0.536 188 R N 0.602 121.165 120.500 0.105 0.000 2.066 188 R HA -0.105 4.235 4.340 -0.001 0.000 0.232 188 R C 1.976 178.229 176.300 -0.078 0.000 1.131 188 R CA 1.478 57.626 56.100 0.080 0.000 0.955 188 R CB -0.051 30.215 30.300 -0.057 0.000 0.851 188 R HN 0.469 nan 8.270 nan 0.000 0.432 189 E N 0.643 120.688 120.200 -0.257 0.000 2.085 189 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 189 E C 1.941 178.377 176.600 -0.274 0.000 0.994 189 E CA 1.089 57.317 56.400 -0.286 0.000 0.801 189 E CB -0.144 29.429 29.700 -0.211 0.000 0.743 189 E HN 0.098 nan 8.360 nan 0.000 0.453 190 L N 1.133 122.021 121.223 -0.558 0.000 1.989 190 L HA -0.179 4.161 4.340 -0.001 0.000 0.211 190 L C 2.244 178.930 176.870 -0.305 0.000 1.071 190 L CA 2.238 56.627 54.840 -0.752 0.000 0.749 190 L CB -0.769 40.904 42.059 -0.644 0.000 0.890 190 L HN 0.057 nan 8.230 nan 0.000 0.431 191 A N -0.835 121.894 122.820 -0.152 0.000 1.940 191 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 191 A C 2.476 180.055 177.584 -0.008 0.000 1.176 191 A CA 2.144 54.136 52.037 -0.075 0.000 0.631 191 A CB -1.235 17.822 19.000 0.095 0.000 0.814 191 A HN 0.714 nan 8.150 nan 0.000 0.446 192 S N -0.881 114.863 115.700 0.074 0.000 2.469 192 S HA 0.089 4.558 4.470 -0.001 0.000 0.238 192 S C 1.538 176.193 174.600 0.092 0.000 0.998 192 S CA 1.249 59.532 58.200 0.139 0.000 0.957 192 S CB -0.519 62.878 63.200 0.327 0.000 0.764 192 S HN 0.740 nan 8.310 nan 0.000 0.514 193 G N 0.450 109.298 108.800 0.080 0.000 3.393 193 G HA2 0.465 4.425 3.960 -0.001 0.000 0.255 193 G HA3 0.465 4.425 3.960 -0.001 0.000 0.255 193 G C 0.077 174.949 174.900 -0.047 0.000 1.097 193 G CA -0.489 44.663 45.100 0.087 0.000 0.780 193 G HN 0.427 nan 8.290 nan 0.000 0.540 194 L N 0.591 121.696 121.223 -0.197 0.000 2.357 194 L HA 0.276 4.616 4.340 -0.001 0.000 0.273 194 L C 1.062 177.617 176.870 -0.524 0.000 1.080 194 L CA -0.565 53.981 54.840 -0.489 0.000 0.803 194 L CB 1.911 43.510 42.059 -0.766 0.000 1.174 194 L HN -0.042 nan 8.230 nan 0.000 0.443 195 S N 1.822 117.163 115.700 -0.599 0.000 2.701 195 S HA 0.190 4.659 4.470 -0.001 0.000 0.220 195 S C -0.385 174.206 174.600 -0.015 0.000 0.954 195 S CA 0.076 58.170 58.200 -0.178 0.000 0.936 195 S CB -0.599 62.631 63.200 0.051 0.000 0.777 195 S HN 0.439 nan 8.310 nan 0.000 0.518 196 F N -1.733 118.261 119.950 0.074 0.000 2.662 196 F HA 0.656 5.182 4.527 -0.001 0.000 0.312 196 F C -3.420 172.448 175.800 0.113 0.000 1.113 196 F CA -3.386 54.666 58.000 0.087 0.000 0.951 196 F CB -0.098 38.929 39.000 0.046 0.000 1.344 196 F HN -0.349 nan 8.300 nan 0.000 0.462 197 P HA 0.265 nan 4.420 nan 0.000 0.267 197 P C -1.084 176.371 177.300 0.259 0.000 1.200 197 P CA -0.148 63.182 63.100 0.382 0.000 0.772 197 P CB 1.004 32.983 31.700 0.464 0.000 0.855 198 V N 2.812 122.773 119.914 0.079 0.000 2.569 198 V HA 0.575 4.694 4.120 -0.001 0.000 0.301 198 V C 0.450 176.207 176.094 -0.562 0.000 1.044 198 V CA -0.557 61.552 62.300 -0.318 0.000 0.874 198 V CB 1.998 33.604 31.823 -0.362 0.000 1.002 198 V HN 0.695 nan 8.190 nan 0.000 0.424 199 G N 3.452 111.764 108.800 -0.813 0.000 2.335 199 G HA2 0.627 4.587 3.960 -0.001 0.000 0.316 199 G HA3 0.627 4.587 3.960 -0.001 0.000 0.316 199 G C -1.013 173.566 174.900 -0.535 0.000 1.129 199 G CA -0.276 44.279 45.100 -0.908 0.000 0.899 199 G HN 0.423 nan 8.290 nan 0.000 0.448 200 F N 1.864 121.665 119.950 -0.247 0.000 2.405 200 F HA 0.335 4.862 4.527 -0.001 0.000 0.355 200 F C 1.129 176.897 175.800 -0.054 0.000 1.121 200 F CA -0.509 57.422 58.000 -0.114 0.000 1.112 200 F CB 1.616 40.571 39.000 -0.076 0.000 1.126 200 F HN 0.180 nan 8.300 nan 0.000 0.481 201 K N 3.524 123.998 120.400 0.123 0.000 2.355 201 K HA 0.066 4.386 4.320 -0.001 0.000 0.270 201 K C 0.373 177.035 176.600 0.104 0.000 1.003 201 K CA -0.483 55.866 56.287 0.102 0.000 0.957 201 K CB 0.455 32.987 32.500 0.053 0.000 0.939 201 K HN 0.728 nan 8.250 nan 0.000 0.482 202 N N 0.367 119.121 118.700 0.090 0.000 2.415 202 N HA 0.008 4.748 4.740 -0.001 0.000 0.248 202 N C 0.240 175.780 175.510 0.050 0.000 1.271 202 N CA -0.501 52.591 53.050 0.070 0.000 0.913 202 N CB 0.525 39.055 38.487 0.072 0.000 1.129 202 N HN 0.523 nan 8.380 nan 0.000 0.444 203 G N -0.486 108.336 108.800 0.036 0.000 2.667 203 G HA2 0.078 4.038 3.960 -0.001 0.000 0.250 203 G HA3 0.078 4.038 3.960 -0.001 0.000 0.250 203 G C 1.216 176.131 174.900 0.024 0.000 1.212 203 G CA 0.043 45.157 45.100 0.023 0.000 0.874 203 G HN 0.751 nan 8.290 nan 0.000 0.561 204 T N -1.783 112.781 114.554 0.016 0.000 2.995 204 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 204 T C 1.560 176.274 174.700 0.023 0.000 1.091 204 T CA 1.453 63.564 62.100 0.019 0.000 1.128 204 T CB -0.106 68.769 68.868 0.012 0.000 0.891 204 T HN 0.580 nan 8.240 nan 0.000 0.492 205 D N 1.302 121.713 120.400 0.019 0.000 2.363 205 D HA 0.185 4.824 4.640 -0.001 0.000 0.220 205 D C 1.687 178.000 176.300 0.022 0.000 0.994 205 D CA 0.695 54.705 54.000 0.018 0.000 0.890 205 D CB -0.798 40.010 40.800 0.013 0.000 0.906 205 D HN 0.589 nan 8.370 nan 0.000 0.530 206 G N -0.332 108.485 108.800 0.028 0.000 2.176 206 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.232 206 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.232 206 G C 0.456 175.375 174.900 0.032 0.000 0.986 206 G CA 0.429 45.550 45.100 0.034 0.000 0.643 206 G HN 0.824 nan 8.290 nan 0.000 0.522 207 T N -1.937 112.633 114.554 0.026 0.000 2.927 207 T HA 0.716 5.065 4.350 -0.001 0.000 0.281 207 T C 0.996 175.713 174.700 0.028 0.000 0.998 207 T CA -0.050 62.065 62.100 0.024 0.000 1.019 207 T CB 2.079 70.957 68.868 0.016 0.000 1.061 207 T HN 0.757 nan 8.240 nan 0.000 0.518 208 L N 1.310 122.550 121.223 0.028 0.000 2.575 208 L HA 0.296 4.635 4.340 -0.001 0.000 0.228 208 L C 1.832 178.716 176.870 0.022 0.000 1.075 208 L CA 0.922 55.783 54.840 0.035 0.000 0.867 208 L CB -0.891 41.194 42.059 0.042 0.000 1.097 208 L HN 0.851 nan 8.230 nan 0.000 0.485 209 N N -0.259 118.449 118.700 0.012 0.000 2.289 209 N HA -0.172 4.567 4.740 -0.001 0.000 0.184 209 N C 1.707 177.206 175.510 -0.018 0.000 1.016 209 N CA 1.469 54.519 53.050 -0.000 0.000 0.872 209 N CB -0.998 37.488 38.487 -0.000 0.000 0.973 209 N HN 0.332 nan 8.380 nan 0.000 0.433 210 V N -2.218 117.686 119.914 -0.017 0.000 2.407 210 V HA -0.016 4.104 4.120 -0.001 0.000 0.248 210 V C 2.294 178.343 176.094 -0.075 0.000 1.055 210 V CA 1.585 63.862 62.300 -0.038 0.000 1.049 210 V CB -1.166 30.645 31.823 -0.021 0.000 0.662 210 V HN 0.384 nan 8.190 nan 0.000 0.455 211 A N 0.145 122.941 122.820 -0.040 0.000 1.929 211 A HA 0.010 4.330 4.320 -0.001 0.000 0.216 211 A C 2.361 179.887 177.584 -0.096 0.000 1.176 211 A CA 1.766 53.771 52.037 -0.052 0.000 0.628 211 A CB -0.724 18.311 19.000 0.058 0.000 0.816 211 A HN 0.421 nan 8.150 nan 0.000 0.444 212 V N 0.875 120.765 119.914 -0.040 0.000 2.343 212 V HA -0.241 3.878 4.120 -0.001 0.000 0.247 212 V C 2.092 178.141 176.094 -0.075 0.000 1.051 212 V CA 2.357 64.638 62.300 -0.032 0.000 1.036 212 V CB -0.803 31.021 31.823 0.002 0.000 0.654 212 V HN 0.506 nan 8.190 nan 0.000 0.451 213 D N 0.464 120.812 120.400 -0.087 0.000 2.144 213 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 213 D C 2.192 178.381 176.300 -0.186 0.000 0.984 213 D CA 1.538 55.480 54.000 -0.097 0.000 0.834 213 D CB -0.386 40.367 40.800 -0.078 0.000 0.955 213 D HN 0.451 nan 8.370 nan 0.000 0.465 214 A N 0.311 122.921 122.820 -0.351 0.000 1.877 214 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 214 A C 2.497 179.648 177.584 -0.722 0.000 1.186 214 A CA 1.338 52.936 52.037 -0.732 0.000 0.620 214 A CB -1.006 17.194 19.000 -1.334 0.000 0.822 214 A HN 0.360 nan 8.150 nan 0.000 0.443 215 C N -0.631 118.370 119.300 -0.497 0.000 2.425 215 C HA -0.100 4.359 4.460 -0.001 0.000 0.277 215 C C 2.943 177.904 174.990 -0.048 0.000 1.280 215 C CA 1.134 60.053 59.018 -0.165 0.000 1.744 215 C CB -1.100 26.639 27.740 -0.002 0.000 1.989 215 C HN 0.608 nan 8.230 nan 0.000 0.491 216 Q N 0.756 120.532 119.800 -0.039 0.000 2.079 216 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 216 Q C 2.545 178.638 176.000 0.156 0.000 0.974 216 Q CA 1.809 57.641 55.803 0.048 0.000 0.840 216 Q CB -0.756 28.015 28.738 0.056 0.000 0.898 216 Q HN 0.725 nan 8.270 nan 0.000 0.430 217 A N 1.427 124.312 122.820 0.108 0.000 1.902 217 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 217 A C 2.317 180.105 177.584 0.340 0.000 1.181 217 A CA 1.804 53.976 52.037 0.225 0.000 0.623 217 A CB -0.651 18.390 19.000 0.069 0.000 0.818 217 A HN 0.363 nan 8.150 nan 0.000 0.443 218 A N -0.504 122.418 122.820 0.171 0.000 2.121 218 A HA 0.289 4.609 4.320 -0.001 0.000 0.218 218 A C 2.215 179.907 177.584 0.180 0.000 1.154 218 A CA 1.516 53.686 52.037 0.221 0.000 0.679 218 A CB -0.665 18.485 19.000 0.251 0.000 0.795 218 A HN 0.997 nan 8.150 nan 0.000 0.458 219 A N -1.059 121.824 122.820 0.105 0.000 2.119 219 A HA 0.145 4.465 4.320 -0.001 0.000 0.217 219 A C 0.888 178.399 177.584 -0.121 0.000 1.153 219 A CA 0.550 52.562 52.037 -0.042 0.000 0.692 219 A CB -0.358 18.556 19.000 -0.144 0.000 0.799 219 A HN 0.654 nan 8.150 nan 0.000 0.458 220 H N -1.495 117.578 119.070 0.005 0.000 2.559 220 H HA 0.490 5.046 4.556 -0.001 0.000 0.343 220 H C 0.275 175.458 175.328 -0.242 0.000 1.209 220 H CA -0.024 55.947 56.048 -0.128 0.000 1.287 220 H CB 1.022 30.657 29.762 -0.212 0.000 1.650 220 H HN 0.143 nan 8.280 nan 0.000 0.567 221 S N 0.192 115.828 115.700 -0.108 0.000 2.549 221 S HA 0.186 4.656 4.470 -0.001 0.000 0.279 221 S C -0.900 173.503 174.600 -0.329 0.000 1.321 221 S CA -0.125 58.004 58.200 -0.119 0.000 1.054 221 S CB -0.205 62.976 63.200 -0.031 0.000 0.899 221 S HN 0.569 nan 8.310 nan 0.000 0.497 222 H N 1.227 120.390 119.070 0.155 0.000 2.949 222 H HA 0.491 5.047 4.556 -0.001 0.000 0.356 222 H C -1.339 174.119 175.328 0.216 0.000 1.212 222 H CA -0.807 55.372 56.048 0.218 0.000 1.136 222 H CB 1.099 30.984 29.762 0.205 0.000 1.869 222 H HN 0.640 nan 8.280 nan 0.000 0.556 223 H N 0.814 120.022 119.070 0.229 0.000 2.646 223 H HA 0.319 4.875 4.556 -0.001 0.000 0.328 223 H C -1.096 174.325 175.328 0.155 0.000 0.998 223 H CA -0.799 55.304 56.048 0.091 0.000 1.225 223 H CB 0.330 30.113 29.762 0.035 0.000 1.457 223 H HN 0.393 nan 8.280 nan 0.000 0.505 224 F N 0.052 120.062 119.950 0.100 0.000 2.639 224 F HA 0.634 5.161 4.527 -0.001 0.000 0.339 224 F C -0.623 175.193 175.800 0.026 0.000 1.071 224 F CA -1.487 56.540 58.000 0.045 0.000 0.994 224 F CB 1.248 40.246 39.000 -0.004 0.000 1.341 224 F HN 0.097 nan 8.300 nan 0.000 0.498 225 M N 2.616 122.336 119.600 0.200 0.000 2.206 225 M HA 0.388 4.867 4.480 -0.001 0.000 0.353 225 M C 0.051 176.456 176.300 0.175 0.000 1.242 225 M CA -0.117 55.234 55.300 0.086 0.000 1.179 225 M CB -0.047 32.609 32.600 0.092 0.000 1.374 225 M HN 1.010 nan 8.290 nan 0.000 0.427 226 G N 2.347 111.157 108.800 0.017 0.000 2.971 226 G HA2 0.803 4.763 3.960 -0.001 0.000 0.235 226 G HA3 0.803 4.763 3.960 -0.001 0.000 0.235 226 G C -0.682 174.234 174.900 0.025 0.000 1.351 226 G CA -0.517 44.647 45.100 0.106 0.000 1.039 226 G HN 0.555 nan 8.290 nan 0.000 0.563 227 V N -2.255 117.676 119.914 0.027 0.000 2.914 227 V HA 0.818 4.937 4.120 -0.001 0.000 0.314 227 V C 0.380 176.455 176.094 -0.032 0.000 1.084 227 V CA -0.174 62.124 62.300 -0.002 0.000 0.963 227 V CB 1.056 32.885 31.823 0.011 0.000 1.025 227 V HN 1.144 nan 8.190 nan 0.000 0.432 228 T N 0.052 114.588 114.554 -0.030 0.000 2.754 228 T HA 0.352 4.702 4.350 -0.001 0.000 0.286 228 T C 0.891 175.551 174.700 -0.067 0.000 0.997 228 T CA -0.427 61.656 62.100 -0.028 0.000 0.982 228 T CB 0.713 69.592 68.868 0.017 0.000 1.027 228 T HN 0.705 nan 8.240 nan 0.000 0.529 229 K N 0.010 120.359 120.400 -0.086 0.000 2.280 229 K HA -0.094 4.226 4.320 -0.001 0.000 0.202 229 K C 1.588 178.011 176.600 -0.295 0.000 1.047 229 K CA 1.219 57.383 56.287 -0.204 0.000 0.942 229 K CB -0.370 32.008 32.500 -0.203 0.000 0.739 229 K HN 0.666 nan 8.250 nan 0.000 0.457 230 H N -0.430 118.598 119.070 -0.070 0.000 2.536 230 H HA 0.100 4.656 4.556 -0.000 0.000 0.276 230 H C 0.846 176.148 175.328 -0.043 0.000 1.019 230 H CA 0.678 56.695 56.048 -0.051 0.000 1.159 230 H CB 0.345 30.085 29.762 -0.036 0.000 1.373 230 H HN 0.382 nan 8.280 nan 0.000 0.584 231 G N 1.019 109.820 108.800 0.002 0.000 2.136 231 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.242 231 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.242 231 G C 0.080 174.997 174.900 0.027 0.000 0.989 231 G CA 0.315 45.421 45.100 0.009 0.000 0.682 231 G HN 0.275 nan 8.290 nan 0.000 0.522 232 V N 0.862 120.791 119.914 0.025 0.000 2.483 232 V HA 0.782 4.902 4.120 -0.001 0.000 0.295 232 V C 0.962 177.058 176.094 0.004 0.000 1.035 232 V CA -0.195 62.113 62.300 0.014 0.000 0.896 232 V CB 1.613 33.443 31.823 0.013 0.000 0.986 232 V HN 1.207 nan 8.190 nan 0.000 0.447 233 A N 4.468 127.289 122.820 0.001 0.000 2.498 233 A HA 0.729 