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 1xgv_1_B DATA FIRST_RESID 7 DATA SEQUENCE PPcTTEELSP PPGGSLVEYS GGSLRVPDNP VVAFIRGDGV GPEVVESALK DATA SEQUENCE VVDAAVKKVY GGSRRIVWWE LLAGHLAREK cGELLPKATL EGIRLARVAL DATA SEQUENCE KGPLETPXXX XXXSLNVAIR QALDLYANIR PVRYYGQPAP HKYADRVDMV DATA SEQUENCE IFRENTEDVY AGIEWPHDSP EAARIRRFLA EEFGISIRED AGIGVKPISR DATA SEQUENCE FATRRLMERA LEWALRNGNT VVTIMHKGNI MKYTEGAFMR WAYEVALEKF DATA SEQUENCE REHVVTEQEV QEKYGGVRPE GKILVNDRIA DNMLQQIITR PWDYQVIVAP DATA SEQUENCE NLNGDYISDA ASALVGGIGM AAGMNMGDGI AVAEPVHGTA PKYAGKDLIN DATA SEQUENCE PSAEILSASL LIGEFMGWRE VKSIVEYAIR KAVQSKKVTQ DLARHMPGVQ DATA SEQUENCE PLRTSEYTET LIAYIDEADL NEVLAG 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.279 177.300 -0.034 0.000 1.155 7 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 7 P CB 0.000 31.646 31.700 -0.090 0.000 0.726 8 P HA 0.262 nan 4.420 nan 0.000 0.268 8 P C 0.133 177.400 177.300 -0.056 0.000 1.205 8 P CA -0.300 62.793 63.100 -0.013 0.000 0.771 8 P CB 0.753 32.471 31.700 0.030 0.000 0.858 9 c N 0.252 118.834 118.600 -0.030 0.000 3.403 9 c HA 0.192 4.762 4.570 -0.000 0.000 0.317 9 c C 0.546 174.621 174.090 -0.025 0.000 1.346 9 c CA 0.656 56.962 56.329 -0.038 0.000 1.743 9 c CB -0.347 42.146 42.510 -0.029 0.000 2.308 9 c HN 0.742 nan 8.230 nan 0.000 0.675 10 T N -2.658 111.891 114.554 -0.009 0.000 2.896 10 T HA 0.314 4.664 4.350 -0.000 0.000 0.297 10 T C 0.871 175.579 174.700 0.014 0.000 1.108 10 T CA 0.331 62.431 62.100 -0.000 0.000 1.004 10 T CB 1.172 70.042 68.868 0.004 0.000 1.159 10 T HN 0.138 nan 8.240 nan 0.000 0.499 11 T N -0.804 113.760 114.554 0.016 0.000 2.869 11 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 11 T C 1.259 175.986 174.700 0.044 0.000 1.082 11 T CA 1.486 63.605 62.100 0.031 0.000 1.123 11 T CB -0.484 68.400 68.868 0.026 0.000 0.856 11 T HN 0.691 nan 8.240 nan 0.000 0.499 12 E N 0.945 121.166 120.200 0.035 0.000 2.299 12 E HA 0.089 4.439 4.350 -0.000 0.000 0.193 12 E C 2.196 178.823 176.600 0.045 0.000 0.998 12 E CA 0.395 56.817 56.400 0.036 0.000 0.851 12 E CB -0.062 29.654 29.700 0.026 0.000 0.795 12 E HN 0.635 nan 8.360 nan 0.000 0.492 13 E N 0.328 120.557 120.200 0.048 0.000 2.152 13 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 13 E C 0.024 176.685 176.600 0.101 0.000 0.983 13 E CA -0.052 56.383 56.400 0.059 0.000 0.818 13 E CB -0.005 29.721 29.700 0.043 0.000 0.758 13 E HN 0.176 nan 8.360 nan 0.000 0.467 14 L N 2.677 123.975 121.223 0.125 0.000 4.744 14 L HA -0.177 4.163 4.340 -0.000 0.000 0.330 14 L C -0.275 176.735 176.870 0.233 0.000 1.234 14 L CA 0.168 55.145 54.840 0.230 0.000 1.045 14 L CB -1.448 40.722 42.059 0.185 0.000 1.655 14 L HN 0.058 nan 8.230 nan 0.000 0.365 15 S N 2.331 118.211 115.700 0.300 0.000 2.653 15 S HA 0.585 5.055 4.470 -0.000 0.000 0.272 15 S C -2.036 172.573 174.600 0.016 0.000 1.221 15 S CA -1.394 56.879 58.200 0.120 0.000 1.149 15 S CB 1.726 64.981 63.200 0.091 0.000 1.029 15 S HN 0.226 nan 8.310 nan 0.000 0.481 16 P HA 0.318 nan 4.420 nan 0.000 0.272 16 P C -2.536 174.468 177.300 -0.494 0.000 1.223 16 P CA -1.233 61.170 63.100 -1.162 0.000 0.784 16 P CB -0.581 30.398 31.700 -1.202 0.000 0.923 17 P HA 0.116 nan 4.420 nan 0.000 0.268 17 P C -1.978 175.246 177.300 -0.126 0.000 1.205 17 P CA -1.043 61.984 63.100 -0.123 0.000 0.771 17 P CB -0.477 31.211 31.700 -0.021 0.000 0.858 18 P HA -0.068 nan 4.420 nan 0.000 0.216 18 P C 1.326 178.595 177.300 -0.052 0.000 1.153 18 P CA 1.349 64.413 63.100 -0.059 0.000 0.848 18 P CB -0.328 31.355 31.700 -0.029 0.000 0.787 19 G N -0.571 108.210 108.800 -0.031 0.000 3.352 19 G HA2 0.368 4.328 3.960 -0.000 0.000 0.236 19 G HA3 0.368 4.328 3.960 -0.000 0.000 0.236 19 G C 0.314 175.194 174.900 -0.032 0.000 1.324 19 G CA 0.283 45.370 45.100 -0.021 0.000 1.404 19 G HN 0.473 nan 8.290 nan 0.000 0.542 20 G N -1.169 107.596 108.800 -0.058 0.000 2.768 20 G HA2 0.450 4.410 3.960 -0.000 0.000 0.297 20 G HA3 0.450 4.410 3.960 -0.000 0.000 0.297 20 G C -1.089 173.759 174.900 -0.087 0.000 1.430 20 G CA -0.270 44.789 45.100 -0.070 0.000 1.030 20 G HN 0.306 nan 8.290 nan 0.000 0.553 21 S N 0.411 116.070 115.700 -0.068 0.000 2.617 21 S HA 0.696 5.166 4.470 -0.000 0.000 0.283 21 S C 0.067 174.624 174.600 -0.073 0.000 1.189 21 S CA -0.682 57.478 58.200 -0.066 0.000 1.036 21 S CB 0.823 63.998 63.200 -0.042 0.000 1.014 21 S HN 0.458 nan 8.310 nan 0.000 0.522 22 L N 3.879 125.060 121.223 -0.070 0.000 2.395 22 L HA 0.404 4.744 4.340 -0.000 0.000 0.269 22 L C -0.134 176.719 176.870 -0.029 0.000 1.133 22 L CA 0.029 54.834 54.840 -0.057 0.000 0.812 22 L CB 1.164 43.193 42.059 -0.050 0.000 1.125 22 L HN 0.492 nan 8.230 nan 0.000 0.452 23 V N 3.446 123.349 119.914 -0.019 0.000 2.555 23 V HA 0.170 4.290 4.120 -0.000 0.000 0.286 23 V C 0.415 176.529 176.094 0.033 0.000 1.044 23 V CA -0.545 61.750 62.300 -0.008 0.000 1.026 23 V CB 0.845 32.653 31.823 -0.024 0.000 0.981 23 V HN 0.700 nan 8.190 nan 0.000 0.480 24 E N 2.721 122.949 120.200 0.047 0.000 2.202 24 E HA 0.509 4.859 4.350 -0.000 0.000 0.272 24 E C -1.663 175.048 176.600 0.184 0.000 0.951 24 E CA -0.650 55.801 56.400 0.086 0.000 0.813 24 E CB 2.235 31.961 29.700 0.044 0.000 1.151 24 E HN 0.603 nan 8.360 nan 0.000 0.398 25 Y N 0.841 121.152 120.300 0.020 0.000 2.406 25 Y HA 0.330 4.880 4.550 -0.000 0.000 0.340 25 Y C -0.833 175.086 175.900 0.030 0.000 0.975 25 Y CA -0.695 57.424 58.100 0.032 0.000 1.056 25 Y CB 1.863 40.357 38.460 0.057 0.000 1.210 25 Y HN 0.492 nan 8.280 nan 0.000 0.448 26 S N 2.366 117.893 115.700 -0.290 0.000 3.459 26 S HA 0.450 4.920 4.470 -0.000 0.000 0.117 26 S C -0.314 174.144 174.600 -0.236 0.000 0.859 26 S CA -0.340 57.748 58.200 -0.186 0.000 0.826 26 S CB -0.465 62.698 63.200 -0.062 0.000 1.338 26 S HN 1.835 nan 8.310 nan 0.000 0.668 27 G N -0.424 108.147 108.800 -0.382 0.000 2.720 27 G HA2 0.472 4.432 3.960 -0.000 0.000 0.207 27 G HA3 0.472 4.432 3.960 -0.000 0.000 0.207 27 G C 1.184 175.920 174.900 -0.272 0.000 1.068 27 G CA 0.635 45.584 45.100 -0.251 0.000 1.077 27 G HN 2.063 nan 8.290 nan 0.000 0.597 28 G N 0.024 108.621 108.800 -0.339 0.000 3.163 28 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.227 28 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.227 28 G C 1.175 176.018 174.900 -0.096 0.000 1.300 28 G CA 1.532 46.541 45.100 -0.152 0.000 0.867 28 G HN 2.333 nan 8.290 nan 0.000 0.533 29 S N 0.448 116.074 115.700 -0.123 0.000 2.537 29 S HA 0.642 5.112 4.470 -0.000 0.000 0.275 29 S C -0.043 174.574 174.600 0.028 0.000 1.272 29 S CA -0.304 57.887 58.200 -0.014 0.000 1.050 29 S CB 1.222 64.408 63.200 -0.025 0.000 0.961 29 S HN 1.114 nan 8.310 nan 0.000 0.496 30 L N 5.830 127.142 121.223 0.148 0.000 2.305 30 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 30 L C 0.030 176.922 176.870 0.036 0.000 1.085 30 L CA 0.075 55.015 54.840 0.166 0.000 0.813 30 L CB 0.668 42.759 42.059 0.053 0.000 1.157 30 L HN 0.689 nan 8.230 nan 0.000 0.436 31 R N 4.712 125.234 120.500 0.038 0.000 2.246 31 R HA 0.515 4.855 4.340 -0.000 0.000 0.332 31 R C -1.343 174.952 176.300 -0.007 0.000 0.974 31 R CA -0.707 55.398 56.100 0.007 0.000 0.837 31 R CB 1.349 31.654 30.300 0.008 0.000 1.145 31 R HN 0.409 nan 8.270 nan 0.000 0.467 32 V N 5.563 125.472 119.914 -0.009 0.000 2.357 32 V HA 0.314 4.434 4.120 -0.000 0.000 0.284 32 V C -1.753 174.373 176.094 0.053 0.000 1.018 32 V CA -1.670 60.629 62.300 -0.001 0.000 0.841 32 V CB 1.400 33.209 31.823 -0.024 0.000 0.991 32 V HN 0.670 nan 8.190 nan 0.000 0.437 33 P HA 0.448 nan 4.420 nan 0.000 0.293 33 P C 0.228 177.593 177.300 0.109 0.000 1.304 33 P CA -0.549 62.578 63.100 0.044 0.000 0.767 33 P CB 1.034 32.740 31.700 0.010 0.000 1.247 34 D N -0.957 119.467 120.400 0.040 0.000 2.234 34 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 34 D C 0.118 176.465 176.300 0.078 0.000 0.962 34 D CA 1.175 55.180 54.000 0.009 0.000 0.855 34 D CB -0.324 40.422 40.800 -0.091 0.000 0.951 34 D HN 0.446 nan 8.370 nan 0.000 0.500 35 N N 1.023 119.752 118.700 0.048 0.000 3.112 35 N HA 0.205 4.945 4.740 -0.000 0.000 0.270 35 N C -2.872 172.639 175.510 0.001 0.000 1.385 35 N CA -1.731 51.339 53.050 0.033 0.000 0.986 35 N CB 1.023 39.510 38.487 -0.000 0.000 1.261 35 N HN -0.031 nan 8.380 nan 0.000 0.495 36 P HA 0.154 nan 4.420 nan 0.000 0.285 36 P C -0.187 177.027 177.300 -0.143 0.000 1.259 36 P CA -0.488 62.560 63.100 -0.086 0.000 0.794 36 P CB 1.588 33.196 31.700 -0.153 0.000 0.940 37 V N 4.519 124.364 119.914 -0.114 0.000 2.470 37 V HA 0.106 4.226 4.120 -0.000 0.000 0.276 37 V C 0.519 176.587 176.094 -0.043 0.000 1.040 37 V CA 0.008 62.254 62.300 -0.089 0.000 1.008 37 V CB 1.021 32.767 31.823 -0.127 0.000 0.990 37 V HN 0.275 nan 8.190 nan 0.000 0.477 38 V N 4.950 124.840 119.914 -0.040 0.000 2.407 38 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 38 V C 0.480 176.783 176.094 0.349 0.000 1.018 38 V CA -0.776 61.544 62.300 0.032 0.000 0.842 38 V CB 1.558 33.228 31.823 -0.255 0.000 0.996 38 V HN 0.966 nan 8.190 nan 0.000 0.426 39 A N 5.633 128.671 122.820 0.362 0.000 2.477 39 A HA 0.700 5.020 4.320 -0.000 0.000 0.246 39 A C -0.530 177.271 177.584 0.363 0.000 1.078 39 A CA 0.059 52.281 52.037 0.308 0.000 0.770 39 A CB -0.041 19.010 19.000 0.085 0.000 1.011 39 A HN 1.132 nan 8.150 nan 0.000 0.494 40 F N 0.898 120.961 119.950 0.189 0.000 2.540 40 F HA 0.811 5.338 4.527 -0.000 0.000 0.317 40 F C -1.017 174.765 175.800 -0.030 0.000 1.104 40 F CA -1.416 56.646 58.000 0.104 0.000 0.913 40 F CB 1.144 40.182 39.000 0.064 0.000 1.170 40 F HN 0.349 nan 8.300 nan 0.000 0.450 41 I N 4.893 125.473 120.570 0.016 0.000 2.474 41 I HA 0.449 4.619 4.170 -0.000 0.000 0.294 41 I C 0.972 177.127 176.117 0.064 0.000 1.005 41 I CA -0.836 60.406 61.300 -0.096 0.000 1.113 41 I CB 2.221 40.164 38.000 -0.095 0.000 1.289 41 I HN 0.790 nan 8.210 nan 0.000 0.436 42 R N 3.233 123.754 120.500 0.034 0.000 2.075 42 R HA 0.159 4.499 4.340 -0.000 0.000 0.226 42 R C 1.056 177.392 176.300 0.059 0.000 1.114 42 R CA 0.819 56.974 56.100 0.092 0.000 0.972 42 R CB -0.075 30.275 30.300 0.083 0.000 0.869 42 R HN 0.999 nan 8.270 nan 0.000 0.437 43 G N 0.986 109.797 108.800 0.020 0.000 2.593 43 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.237 43 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.237 43 G C -1.049 173.937 174.900 0.143 0.000 1.312 43 G CA -0.136 44.993 45.100 0.048 0.000 0.896 43 G HN 0.284 nan 8.290 nan 0.000 0.574 44 D N 0.260 120.748 120.400 0.146 0.000 2.374 44 D HA 0.633 5.273 4.640 -0.000 0.000 0.239 44 D C 1.227 177.576 176.300 0.081 0.000 0.991 44 D CA 1.185 55.288 54.000 0.173 0.000 0.960 44 D CB 0.911 41.790 40.800 0.132 0.000 1.284 44 D HN 1.751 nan 8.370 nan 0.000 0.512 45 G N 0.069 108.873 108.800 0.006 0.000 2.629 45 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.313 45 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.313 45 G C 1.244 176.163 174.900 0.032 0.000 1.217 45 G CA 1.409 46.509 45.100 -0.001 0.000 0.994 45 G HN 0.930 nan 8.290 nan 0.000 0.549 46 V N 0.216 120.166 119.914 0.060 0.000 3.305 46 V HA 0.356 4.476 4.120 -0.000 0.000 0.269 46 V C 2.637 178.781 176.094 0.083 0.000 1.157 46 V CA 2.048 64.389 62.300 0.068 0.000 1.157 46 V CB -1.042 30.820 31.823 0.065 0.000 0.772 46 V HN 1.678 nan 8.190 nan 0.000 0.498 47 G N 1.323 110.180 108.800 0.095 0.000 2.511 47 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 47 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 47 G C -0.007 174.937 174.900 0.073 0.000 1.218 47 G CA 1.366 46.521 45.100 0.092 0.000 0.788 47 G HN 0.600 nan 8.290 nan 0.000 0.560 48 P HA -0.099 nan 4.420 nan 0.000 0.216 48 P C 1.553 178.873 177.300 0.032 0.000 1.153 48 P CA 1.578 64.722 63.100 0.073 0.000 0.858 48 P CB 0.038 31.802 31.700 0.107 0.000 0.789 49 E N -0.547 119.674 120.200 0.035 0.000 2.085 49 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 49 E C 1.739 178.342 176.600 0.004 0.000 0.994 49 E CA 1.532 57.942 56.400 0.017 0.000 0.801 49 E CB -0.849 28.866 29.700 0.025 0.000 0.743 49 E HN 0.174 nan 8.360 nan 0.000 0.453 50 V N -3.258 116.668 119.914 0.020 0.000 3.125 50 V HA 0.069 4.189 4.120 -0.000 0.000 0.249 50 V C 2.094 178.173 176.094 -0.026 0.000 1.113 50 V CA 0.631 62.941 62.300 0.017 0.000 1.106 50 V CB 0.035 31.901 31.823 0.073 0.000 0.768 50 V HN 0.050 nan 8.190 nan 0.000 0.468 51 V N 0.959 120.851 119.914 -0.037 0.000 2.379 51 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 51 V C 2.719 178.674 176.094 -0.231 0.000 1.044 51 V CA 2.544 64.781 62.300 -0.105 0.000 1.036 51 V CB -0.376 31.427 31.823 -0.033 0.000 0.664 51 V HN 0.702 nan 8.190 nan 0.000 0.453 52 E N -0.364 119.726 120.200 -0.184 0.000 2.153 52 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 52 E C 2.400 178.882 176.600 -0.196 0.000 0.988 52 E CA 1.324 57.586 56.400 -0.229 0.000 0.811 52 E CB -0.122 29.497 29.700 -0.135 0.000 0.746 52 E HN 0.517 nan 8.360 nan 0.000 0.466 53 S N -0.467 115.155 115.700 -0.130 0.000 2.368 53 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 53 S C 1.924 176.445 174.600 -0.133 0.000 1.030 53 S CA 1.241 59.377 58.200 -0.107 0.000 0.999 53 S CB -0.196 62.969 63.200 -0.057 0.000 0.844 53 S HN 0.437 nan 8.310 nan 0.000 0.459 54 A N 1.659 124.388 122.820 -0.151 0.000 1.872 54 A HA 0.128 4.448 4.320 -0.000 0.000 0.214 54 A C 2.166 179.631 177.584 -0.198 0.000 1.187 54 A CA 1.183 53.135 52.037 -0.141 0.000 0.614 54 A CB -0.801 18.130 19.000 -0.114 0.000 0.826 54 A HN 0.549 nan 8.150 nan 0.000 0.442 55 L N -0.462 120.509 121.223 -0.419 0.000 2.043 55 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 55 L C 2.519 179.256 176.870 -0.223 0.000 1.075 55 L CA 1.636 56.115 54.840 -0.602 0.000 0.752 55 L CB -0.716 40.679 42.059 -1.106 0.000 0.891 55 L HN 0.368 nan 8.230 nan 0.000 0.432 56 K N -0.155 120.133 120.400 -0.188 0.000 2.097 56 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 56 K C 2.108 178.685 176.600 -0.039 0.000 1.050 56 K CA 0.972 57.205 56.287 -0.090 0.000 0.938 56 K CB -0.248 32.192 32.500 -0.100 0.000 0.718 56 K HN 0.178 nan 8.250 nan 0.000 0.442 57 V N 1.153 121.035 119.914 -0.053 0.000 2.239 57 V HA -0.197 3.923 4.120 -0.000 0.000 0.242 57 V C 2.492 178.613 176.094 0.046 0.000 1.038 57 V CA 1.319 63.603 62.300 -0.028 0.000 1.002 57 V CB -0.406 31.379 31.823 -0.063 0.000 0.641 57 V HN -0.033 nan 8.190 nan 0.000 0.449 58 V N 0.305 120.275 119.914 0.093 0.000 2.317 58 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 58 V C 2.176 178.410 176.094 0.233 0.000 1.065 58 V CA 2.377 64.795 62.300 0.196 0.000 1.049 58 V CB -0.726 31.293 31.823 0.327 0.000 0.651 58 V HN 0.569 nan 8.190 nan 0.000 0.450 59 D N -0.449 120.099 120.400 0.246 0.000 2.348 59 D HA 0.034 4.674 4.640 -0.000 0.000 0.216 59 D C 1.999 178.386 176.300 0.145 0.000 0.970 59 D CA 1.190 55.337 54.000 0.245 0.000 0.889 59 D CB 0.149 41.118 40.800 0.281 0.000 0.912 59 D HN 0.489 nan 8.370 nan 0.000 0.524 60 A N 0.169 123.048 122.820 0.099 0.000 2.081 60 A HA 0.303 4.623 4.320 -0.000 0.000 0.214 60 A C 2.081 179.702 177.584 0.061 0.000 1.158 60 A CA 1.083 53.157 52.037 0.062 0.000 0.724 60 A CB 0.072 19.090 19.000 0.031 0.000 0.826 60 A HN 0.183 nan 8.150 nan 0.000 0.463 61 A N 0.163 123.033 122.820 0.083 0.000 1.843 61 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 61 A C 2.237 179.857 177.584 0.060 0.000 1.239 61 A CA 1.704 53.780 52.037 0.064 0.000 0.606 61 A CB -1.418 17.635 19.000 0.088 0.000 0.903 61 A HN 1.066 nan 8.150 nan 0.000 0.455 62 V N -0.502 119.504 119.914 0.155 0.000 2.363 62 V HA -0.361 3.759 4.120 -0.000 0.000 0.254 62 V C 2.177 178.358 176.094 0.144 0.000 1.074 62 V CA 2.908 65.342 62.300 0.224 0.000 1.069 62 V CB -1.023 31.045 31.823 0.409 0.000 0.659 62 V HN 0.621 nan 8.190 nan 0.000 0.455 63 K N 0.791 121.255 120.400 0.108 0.000 2.062 63 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 63 K C 2.280 178.893 176.600 0.022 0.000 1.051 63 K CA 1.625 57.955 56.287 0.071 0.000 0.941 63 K CB -0.155 32.387 32.500 0.069 0.000 0.719 63 K HN 0.490 nan 8.250 nan 0.000 0.440 64 K N 0.371 120.771 120.400 0.000 0.000 2.288 64 K HA -0.007 4.313 4.320 -0.000 0.000 0.201 64 K C 1.534 178.075 176.600 -0.098 0.000 1.048 64 K CA 0.834 57.101 56.287 -0.033 0.000 0.956 64 K CB 0.133 32.621 32.500 -0.020 0.000 0.746 64 K HN 0.014 nan 8.250 nan 0.000 0.461 65 V N -0.179 119.630 119.914 -0.175 0.000 2.426 65 V HA -0.088 4.032 4.120 -0.000 0.000 0.242 65 V C 1.091 176.909 176.094 -0.461 0.000 1.036 65 V CA 1.215 63.283 62.300 -0.387 0.000 1.044 65 V CB -0.338 31.125 31.823 -0.600 0.000 0.688 65 V HN 0.226 nan 8.190 nan 0.000 0.462 66 Y N 0.240 120.472 120.300 -0.114 0.000 2.458 66 Y HA 0.466 5.016 4.550 -0.000 0.000 0.256 66 Y C 1.887 177.724 175.900 -0.105 0.000 1.159 66 Y CA 0.205 58.215 58.100 -0.150 0.000 1.261 66 Y CB 0.084 38.393 38.460 -0.251 0.000 1.119 66 Y HN 0.299 nan 8.280 nan 0.000 0.524 67 G N -0.168 108.645 108.800 0.022 0.000 2.184 67 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.264 67 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.264 67 G C 1.238 176.148 174.900 0.018 0.000 0.975 67 G CA 0.460 45.565 45.100 0.009 0.000 0.642 67 G HN 1.123 nan 8.290 nan 0.000 0.536 68 G N -1.341 107.479 108.800 0.034 0.000 2.296 68 G HA2 0.069 4.029 3.960 -0.000 0.000 0.188 68 G HA3 0.069 4.029 3.960 -0.000 0.000 0.188 68 G C 1.645 176.547 174.900 0.004 0.000 1.000 68 G CA 1.450 46.564 45.100 0.023 0.000 0.672 68 G HN 2.156 nan 8.290 nan 0.000 0.483 69 S N 0.182 115.874 115.700 -0.013 0.000 2.399 69 S HA 0.138 4.608 4.470 -0.000 0.000 0.231 69 S C 1.221 175.762 174.600 -0.099 0.000 1.022 69 S CA 1.108 59.274 58.200 -0.056 0.000 0.983 69 S CB -0.021 63.133 63.200 -0.077 0.000 0.803 69 S HN 0.611 nan 8.310 nan 0.000 0.480 70 R N 0.774 121.194 120.500 -0.133 0.000 2.486 70 R HA 0.651 4.991 4.340 -0.000 0.000 0.286 70 R C -0.592 175.707 176.300 -0.002 0.000 0.999 70 R CA -0.507 55.486 56.100 -0.180 0.000 0.993 70 R CB 0.962 30.909 30.300 -0.590 0.000 1.084 70 R HN 0.288 nan 8.270 nan 0.000 0.487 71 R N 2.442 122.984 120.500 0.070 0.000 2.605 71 R HA 0.285 4.625 4.340 -0.000 0.000 0.291 71 R C -0.692 175.663 176.300 0.093 0.000 1.226 71 R CA -0.505 55.650 56.100 0.091 0.000 0.981 71 R CB 1.380 31.709 30.300 0.050 0.000 1.215 71 R HN 0.497 nan 8.270 nan 0.000 0.428 72 I N 3.479 124.096 120.570 0.079 0.000 2.618 72 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 72 I C 0.356 176.306 176.117 -0.277 0.000 1.146 72 I CA -0.180 61.014 61.300 -0.177 0.000 1.425 72 I CB 0.996 38.760 38.000 -0.394 0.000 1.383 72 I HN 0.238 nan 8.210 nan 0.000 0.562 73 V N 5.869 125.613 119.914 -0.283 0.000 2.328 73 V HA 0.203 4.323 4.120 -0.000 0.000 0.278 73 V C -0.561 175.463 176.094 -0.117 0.000 1.021 73 V CA -0.852 61.368 62.300 -0.134 0.000 0.838 73 V CB 0.169 31.961 31.823 -0.051 0.000 0.999 73 V HN 0.567 nan 8.190 nan 0.000 0.447 74 W N 3.927 125.342 121.300 0.192 0.000 2.287 74 W HA 0.448 5.108 4.660 -0.000 0.000 0.313 74 W C -0.296 176.524 176.519 0.501 0.000 1.267 74 W CA -0.084 57.458 57.345 0.327 0.000 1.201 74 W CB 1.060 30.630 29.460 0.183 0.000 1.196 74 W HN 0.676 nan 8.180 nan 0.000 0.536 75 W N 5.570 127.208 121.300 0.565 0.000 2.538 75 W HA 0.340 5.000 4.660 -0.000 0.000 0.322 75 W C -0.735 175.754 176.519 -0.051 0.000 1.028 75 W CA -2.112 55.378 57.345 0.240 0.000 1.228 75 W CB 0.894 30.423 29.460 0.115 0.000 1.356 75 W HN 0.329 nan 8.180 nan 0.000 0.452 76 E N 5.240 125.223 120.200 -0.363 0.000 2.259 76 E HA 0.404 4.754 4.350 -0.000 0.000 0.281 76 E C -0.906 175.167 176.600 -0.878 0.000 1.037 76 E CA -0.113 55.674 56.400 -1.022 0.000 0.854 76 E CB 0.597 29.903 29.700 -0.656 0.000 1.051 76 E HN 0.534 nan 8.360 nan 0.000 0.409 77 L N 4.370 125.107 121.223 -0.811 0.000 2.341 77 L HA 0.455 4.795 4.340 -0.000 0.000 0.267 77 L C -0.934 175.688 176.870 -0.414 0.000 1.009 77 L CA -1.282 53.201 54.840 -0.595 0.000 0.819 77 L CB 1.362 43.081 42.059 -0.567 0.000 1.323 77 L HN 0.480 nan 8.230 