5.049 4.320 -0.001 0.000 0.239 233 A C 0.278 177.852 177.584 -0.018 0.000 1.068 233 A CA 0.684 52.720 52.037 -0.002 0.000 0.766 233 A CB 0.187 19.189 19.000 0.003 0.000 1.003 233 A HN 1.729 nan 8.150 nan 0.000 0.497 234 A N 1.603 124.401 122.820 -0.035 0.000 2.610 234 A HA 0.620 4.939 4.320 -0.001 0.000 0.291 234 A C -0.788 176.739 177.584 -0.095 0.000 1.086 234 A CA -0.650 51.353 52.037 -0.057 0.000 0.677 234 A CB 0.524 19.485 19.000 -0.065 0.000 1.278 234 A HN 0.774 nan 8.150 nan 0.000 0.414 235 I N 1.888 122.405 120.570 -0.089 0.000 2.363 235 I HA 0.276 4.445 4.170 -0.001 0.000 0.292 235 I C -0.081 175.902 176.117 -0.223 0.000 1.075 235 I CA 0.318 61.550 61.300 -0.112 0.000 1.333 235 I CB 1.231 39.223 38.000 -0.013 0.000 1.415 235 I HN 0.526 nan 8.210 nan 0.000 0.502 236 T N 4.416 118.716 114.554 -0.423 0.000 2.743 236 T HA 0.272 4.621 4.350 -0.001 0.000 0.292 236 T C 0.158 174.521 174.700 -0.562 0.000 0.972 236 T CA -0.522 61.234 62.100 -0.574 0.000 0.967 236 T CB 0.788 69.055 68.868 -1.001 0.000 0.926 236 T HN 0.447 nan 8.240 nan 0.000 0.459 237 T N 3.814 118.099 114.554 -0.448 0.000 2.799 237 T HA 0.567 4.916 4.350 -0.001 0.000 0.286 237 T C 0.745 175.301 174.700 -0.240 0.000 0.973 237 T CA -0.687 61.112 62.100 -0.501 0.000 1.035 237 T CB 0.930 69.452 68.868 -0.577 0.000 0.932 237 T HN 0.756 nan 8.240 nan 0.000 0.469 238 T N -0.144 114.341 114.554 -0.115 0.000 2.950 238 T HA 0.487 4.837 4.350 -0.001 0.000 0.288 238 T C 0.943 175.638 174.700 -0.008 0.000 1.035 238 T CA -1.005 61.097 62.100 0.003 0.000 1.028 238 T CB 1.942 70.901 68.868 0.152 0.000 1.109 238 T HN 0.483 nan 8.240 nan 0.000 0.514 239 K N 0.076 120.476 120.400 -0.000 0.000 2.314 239 K HA 0.339 4.659 4.320 -0.001 0.000 0.198 239 K C 0.885 177.477 176.600 -0.013 0.000 1.045 239 K CA 0.680 56.957 56.287 -0.016 0.000 0.988 239 K CB -0.611 31.876 32.500 -0.023 0.000 0.783 239 K HN 1.177 nan 8.250 nan 0.000 0.484 240 G N 1.161 109.971 108.800 0.017 0.000 2.705 240 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.686 240 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.686 240 G C -1.313 173.577 174.900 -0.016 0.000 1.285 240 G CA -0.535 44.574 45.100 0.015 0.000 0.800 240 G HN 0.315 nan 8.290 nan 0.000 0.611 241 N N 0.895 119.594 118.700 -0.003 0.000 2.573 241 N HA 0.290 5.029 4.740 -0.001 0.000 0.262 241 N C 1.258 176.741 175.510 -0.045 0.000 1.029 241 N CA -0.144 52.891 53.050 -0.024 0.000 0.882 241 N CB 1.230 39.734 38.487 0.029 0.000 1.204 241 N HN 0.736 nan 8.380 nan 0.000 0.519 242 E N 2.220 122.309 120.200 -0.184 0.000 2.502 242 E HA -0.084 4.266 4.350 -0.001 0.000 0.194 242 E C -0.493 176.076 176.600 -0.053 0.000 1.062 242 E CA 0.716 57.011 56.400 -0.174 0.000 0.867 242 E CB -0.109 29.434 29.700 -0.261 0.000 0.888 242 E HN 0.449 nan 8.360 nan 0.000 0.510 243 H N 0.399 119.542 119.070 0.122 0.000 2.507 243 H HA 0.297 4.853 4.556 -0.001 0.000 0.281 243 H C -0.481 175.018 175.328 0.285 0.000 1.160 243 H CA -0.946 55.214 56.048 0.186 0.000 0.981 243 H CB -0.553 29.307 29.762 0.164 0.000 1.665 243 H HN 0.091 nan 8.280 nan 0.000 0.554 244 C N 1.728 121.246 119.300 0.363 0.000 2.366 244 C HA 0.649 5.108 4.460 -0.001 0.000 0.345 244 C C 0.223 175.482 174.990 0.447 0.000 1.209 244 C CA -0.602 58.627 59.018 0.351 0.000 2.050 244 C CB -0.466 27.492 27.740 0.364 0.000 2.359 244 C HN 0.544 nan 8.230 nan 0.000 0.527 245 F N -0.046 120.070 119.950 0.276 0.000 2.685 245 F HA 0.822 5.348 4.527 -0.001 0.000 0.315 245 F C -0.967 174.988 175.800 0.258 0.000 1.126 245 F CA -1.335 56.802 58.000 0.227 0.000 0.950 245 F CB 0.338 39.449 39.000 0.185 0.000 1.360 245 F HN 0.236 nan 8.300 nan 0.000 0.469 246 V N 2.604 122.746 119.914 0.380 0.000 2.539 246 V HA 0.460 4.580 4.120 -0.001 0.000 0.292 246 V C -0.027 176.245 176.094 0.297 0.000 1.045 246 V CA -0.618 61.834 62.300 0.254 0.000 0.945 246 V CB 1.508 33.452 31.823 0.201 0.000 0.993 246 V HN 0.622 nan 8.190 nan 0.000 0.464 247 I N 5.277 125.970 120.570 0.205 0.000 2.436 247 I HA 0.427 4.597 4.170 -0.001 0.000 0.289 247 I C -0.668 175.550 176.117 0.169 0.000 1.010 247 I CA -0.488 60.937 61.300 0.210 0.000 1.098 247 I CB 1.759 39.865 38.000 0.178 0.000 1.266 247 I HN 0.307 nan 8.210 nan 0.000 0.434 248 L N 6.853 128.181 121.223 0.174 0.000 2.264 248 L HA 0.456 4.795 4.340 -0.001 0.000 0.289 248 L C 0.384 177.357 176.870 0.172 0.000 1.044 248 L CA -0.475 54.459 54.840 0.157 0.000 0.807 248 L CB 0.916 43.071 42.059 0.159 0.000 1.192 248 L HN 0.710 nan 8.230 nan 0.000 0.425 249 R N 1.256 121.848 120.500 0.153 0.000 2.569 249 R HA 0.456 4.795 4.340 -0.001 0.000 0.422 249 R C 0.361 176.754 176.300 0.156 0.000 0.980 249 R CA -0.052 56.148 56.100 0.166 0.000 1.164 249 R CB 0.011 30.395 30.300 0.140 0.000 1.520 249 R HN 0.657 nan 8.270 nan 0.000 0.567 250 G N -0.348 108.535 108.800 0.138 0.000 2.601 250 G HA2 0.213 4.172 3.960 -0.001 0.000 0.252 250 G HA3 0.213 4.172 3.960 -0.001 0.000 0.252 250 G C 0.307 175.258 174.900 0.085 0.000 1.294 250 G CA -0.031 45.137 45.100 0.114 0.000 0.912 250 G HN 1.309 nan 8.290 nan 0.000 0.574 251 G N -2.447 106.397 108.800 0.074 0.000 2.302 251 G HA2 0.429 4.389 3.960 -0.001 0.000 0.276 251 G HA3 0.429 4.389 3.960 -0.001 0.000 0.276 251 G C 0.410 175.335 174.900 0.041 0.000 1.316 251 G CA 0.510 45.642 45.100 0.054 0.000 0.988 251 G HN 1.110 nan 8.290 nan 0.000 0.479 252 K N 0.304 120.723 120.400 0.031 0.000 2.217 252 K HA 0.114 4.434 4.320 -0.001 0.000 0.202 252 K C 2.664 179.275 176.600 0.018 0.000 1.051 252 K CA 1.661 57.963 56.287 0.024 0.000 0.952 252 K CB -0.194 32.318 32.500 0.019 0.000 0.736 252 K HN 0.594 nan 8.250 nan 0.000 0.453 253 K N 1.826 122.236 120.400 0.016 0.000 2.504 253 K HA 0.072 4.392 4.320 -0.001 0.000 0.195 253 K C 0.762 177.365 176.600 0.005 0.000 1.036 253 K CA 1.049 57.342 56.287 0.009 0.000 0.984 253 K CB -0.704 31.801 32.500 0.008 0.000 0.788 253 K HN 0.487 nan 8.250 nan 0.000 0.488 254 G N -1.121 107.686 108.800 0.012 0.000 2.462 254 G HA2 0.095 4.055 3.960 -0.001 0.000 0.685 254 G HA3 0.095 4.055 3.960 -0.001 0.000 0.685 254 G C 0.074 174.982 174.900 0.014 0.000 1.295 254 G CA -0.009 45.096 45.100 0.008 0.000 0.941 254 G HN 1.088 nan 8.290 nan 0.000 0.554 255 T N -1.565 112.993 114.554 0.006 0.000 2.855 255 T HA 0.445 4.795 4.350 -0.001 0.000 0.314 255 T C 0.771 175.419 174.700 -0.086 0.000 1.077 255 T CA 0.768 62.878 62.100 0.016 0.000 1.095 255 T CB 1.093 69.988 68.868 0.046 0.000 0.987 255 T