nan 0.000 0.425 78 L N 2.238 123.278 121.223 -0.305 0.000 2.282 78 L HA 0.796 5.136 4.340 -0.000 0.000 0.288 78 L C -0.110 176.652 176.870 -0.180 0.000 1.033 78 L CA 0.094 54.796 54.840 -0.230 0.000 0.807 78 L CB 1.630 43.574 42.059 -0.192 0.000 1.209 78 L HN 0.696 nan 8.230 nan 0.000 0.423 79 A N 2.089 124.814 122.820 -0.159 0.000 2.488 79 A HA 0.883 5.203 4.320 -0.000 0.000 0.298 79 A C 0.130 177.656 177.584 -0.096 0.000 1.044 79 A CA 0.147 52.116 52.037 -0.113 0.000 0.693 79 A CB 1.376 20.321 19.000 -0.093 0.000 1.272 79 A HN 1.042 nan 8.150 nan 0.000 0.402 80 G N 1.881 110.643 108.800 -0.064 0.000 2.601 80 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.224 80 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.224 80 G C 0.977 175.871 174.900 -0.011 0.000 1.171 80 G CA 0.843 45.935 45.100 -0.013 0.000 1.009 80 G HN 2.189 nan 8.290 nan 0.000 0.589 81 H N 1.352 120.409 119.070 -0.021 0.000 2.395 81 H HA 0.204 4.760 4.556 -0.000 0.000 0.299 81 H C 2.805 178.121 175.328 -0.020 0.000 1.070 81 H CA 1.631 57.669 56.048 -0.017 0.000 1.356 81 H CB -0.275 29.480 29.762 -0.012 0.000 1.401 81 H HN 0.403 nan 8.280 nan 0.000 0.524 82 L N 0.786 121.579 121.223 -0.717 0.000 2.093 82 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 82 L C 3.124 179.863 176.870 -0.218 0.000 1.085 82 L CA 0.995 55.552 54.840 -0.471 0.000 0.755 82 L CB -0.437 41.341 42.059 -0.469 0.000 0.904 82 L HN 0.395 nan 8.230 nan 0.000 0.435 83 A N -0.486 122.224 122.820 -0.182 0.000 1.898 83 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 83 A C 2.405 179.944 177.584 -0.075 0.000 1.181 83 A CA 1.278 53.244 52.037 -0.117 0.000 0.620 83 A CB -0.478 18.457 19.000 -0.107 0.000 0.819 83 A HN 0.255 nan 8.150 nan 0.000 0.442 84 R N -0.421 120.046 120.500 -0.056 0.000 2.148 84 R HA -0.099 4.241 4.340 -0.000 0.000 0.227 84 R C 1.881 178.171 176.300 -0.016 0.000 1.103 84 R CA 1.436 57.522 56.100 -0.023 0.000 0.983 84 R CB -0.167 30.134 30.300 0.002 0.000 0.874 84 R HN 0.696 nan 8.270 nan 0.000 0.451 85 E N -0.433 119.753 120.200 -0.023 0.000 2.152 85 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 85 E C 1.636 178.225 176.600 -0.019 0.000 0.983 85 E CA 1.021 57.416 56.400 -0.009 0.000 0.818 85 E CB 0.296 29.996 29.700 0.000 0.000 0.758 85 E HN 0.173 nan 8.360 nan 0.000 0.467 86 K N -0.465 119.913 120.400 -0.038 0.000 2.230 86 K HA 0.053 4.373 4.320 -0.000 0.000 0.219 86 K C 2.105 178.687 176.600 -0.030 0.000 1.033 86 K CA 0.604 56.870 56.287 -0.034 0.000 0.937 86 K CB 0.059 32.529 32.500 -0.049 0.000 1.018 86 K HN 0.078 nan 8.250 nan 0.000 0.463 87 c N 0.151 118.727 118.600 -0.040 0.000 2.432 87 c HA 0.157 4.727 4.570 -0.000 0.000 0.280 87 c C 1.499 175.574 174.090 -0.026 0.000 1.353 87 c CA 0.534 56.843 56.329 -0.034 0.000 1.766 87 c CB -0.717 41.766 42.510 -0.045 0.000 1.924 87 c HN 0.883 nan 8.230 nan 0.000 0.509 88 G N 1.169 109.953 108.800 -0.025 0.000 2.131 88 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.223 88 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.223 88 G C -0.290 174.600 174.900 -0.017 0.000 0.990 88 G CA 0.284 45.374 45.100 -0.017 0.000 0.671 88 G HN 0.741 nan 8.290 nan 0.000 0.521 89 E N -1.103 119.082 120.200 -0.024 0.000 2.413 89 E HA 0.663 5.013 4.350 -0.000 0.000 0.277 89 E C 0.774 177.356 176.600 -0.030 0.000 0.958 89 E CA -1.147 55.239 56.400 -0.023 0.000 0.779 89 E CB 0.959 30.646 29.700 -0.023 0.000 1.278 89 E HN 0.004 nan 8.360 nan 0.000 0.456 90 L N 0.083 121.292 121.223 -0.023 0.000 2.044 90 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 90 L C 0.708 177.556 176.870 -0.037 0.000 1.075 90 L CA 1.073 55.898 54.840 -0.024 0.000 0.747 90 L CB 0.029 42.079 42.059 -0.014 0.000 0.903 90 L HN 0.431 nan 8.230 nan 0.000 0.435 91 L N 0.751 121.953 121.223 -0.035 0.000 2.377 91 L HA 0.498 4.838 4.340 -0.000 0.000 0.270 91 L C -2.524 174.321 176.870 -0.042 0.000 0.991 91 L CA -1.974 52.840 54.840 -0.043 0.000 0.851 91 L CB 0.959 42.996 42.059 -0.036 0.000 1.218 91 L HN -0.213 nan 8.230 nan 0.000 0.420 92 P HA 0.360 nan 4.420 nan 0.000 0.282 92 P C 0.017 177.290 177.300 -0.045 0.000 1.259 92 P CA -0.548 62.524 63.100 -0.048 0.000 0.826 92 P CB 1.201 32.865 31.700 -0.060 0.000 1.064 93 K N 0.799 121.180 120.400 -0.032 0.000 2.148 93 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 93 K C 1.921 178.505 176.600 -0.028 0.000 1.050 93 K CA 1.413 57.686 56.287 -0.024 0.000 0.942 93 K CB -0.526 31.968 32.500 -0.011 0.000 0.724 93 K HN 0.497 nan 8.250 nan 0.000 0.446 94 A N 0.517 123.315 122.820 -0.036 0.000 2.019 94 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 94 A C 2.023 179.554 177.584 -0.089 0.000 1.164 94 A CA 1.914 53.926 52.037 -0.041 0.000 0.644 94 A CB -0.714 18.261 19.000 -0.041 0.000 0.805 94 A HN 0.256 nan 8.150 nan 0.000 0.449 95 T N 0.587 115.073 114.554 -0.113 0.000 2.701 95 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 95 T C 1.815 176.447 174.700 -0.115 0.000 1.040 95 T CA 1.459 63.465 62.100 -0.158 0.000 1.147 95 T CB -0.392 68.390 68.868 -0.143 0.000 0.865 95 T HN 0.412 nan 8.240 nan 0.000 0.426 96 L N 0.833 122.017 121.223 -0.067 0.000 2.046 96 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 96 L C 2.841 179.705 176.870 -0.010 0.000 1.077 96 L CA 1.231 56.049 54.840 -0.036 0.000 0.747 96 L CB -0.603 41.444 42.059 -0.021 0.000 0.896 96 L HN 0.208 nan 8.230 nan 0.000 0.432 97 E N 0.328 120.528 120.200 0.000 0.000 2.208 97 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 97 E C 2.207 178.856 176.600 0.081 0.000 0.988 97 E CA 1.080 57.503 56.400 0.039 0.000 0.828 97 E CB -0.139 29.587 29.700 0.043 0.000 0.763 97 E HN 0.538 nan 8.360 nan 0.000 0.478 98 G N 1.663 110.480 108.800 0.029 0.000 2.421 98 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 98 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 98 G C 1.710 176.670 174.900 0.099 0.000 1.171 98 G CA 0.527 45.642 45.100 0.024 0.000 0.775 98 G HN 0.172 nan 8.290 nan 0.000 0.543 99 I N -0.141 120.429 120.570 -0.000 0.000 2.394 99 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 99 I C 2.894 179.060 176.117 0.081 0.000 1.136 99 I CA 0.728 62.052 61.300 0.040 0.000 1.425 99 I CB -0.168 37.825 38.000 -0.012 0.000 1.079 99 I HN 0.053 nan 8.210 nan 0.000 0.425 100 R N 0.252 120.796 120.500 0.074 0.000 2.115 100 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 100 R C 2.232 178.592 176.300 0.100 0.000 1.111 100 R CA 1.177 57.322 56.100 0.074 0.000 0.976 100 R CB -0.089 30.248 30.300 0.062 0.000 0.870 100 R HN 0.252 nan 8.270 nan 0.000 0.445 101 L N -0.439 120.868 121.223 0.140 0.000 2.162 101 L HA 0.092 4.432 4.340 -0.000 0.000 0.205 101 L C 2.080 179.028 176.870 0.131 0.000 1.086 101 L CA 1.289 56.209 54.840 0.133 0.000 0.778 101 L CB -0.107 42.041 42.059 0.149 0.000 0.928 101 L HN 0.061 nan 8.230 nan 0.000 0.446 102 A N -1.327 121.617 122.820 0.207 0.000 2.016 102 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 102 A C 1.614 179.270 177.584 0.120 0.000 1.162 102 A CA 1.000 53.149 52.037 0.187 0.000 0.662 102 A CB -0.100 19.101 19.000 0.336 0.000 0.812 102 A HN 0.481 nan 8.150 nan 0.000 0.450 103 R N -2.678 117.888 120.500 0.110 0.000 3.872 103 R HA -0.184 4.156 4.340 -0.000 0.000 0.377 103 R C 0.357 176.724 176.300 0.111 0.000 0.628 103 R CA 1.630 57.782 56.100 0.087 0.000 1.612 103 R CB -2.826 27.520 30.300 0.077 0.000 2.008 103 R HN 1.109 nan 8.270 nan 0.000 0.414 104 V N -2.434 117.552 119.914 0.121 0.000 2.604 104 V HA 0.965 5.085 4.120 -0.000 0.000 0.305 104 V C -0.253 175.916 176.094 0.124 0.000 1.043 104 V CA -0.248 62.132 62.300 0.134 0.000 0.888 104 V CB 2.235 34.136 31.823 0.130 0.000 0.995 104 V HN 0.444 nan 8.190 nan 0.000 0.429 105 A N 4.210 127.095 122.820 0.108 0.000 2.574 105 A HA 0.887 5.207 4.320 -0.000 0.000 0.297 105 A C -1.546 176.117 177.584 0.132 0.000 1.062 105 A CA -0.634 51.480 52.037 0.127 0.000 0.686 105 A CB 1.929 20.965 19.000 0.059 0.000 1.285 105 A HN 1.543 nan 8.150 nan 0.000 0.403 106 L N 0.905 122.251 121.223 0.205 0.000 2.334 106 L HA 0.844 5.184 4.340 -0.000 0.000 0.273 106 L C -0.314 176.622 176.870 0.110 0.000 1.013 106 L CA -0.224 54.715 54.840 0.165 0.000 0.816 106 L CB 1.659 43.859 42.059 0.236 0.000 1.278 106 L HN 0.736 nan 8.230 nan 0.000 0.431 107 K N 2.156 122.588 120.400 0.052 0.000 2.525 107 K HA 0.629 4.949 4.320 -0.000 0.000 0.254 107 K C -0.649 175.954 176.600 0.004 0.000 0.934 107 K CA -0.549 55.751 56.287 0.020 0.000 0.802 107 K CB 1.727 34.220 32.500 -0.011 0.000 1.295 107 K HN 0.858 nan 8.250 nan 0.000 0.433 108 G N 2.645 111.453 108.800 0.013 0.000 2.547 108 G HA2 0.432 4.392 3.960 -0.000 0.000 0.291 108 G HA3 0.432 4.392 3.960 -0.000 0.000 0.291 108 G C -2.495 172.402 174.900 -0.004 0.000 1.211 108 G CA -1.120 43.987 45.100 0.013 0.000 0.950 108 G HN 0.379 nan 8.290 nan 0.000 0.504 109 P HA 0.225 nan 4.420 nan 0.000 0.272 109 P C -0.661 176.654 177.300 0.026 0.000 1.223 109 P CA -0.009 63.093 63.100 0.004 0.000 0.784 109 P CB 1.249 32.977 31.700 0.048 0.000 0.923 110 L N 0.997 122.227 121.223 0.013 0.000 2.362 110 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 110 L C 0.824 177.705 176.870 0.019 0.000 1.002 110 L CA -0.922 53.929 54.840 0.019 0.000 0.818 110 L CB 2.048 44.107 42.059 0.001 0.000 1.298 110 L HN 0.403 nan 8.230 nan 0.000 0.420 111 E N 1.063 121.278 120.200 0.026 0.000 2.331 111 E HA 0.157 4.507 4.350 -0.000 0.000 0.272 111 E C -0.710 175.894 176.600 0.006 0.000 1.036 111 E CA -0.302 56.107 56.400 0.015 0.000 0.864 111 E CB 1.321 31.030 29.700 0.016 0.000 1.035 111 E HN 0.531 nan 8.360 nan 0.000 0.408 112 T N 4.360 118.913 114.554 -0.001 0.000 2.963 112 T HA 0.463 4.813 4.350 -0.000 0.000 0.343 112 T C -2.204 172.491 174.700 -0.008 0.000 1.146 112 T CA -1.478 60.618 62.100 -0.007 0.000 1.016 112 T CB 0.777 69.637 68.868 -0.013 0.000 1.046 112 T HN 0.305 nan 8.240 nan 0.000 0.496 121 L N 1.560 122.772 121.223 -0.019 0.000 2.275 121 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 