HN 1.985 nan 8.240 nan 0.000 0.546 256 N N -0.165 118.512 118.700 -0.038 0.000 2.545 256 N HA 0.074 4.813 4.740 -0.001 0.000 0.283 256 N C -0.270 175.248 175.510 0.014 0.000 1.596 256 N CA -0.787 52.234 53.050 -0.047 0.000 0.862 256 N CB -0.643 37.859 38.487 0.025 0.000 1.422 256 N HN 0.863 nan 8.380 nan 0.000 0.489 257 Y N -1.522 118.805 120.300 0.044 0.000 2.467 257 Y HA 0.417 4.967 4.550 -0.001 0.000 0.250 257 Y C -0.155 175.760 175.900 0.025 0.000 1.155 257 Y CA -1.174 56.955 58.100 0.048 0.000 1.249 257 Y CB -0.123 38.364 38.460 0.045 0.000 1.146 257 Y HN -0.007 nan 8.280 nan 0.000 0.524 258 D N 0.831 121.083 120.400 -0.247 0.000 2.388 258 D HA 0.307 4.946 4.640 -0.001 0.000 0.254 258 D C 1.313 177.588 176.300 -0.042 0.000 1.111 258 D CA -0.079 53.837 54.000 -0.140 0.000 0.993 258 D CB 1.482 42.097 40.800 -0.309 0.000 1.118 258 D HN 0.130 nan 8.370 nan 0.000 0.502 259 A N 0.459 123.269 122.820 -0.015 0.000 1.972 259 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 259 A C 2.040 179.619 177.584 -0.008 0.000 1.169 259 A CA 1.838 53.877 52.037 0.004 0.000 0.635 259 A CB -0.706 18.299 19.000 0.007 0.000 0.810 259 A HN 0.693 nan 8.150 nan 0.000 0.446 260 K N -0.091 120.292 120.400 -0.028 0.000 2.001 260 K HA -0.099 4.221 4.320 -0.001 0.000 0.208 260 K C 2.186 178.773 176.600 -0.022 0.000 1.048 260 K CA 1.556 57.828 56.287 -0.025 0.000 0.932 260 K CB -0.203 32.275 32.500 -0.037 0.000 0.715 260 K HN 0.416 nan 8.250 nan 0.000 0.437 261 S N 0.611 116.286 115.700 -0.041 0.000 2.370 261 S HA -0.139 4.331 4.470 -0.001 0.000 0.226 261 S C 1.979 176.584 174.600 0.009 0.000 1.033 261 S CA 1.441 59.626 58.200 -0.025 0.000 1.011 261 S CB -0.271 62.895 63.200 -0.056 0.000 0.852 261 S HN 0.133 nan 8.310 nan 0.000 0.457 262 V N 1.918 121.843 119.914 0.018 0.000 2.358 262 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 262 V C 2.677 178.791 176.094 0.034 0.000 1.047 262 V CA 1.657 63.982 62.300 0.041 0.000 1.035 262 V CB -1.216 30.639 31.823 0.054 0.000 0.658 262 V HN 0.551 nan 8.190 nan 0.000 0.452 263 A N -0.562 122.271 122.820 0.022 0.000 1.902 263 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 263 A C 2.200 179.796 177.584 0.020 0.000 1.181 263 A CA 2.077 54.126 52.037 0.020 0.000 0.623 263 A CB -0.563 18.444 19.000 0.013 0.000 0.818 263 A HN 0.592 nan 8.150 nan 0.000 0.443 264 E N -0.484 119.725 120.200 0.015 0.000 2.118 264 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 264 E C 2.137 178.752 176.600 0.024 0.000 0.992 264 E CA 1.072 57.481 56.400 0.015 0.000 0.804 264 E CB -0.214 29.491 29.700 0.009 0.000 0.741 264 E HN 0.618 nan 8.360 nan 0.000 0.458 265 A N 0.837 123.676 122.820 0.033 0.000 1.872 265 A HA -0.159 4.161 4.320 -0.001 0.000 0.214 265 A C 1.936 179.548 177.584 0.047 0.000 1.187 265 A CA 1.385 53.449 52.037 0.045 0.000 0.614 265 A CB -0.263 18.773 19.000 0.060 0.000 0.826 265 A HN 0.060 nan 8.150 nan 0.000 0.442 266 K N -0.184 120.243 120.400 0.044 0.000 2.211 266 K HA -0.094 4.225 4.320 -0.001 0.000 0.204 266 K C 1.994 178.615 176.600 0.035 0.000 1.047 266 K CA 1.126 57.438 56.287 0.042 0.000 0.935 266 K CB -0.253 32.269 32.500 0.037 0.000 0.728 266 K HN 0.464 nan 8.250 nan 0.000 0.452 267 A N 0.661 123.499 122.820 0.029 0.000 2.072 267 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 267 A C 1.676 179.274 177.584 0.024 0.000 1.156 267 A CA 0.778 52.829 52.037 0.024 0.000 0.701 267 A CB -0.045 18.966 19.000 0.019 0.000 0.816 267 A HN 0.265 nan 8.150 nan 0.000 0.458 268 Q N -0.550 119.267 119.800 0.028 0.000 2.425 268 Q HA 0.234 4.573 4.340 -0.001 0.000 0.204 268 Q C -0.329 175.690 176.000 0.031 0.000 0.933 268 Q CA -0.025 55.794 55.803 0.027 0.000 0.939 268 Q CB 0.064 28.818 28.738 0.026 0.000 1.044 268 Q HN 0.535 nan 8.270 nan 0.000 0.513 269 L N 2.685 123.931 121.223 0.037 0.000 2.305 269 L HA 0.291 4.630 4.340 -0.001 0.000 0.281 269 L C -2.079 174.813 176.870 0.037 0.000 1.085 269 L CA -2.020 52.846 54.840 0.044 0.000 0.813 269 L CB 0.386 42.478 42.059 0.055 0.000 1.157 269 L HN -0.078 nan 8.230 nan 0.000 0.436 270 P HA 0.183 nan 4.420 nan 0.000 0.274 270 P C -0.524 176.796 177.300 0.033 0.000 1.237 270 P CA -0.516 62.602 63.100 0.031 0.000 0.793 270 P CB 0.633 32.350 31.700 0.029 0.000 0.977 271 A N 1.285 124.122 122.820 0.027 0.000 2.507 271 A HA 0.410 4.729 4.320 -0.001 0.000 0.235 271 A C 1.542 179.143 177.584 0.029 0.000 1.070 271 A CA 0.599 52.652 52.037 0.027 0.000 0.768 271 A CB -1.397 17.616 19.000 0.021 0.000 1.011 271 A HN 0.923 nan 8.150 nan 0.000 0.502 272 G N 0.798 109.617 108.800 0.030 0.000 2.196 272 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.268 272 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.268 272 G C 0.676 175.605 174.900 0.048 0.000 0.975 272 G CA 0.732 45.852 45.100 0.034 0.000 0.648 272 G HN 1.203 nan 8.290 nan 0.000 0.538 273 S N 0.837 116.569 115.700 0.054 0.000 2.559 273 S HA 0.249 4.719 4.470 -0.001 0.000 0.282 273 S C 0.921 175.572 174.600 0.086 0.000 1.336 273 S CA -0.168 58.078 58.200 0.075 0.000 1.037 273 S CB 0.321 63.566 63.200 0.075 0.000 0.853 273 S HN 0.512 nan 8.310 nan 0.000 0.523 274 N N 0.888 119.661 118.700 0.122 0.000 2.445 274 N HA 0.277 5.016 4.740 -0.001 0.000 0.264 274 N C 0.589 176.154 175.510 0.093 0.000 1.227 274 N CA -0.156 52.963 53.050 0.115 0.000 0.963 274 N CB 0.214 38.810 38.487 0.181 0.000 1.188 274 N HN 0.675 nan 8.380 nan 0.000 0.491 275 G N -0.115 108.699 108.800 0.023 0.000 2.614 275 G HA2 0.304 4.264 3.960 -0.001 0.000 0.239 275 G HA3 0.304 4.264 3.960 -0.001 0.000 0.239 275 G C 0.134 175.063 174.900 0.048 0.000 1.240 275 G CA -0.352 44.752 45.100 0.006 0.000 0.842 275 G HN 0.382 nan 8.290 nan 0.000 0.584 276 L N 0.366 121.636 121.223 0.079 0.000 2.399 276 L HA 0.518 4.857 4.340 -0.001 0.000 0.266 276 L C 0.544 177.496 176.870 0.136 0.000 1.114 276 L CA -0.426 54.505 54.840 0.152 0.000 0.804 276 L CB 1.522 43.659 42.059 0.129 0.000 1.146 276 L HN 0.529 nan 8.230 nan 0.000 0.451 277 M N 3.182 122.930 119.600 0.246 0.000 2.393 277 M HA 0.557 5.037 4.480 -0.001 0.000 0.316 277 M C -1.524 174.890 176.300 0.190 0.000 1.087 277 M CA -0.349 55.074 55.300 0.206 0.000 0.937 277 M CB 1.783 34.608 32.600 0.374 0.000 1.668 277 M HN 0.413 nan 8.290 nan 0.000 0.438 278 I N 3.425 124.082 120.570 0.144 0.000 2.389 278 I HA 0.258 4.427 4.170 -0.001 0.000 0.288 278 I C -0.815 175.386 176.117 0.139 0.000 0.999 278 I CA -0.752 60.659 61.300 0.186 0.000 1.129 278 I CB 1.573 39.724 38.000 0.252 0.000 1.288 278 I HN 0.632 nan 8.210 nan 0.000 0.444 279 D N 5.956 126.454 120.400 0.163 0.000 2.336 279 D HA 0.057 4.696 4.640 -0.001 0.000 0.249 279 D C 0.673 177.118 176.300 0.241 0.000 1.213 279 D CA 0.079 54.163 54.000 0.141 0.000 0.870 279 D CB 0.647 41.559 40.800 0.187 0.000 1.076 279 D HN 0.262 nan 8.370 nan 0.000 0.483 280 Y N 1.529 121.826 120.300 -0.006 0.000 2.497 280 Y HA -0.064 4.486 4.550 -0.001 0.000 0.292 280 Y C 1.519 177.378 175.900 -0.068 0.000 1.137 280 Y CA 0.033 58.087 58.100 -0.077 0.000 1.285 280 Y CB -0.810 37.589 38.460 -0.102 0.000 0.991 280 Y HN 0.195 nan 8.280 nan 0.000 0.556 281 S N -1.850 113.898 115.700 0.080 0.000 2.561 281 S HA 0.400 4.870 4.470 -0.001 0.000 0.282 281 S C -0.067 174.529 174.600 -0.007 0.000 1.123 281 S CA -0.182 57.969 58.200 -0.081 0.000 1.011 281 S CB 1.056 64.037 63.200 -0.364 0.000 1.244 281 S HN 0.457 nan 8.310 nan 0.000 0.503 282 H N 0.325 119.431 119.070 0.059 0.000 1.452 282 H HA -0.248 4.308 4.556 -0.001 0.000 0.090 282 H C 1.726 177.095 175.328 0.067 0.000 0.968 282 H CA 1.131 57.212 56.048 0.055 0.000 1.901 282 H CB -1.585 28.204 29.762 0.046 0.000 2.257 282 H HN 0.750 nan 8.280 nan 0.000 0.961 283 G N -0.390 108.539 108.800 0.216 0.000 2.448 283 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.219 283 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.219 283 G C 1.273 176.260 174.900 0.144 0.000 1.127 283 G CA 1.259 46.446 45.100 0.145 0.000 0.766 283 G HN 0.502 nan 8.290 nan 0.000 0.552 284 N N 0.360 119.164 118.700 0.174 0.000 2.494 284 N HA -0.038 4.702 4.740 -0.001 0.000 0.182 284 N C 2.176 177.764 175.510 0.130 0.000 1.076 284 N CA 1.084 54.266 53.050 0.220 0.000 0.908 284 N CB 0.202 38.846 38.487 0.261 0.000 0.967 284 N HN 0.449 nan 8.380 nan 0.000 0.449 285 S N -0.777 114.965 115.700 0.071 0.000 2.539 285 S HA 0.105 4.575 4.470 -0.001 0.000 0.221 285 S C 0.366 174.984 174.600 0.031 0.000 0.987 285 S CA -0.394 57.818 58.200 0.019 0.000 0.929 285 S CB 0.006 63.203 63.200 -0.006 0.000 0.832 285 S HN 0.146 nan 8.310 nan 0.000 0.492 286 N N 2.113 120.848 118.700 0.059 0.000 2.648 286 N HA -0.219 4.521 4.740 -0.001 0.000 0.265 286 N C 0.374 175.904 175.510 0.033 0.000 1.100 286 N CA 1.489 54.570 53.050 0.051 0.000 0.715 286 N CB -2.160 36.356 38.487 0.049 0.000 0.881 286 N HN 1.065 nan 8.380 nan 0.000 0.548 287 K N -1.114 119.311 120.400 0.041 0.000 3.274 287 K HA -0.246 4.073 4.320 -0.001 0.000 0.300 287 K C -0.052 176.568 176.600 0.033 0.000 1.230 287 K CA 1.903 58.215 56.287 0.040 0.000 0.884 287 K CB -2.050 30.471 32.500 0.035 0.000 1.242 287 K HN 0.935 nan 8.250 nan 0.000 0.467 288 D N -1.278 119.130 120.400 0.013 0.000 2.616 288 D HA 0.510 5.149 4.640 -0.001 0.000 0.238 288 D C 0.769 177.026 176.300 -0.072 0.000 1.354 288 D CA -0.397 53.580 54.000 -0.038 0.000 0.970 288 D CB 0.251 40.989 40.800 -0.102 0.000 1.369 288 D HN 0.442 nan 8.370 nan 0.000 0.585 289 F N 3.270 123.201 119.950 -0.031 0.000 2.236 289 F HA -0.061 4.466 4.527 -0.001 0.000 0.302 289 F C 1.540 177.318 175.800 -0.037 0.000 1.073 289 F CA 0.850 58.826 58.000 -0.040 0.000 1.336 289 F CB -0.411 38.566 39.000 -0.037 0.000 1.040 289 F HN 0.200 nan 8.300 nan 0.000 0.507 290 R N 0.590 120.587 120.500 -0.839 0.000 2.285 290 R HA -0.061 4.278 4.340 -0.001 0.000 0.213 290 R C 1.265 177.416 176.300 -0.248 0.000 1.068 290 R CA 0.894 56.663 56.100 -0.552 0.000 1.004 290 R CB -0.706 29.239 30.300 -0.592 0.000 0.873 290 R HN 0.318 nan 8.270 nan 0.000 0.467 291 N N 1.022 119.605 118.700 -0.194 0.000 2.512 291 N HA -0.098 4.642 4.740 -0.001 0.000 0.183 291 N C 1.271 176.692 175.510 -0.149 0.000 1.073 291 N CA 0.778 53.743 53.050 -0.141 0.000 0.911 291 N CB 0.116 38.542 38.487 -0.100 0.000 0.964 291 N HN 0.408 nan 8.380 nan 0.000 0.447 292 Q N 0.084 119.829 119.800 -0.091 0.000 2.124 292 Q HA -0.065 4.275 4.340 -0.001 0.000 0.202 292 Q C -0.784 175.117 176.000 -0.165 0.000 0.977 292 Q CA 1.190 56.951 55.803 -0.070 0.000 0.850 292 Q CB -0.702 28.089 28.738 0.088 0.000 0.901 292 Q HN 0.391 nan 8.270 nan 0.000 0.429 293 P HA -0.079 nan 4.420 nan 0.000 0.227 293 P C 0.461 177.633 177.300 -0.213 0.000 1.161 293 P CA 1.053 64.066 63.100 -0.146 0.000 0.788 293 P CB 0.052 31.705 31.700 -0.079 0.000 0.822 294 K N -0.189 120.083 120.400 -0.213 0.000 2.057 294 K HA -0.055 4.265 4.320 -0.001 0.000 0.207 294 K C 1.938 178.332 176.600 -0.343 0.000 1.049 294 K CA 1.279 57.439 56.287 -0.211 0.000 0.931 294 K CB -0.987 31.421 32.500 -0.153 0.000 0.714 294 K HN 0.020 nan 8.250 nan 0.000 0.440 295 V N 2.128 121.702 119.914 -0.566 0.000 2.407 295 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 295 V C 2.108 177.649 176.094 -0.921 0.000 1.055 295 V CA 1.926 63.648 62.300 -0.964 0.000 1.049 295 V CB -0.733 30.423 31.823 -1.111 0.000 0.662 295 V HN 0.379 nan 8.190 nan 0.000 0.455 296 N N 0.646 118.761 118.700 -0.975 0.000 2.104 296 N HA -0.199 4.541 4.740 -0.001 0.000 0.190 296 N C 1.502 176.828 175.510 -0.308 0.000 1.024 296 N CA 1.837 54.447 53.050 -0.734 0.000 0.853 296 N CB -0.262 38.026 38.487 -0.333 0.000 1.008 296 N HN 0.455 nan 8.380 nan 0.000 0.424 297 D N -0.511 119.744 120.400 -0.241 0.000 2.097 297 D HA -0.102 4.537 4.640 -0.001 0.000 0.195 297 D C 1.997 178.245 176.300 -0.087 0.000 0.989 297 D CA 0.940 54.865 54.000 -0.125 0.000 0.827 297 D CB -0.434 40.306 40.800 -0.101 0.000 0.966 297 D HN 0.120 nan 8.370 nan 0.000 0.456 298 V N 0.636 120.493 119.914 -0.095 0.000 2.490 298 V HA -0.158 3.962 4.120 -0.001 0.000 0.250 298 V C 2.500 178.610 176.094 0.025 0.000 1.061 298 V CA 0.932 63.236 62.300 0.007 0.000 1.064 298 V CB -0.169 31.738 31.823 0.140 0.000 0.670 298 V HN 0.052 nan 8.190 nan 0.000 0.461 299 V N -1.796 118.097 119.914 -0.035 0.000 2.599 299 V HA -0.150 3.970 4.120 -0.001 0.000 0.245 299 V C 2.418 178.531 176.094 0.033 0.000 1.046 299 V CA 1.520 63.841 62.300 0.035 0.000 1.065 299 V CB -0.118 31.745 31.823 0.066 0.000 0.703 299 V HN 0.602 nan 8.190 nan 0.000 0.464 300 C N -0.095 119.204 119.300 -0.001 0.000 2.429 300 C HA -0.148 4.312 4.460 -0.001 0.000 0.277 300 C C 2.808 177.803 174.990 0.008 0.000 1.262 300 C CA 1.282 60.306 59.018 0.009 0.000 1.733 300 C CB -0.735 26.998 27.740 -0.010 0.000 2.010 300 C HN 0.635 nan 8.230 nan 0.000 0.483 301 E N 0.824 121.026 120.200 0.002 0.000 2.085 301 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 301 E C 2.052 178.661 176.600 0.014 0.000 