121 L C 2.148 179.004 176.870 -0.023 0.000 1.119 121 L CA 0.786 55.614 54.840 -0.020 0.000 0.790 121 L CB -0.730 41.318 42.059 -0.019 0.000 0.919 121 L HN 0.654 nan 8.230 nan 0.000 0.443 122 N N 0.083 118.768 118.700 -0.025 0.000 2.104 122 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 122 N C 1.895 177.389 175.510 -0.026 0.000 1.024 122 N CA 1.365 54.397 53.050 -0.029 0.000 0.853 122 N CB -0.482 37.986 38.487 -0.031 0.000 1.008 122 N HN 0.172 nan 8.380 nan 0.000 0.424 123 V N 1.430 121.332 119.914 -0.020 0.000 2.427 123 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 123 V C 2.469 178.558 176.094 -0.008 0.000 1.051 123 V CA 1.511 63.804 62.300 -0.012 0.000 1.048 123 V CB -1.002 30.815 31.823 -0.010 0.000 0.666 123 V HN 0.269 nan 8.190 nan 0.000 0.456 124 A N 0.438 123.250 122.820 -0.013 0.000 1.865 124 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 124 A C 2.187 179.764 177.584 -0.012 0.000 1.191 124 A CA 2.098 54.129 52.037 -0.011 0.000 0.623 124 A CB -0.596 18.395 19.000 -0.014 0.000 0.826 124 A HN 0.471 nan 8.150 nan 0.000 0.444 125 I N -0.641 119.917 120.570 -0.021 0.000 2.118 125 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 125 I C 2.809 178.913 176.117 -0.022 0.000 1.070 125 I CA 1.789 63.074 61.300 -0.026 0.000 1.327 125 I CB -0.350 37.627 38.000 -0.038 0.000 1.034 125 I HN 0.286 nan 8.210 nan 0.000 0.405 126 R N 0.175 120.662 120.500 -0.022 0.000 2.083 126 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 126 R C 2.325 178.630 176.300 0.010 0.000 1.137 126 R CA 1.708 57.798 56.100 -0.016 0.000 0.951 126 R CB -0.482 29.810 30.300 -0.013 0.000 0.851 126 R HN 0.533 nan 8.270 nan 0.000 0.434 127 Q N -0.455 119.354 119.800 0.016 0.000 2.167 127 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 127 Q C 2.011 178.030 176.000 0.032 0.000 0.970 127 Q CA 1.300 57.122 55.803 0.032 0.000 0.855 127 Q CB 0.060 28.812 28.738 0.024 0.000 0.911 127 Q HN 0.355 nan 8.270 nan 0.000 0.438 128 A N 0.218 123.048 122.820 0.018 0.000 2.016 128 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 128 A C 1.676 179.274 177.584 0.024 0.000 1.162 128 A CA 0.722 52.770 52.037 0.018 0.000 0.662 128 A CB -0.010 18.994 19.000 0.006 0.000 0.812 128 A HN 0.267 nan 8.150 nan 0.000 0.450 129 L N -1.247 119.987 121.223 0.019 0.000 2.693 129 L HA 0.179 4.519 4.340 -0.000 0.000 0.235 129 L C 0.113 177.006 176.870 0.038 0.000 1.127 129 L CA 0.048 54.899 54.840 0.019 0.000 0.914 129 L CB 0.065 42.119 42.059 -0.008 0.000 1.193 129 L HN 0.230 nan 8.230 nan 0.000 0.502 130 D N 1.636 122.076 120.400 0.066 0.000 2.705 130 D HA -0.190 4.450 4.640 -0.000 0.000 0.240 130 D C -0.096 176.263 176.300 0.097 0.000 1.137 130 D CA 0.595 54.676 54.000 0.134 0.000 0.677 130 D CB -0.857 40.063 40.800 0.200 0.000 1.049 130 D HN 0.216 nan 8.370 nan 0.000 0.427 131 L N 1.779 122.999 121.223 -0.005 0.000 2.423 131 L HA 0.101 4.441 4.340 -0.000 0.000 0.249 131 L C 1.685 178.483 176.870 -0.120 0.000 1.276 131 L CA -0.635 54.120 54.840 -0.142 0.000 1.199 131 L CB -0.589 41.391 42.059 -0.132 0.000 1.407 131 L HN 0.234 nan 8.230 nan 0.000 0.410 132 Y N 0.158 120.450 120.300 -0.014 0.000 2.457 132 Y HA 0.279 4.829 4.550 -0.000 0.000 0.292 132 Y C 1.039 176.931 175.900 -0.014 0.000 1.125 132 Y CA -0.222 57.879 58.100 0.001 0.000 1.254 132 Y CB -0.224 38.243 38.460 0.012 0.000 1.012 132 Y HN 0.329 nan 8.280 nan 0.000 0.555 133 A N 1.518 124.174 122.820 -0.273 0.000 2.258 133 A HA 0.390 4.710 4.320 -0.000 0.000 0.316 133 A C -1.029 176.401 177.584 -0.256 0.000 1.279 133 A CA -0.689 51.252 52.037 -0.160 0.000 0.876 133 A CB -0.144 18.754 19.000 -0.171 0.000 1.170 133 A HN 0.465 nan 8.150 nan 0.000 0.520 134 N N 2.342 120.924 118.700 -0.198 0.000 2.419 134 N HA 0.515 5.255 4.740 -0.000 0.000 0.264 134 N C -1.065 174.213 175.510 -0.386 0.000 1.031 134 N CA -0.103 52.804 53.050 -0.239 0.000 0.951 134 N CB 0.362 38.772 38.487 -0.129 0.000 1.101 134 N HN 0.534 nan 8.380 nan 0.000 0.488 135 I N 3.275 123.557 120.570 -0.481 0.000 2.382 135 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 135 I C -0.084 175.787 176.117 -0.411 0.000 1.002 135 I CA -0.610 60.272 61.300 -0.698 0.000 1.135 135 I CB 1.334 38.770 38.000 -0.941 0.000 1.288 135 I HN 0.366 nan 8.210 nan 0.000 0.448 136 R N 7.359 127.659 120.500 -0.334 0.000 2.422 136 R HA 0.386 4.726 4.340 -0.000 0.000 0.307 136 R C -2.684 173.544 176.300 -0.120 0.000 1.004 136 R CA -1.625 54.373 56.100 -0.170 0.000 0.882 136 R CB 1.840 32.077 30.300 -0.106 0.000 1.164 136 R HN 0.263 nan 8.270 nan 0.000 0.489 137 P HA 0.141 nan 4.420 nan 0.000 0.280 137 P C -0.672 176.670 177.300 0.070 0.000 1.244 137 P CA -0.315 62.798 63.100 0.022 0.000 0.784 137 P CB 1.575 33.338 31.700 0.105 0.000 0.913 138 V N 5.180 125.141 119.914 0.078 0.000 2.443 138 V HA 0.502 4.622 4.120 -0.000 0.000 0.293 138 V C 0.337 176.478 176.094 0.077 0.000 1.021 138 V CA -0.491 61.863 62.300 0.089 0.000 0.848 138 V CB 1.473 33.339 31.823 0.071 0.000 0.998 138 V HN 0.545 nan 8.190 nan 0.000 0.424 139 R N 2.521 123.045 120.500 0.040 0.000 2.799 139 R HA 0.535 4.875 4.340 -0.000 0.000 0.270 139 R C -1.863 174.301 176.300 -0.226 0.000 1.010 139 R CA -0.973 55.059 56.100 -0.113 0.000 0.916 139 R CB 2.796 32.949 30.300 -0.246 0.000 1.228 139 R HN 0.628 nan 8.270 nan 0.000 0.469 140 Y N 0.942 121.015 120.300 -0.379 0.000 2.328 140 Y HA 0.264 4.814 4.550 -0.000 0.000 0.337 140 Y C -0.526 175.122 175.900 -0.419 0.000 1.008 140 Y CA -0.642 57.297 58.100 -0.268 0.000 1.129 140 Y CB 0.683 39.093 38.460 -0.083 0.000 1.185 140 Y HN 0.575 nan 8.280 nan 0.000 0.476 141 Y N 3.433 123.483 120.300 -0.416 0.000 2.584 141 Y HA 0.315 4.865 4.550 -0.000 0.000 0.254 141 Y C 1.528 177.092 175.900 -0.561 0.000 1.177 141 Y CA 0.096 57.985 58.100 -0.352 0.000 1.216 141 Y CB 0.844 39.227 38.460 -0.129 0.000 1.172 141 Y HN 0.938 nan 8.280 nan 0.000 0.529 142 G N 0.200 108.271 108.800 -1.215 0.000 2.175 142 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 142 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 142 G C 0.356 175.069 174.900 -0.312 0.000 0.982 142 G CA 0.105 44.721 45.100 -0.807 0.000 0.641 142 G HN 0.334 nan 8.290 nan 0.000 0.527 143 Q N 0.557 120.225 119.800 -0.221 0.000 2.584 143 Q HA 0.364 4.704 4.340 -0.000 0.000 0.235 143 Q C -2.577 173.522 176.000 0.166 0.000 1.079 143 Q CA -1.011 54.810 55.803 0.031 0.000 0.977 143 Q CB -0.348 28.432 28.738 0.070 0.000 1.293 143 Q HN 0.255 nan 8.270 nan 0.000 0.553 144 P HA 0.258 nan 4.420 nan 0.000 0.271 144 P C -1.415 175.932 177.300 0.080 0.000 1.220 144 P CA 0.223 63.374 63.100 0.086 0.000 0.768 144 P CB 0.759 32.476 31.700 0.028 0.000 0.848 145 A N 4.798 127.663 122.820 0.074 0.000 2.515 145 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 145 A C -1.975 175.603 177.584 -0.010 0.000 1.059 145 A CA -0.996 51.071 52.037 0.049 0.000 0.698 145 A CB 0.979 20.037 19.000 0.097 0.000 1.289 145 A HN 0.355 nan 8.150 nan 0.000 0.404 146 P HA -0.004 nan 4.420 nan 0.000 0.231 146 P C 0.045 177.347 177.300 0.003 0.000 1.168 146 P CA 0.879 63.961 63.100 -0.030 0.000 0.779 146 P CB 0.016 31.688 31.700 -0.048 0.000 0.844 147 H N 1.133 120.130 119.070 -0.121 0.000 2.668 147 H HA 0.231 4.787 4.556 -0.000 0.000 0.303 147 H C 1.211 176.401 175.328 -0.231 0.000 1.074 147 H CA -0.303 55.650 56.048 -0.158 0.000 1.406 147 H CB 0.857 30.551 29.762 -0.113 0.000 1.442 147 H HN -0.184 nan 8.280 nan 0.000 0.482 148 K N 3.526 123.746 120.400 -0.301 0.000 2.211 148 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 148 K C 0.193 176.444 176.600 -0.582 0.000 1.047 148 K CA 1.289 57.265 56.287 -0.518 0.000 0.935 148 K CB 0.181 32.261 32.500 -0.700 0.000 0.728 148 K HN 0.646 nan 8.250 nan 0.000 0.452 149 Y N -0.849 119.112 120.300 -0.565 0.000 2.751 149 Y HA 0.273 4.823 4.550 -0.000 0.000 0.289 149 Y C 1.533 177.124 175.900 -0.515 0.000 1.110 149 Y CA -0.804 57.007 58.100 -0.483 0.000 1.251 149 Y CB 0.383 38.656 38.460 -0.312 0.000 1.178 149 Y HN -0.004 nan 8.280 nan 0.000 0.540 150 A N 0.898 123.465 122.820 -0.421 0.000 1.948 150 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 150 A C 1.964 179.240 177.584 -0.513 0.000 1.177 150 A CA 2.264 54.032 52.037 -0.448 0.000 0.636 150 A CB -0.470 18.073 19.000 -0.763 0.000 0.815 150 A HN 0.606 nan 8.150 nan 0.000 0.449 151 D N -1.020 119.068 120.400 -0.521 0.000 2.371 151 D HA -0.102 4.538 4.640 -0.000 0.000 0.221 151 D C 1.434 177.763 176.300 0.050 0.000 0.986 151 D CA 0.584 54.514 54.000 -0.118 0.000 0.899 151 D CB -0.397 40.433 40.800 0.051 0.000 0.902 151 D HN 0.487 nan 8.370 nan 0.000 0.530 152 R N 0.092 120.632 120.500 0.067 0.000 2.507 152 R HA 0.237 4.577 4.340 -0.000 0.000 0.298 152 R C -0.388 176.017 176.300 0.176 0.000 0.999 152 R CA -0.191 56.012 56.100 0.172 0.000 1.082 152 R CB 1.139 31.619 30.300 0.299 0.000 1.246 152 R HN 0.009 nan 8.270 nan 0.000 0.553 153 V N 1.827 121.815 119.914 0.123 0.000 2.368 153 V HA 0.136 4.256 4.120 -0.000 0.000 0.266 153 V C -0.299 175.861 176.094 0.110 0.000 1.045 153 V CA -0.300 62.076 62.300 0.126 0.000 0.899 153 V CB 1.225 33.126 31.823 0.129 0.000 1.006 153 V HN 0.063 nan 8.190 nan 0.000 0.470 154 D N 6.074 126.543 120.400 0.115 0.000 2.381 154 D HA 0.459 5.099 4.640 -0.000 0.000 0.245 154 D C -0.678 175.696 176.300 0.124 0.000 1.297 154 D CA -0.217 53.848 54.000 0.108 0.000 0.931 154 D CB 0.712 41.576 40.800 0.107 0.000 1.334 154 D HN 0.417 nan 8.370 nan 0.000 0.535 155 M N 1.074 120.743 119.600 0.114 0.000 2.619 155 M HA 0.591 5.071 4.480 -0.000 0.000 0.297 155 M C -0.940 175.413 176.300 0.089 0.000 1.229 155 M CA -1.226 54.140 55.300 0.110 0.000 0.860 155 M CB 2.839 35.493 32.600 0.091 0.000 1.741 155 M HN -0.121 nan 8.290 nan 0.000 0.462 156 V N 2.279 122.235 119.914 0.070 0.000 2.623 156 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 156 V C -0.983 175.119 176.094 0.014 0.000 1.054 156 V CA -0.620 61.669 62.300 -0.019 0.000 0.882 156 V CB 2.141 33.870 31.823 -0.158 