0.994 301 E CA 1.673 58.077 56.400 0.005 0.000 0.801 301 E CB -0.347 29.355 29.700 0.004 0.000 0.743 301 E HN 0.693 nan 8.360 nan 0.000 0.453 302 Q N -0.105 119.710 119.800 0.025 0.000 2.079 302 Q HA -0.084 4.256 4.340 -0.001 0.000 0.200 302 Q C 2.497 178.513 176.000 0.026 0.000 0.974 302 Q CA 1.382 57.203 55.803 0.030 0.000 0.840 302 Q CB -0.032 28.733 28.738 0.045 0.000 0.898 302 Q HN 0.360 nan 8.270 nan 0.000 0.430 303 I N 0.366 120.953 120.570 0.029 0.000 2.315 303 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 303 I C 2.307 178.433 176.117 0.015 0.000 1.117 303 I CA 0.797 62.111 61.300 0.024 0.000 1.404 303 I CB -0.265 37.751 38.000 0.028 0.000 1.071 303 I HN 0.160 nan 8.210 nan 0.000 0.419 304 A N 0.412 123.239 122.820 0.012 0.000 1.972 304 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 304 A C 1.871 179.459 177.584 0.006 0.000 1.169 304 A CA 1.521 53.562 52.037 0.007 0.000 0.635 304 A CB -0.547 18.455 19.000 0.003 0.000 0.810 304 A HN 0.438 nan 8.150 nan 0.000 0.446 305 N N -0.847 117.859 118.700 0.009 0.000 2.383 305 N HA 0.130 4.869 4.740 -0.001 0.000 0.192 305 N C 0.970 176.486 175.510 0.009 0.000 1.141 305 N CA 0.927 53.982 53.050 0.008 0.000 0.851 305 N CB 0.466 38.959 38.487 0.009 0.000 0.976 305 N HN 0.645 nan 8.380 nan 0.000 0.465 306 G N 1.362 110.168 108.800 0.009 0.000 2.163 306 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.213 306 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.213 306 G C -0.035 174.872 174.900 0.012 0.000 0.991 306 G CA -0.251 44.854 45.100 0.009 0.000 0.653 306 G HN 0.327 nan 8.290 nan 0.000 0.518 307 E N 1.297 121.506 120.200 0.016 0.000 2.081 307 E HA 0.360 4.710 4.350 -0.001 0.000 0.270 307 E C 1.304 177.916 176.600 0.019 0.000 1.180 307 E CA -0.169 56.243 56.400 0.021 0.000 0.926 307 E CB -0.025 29.692 29.700 0.028 0.000 1.035 307 E HN 0.255 nan 8.360 nan 0.000 0.418 308 N N 3.519 122.228 118.700 0.015 0.000 2.424 308 N HA -0.004 4.736 4.740 -0.001 0.000 0.178 308 N C 0.887 176.403 175.510 0.011 0.000 1.060 308 N CA 0.892 53.948 53.050 0.010 0.000 0.901 308 N CB 0.199 38.691 38.487 0.008 0.000 0.979 308 N HN 0.496 nan 8.380 nan 0.000 0.451 309 A N 0.349 123.181 122.820 0.020 0.000 2.206 309 A HA 0.131 4.451 4.320 -0.001 0.000 0.211 309 A C 0.865 178.466 177.584 0.029 0.000 1.158 309 A CA 0.123 52.176 52.037 0.026 0.000 0.761 309 A CB -0.317 18.705 19.000 0.036 0.000 0.801 309 A HN 0.153 nan 8.150 nan 0.000 0.473 310 I N 1.472 122.059 120.570 0.028 0.000 2.282 310 I HA 0.080 4.249 4.170 -0.001 0.000 0.290 310 I C 1.244 177.362 176.117 0.002 0.000 1.090 310 I CA 0.034 61.354 61.300 0.034 0.000 1.231 310 I CB 1.129 39.162 38.000 0.056 0.000 1.434 310 I HN 0.279 nan 8.210 nan 0.000 0.487 311 T N 0.544 115.079 114.554 -0.031 0.000 3.040 311 T HA 0.342 4.692 4.350 -0.001 0.000 0.250 311 T C 0.650 175.286 174.700 -0.108 0.000 1.058 311 T CA -0.216 61.838 62.100 -0.078 0.000 0.988 311 T CB 0.468 69.263 68.868 -0.121 0.000 0.993 311 T HN 0.576 nan 8.240 nan 0.000 0.519 312 G N 0.752 109.505 108.800 -0.078 0.000 2.704 312 G HA2 0.608 4.567 3.960 -0.001 0.000 0.293 312 G HA3 0.608 4.567 3.960 -0.001 0.000 0.293 312 G C -1.423 173.444 174.900 -0.055 0.000 1.421 312 G CA -0.335 44.709 45.100 -0.093 0.000 0.870 312 G HN 0.832 nan 8.290 nan 0.000 0.492 313 V N -1.563 118.275 119.914 -0.127 0.000 3.114 313 V HA 0.927 5.047 4.120 -0.001 0.000 0.308 313 V C -0.631 175.290 176.094 -0.288 0.000 1.168 313 V CA -1.188 60.971 62.300 -0.234 0.000 1.015 313 V CB 1.986 33.552 31.823 -0.428 0.000 1.050 313 V HN 1.137 nan 8.190 nan 0.000 0.433 314 M N 3.338 122.723 119.600 -0.358 0.000 2.326 314 M HA 0.785 5.264 4.480 -0.001 0.000 0.292 314 M C -2.279 173.819 176.300 -0.336 0.000 1.081 314 M CA -0.520 54.627 55.300 -0.255 0.000 0.919 314 M CB 1.969 34.515 32.600 -0.091 0.000 1.634 314 M HN 0.800 nan 8.290 nan 0.000 0.451 315 I N 3.332 123.759 120.570 -0.237 0.000 2.533 315 I HA 0.327 4.497 4.170 -0.001 0.000 0.290 315 I C -0.781 175.285 176.117 -0.084 0.000 1.056 315 I CA -0.569 60.634 61.300 -0.162 0.000 1.057 315 I CB 2.424 40.333 38.000 -0.152 0.000 1.240 315 I HN 0.690 nan 8.210 nan 0.000 0.423 316 E N 4.390 124.546 120.200 -0.074 0.000 2.014 316 E HA 0.336 4.685 4.350 -0.001 0.000 0.275 316 E C -0.792 175.784 176.600 -0.041 0.000 0.997 316 E CA -0.190 56.156 56.400 -0.090 0.000 0.804 316 E CB 1.501 31.109 29.700 -0.154 0.000 1.090 316 E HN 0.454 nan 8.360 nan 0.000 0.401 317 S N 3.633 119.318 115.700 -0.024 0.000 2.542 317 S HA 0.549 5.019 4.470 -0.001 0.000 0.293 317 S C -0.883 173.692 174.600 -0.042 0.000 1.089 317 S CA -0.697 57.546 58.200 0.071 0.000 0.961 317 S CB 1.340 64.691 63.200 0.253 0.000 1.062 317 S HN 0.457 nan 8.310 nan 0.000 0.483 318 N N 1.685 120.433 118.700 0.080 0.000 2.934 318 N HA 0.447 5.186 4.740 -0.001 0.000 0.253 318 N C 1.022 176.726 175.510 0.322 0.000 1.466 318 N CA -0.596 52.438 53.050 -0.027 0.000 0.858 318 N CB 1.058 39.462 38.487 -0.138 0.000 1.459 318 N HN 0.603 nan 8.380 nan 0.000 0.532 319 I N 0.582 121.307 120.570 0.258 0.000 2.118 319 I HA -0.247 3.922 4.170 -0.001 0.000 0.241 319 I C 0.301 176.531 176.117 0.187 0.000 1.070 319 I CA 1.298 62.736 61.300 0.230 0.000 1.327 319 I CB -0.117 37.907 38.000 0.041 0.000 1.034 319 I HN 0.349 nan 8.210 nan 0.000 0.405 320 N N 0.424 119.168 118.700 0.073 0.000 2.312 320 N HA 0.238 4.977 4.740 -0.001 0.000 0.296 320 N C -0.868 174.619 175.510 -0.038 0.000 1.193 320 N CA -0.563 52.512 53.050 0.042 0.000 0.773 320 N CB 1.477 39.977 38.487 0.021 0.000 1.435 320 N HN 0.184 nan 8.380 nan 0.000 0.484 321 E N -0.230 119.929 120.200 -0.070 0.000 2.314 321 E HA 0.582 4.932 4.350 -0.001 0.000 0.262 321 E C 0.501 176.864 176.600 -0.395 0.000 1.093 321 E CA -0.589 55.662 56.400 -0.248 0.000 0.908 321 E CB 0.778 30.412 29.700 -0.111 0.000 1.091 321 E HN 0.653 nan 8.360 nan 0.000 0.425 322 G N 1.399 109.674 108.800 -0.874 0.000 2.568 322 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.222 322 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.222 322 G C -0.847 173.825 174.900 -0.380 0.000 1.321 322 G CA -0.096 44.583 45.100 -0.701 0.000 0.893 322 G HN 1.196 nan 8.290 nan 0.000 0.569 323 N N -0.528 118.048 118.700 -0.206 0.000 3.039 323 N HA 0.651 5.390 4.740 -0.001 0.000 0.257 323 N C -0.742 174.714 175.510 -0.090 0.000 1.497 323 N CA 0.031 53.002 53.050 -0.132 0.000 0.861 323 N CB 1.140 39.570 38.487 -0.096 0.000 1.479 323 N HN 1.507 nan 8.380 nan 0.000 0.547 324 Q N -1.296 118.450 119.800 -0.090 0.000 2.482 324 Q HA 0.655 4.995 4.340 -0.001 0.000 0.286 324 Q C -0.693 175.257 176.000 -0.084 0.000 1.007 324 Q CA -1.319 54.438 55.803 -0.077 0.000 0.801 324 Q CB 1.598 30.284 28.738 -0.087 0.000 1.455 324 Q HN 0.720 nan 8.270 nan 0.000 0.398 325 G N 0.821 109.583 108.800 -0.063 0.000 2.562 325 G HA2 0.502 4.462 3.960 -0.001 0.000 0.275 325 G HA3 0.502 4.462 3.960 -0.001 0.000 0.275 325 G C -0.469 174.377 174.900 -0.090 0.000 1.196 325 G CA -0.958 44.104 45.100 -0.063 0.000 0.908 325 G HN 0.561 nan 8.290 nan 0.000 0.524 326 I N 2.242 122.758 120.570 -0.090 0.000 2.337 326 I HA 0.180 4.349 4.170 -0.001 0.000 0.291 326 I C -1.573 174.505 176.117 -0.064 0.000 1.046 326 I CA -1.437 59.800 61.300 -0.105 0.000 1.324 326 I CB 1.487 39.423 38.000 -0.106 0.000 1.409 326 I HN 0.284 nan 8.210 nan 0.000 0.494 327 P HA 0.204 nan 4.420 nan 0.000 0.274 327 P C 0.535 177.817 177.300 -0.030 0.000 1.256 327 P CA -0.436 62.641 63.100 -0.038 0.000 0.795 327 P CB 0.718 32.398 31.700 -0.035 0.000 1.038 328 A N 1.230 124.037 122.820 -0.021 0.000 1.859 328 A HA -0.321 3.999 4.320 -0.001 0.000 0.218 328 A C 1.829 179.403 177.584 -0.018 0.000 1.209 328 A CA 2.586 54.614 52.037 -0.016 0.000 0.639 328 A CB -1.809 17.184 19.000 -0.011 0.000 0.835 328 A HN 0.736 nan 8.150 nan 0.000 0.450 329 E N -0.746 119.443 120.200 -0.017 0.000 2.315 329 E HA -0.046 4.303 4.350 -0.001 0.000 0.215 329 E C 1.267 177.853 176.600 -0.023 0.000 1.069 329 E CA 0.652 57.041 56.400 -0.018 0.000 0.859 329 E CB -0.928 28.762 29.700 -0.017 0.000 0.743 329 E HN 1.297 nan 8.360 nan 0.000 0.469 330 G N 0.871 109.652 108.800 -0.032 0.000 2.693 330 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.226 330 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.226 330 G C 0.456 175.324 174.900 -0.053 0.000 1.354 330 G CA -0.038 45.036 45.100 -0.043 0.000 0.873 330 G HN 0.048 nan 8.290 nan 0.000 0.562 331 K N -0.292 120.071 120.400 -0.062 0.000 2.117 331 K HA -0.257 4.062 4.320 -0.001 0.000 0.215 331 K C 2.955 179.534 176.600 -0.035 0.000 1.053 331 K CA 3.181 59.430 56.287 -0.064 0.000 0.935 331 K CB -0.979 31.494 32.500 -0.046 0.000 0.719 331 K HN 1.254 nan 8.250 nan 0.000 0.460 332 A N -0.333 122.473 122.820 -0.023 0.000 2.066 332 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 332 A C 2.150 179.730 177.584 -0.007 0.000 1.157 332 A CA 1.590 53.621 52.037 -0.009 0.000 0.670 332 A CB -0.405 18.589 19.000 -0.009 0.000 0.804 332 A HN 0.448 nan 8.150 nan 0.000 0.453 333 G N -0.749 108.041 108.800 -0.017 0.000 2.920 333 G HA2 0.313 4.272 3.960 -0.001 0.000 0.208 333 G HA3 0.313 4.272 3.960 -0.001 0.000 0.208 333 G C 0.479 175.368 174.900 -0.018 0.000 1.159 333 G CA -0.223 44.867 45.100 -0.016 0.000 0.784 333 G HN 0.397 nan 8.290 nan 0.000 0.535 334 L N 0.986 122.196 121.223 -0.021 0.000 2.395 334 L HA 0.276 4.616 4.340 -0.001 0.000 0.269 334 L C 0.330 177.208 176.870 0.012 0.000 1.133 334 L CA -0.674 54.147 54.840 -0.031 0.000 0.812 334 L CB 1.073 43.096 42.059 -0.059 0.000 1.125 334 L HN 0.063 nan 8.230 nan 0.000 0.452 335 K N 2.006 122.410 120.400 0.007 0.000 2.355 335 K HA 0.080 4.400 4.320 -0.001 0.000 0.270 335 K C -0.641 176.009 176.600 0.083 0.000 1.003 335 K CA -0.400 55.912 56.287 0.043 0.000 0.957 335 K CB 0.425 32.936 32.500 0.019 0.000 0.939 335 K HN 0.329 nan 8.250 nan 0.000 0.482 336 Y N 0.513 120.809 120.300 -0.007 0.000 2.336 336 Y HA 0.196 4.746 4.550 -0.001 0.000 0.331 336 Y C 1.229 177.126 175.900 -0.005 0.000 1.211 336 Y CA 1.061 59.157 58.100 -0.007 0.000 1.346 336 Y CB 0.786 39.236 38.460 -0.017 0.000 1.271 336 Y HN 0.953 nan 8.280 nan 0.000 0.538 337 G N 3.321 111.608 108.800 -0.856 0.000 2.258 337 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.274 337 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.274 337 G C -0.826 173.936 174.900 -0.229 0.000 1.021 337 G CA 0.493 45.241 45.100 -0.586 0.000 0.798 337 G HN 0.701 nan 8.290 nan 0.000 0.507 338 V N -0.047 119.781 119.914 -0.142 0.000 2.604 338 V HA 0.702 4.822 4.120 -0.001 0.000 0.305 338 V C 0.774 176.836 176.094 -0.053 0.000 1.043 338 V CA -0.177 62.066 62.300 -0.095 0.000 0.888 338 V CB 1.861 33.636 31.823 -0.080 0.000 0.995 338 V HN 0.578 nan 8.190 nan 0.000 0.429 339 S N 3.755 119.403 115.700 -0.087 0.000 2.564 339 S HA 0.296 4.765 4.470 -0.001 0.000 0.278 339 S C 0.796 175.310 174.600 -0.143 0.000 1.333 339 S CA -0.327 57.831 58.200 -0.070 0.000 1.048 339 S CB 0.363 63.511 63.200 -0.086 0.000 0.900 339 S HN 0.716 nan 8.310 nan 0.000 0.505 340 I N 1.992 122.420 120.570 -0.236 0.000 3.904 340 I HA 0.264 4.434 4.170 -0.001 0.000 0.333 340 I C 0.696 176.772 176.117 -0.067 0.000 1.361 340 I CA -0.313 60.828 61.300 -0.264 0.000 1.116 340 I CB -0.435 37.214 38.000 -0.585 0.000 1.028 340 I HN 0.657 nan 8.210 nan 0.000 0.398 341 T N -2.603 111.956 114.554 0.008 0.000 1.654 341 T HA 0.316 4.665 4.350 -0.001 0.000 0.183 341 T C 0.066 174.784 174.700 0.030 0.000 0.710 341 T CA -0.378 61.767 62.100 0.076 0.000 1.182 341 T CB -0.184 68.783 68.868 0.165 0.000 3.311 341 T HN -0.005 nan 8.240 nan 0.000 0.424 342 D N 1.938 122.361 120.400 0.039 0.000 2.382 342 D HA 0.526 5.166 4.640 -0.001 0.000 0.240 342 D C 0.122 176.392 176.300 -0.050 0.000 1.146 342 D CA 0.016 54.020 54.000 0.006 0.000 0.897 342 D CB 0.805 41.603 40.800 -0.004 0.000 1.197 342 D HN 0.807 nan 8.370 nan 0.000 0.432 343 A N 1.315 124.101 122.820 -0.057 0.000 2.425 343 A HA 0.379 4.699 4.320 -0.001 0.000 0.249 343 A C -0.106 177.359 177.584 -0.198 0.000 1.084 343 A CA -0.299 51.639 52.037 -0.165 0.000 0.781 343 A CB 0.273 19.223 19.000 -0.083 0.000 1.019 343 A HN 0.637 nan 8.150 nan 0.000 0.490 344 C N 1.666 120.756 119.300 -0.350 0.000 2.667 344 C HA 0.634 5.094 4.460 -0.001 0.000 0.323 344 C C 0.543 175.376 174.990 -0.262 0.000 1.214 344 C CA -0.689 58.203 59.018 -0.210 0.000 1.721 344 C CB 0.921 28.563 27.740 -0.163 0.000 2.275 344 C HN 0.862 nan 8.230 nan 0.000 0.491 345 I N 1.214 121.798 120.570 0.023 0.000 2.779 345 I HA 0.587 4.756 4.170 -0.001 0.000 0.285 345 I C 0.673 176.823 176.117 0.055 0.000 1.134 345 I CA 0.265 61.633 61.300 0.115 0.000 1.398 345 I CB 0.134 38.235 38.000 0.169 0.000 1.404 345 I HN 0.721 nan 8.210 nan 0.000 0.587 346 G N 3.359 112.208 108.800 0.082 0.000 2.621 346 G HA2 0.003 3.962 3.960 -0.001 0.000 0.271 346 G HA3 0.003 3.962 3.960 -0.001 0.000 0.271 346 G C 0.191 175.198 174.900 