0.000 1.002 156 V HN 0.656 nan 8.190 nan 0.000 0.424 157 I N 4.614 125.155 120.570 -0.048 0.000 2.321 157 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 157 I C -0.580 175.493 176.117 -0.073 0.000 0.998 157 I CA 0.178 61.471 61.300 -0.012 0.000 1.227 157 I CB 0.942 38.922 38.000 -0.033 0.000 1.368 157 I HN 0.436 nan 8.210 nan 0.000 0.466 158 F N 6.421 126.295 119.950 -0.125 0.000 2.334 158 F HA 0.439 4.966 4.527 -0.000 0.000 0.367 158 F C 0.611 176.390 175.800 -0.035 0.000 1.115 158 F CA -0.452 57.482 58.000 -0.110 0.000 1.116 158 F CB 0.642 39.582 39.000 -0.100 0.000 1.230 158 F HN 0.359 nan 8.300 nan 0.000 0.484 159 R N 3.970 124.473 120.500 0.005 0.000 2.343 159 R HA 0.198 4.537 4.340 -0.000 0.000 0.320 159 R C -0.372 175.958 176.300 0.050 0.000 0.956 159 R CA -0.679 55.428 56.100 0.013 0.000 0.836 159 R CB 1.047 31.319 30.300 -0.047 0.000 1.151 159 R HN 0.437 nan 8.270 nan 0.000 0.450 160 E N 3.235 123.501 120.200 0.110 0.000 2.415 160 E HA -0.081 4.269 4.350 -0.000 0.000 0.260 160 E C -0.640 176.007 176.600 0.078 0.000 1.016 160 E CA 0.311 56.802 56.400 0.152 0.000 0.924 160 E CB 0.724 30.567 29.700 0.238 0.000 0.961 160 E HN 0.560 nan 8.360 nan 0.000 0.459 161 N N 2.408 121.166 118.700 0.097 0.000 2.328 161 N HA 0.030 4.770 4.740 -0.000 0.000 0.247 161 N C 0.354 175.920 175.510 0.094 0.000 1.165 161 N CA 0.351 53.444 53.050 0.072 0.000 0.873 161 N CB 0.478 38.985 38.487 0.034 0.000 1.125 161 N HN 0.477 nan 8.380 nan 0.000 0.513 162 T N -4.852 109.768 114.554 0.110 0.000 2.966 162 T HA 0.335 4.685 4.350 -0.000 0.000 0.254 162 T C 0.661 175.419 174.700 0.097 0.000 0.961 162 T CA -0.045 62.120 62.100 0.109 0.000 0.915 162 T CB 0.860 69.809 68.868 0.134 0.000 1.186 162 T HN -0.011 nan 8.240 nan 0.000 0.505 163 E N 0.804 121.058 120.200 0.091 0.000 2.808 163 E HA 0.524 4.874 4.350 -0.000 0.000 0.213 163 E C -0.884 175.741 176.600 0.041 0.000 0.784 163 E CA -0.921 55.527 56.400 0.079 0.000 1.154 163 E CB 0.491 30.253 29.700 0.104 0.000 1.693 163 E HN 0.160 nan 8.360 nan 0.000 0.422 164 D N -0.874 119.542 120.400 0.026 0.000 5.019 164 D HA -0.194 4.446 4.640 -0.000 0.000 0.304 164 D C 0.749 177.053 176.300 0.007 0.000 2.360 164 D CA 1.176 55.155 54.000 -0.036 0.000 1.276 164 D CB -0.325 40.367 40.800 -0.180 0.000 1.079 164 D HN 0.313 nan 8.370 nan 0.000 1.254 165 V N -0.508 119.401 119.914 -0.010 0.000 3.026 165 V HA -0.158 3.962 4.120 -0.000 0.000 0.265 165 V C 2.058 178.285 176.094 0.222 0.000 1.121 165 V CA 1.609 63.957 62.300 0.081 0.000 1.142 165 V CB -0.821 31.046 31.823 0.074 0.000 0.730 165 V HN 0.497 nan 8.190 nan 0.000 0.503 166 Y N 1.124 121.405 120.300 -0.032 0.000 2.583 166 Y HA 0.477 5.027 4.550 -0.000 0.000 0.293 166 Y C 2.525 178.409 175.900 -0.027 0.000 1.157 166 Y CA -0.278 57.806 58.100 -0.028 0.000 1.315 166 Y CB -1.013 37.434 38.460 -0.023 0.000 1.021 166 Y HN 0.361 nan 8.280 nan 0.000 0.536 167 A N -0.254 122.640 122.820 0.123 0.000 2.216 167 A HA 0.245 4.565 4.320 -0.000 0.000 0.214 167 A C 2.168 179.752 177.584 -0.000 0.000 1.160 167 A CA 1.043 53.114 52.037 0.056 0.000 0.725 167 A CB -1.062 17.966 19.000 0.046 0.000 0.784 167 A HN 0.559 nan 8.150 nan 0.000 0.472 168 G N -0.982 107.805 108.800 -0.021 0.000 2.147 168 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 168 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 168 G C 0.031 174.821 174.900 -0.183 0.000 1.005 168 G CA 0.246 45.292 45.100 -0.090 0.000 0.713 168 G HN 0.560 nan 8.290 nan 0.000 0.515 169 I N 1.559 122.015 120.570 -0.189 0.000 2.281 169 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 169 I C 0.449 176.243 176.117 -0.538 0.000 1.085 169 I CA -0.029 61.054 61.300 -0.362 0.000 1.257 169 I CB 0.333 38.224 38.000 -0.181 0.000 1.430 169 I HN 0.504 nan 8.210 nan 0.000 0.489 170 E N 5.670 125.320 120.200 -0.916 0.000 2.396 170 E HA 0.483 4.833 4.350 -0.000 0.000 0.280 170 E C -2.031 174.047 176.600 -0.870 0.000 1.065 170 E CA -1.067 54.914 56.400 -0.698 0.000 0.831 170 E CB 1.594 31.151 29.700 -0.240 0.000 1.272 170 E HN 0.286 nan 8.360 nan 0.000 0.443 171 W N 0.343 121.671 121.300 0.046 0.000 3.022 171 W HA 0.366 5.026 4.660 0.000 0.000 0.335 171 W C -2.685 173.864 176.519 0.050 0.000 1.133 171 W CA -2.018 55.350 57.345 0.039 0.000 1.219 171 W CB 1.464 30.944 29.460 0.033 0.000 1.409 171 W HN 0.389 nan 8.180 nan 0.000 0.507 172 P HA -0.082 nan 4.420 nan 0.000 0.267 172 P C 1.185 178.582 177.300 0.163 0.000 1.200 172 P CA 0.570 63.777 63.100 0.178 0.000 0.772 172 P CB 0.395 32.153 31.700 0.096 0.000 0.855 173 H N 2.476 121.606 119.070 0.101 0.000 2.422 173 H HA -0.168 4.388 4.556 -0.000 0.000 0.298 173 H C 0.425 175.793 175.328 0.066 0.000 1.098 173 H CA 2.040 58.138 56.048 0.083 0.000 1.315 173 H CB -0.617 29.183 29.762 0.062 0.000 1.382 173 H HN 0.389 nan 8.280 nan 0.000 0.523 174 D N 1.203 121.204 120.400 -0.664 0.000 2.368 174 D HA 0.033 4.673 4.640 -0.000 0.000 0.218 174 D C 0.378 176.570 176.300 -0.180 0.000 1.112 174 D CA -0.031 53.701 54.000 -0.447 0.000 0.834 174 D CB -0.307 40.141 40.800 -0.587 0.000 0.953 174 D HN 0.398 nan 8.370 nan 0.000 0.505 175 S N 0.441 116.087 115.700 -0.090 0.000 2.601 175 S HA 0.295 4.765 4.470 -0.000 0.000 0.271 175 S C -1.335 173.246 174.600 -0.031 0.000 1.305 175 S CA -0.932 57.255 58.200 -0.021 0.000 1.022 175 S CB 1.821 65.059 63.200 0.064 0.000 0.940 175 S HN -0.138 nan 8.310 nan 0.000 0.525 176 P HA -0.063 nan 4.420 nan 0.000 0.220 176 P C 0.747 177.993 177.300 -0.089 0.000 1.148 176 P CA 1.069 64.140 63.100 -0.048 0.000 0.803 176 P CB 0.082 31.761 31.700 -0.036 0.000 0.782 177 E N 0.548 120.685 120.200 -0.105 0.000 2.047 177 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 177 E C 2.341 178.692 176.600 -0.415 0.000 0.987 177 E CA 1.487 57.725 56.400 -0.269 0.000 0.799 177 E CB -1.171 28.396 29.700 -0.221 0.000 0.752 177 E HN 0.164 nan 8.360 nan 0.000 0.449 178 A N 1.088 123.775 122.820 -0.222 0.000 1.902 178 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 178 A C 2.372 179.896 177.584 -0.100 0.000 1.181 178 A CA 1.914 53.876 52.037 -0.125 0.000 0.623 178 A CB -0.910 18.130 19.000 0.067 0.000 0.818 178 A HN 0.285 nan 8.150 nan 0.000 0.443 179 A N 0.189 122.963 122.820 -0.076 0.000 1.908 179 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 179 A C 2.227 179.776 177.584 -0.059 0.000 1.181 179 A CA 1.521 53.529 52.037 -0.048 0.000 0.627 179 A CB -0.498 18.479 19.000 -0.039 0.000 0.818 179 A HN 0.551 nan 8.150 nan 0.000 0.445 180 R N -0.577 119.858 120.500 -0.108 0.000 2.096 180 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 180 R C 1.975 178.227 176.300 -0.079 0.000 1.127 180 R CA 1.485 57.521 56.100 -0.106 0.000 0.968 180 R CB -0.711 29.487 30.300 -0.170 0.000 0.861 180 R HN 0.570 nan 8.270 nan 0.000 0.440 181 I N 0.710 121.183 120.570 -0.162 0.000 2.252 181 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 181 I C 2.842 179.018 176.117 0.098 0.000 1.102 181 I CA 1.202 62.462 61.300 -0.068 0.000 1.385 181 I CB -0.213 37.616 38.000 -0.285 0.000 1.064 181 I HN 0.074 nan 8.210 nan 0.000 0.414 182 R N 0.358 120.881 120.500 0.038 0.000 2.083 182 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 182 R C 2.479 178.814 176.300 0.059 0.000 1.137 182 R CA 1.573 57.707 56.100 0.058 0.000 0.951 182 R CB -0.154 30.168 30.300 0.037 0.000 0.851 182 R HN 0.312 nan 8.270 nan 0.000 0.434 183 R N -0.811 119.720 120.500 0.052 0.000 2.090 183 R HA -0.117 4.223 4.340 -0.000 0.000 0.228 183 R C 2.155 178.488 176.300 0.056 0.000 1.110 183 R CA 1.262 57.386 56.100 0.039 0.000 0.973 183 R CB -0.397 29.919 30.300 0.027 0.000 0.869 183 R HN 0.202 nan 8.270 nan 0.000 0.440 184 F N 1.584 121.499 119.950 -0.058 0.000 2.095 184 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 184 F C 1.767 177.530 175.800 -0.063 0.000 1.104 184 F CA 1.399 59.357 58.000 -0.071 0.000 1.232 184 F CB -0.201 38.767 39.000 -0.054 0.000 0.987 184 F HN -0.127 nan 8.300 nan 0.000 0.475 185 L N 0.567 121.725 121.223 -0.109 0.000 2.056 185 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 185 L C 2.796 179.631 176.870 -0.058 0.000 1.078 185 L CA 1.792 56.606 54.840 -0.044 0.000 0.749 185 L CB -2.093 40.044 42.059 0.131 0.000 0.901 185 L HN 0.287 nan 8.230 nan 0.000 0.433 186 A N -0.501 122.295 122.820 -0.041 0.000 1.841 186 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 186 A C 2.241 179.763 177.584 -0.103 0.000 1.199 186 A CA 1.958 53.971 52.037 -0.041 0.000 0.621 186 A CB -0.654 18.335 19.000 -0.018 0.000 0.835 186 A HN 0.495 nan 8.150 nan 0.000 0.445 187 E N -0.565 119.548 120.200 -0.144 0.000 2.077 187 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 187 E C 2.061 178.496 176.600 -0.276 0.000 0.989 187 E CA 1.340 57.642 56.400 -0.163 0.000 0.800 187 E CB -0.131 29.492 29.700 -0.128 0.000 0.746 187 E HN 0.716 nan 8.360 nan 0.000 0.452 188 E N -0.465 119.420 120.200 -0.524 0.000 2.140 188 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 188 E C 1.240 177.336 176.600 -0.840 0.000 0.973 188 E CA 0.703 56.588 56.400 -0.859 0.000 0.829 188 E CB 0.184 28.989 29.700 -1.491 0.000 0.781 188 E HN 0.323 nan 8.360 nan 0.000 0.466 189 F N -0.338 119.504 119.950 -0.181 0.000 2.729 189 F HA 0.357 4.884 4.527 0.000 0.000 0.315 189 F C 1.243 176.998 175.800 -0.075 0.000 1.102 189 F CA -0.094 57.833 58.000 -0.121 0.000 1.204 189 F CB 1.083 40.003 39.000 -0.133 0.000 1.052 189 F HN -0.012 nan 8.300 nan 0.000 0.551 190 G N 2.022 110.839 108.800 0.029 0.000 2.321 190 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.287 190 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.287 190 G C 0.039 174.970 174.900 0.051 0.000 1.018 190 G CA -0.067 45.048 45.100 0.026 0.000 0.855 190 G HN 0.207 nan 8.290 nan 0.000 0.507 191 I N 0.759 121.374 120.570 0.075 0.000 2.371 191 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 191 I C 0.646 176.794 176.117 0.050 0.000 1.028 191 I CA -0.384 60.959 61.300 0.072 0.000 1.345 191 I CB 1.323 39.382 38.000 0.098 0.000 1.407 191 I HN 0.034 nan 8.210 nan 0.000 0.501 192 S N 7.102 122.828 115.700 0.043 0.000 2.437 192 S HA 0.694 5.164 4.470 -0.000 0.000 0.305 192 S C -0.206 174.420 174.600 0.044 0.000 1.109 192 S CA -0.459 57.763 58.200 0.037 0.000 1.099 192 S CB 1.063 64.280 63.200 0.028 0.000 1.004 192 S HN 0.341 nan 8.310 nan 0.000 0.475 193 I N 3.278 123.877 120.570 0.049 0.000 2.545 193 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 193 I C 0.262 176.410 176.117 0.052 0.000 1.040 193 I CA -0.950 60.383 61.300 0.056 0.000 1.068 193 I CB 1.729 39.773 38.000 0.072 0.000 1.251 193 I HN 0.378 nan 8.210 nan 0.000 0.424 194 R N 4.035 124.565 120.500 0.051 0.000 2.734 194 R HA 0.055 4.395 4.340 -0.000 0.000 0.266 194 R C 0.719 177.057 176.300 0.062 0.000 1.044 194 R CA -0.362 55.767 56.100 0.049 0.000 1.128 194 R CB 0.745 31.071 30.300 0.043 0.000 1.010 194 R HN 0.608 nan 8.270 nan 0.000 0.461 195 E N 1.544 121.779 120.200 0.059 0.000 2.150 195 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 195 E C 0.559 177.225 176.600 0.109 0.000 0.985 195 E CA 1.117 57.558 56.400 0.068 0.000 0.814 195 E CB 0.002 29.733 29.700 0.053 0.000 0.752 195 E HN 0.604 nan 8.360 nan 0.000 0.466 196 D N 0.335 120.802 120.400 0.111 0.000 2.434 196 D HA 0.162 4.802 4.640 -0.000 0.000 0.232 196 D C -0.149 176.218 176.300 0.112 0.000 1.166 196 D CA -0.219 53.875 54.000 0.157 0.000 0.830 196 D CB -0.085 40.765 40.800 0.083 0.000 0.960 196 D HN -0.064 nan 8.370 nan 0.000 0.497 197 A N 0.131 123.029 122.820 0.131 0.000 2.304 197 A HA 0.675 4.995 4.320 -0.000 0.000 0.323 197 A C 0.757 178.449 177.584 0.179 0.000 1.195 197 A CA -0.414 51.692 52.037 0.114 0.000 0.826 197 A CB 1.002 20.056 19.000 0.090 0.000 1.184 197 A HN 0.224 nan 8.150 nan 0.000 0.496 198 G N 0.710 109.610 108.800 0.167 0.000 2.527 198 G HA2 0.506 4.466 3.960 -0.000 0.000 0.248 198 G HA3 0.506 4.466 3.960 -0.000 0.000 0.248 198 G C -0.410 174.596 174.900 0.178 0.000 1.231 198 G CA -0.285 44.931 45.100 0.194 0.000 0.838 198 G HN 0.705 nan 8.290 nan 0.000 0.570 199 I N 1.044 121.756 120.570 0.236 0.000 2.478 199 I HA 0.473 4.643 4.170 -0.000 0.000 0.287 199 I C 0.536 176.818 176.117 0.274 0.000 1.042 199 I CA -0.676 60.785 61.300 0.268 0.000 1.067 199 I CB 2.275 40.473 38.000 0.329 0.000 1.233 199 I HN 0.625 nan 8.210 nan 0.000 0.431 200 G N 4.783 113.688 108.800 0.176 0.000 2.473 200 G HA2 0.739 4.699 3.960 -0.000 0.000 0.321 200 G HA3 0.739 4.699 3.960 -0.000 0.000 0.321 200 G C -1.197 173.784 174.900 0.136 0.000 1.200 200 G CA -0.533 44.624 45.100 0.095 0.000 0.963 200 G HN 0.301 nan 8.290 nan 0.000 0.483 201 V N 0.431 120.398 119.914 0.088 0.000 2.680 201 V HA 0.545 4.665 4.120 -0.000 0.000 0.309 201 V C -0.140 175.998 176.094 0.074 0.000 1.052 201 V CA -0.924 61.449 62.300 0.121 0.000 0.908 201 V CB 1.957 33.885 31.823 0.176 0.000 1.001 201 V HN 0.747 nan 8.190 nan 0.000 0.431 202 K N 5.896 126.344 120.400 0.079 0.000 2.473 202 K HA 0.497 4.817 4.320 -0.000 0.000 0.246 202 K C -2.720 173.929 176.600 0.082 0.000 1.011 202 K CA -1.459 54.864 56.287 0.060 0.000 0.984 202 K CB 1.636 34.158 32.500 0.038 0.000 1.250 202 K HN 0.478 nan 8.250 nan 0.000 0.454 203 P HA 0.368 nan 4.420 nan 0.000 0.294 203 P C -0.824 176.556 177.300 0.134 0.000 1.294 203 P CA -0.624 62.544 63.100 0.113 0.000 0.827 203 P CB 1.180 32.940 31.700 0.100 0.000 0.992 204 I N 2.006 122.693 120.570 0.196 0.000 2.478 204 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 204 I C 0.419 176.745 176.117 0.349 0.000 1.042 204 I CA -0.497 60.971 61.300 0.280 0.000 1.067 204 I CB 1.836 40.037 38.000 0.335 0.000 1.233 204 I HN 0.426 nan 8.210 nan 0.000 0.431 205 S N 5.769 121.599 115.700 0.217 0.000 2.621 205 S HA 0.568 5.038 4.470 -0.000 0.000 0.302 205 S C 0.963 175.313 174.600 -0.418 0.000 1.093 205 S CA -0.717 57.468 58.200 -0.024 0.000 1.017 205 S CB 2.799 65.994 63.200 -0.008 0.000 1.077 205 S HN 0.686 nan 8.310 nan 0.000 0.517 206 R N -0.002 119.809 120.500 -1.148 0.000 2.080 206 R HA -0.101 4.239 4.340 -0.000 0.000 0.236 206 R C 2.048 178.000 176.300 -0.580 0.000 1.137 206 R CA 1.876 57.062 56.100 -1.523 0.000 0.943 206 R CB -0.585 28.783 30.300 -1.553 0.000 0.846 206 R HN 0.784 nan 8.270 nan 0.000 0.431 207 F N 0.874 120.551 119.950 -0.454 0.000 2.095 207 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 207 F C 2.090 177.741 175.800 -0.249 0.000 1.104 207 F CA 1.897 59.724 58.000 -0.288 0.000 1.232 207 F CB -0.419 38.452 39.000 -0.214 0.000 0.987 207 F HN 0.124 nan 8.300 nan 0.000 0.475 208 A N -0.571 122.160 122.820 -0.150 0.000 1.930 208 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 208 A C 2.148 179.606 177.584 -0.209 0.000 1.175 208 A CA 2.039 53.946 52.037 -0.216 0.000 0.627 208 A CB -1.376 17.649 19.000 0.041 0.000 0.815 208 A HN 0.465 nan 8.150 nan 0.000 0.443 209 T N -0.380 114.080 114.554 -0.158 0.000 2.708 209 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 209 T C 2.105 176.640 174.700 -0.274 0.000 1.037 209 T CA 1.588 63.548 62.100 -0.234 0.000 1.146 209 T CB -0.218 68.518 68.868 -0.219 0.000 0.865 209 T HN 0.492 nan 8.240 nan 0.000 0.435 210 R N 0.583 120.918 120.500 -0.275 0.000 2.080 210 R HA -0.006 4.334 4.340 -0.000 0.000 0.236 210 R C 2.802 178.973 176.300 -0.215 0.000 1.137 210 R CA 1.406 57.374 56.100 -0.220 0.000 0.943 210 R CB -0.202 29.964 30.300 -0.223 0.000 0.846 210 R HN 0.287 nan 8.270 nan 0.000 0.431 211 R N 0.297 120.564 120.500 -0.390 0.000 2.096 211 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 211 R C 2.364 178.626 176.300 -0.064 0.000 1.139 211 R CA 1.657 57.519 56.100 -0.396 0.000 0.952 211 R CB -0.522 29.166 30.300 -1.019 0.000 0.854 211 R HN 0.146 nan 8.270 nan 0.000 0.436 212 L N 0.171 121.375 121.223 -0.031 0.000 2.017 212 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 212 L C 2.321 179.250 176.870 0.098 0.000 1.073 212 L CA 1.663 56.615 54.840 0.186 0.000 0.745 212 L CB -0.297 41.887 42.059 0.207 0.000 0.894 212 L HN 0.138 nan 8.230 nan 0.000 0.432 213 M N -0.310 119.268 119.600 -0.037 0.000 2.159 213 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 213 M C 2.051 178.283 176.300 -0.113 0.000 1.063 213 M CA 1.725 56.958 55.300 -0.112 0.000 1.110 213 M CB -0.400 32.108 32.600 -0.154 0.000 1.374 213 M HN 0.342 nan 8.290 nan 0.000 0.411 214 E N -0.774 119.435 120.200 0.015 0.000 2.085 214 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 214 E C 2.033 178.704 176.600 0.118 0.000 0.994 214 E CA 0.987 57.481 56.400 0.158 0.000 0.801 214 E CB -0.080 29.752 29.700 0.221 0.000 0.743 214 E HN 0.337 nan 8.360 nan 0.000 0.453 215 R N 0.268 120.853 120.500 0.141 0.000 2.092 215 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 215 R C 2.064 178.308 176.300 -0.094 0.000 1.119 215 R CA 1.156 57.382 56.100 0.211 0.000 0.970 215 R CB -1.037 29.506 30.300 0.407 0.000 0.864 215 R HN 0.175 nan 8.270 nan 0.000 0.440 216 A N 0.814 123.339 122.820 -0.491 0.000 1.898 216 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 216 A C 2.017 179.257 177.584 -0.573 0.000 1.181 216 A CA 1.026 52.370 52.037 -1.155 0.000 0.620 216 A CB -0.402 18.094 19.000 -0.839 0.000 0.819 216 A HN 0.107 nan 8.150 nan 0.000 0.442 217 L N 0.024 120.965 121.223 -0.471 0.000 2.056 217 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 217 L C 2.336 179.004 176.870 -0.336 0.000 1.078 217 L CA 2.022 56.511 54.840 -0.586 0.000 0.749 217 L CB -1.374 39.868 42.059 -1.362 0.000 0.901 217 L HN 0.503 nan 8.230 nan 0.000 0.433 218 E N -2.182 117.950 120.200 -0.113 0.000 2.110 218 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 218 E C 2.054 178.718 176.600 0.107 0.000 0.988 218 E CA 1.297 57.764 56.400 0.112 0.000 0.804 218 E CB -0.248 29.596 29.700 0.240 0.000 0.745 218 E HN 0.464 nan 8.360 nan 0.000 0.458 219 W N 1.114 122.374 121.300 -0.068 0.000 2.354 219 W HA -0.188 4.472 4.660 -0.000 0.000 0.315 219 W C 2.539 179.036 176.519 -0.037 0.000 1.206 219 W CA 2.038 59.384 57.345 0.002 0.000 1.290 219 W CB -0.408 29.057 29.460 0.008 0.000 1.152 219 W HN 0.049 nan 8.180 nan 0.000 0.489 220 A N -0.174 122.749 122.820 0.171 0.000 1.917 220 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 220 A C 2.017 179.591 177.584 -0.017 0.000 1.182 220 A CA 1.966 54.044 52.037 0.069 0.000 0.633 220 A CB -1.128 17.854 19.000 -0.031 0.000 0.819 220 A HN 0.382 nan 8.150 nan 0.000 0.448 221 L N -1.770 119.416 121.223 -0.062 0.000 2.056 221 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 221 L C 2.849 179.661 176.870 -0.097 0.000 1.078 221 L CA 1.514 56.292 54.840 -0.103 0.000 0.749 221 L CB -0.309 41.672 42.059 -0.130 0.000 0.901 221 L HN 0.341 nan 8.230 nan 0.000 0.433 222 R N 0.100 120.535 120.500 -0.109 0.000 2.083 222 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 222 R C 1.517 177.713 176.300 -0.174 0.000 1.137 222 R CA 1.587 57.592 56.100 -0.157 0.000 0.951 222 R CB -0.097 30.051 30.300 -0.254 0.000 0.851 222 R HN 0.408 nan 8.270 nan 0.000 0.434 223 N N -0.577 118.003 118.700 -0.200 0.000 2.268 223 N HA 0.068 4.808 4.740 -0.000 0.000 0.204 223 N C 0.214 175.699 175.510 -0.041 0.000 1.124 223 N CA 0.851 53.812 53.050 -0.148 0.000 0.838 223 N CB 1.325 39.679 38.487 -0.222 0.000 0.994 223 N HN 0.365 nan 8.380 nan 0.000 0.489 224 G N 1.781 110.560 108.800 -0.035 0.000 2.305 224 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.287 224 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.287 224 G C -0.070 174.841 174.900 0.019 0.000 1.036 224 G CA -0.165 44.930 45.100 -0.009 0.000 0.887 224 G HN 0.317 nan 8.290 nan 0.000 0.505 225 N N -0.204 118.520 118.700 0.039 0.000 2.508 225 N HA 0.297 5.037 4.740 -0.000 0.000 0.264 225 N C 1.559 177.088 175.510 0.031 0.000 1.216 225 N CA 0.982 54.070 53.050 0.063 0.000 0.943 225 N CB 0.943 39.498 38.487 0.114 0.000 1.113 225 N HN 0.475 nan 8.380 nan 0.000 0.447 226 T N -3.164 111.408 114.554 0.030 0.000 3.010 226 T HA 0.237 4.587 4.350 -0.000 0.000 0.257 226 T C 0.338 175.042 174.700 0.007 0.000 