0.179 0.000 1.236 346 G CA -0.617 44.561 45.100 0.129 0.000 0.958 346 G HN 1.078 nan 8.290 nan 0.000 0.512 347 W N -0.001 121.339 121.300 0.068 0.000 2.381 347 W HA -0.081 4.579 4.660 -0.001 0.000 0.301 347 W C 1.842 178.376 176.519 0.026 0.000 1.205 347 W CA 1.520 58.897 57.345 0.053 0.000 1.285 347 W CB 0.190 29.665 29.460 0.024 0.000 1.133 347 W HN 0.651 nan 8.180 nan 0.000 0.521 348 E N 0.182 120.333 120.200 -0.081 0.000 2.072 348 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 348 E C 2.121 178.584 176.600 -0.227 0.000 0.985 348 E CA 2.512 58.804 56.400 -0.180 0.000 0.801 348 E CB -1.062 28.641 29.700 0.006 0.000 0.750 348 E HN 0.024 nan 8.360 nan 0.000 0.452 349 T N 0.334 114.817 114.554 -0.117 0.000 2.759 349 T HA -0.161 4.189 4.350 -0.001 0.000 0.269 349 T C 1.848 176.452 174.700 -0.161 0.000 1.042 349 T CA 1.831 63.877 62.100 -0.090 0.000 1.140 349 T CB -0.514 68.355 68.868 0.002 0.000 0.864 349 T HN 0.225 nan 8.240 nan 0.000 0.455 350 T N 1.352 115.751 114.554 -0.258 0.000 2.737 350 T HA -0.074 4.276 4.350 -0.001 0.000 0.265 350 T C 1.925 176.351 174.700 -0.457 0.000 1.038 350 T CA 1.332 63.247 62.100 -0.308 0.000 1.144 350 T CB -0.235 68.444 68.868 -0.315 0.000 0.866 350 T HN 0.558 nan 8.240 nan 0.000 0.434 351 E N 0.895 120.645 120.200 -0.751 0.000 2.085 351 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 351 E C 1.630 178.058 176.600 -0.287 0.000 0.994 351 E CA 1.483 57.528 56.400 -0.592 0.000 0.801 351 E CB -0.036 29.274 29.700 -0.651 0.000 0.743 351 E HN 0.340 nan 8.360 nan 0.000 0.453 352 D N -0.067 120.196 120.400 -0.228 0.000 2.117 352 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 352 D C 2.081 178.322 176.300 -0.100 0.000 0.982 352 D CA 0.900 54.821 54.000 -0.131 0.000 0.828 352 D CB -0.263 40.475 40.800 -0.102 0.000 0.967 352 D HN 0.112 nan 8.370 nan 0.000 0.464 353 V N 1.056 120.911 119.914 -0.099 0.000 2.287 353 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 353 V C 2.604 178.679 176.094 -0.033 0.000 1.053 353 V CA 1.251 63.526 62.300 -0.043 0.000 1.027 353 V CB -0.412 31.411 31.823 0.000 0.000 0.646 353 V HN 0.191 nan 8.190 nan 0.000 0.447 354 L N -0.934 120.243 121.223 -0.077 0.000 2.093 354 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 354 L C 2.723 179.561 176.870 -0.053 0.000 1.085 354 L CA 1.425 56.226 54.840 -0.065 0.000 0.755 354 L CB -0.528 41.471 42.059 -0.099 0.000 0.904 354 L HN 0.210 nan 8.230 nan 0.000 0.435 355 R N 0.083 120.543 120.500 -0.068 0.000 2.075 355 R HA -0.176 4.164 4.340 -0.001 0.000 0.232 355 R C 2.324 178.604 176.300 -0.034 0.000 1.126 355 R CA 1.284 57.354 56.100 -0.050 0.000 0.963 355 R CB -0.162 30.103 30.300 -0.057 0.000 0.858 355 R HN 0.225 nan 8.270 nan 0.000 0.435 356 K N 0.816 121.195 120.400 -0.035 0.000 2.026 356 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 356 K C 2.034 178.628 176.600 -0.010 0.000 1.048 356 K CA 1.168 57.441 56.287 -0.024 0.000 0.929 356 K CB -0.137 32.347 32.500 -0.027 0.000 0.713 356 K HN 0.026 nan 8.250 nan 0.000 0.439 357 L N 0.820 122.044 121.223 0.001 0.000 2.083 357 L HA -0.076 4.263 4.340 -0.001 0.000 0.209 357 L C 2.102 178.973 176.870 0.002 0.000 1.083 357 L CA 2.026 56.876 54.840 0.017 0.000 0.752 357 L CB -0.574 41.509 42.059 0.040 0.000 0.899 357 L HN 0.223 nan 8.230 nan 0.000 0.433 358 A N -0.654 122.160 122.820 -0.010 0.000 2.015 358 A HA 0.018 4.338 4.320 -0.001 0.000 0.219 358 A C 2.418 179.996 177.584 -0.010 0.000 1.163 358 A CA 1.393 53.422 52.037 -0.012 0.000 0.646 358 A CB -0.935 18.055 19.000 -0.017 0.000 0.806 358 A HN 0.570 nan 8.150 nan 0.000 0.448 359 A N -0.049 122.765 122.820 -0.010 0.000 1.897 359 A HA 0.241 4.560 4.320 -0.001 0.000 0.215 359 A C 2.474 180.055 177.584 -0.005 0.000 1.181 359 A CA 1.711 53.742 52.037 -0.009 0.000 0.620 359 A CB -0.944 18.049 19.000 -0.012 0.000 0.821 359 A HN 0.990 nan 8.150 nan 0.000 0.443 360 A N -0.431 122.387 122.820 -0.003 0.000 1.908 360 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 360 A C 2.214 179.799 177.584 0.002 0.000 1.181 360 A CA 1.928 53.966 52.037 0.002 0.000 0.627 360 A CB -0.923 18.082 19.000 0.008 0.000 0.818 360 A HN 0.393 nan 8.150 nan 0.000 0.445 361 V N -0.158 119.756 119.914 0.000 0.000 2.427 361 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 361 V C 2.645 178.737 176.094 -0.004 0.000 1.051 361 V CA 2.126 64.424 62.300 -0.003 0.000 1.048 361 V CB -0.761 31.058 31.823 -0.007 0.000 0.666 361 V HN 0.523 nan 8.190 nan 0.000 0.456 362 R N -0.263 120.234 120.500 -0.005 0.000 2.075 362 R HA -0.194 4.146 4.340 -0.001 0.000 0.232 362 R C 2.385 178.683 176.300 -0.003 0.000 1.126 362 R CA 1.590 57.688 56.100 -0.005 0.000 0.963 362 R CB -0.342 29.955 30.300 -0.006 0.000 0.858 362 R HN 0.410 nan 8.270 nan 0.000 0.435 363 Q N 1.204 121.002 119.800 -0.003 0.000 2.224 363 Q HA -0.126 4.214 4.340 -0.001 0.000 0.203 363 Q C 1.867 177.867 176.000 -0.000 0.000 0.970 363 Q CA 1.505 57.307 55.803 -0.002 0.000 0.865 363 Q CB -0.124 28.613 28.738 -0.002 0.000 0.922 363 Q HN 0.186 nan 8.270 nan 0.000 0.445 364 R N -0.606 119.895 120.500 0.001 0.000 2.153 364 R HA 0.013 4.352 4.340 -0.001 0.000 0.218 364 R C 2.191 178.492 176.300 0.000 0.000 1.072 364 R CA 0.765 56.866 56.100 0.002 0.000 0.990 364 R CB -0.088 30.214 30.300 0.004 0.000 0.889 364 R HN 0.162 nan 8.270 nan 0.000 0.452 365 R N 0.335 120.834 120.500 -0.001 0.000 2.096 365 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 365 R C 1.833 178.132 176.300 -0.001 0.000 1.127 365 R CA 1.886 57.985 56.100 -0.002 0.000 0.968 365 R CB -0.031 30.267 30.300 -0.003 0.000 0.861 365 R HN 0.143 nan 8.270 nan 0.000 0.440 366 E N -0.380 119.819 120.200 -0.001 0.000 2.107 366 E HA -0.095 4.255 4.350 -0.001 0.000 0.191 366 E C 1.727 178.328 176.600 0.000 0.000 0.982 366 E CA 0.966 57.366 56.400 -0.001 0.000 0.809 366 E CB 0.087 29.786 29.700 -0.001 0.000 0.756 366 E HN 0.108 nan 8.360 nan 0.000 0.459 367 V N 1.447 121.362 119.914 0.001 0.000 2.626 367 V HA -0.149 3.971 4.120 -0.001 0.000 0.252 367 V C 0.916 177.011 176.094 0.002 0.000 1.067 367 V CA 1.069 63.370 62.300 0.002 0.000 1.081 367 V CB -0.543 31.282 31.823 0.003 0.000 0.686 367 V HN 0.225 nan 8.190 nan 0.000 0.468 368 N N 0.000 118.701 118.700 0.002 0.000 1.763 368 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 368 N CA 0.000 53.051 53.050 0.002 0.000 0.885 368 N CB 0.000 38.488 38.487 0.002 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667