1.020 226 T CA -0.142 61.965 62.100 0.013 0.000 0.938 226 T CB 0.200 69.073 68.868 0.009 0.000 1.049 226 T HN 0.168 nan 8.240 nan 0.000 0.522 227 V N 1.501 121.423 119.914 0.014 0.000 2.686 227 V HA 0.651 4.771 4.120 -0.000 0.000 0.306 227 V C -0.872 175.235 176.094 0.021 0.000 1.065 227 V CA -1.006 61.300 62.300 0.010 0.000 0.894 227 V CB 2.159 33.974 31.823 -0.013 0.000 1.004 227 V HN 0.146 nan 8.190 nan 0.000 0.424 228 V N 3.036 122.952 119.914 0.004 0.000 2.487 228 V HA 0.583 4.703 4.120 -0.000 0.000 0.298 228 V C 0.004 176.101 176.094 0.006 0.000 1.028 228 V CA -0.221 62.069 62.300 -0.017 0.000 0.860 228 V CB 2.119 33.885 31.823 -0.095 0.000 0.991 228 V HN 0.962 nan 8.190 nan 0.000 0.427 229 T N 6.124 120.708 114.554 0.050 0.000 2.786 229 T HA 0.614 4.964 4.350 -0.000 0.000 0.283 229 T C -0.211 174.520 174.700 0.053 0.000 0.992 229 T CA -0.179 61.974 62.100 0.088 0.000 0.954 229 T CB 0.976 69.968 68.868 0.207 0.000 0.934 229 T HN 0.393 nan 8.240 nan 0.000 0.440 230 I N 3.745 124.337 120.570 0.037 0.000 2.352 230 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 230 I C 0.350 176.582 176.117 0.192 0.000 1.036 230 I CA -0.300 61.064 61.300 0.105 0.000 1.336 230 I CB 0.870 38.879 38.000 0.015 0.000 1.407 230 I HN 0.419 nan 8.210 nan 0.000 0.497 231 M N 8.691 128.369 119.600 0.130 0.000 2.088 231 M HA 0.405 4.885 4.480 -0.000 0.000 0.346 231 M C -1.193 175.110 176.300 0.005 0.000 1.111 231 M CA -0.133 55.178 55.300 0.018 0.000 1.017 231 M CB 0.307 32.864 32.600 -0.070 0.000 1.568 231 M HN 0.783 nan 8.290 nan 0.000 0.445 232 H N 2.089 121.109 119.070 -0.083 0.000 3.046 232 H HA 0.497 5.053 4.556 -0.000 0.000 0.361 232 H C -1.733 173.543 175.328 -0.088 0.000 1.235 232 H CA -1.140 54.846 56.048 -0.102 0.000 1.146 232 H CB 1.114 30.875 29.762 -0.002 0.000 1.859 232 H HN 0.525 nan 8.280 nan 0.000 0.548 233 K N 1.746 122.092 120.400 -0.089 0.000 3.045 233 K HA 0.335 4.655 4.320 -0.000 0.000 0.214 233 K C 0.973 177.590 176.600 0.028 0.000 1.213 233 K CA 0.179 56.407 56.287 -0.098 0.000 1.111 233 K CB -0.175 32.257 32.500 -0.113 0.000 1.454 233 K HN 0.877 nan 8.250 nan 0.000 0.498 234 G N 0.702 109.664 108.800 0.269 0.000 2.572 234 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 234 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 234 G C 1.124 176.056 174.900 0.053 0.000 1.133 234 G CA 0.325 45.541 45.100 0.193 0.000 0.791 234 G HN 0.581 nan 8.290 nan 0.000 0.538 235 N N 0.972 119.699 118.700 0.045 0.000 2.331 235 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 235 N C 1.605 177.081 175.510 -0.057 0.000 1.019 235 N CA 0.977 54.020 53.050 -0.013 0.000 0.881 235 N CB -0.141 38.340 38.487 -0.010 0.000 0.972 235 N HN 0.294 nan 8.380 nan 0.000 0.435 236 I N -0.133 120.399 120.570 -0.063 0.000 3.039 236 I HA 0.196 4.366 4.170 -0.000 0.000 0.270 236 I C 0.820 176.871 176.117 -0.111 0.000 1.150 236 I CA 0.455 61.707 61.300 -0.080 0.000 1.448 236 I CB -0.577 37.386 38.000 -0.062 0.000 1.197 236 I HN 0.040 nan 8.210 nan 0.000 0.450 237 M N 1.502 121.043 119.600 -0.100 0.000 3.028 237 M HA 0.212 4.692 4.480 -0.000 0.000 0.296 237 M C 1.065 177.271 176.300 -0.157 0.000 1.314 237 M CA -0.079 55.152 55.300 -0.114 0.000 1.383 237 M CB 0.744 33.305 32.600 -0.065 0.000 1.128 237 M HN 0.005 nan 8.290 nan 0.000 0.544 238 K N 0.381 120.584 120.400 -0.328 0.000 2.097 238 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 238 K C 0.716 177.146 176.600 -0.283 0.000 1.049 238 K CA 1.659 57.697 56.287 -0.415 0.000 0.933 238 K CB 0.130 32.181 32.500 -0.748 0.000 0.717 238 K HN 0.603 nan 8.250 nan 0.000 0.442 239 Y N -0.251 120.017 120.300 -0.053 0.000 2.457 239 Y HA -0.007 4.543 4.550 -0.000 0.000 0.263 239 Y C 2.203 178.081 175.900 -0.037 0.000 1.164 239 Y CA 0.247 58.308 58.100 -0.065 0.000 1.274 239 Y CB 0.455 38.895 38.460 -0.034 0.000 1.097 239 Y HN 0.188 nan 8.280 nan 0.000 0.523 240 T N -3.488 111.122 114.554 0.092 0.000 3.311 240 T HA 0.045 4.395 4.350 -0.000 0.000 0.239 240 T C 1.433 176.193 174.700 0.101 0.000 0.976 240 T CA 0.124 62.293 62.100 0.116 0.000 1.283 240 T CB -0.190 68.734 68.868 0.093 0.000 1.113 240 T HN 0.033 nan 8.240 nan 0.000 0.392 241 E N 1.461 121.687 120.200 0.042 0.000 2.112 241 E HA 0.057 4.407 4.350 -0.000 0.000 0.190 241 E C 2.443 179.090 176.600 0.077 0.000 0.979 241 E CA 1.018 57.450 56.400 0.053 0.000 0.814 241 E CB -0.490 29.209 29.700 -0.001 0.000 0.762 241 E HN 0.640 nan 8.360 nan 0.000 0.460 242 G N 1.609 110.406 108.800 -0.005 0.000 2.418 242 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 242 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 242 G C 1.752 176.540 174.900 -0.187 0.000 1.158 242 G CA 1.005 46.054 45.100 -0.084 0.000 0.771 242 G HN 0.334 nan 8.290 nan 0.000 0.545 243 A N 0.477 123.135 122.820 -0.270 0.000 1.902 243 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 243 A C 2.148 179.386 177.584 -0.577 0.000 1.181 243 A CA 1.553 53.136 52.037 -0.755 0.000 0.623 243 A CB -0.604 17.780 19.000 -1.026 0.000 0.818 243 A HN 0.387 nan 8.150 nan 0.000 0.443 244 F N 0.403 120.249 119.950 -0.173 0.000 2.065 244 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 244 F C 2.414 178.215 175.800 0.001 0.000 1.112 244 F CA 2.537 60.592 58.000 0.092 0.000 1.212 244 F CB -0.215 38.831 39.000 0.077 0.000 0.975 244 F HN 0.328 nan 8.300 nan 0.000 0.476 245 M N 0.200 119.873 119.600 0.120 0.000 2.086 245 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 245 M C 2.367 178.656 176.300 -0.019 0.000 1.067 245 M CA 1.933 57.197 55.300 -0.059 0.000 1.116 245 M CB -0.479 31.858 32.600 -0.438 0.000 1.348 245 M HN 0.162 nan 8.290 nan 0.000 0.407 246 R N -0.513 119.930 120.500 -0.094 0.000 2.081 246 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 246 R C 2.050 178.362 176.300 0.020 0.000 1.131 246 R CA 1.998 58.058 56.100 -0.067 0.000 0.960 246 R CB -0.341 29.811 30.300 -0.247 0.000 0.856 246 R HN 0.573 nan 8.270 nan 0.000 0.436 247 W N 0.079 121.359 121.300 -0.033 0.000 2.402 247 W HA 0.040 4.700 4.660 -0.000 0.000 0.286 247 W C 2.267 178.708 176.519 -0.131 0.000 1.221 247 W CA 0.656 57.955 57.345 -0.076 0.000 1.257 247 W CB -0.735 28.658 29.460 -0.112 0.000 1.120 247 W HN 0.195 nan 8.180 nan 0.000 0.551 248 A N -0.584 122.220 122.820 -0.027 0.000 1.873 248 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 248 A C 1.782 179.319 177.584 -0.080 0.000 1.186 248 A CA 1.313 53.251 52.037 -0.165 0.000 0.616 248 A CB -1.375 17.419 19.000 -0.344 0.000 0.823 248 A HN 0.235 nan 8.150 nan 0.000 0.442 249 Y N 0.004 120.293 120.300 -0.019 0.000 2.224 249 Y HA -0.184 4.366 4.550 -0.000 0.000 0.289 249 Y C 2.480 178.404 175.900 0.039 0.000 1.146 249 Y CA 1.704 59.808 58.100 0.007 0.000 1.182 249 Y CB -0.252 38.205 38.460 -0.006 0.000 0.983 249 Y HN 0.529 nan 8.280 nan 0.000 0.524 250 E N -0.037 120.294 120.200 0.217 0.000 2.028 250 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 250 E C 2.109 178.798 176.600 0.148 0.000 0.988 250 E CA 1.848 58.352 56.400 0.175 0.000 0.799 250 E CB -0.056 29.759 29.700 0.192 0.000 0.755 250 E HN 0.293 nan 8.360 nan 0.000 0.447 251 V N 0.566 120.558 119.914 0.129 0.000 2.407 251 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 251 V C 2.475 178.704 176.094 0.225 0.000 1.055 251 V CA 1.617 63.999 62.300 0.137 0.000 1.049 251 V CB -1.336 30.552 31.823 0.109 0.000 0.662 251 V HN 0.348 nan 8.190 nan 0.000 0.455 252 A N 0.797 123.731 122.820 0.190 0.000 1.865 252 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 252 A C 2.277 180.021 177.584 0.267 0.000 1.191 252 A CA 2.132 54.303 52.037 0.225 0.000 0.623 252 A CB -0.638 18.416 19.000 0.089 0.000 0.826 252 A HN 0.507 nan 8.150 nan 0.000 0.444 253 L N -1.090 120.252 121.223 0.198 0.000 2.217 253 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 253 L C 2.611 179.555 176.870 0.124 0.000 1.107 253 L CA 1.591 56.525 54.840 0.158 0.000 0.783 253 L CB -0.520 41.618 42.059 0.133 0.000 0.919 253 L HN 0.617 nan 8.230 nan 0.000 0.442 254 E N 0.539 120.811 120.200 0.121 0.000 2.076 254 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 254 E C 1.666 178.282 176.600 0.027 0.000 0.979 254 E CA 0.925 57.367 56.400 0.070 0.000 0.807 254 E CB 0.353 30.093 29.700 0.067 0.000 0.761 254 E HN 0.369 nan 8.360 nan 0.000 0.454 255 K N -1.256 119.161 120.400 0.028 0.000 2.380 255 K HA 0.123 4.443 4.320 -0.000 0.000 0.198 255 K C 0.092 176.424 176.600 -0.446 0.000 1.070 255 K CA -0.075 56.086 56.287 -0.211 0.000 1.040 255 K CB 0.781 33.107 32.500 -0.289 0.000 0.903 255 K HN 0.041 nan 8.250 nan 0.000 0.549 256 F N -0.093 119.899 119.950 0.069 0.000 2.815 256 F HA 0.244 4.771 4.527 -0.000 0.000 0.323 256 F C 1.456 177.300 175.800 0.074 0.000 1.151 256 F CA -0.570 57.494 58.000 0.106 0.000 1.191 256 F CB 0.587 39.655 39.000 0.113 0.000 1.069 256 F HN -0.223 nan 8.300 nan 0.000 0.514 257 R N 1.774 122.363 120.500 0.149 0.000 2.133 257 R HA -0.228 4.112 4.340 -0.000 0.000 0.245 257 R C 1.516 177.854 176.300 0.063 0.000 1.137 257 R CA 2.207 58.367 56.100 0.100 0.000 0.947 257 R CB -0.488 29.842 30.300 0.050 0.000 0.865 257 R HN 0.424 nan 8.270 nan 0.000 0.437 258 E N -1.310 118.870 120.200 -0.033 0.000 2.274 258 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 258 E C 1.416 177.927 176.600 -0.148 0.000 0.996 258 E CA 0.710 57.031 56.400 -0.132 0.000 0.840 258 E CB -0.087 29.452 29.700 -0.268 0.000 0.772 258 E HN 0.543 nan 8.360 nan 0.000 0.491 259 H N -0.645 118.495 119.070 0.117 0.000 2.539 259 H HA 0.223 4.779 4.556 -0.000 0.000 0.269 259 H C -0.071 175.307 175.328 0.084 0.000 0.980 259 H CA 0.224 56.337 56.048 0.108 0.000 1.152 259 H CB 0.627 30.490 29.762 0.168 0.000 1.407 259 H HN -0.076 nan 8.280 nan 0.000 0.564 260 V N 1.008 121.029 119.914 0.179 0.000 2.876 260 V HA 0.385 4.505 4.120 -0.000 0.000 0.312 260 V C -0.492 175.672 176.094 0.117 0.000 1.085 260 V CA -0.758 61.625 62.300 0.140 0.000 0.945 260 V CB 3.219 35.139 31.823 0.162 0.000 1.017 260 V HN -0.146 nan 8.190 nan 0.000 0.428 261 V N 2.633 122.609 119.914 0.104 0.000 2.841 261 V HA 0.538 4.658 4.120 -0.000 0.000 0.310 261 V C -0.123 176.054 176.094 0.138 0.000 1.090 261 V CA -0.356 62.017 62.300 0.122 0.000 0.930 261 V CB 2.751 34.615 31.823 0.069 0.000 1.014 261 V HN 0.912 nan 8.190 nan 0.000 0.425 262 T N 1.848 116.494 114.554 0.154 0.000 2.929 262 T HA 0.274 4.624 4.350 -0.000 0.000 0.284 262 T C 1.007 175.785 174.700 0.129 0.000 1.014 262 T CA -0.254 61.941 62.100 0.158 0.000 1.051 262 T CB 1.634 70.567 68.868 0.108 0.000 1.028 262 T HN 0.839 nan 8.240 nan 0.000 0.485 263 E N 0.981 121.256 120.200 0.125 0.000 2.058 263 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 263 E C 2.043 178.686 176.600 0.072 0.000 0.997 263 E CA 1.299 57.757 56.400 0.096 0.000 0.801 263 E CB 0.090 29.849 29.700 0.098 0.000 0.746 263 E HN 0.573 nan 8.360 nan 0.000 0.450 264 Q N 0.371 120.198 119.800 0.045 0.000 2.096 264 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 264 Q C 1.894 177.914 176.000 0.034 0.000 0.982 264 Q CA 1.560 57.377 55.803 0.023 0.000 0.850 264 Q CB 0.054 28.786 28.738 -0.011 0.000 0.901 264 Q HN 0.298 nan 8.270 nan 0.000 0.422 265 E N -0.705 119.529 120.200 0.056 0.000 2.085 265 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 265 E C 2.038 178.716 176.600 0.130 0.000 0.994 265 E CA 1.438 57.880 56.400 0.072 0.000 0.801 265 E CB 0.037 29.814 29.700 0.129 0.000 0.743 265 E HN 0.152 nan 8.360 nan 0.000 0.453 266 V N 0.674 120.705 119.914 0.196 0.000 2.287 266 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 266 V C 1.594 177.768 176.094 0.134 0.000 1.053 266 V CA 1.647 64.085 62.300 0.230 0.000 1.027 266 V CB -0.249 31.661 31.823 0.146 0.000 0.646 266 V HN 0.212 nan 8.190 nan 0.000 0.447 267 Q N -0.883 118.964 119.800 0.078 0.000 2.894 267 Q HA 0.213 4.553 4.340 -0.000 0.000 0.358 267 Q C 0.652 176.661 176.000 0.015 0.000 1.155 267 Q CA 0.376 56.205 55.803 0.043 0.000 0.960 267 Q CB 0.239 29.000 28.738 0.037 0.000 1.428 267 Q HN 0.674 nan 8.270 nan 0.000 0.437 268 E N -1.587 118.609 120.200 -0.007 0.000 1.964 268 E HA 0.044 4.394 4.350 -0.000 0.000 0.242 268 E C 0.613 177.150 176.600 -0.106 0.000 1.079 268 E CA 0.216 56.589 56.400 -0.045 0.000 1.600 268 E CB 0.316 29.988 29.700 -0.046 0.000 3.831 268 E HN 0.134 nan 8.360 nan 0.000 0.963 269 K N -0.431 119.850 120.400 -0.199 0.000 2.313 269 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 269 K C 0.476 176.790 176.600 -0.477 0.000 1.061 269 K CA 0.523 56.543 56.287 -0.445 0.000 0.980 269 K CB 0.564 32.589 32.500 -0.792 0.000 0.888 269 K HN 0.106 nan 8.250 nan 0.000 0.502 270 Y N 0.335 120.642 120.300 0.012 0.000 2.696 270 Y HA 0.232 4.782 4.550 -0.000 0.000 0.260 270 Y C 0.855 176.762 175.900 0.011 0.000 1.165 270 Y CA -0.295 57.812 58.100 0.013 0.000 1.189 270 Y CB 1.273 39.743 38.460 0.016 0.000 1.180 270 Y HN 0.193 nan 8.280 nan 0.000 0.538 271 G N 0.529 109.386 108.800 0.096 0.000 2.225 271 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.267 271 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.267 271 G C 1.145 176.086 174.900 0.069 0.000 1.024 271 G CA 0.399 45.539 45.100 0.066 0.000 0.784 271 G HN 1.156 nan 8.290 nan 0.000 0.507 272 G N -3.331 105.519 108.800 0.084 0.000 2.157 272 G HA2 0.025 3.985 3.960 -0.000 0.000 0.248 272 G HA3 0.025 3.985 3.960 -0.000 0.000 0.248 272 G C 0.265 175.207 174.900 0.069 0.000 0.979 272 G CA 0.538 45.680 45.100 0.069 0.000 0.650 272 G HN 1.666 nan 8.290 nan 0.000 0.529 273 V N 1.297 121.264 119.914 0.088 0.000 2.540 273 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 273 V C 0.829 176.945 176.094 0.037 0.000 1.035 273 V CA -1.101 61.232 62.300 0.054 0.000 0.873 273 V CB 1.854 33.701 31.823 0.040 0.000 0.992 273 V HN 0.446 nan 8.190 nan 0.000 0.428 274 R N 5.345 125.844 120.500 -0.001 0.000 2.421 274 R HA 0.230 4.569 4.340 -0.000 0.000 0.305 274 R C -2.451 173.777 176.300 -0.120 0.000 1.039 274 R CA -1.051 55.015 56.100 -0.057 0.000 1.003 274 R CB 0.861 31.143 30.300 -0.029 0.000 0.959 274 R HN 0.417 nan 8.270 nan 0.000 0.427 275 P HA 0.034 nan 4.420 nan 0.000 0.271 275 P C -0.842 176.377 177.300 -0.134 0.000 1.220 275 P CA 0.040 62.990 63.100 -0.250 0.000 0.768 275 P CB 0.548 31.957 31.700 -0.485 0.000 0.848 276 E N 1.400 121.553 120.200 -0.078 0.000 2.442 276 E HA 0.215 4.565 4.350 -0.000 0.000 0.262 276 E C 1.211 177.791 176.600 -0.033 0.000 1.004 276 E CA 0.990 57.366 56.400 -0.041 0.000 0.928 276 E CB -0.039 29.647 29.700 -0.023 0.000 0.937 276 E HN 0.789 nan 8.360 nan 0.000 0.446 277 G N 3.022 111.817 108.800 -0.009 0.000 2.195 277 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 277 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 277 G C -0.005 174.918 174.900 0.038 0.000 0.984 277 G CA 0.102 45.213 45.100 0.019 0.000 0.633 277 G HN 0.430 nan 8.290 nan 0.000 0.525 278 K N -0.062 120.337 120.400 -0.001 0.000 2.316 278 K HA 0.699 5.019 4.320 -0.000 0.000 0.251 278 K C -0.362 176.241 176.600 0.006 0.000 0.934 278 K CA -0.946 55.346 56.287 0.009 0.000 0.802 278 K CB 2.198 34.661 32.500 -0.060 0.000 1.171 278 K HN 0.166 nan 8.250 nan 0.000 0.426 279 I N 3.018 123.607 120.570 0.032 0.000 2.331 279 I HA 0.121 4.291 4.170 -0.000 0.000 0.292 279 I C -0.275 175.856 176.117 0.022 0.000 0.998 279 I CA -0.962 60.348 61.300 0.017 0.000 1.267 279 I CB 0.869 38.871 38.000 0.005 0.000 1.386 279 I HN 0.311 nan 8.210 nan 0.000 0.476 280 L N 8.821 130.054 121.223 0.016 0.000 2.369 280 L HA 0.284 4.624 4.340 -0.000 0.000 0.279 280 L C -0.416 176.479 176.870 0.041 0.000 1.108 280 L CA 0.199 55.061 54.840 0.036 0.000 0.852 280 L CB 0.791 42.865 42.059 0.025 0.000 1.169 280 L HN 0.319 nan 8.230 nan 0.000 0.452 281 V N 7.384 127.342 119.914 0.074 0.000 2.333 281 V HA 0.426 4.546 4.120 -0.000 0.000 0.274 281 V C 0.156 176.335 176.094 0.142 0.000 1.028 281 V CA -0.421 61.910 62.300 0.052 0.000 0.851 281 V CB 0.460 32.300 31.823 0.029 0.000 1.000 281 V HN 1.015 nan 8.190 nan 0.000 0.456 282 N N 3.399 122.153 118.700 0.089 0.000 3.038 282 N HA 0.692 5.432 4.740 -0.000 0.000 0.307 282 N C -1.866 173.730 175.510 0.143 0.000 1.441 282 N CA -0.987 52.180 53.050 0.194 0.000 0.772 282 N CB 2.684 41.278 38.487 0.178 0.000 1.651 282 N HN 0.572 nan 8.380 nan 0.000 0.593 283 D N -0.639 119.913 120.400 0.252 0.000 2.756 283 D HA 0.386 5.026 4.640 -0.000 0.000 0.226 283 D C -1.123 175.318 176.300 0.234 0.000 1.186 283 D CA -0.616 53.545 54.000 0.268 0.000 0.845 283 D CB 2.439 43.477 40.800 0.397 0.000 1.610 283 D HN 0.359 nan 8.370 nan 0.000 0.465 284 R N 1.382 121.962 120.500 0.133 0.000 2.621 284 R HA 0.359 4.699 4.340 -0.000 0.000 0.284 284 R C -0.164 175.980 176.300 -0.261 0.000 0.998 284 R CA -0.898 55.188 56.100 -0.023 0.000 0.895 284 R CB 1.717 31.982 30.300 -0.058 0.000 1.195 284 R HN 0.530 nan 8.270 nan 0.000 0.450 285 I N 2.380 122.773 120.570 -0.294 0.000 2.775 285 I HA -0.100 4.070 4.170 -0.000 0.000 0.290 285 I C 1.827 177.780 176.117 -0.273 0.000 1.203 285 I CA 0.451 61.519 61.300 -0.386 0.000 1.433 285 I CB 0.196 38.065 38.000 -0.219 0.000 1.354 285 I HN 0.751 nan 8.210 nan 0.000 0.579 286 A N 6.124 128.779 122.820 -0.275 0.000 1.908 286 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 286 A C 1.797 179.296 177.584 -0.142 0.000 1.181 286 A CA 1.855 53.772 52.037 -0.199 0.000 0.627 286 A CB -0.524 18.363 19.000 -0.189 0.000 0.818 286 A HN 0.841 nan 8.150 nan 0.000 0.445 287 D N -0.304 120.025 120.400 -0.118 0.000 2.117 287 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 287 D C 1.680 177.926 176.300 -0.090 0.000 0.982 287 D CA 1.329 55.280 54.000 -0.082 0.000 0.828 287 D CB -1.149 39.615 40.800 -0.060 0.000 0.967 287 D HN 0.609 nan 8.370 nan 0.000 0.464 288 N N -0.259 118.381 118.700 -0.101 0.000 2.137 288 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 288 N C 1.869 177.298 175.510 -0.135 0.000 1.017 288 N CA 1.396 54.388 53.050 -0.098 0.000 0.859 288 N CB -0.147 38.290 38.487 -0.084 0.000 1.002 288 N HN 0.083 nan 8.380 nan 0.000 0.428 289 M N 1.102 120.598 119.600 -0.173 0.000 2.159 289 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 289 M C 1.852 178.012 176.300 -0.234 0.000 1.063 289 M CA 1.208 56.358 55.300 -0.249 0.000 1.110 289 M CB -0.250 32.210 32.600 -0.233 0.000 1.374 289 M HN 0.165 nan 8.290 nan 0.000 0.411 290 L N -0.551 120.579 121.223 -0.154 0.000 2.017 290 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 290 L C 2.527 179.322 176.870 -0.124 0.000 1.073 290 L CA 1.579 56.345 54.840 -0.122 0.000 0.745 290 L CB -0.767 41.246 42.059 -0.076 0.000 0.894 290 L HN 0.413 nan 8.230 nan 0.000 0.432 291 Q N -0.800 118.936 119.800 -0.108 0.000 2.084 291 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 291 Q C 2.280 178.224 176.000 -0.093 0.000 0.978 291 Q CA 1.150 56.903 55.803 -0.084 0.000 0.844 291 Q CB -0.097 28.605 28.738 -0.059 0.000 0.898 291 Q HN 0.500 nan 8.270 nan 0.000 0.426 292 Q N 0.458 120.174 119.800 -0.140 0.000 2.123 292 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 292 Q C 2.244 178.141 176.000 -0.171 0.000 0.966 292 Q CA 1.012 56.730 55.803 -0.143 0.000 0.845 292 Q CB -0.164 28.449 28.738 -0.209 0.000 0.907 292 Q HN 0.600 nan 8.270 nan 0.000 0.439 293 I N -2.996 117.434 120.570 -0.233 0.000 2.614 293 I HA -0.126 4.044 4.170 -0.000 0.000 0.258 293 I C 1.927 178.022 176.117 -0.036 0.000 1.189 293 I CA 0.980 62.196 61.300 -0.140 0.000 1.462 293 I CB -0.257 37.656 38.000 -0.145 0.000 1.092 293 I HN -0.042 nan 8.210 nan 0.000 0.442 294 I N 1.085 121.615 120.570 -0.067 0.000 2.400 294 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 294 I C 2.269 178.480 176.117 0.156 0.000 1.109 294 I CA 1.283 62.555 61.300 -0.048 0.000 1.425 294 I CB -0.251 37.674 38.000 -0.125 0.000 1.094 294 I HN 0.211 nan 8.210 nan 0.000 0.425 295 T N -0.192 114.386 114.554 0.040 0.000 2.976 295 T HA 0.101 4.451 4.350 -0.000 0.000 0.257 295 T C 1.078 175.660 174.700 -0.198 0.000 1.051 295 T CA 0.755 62.886 62.100 0.052 0.000 1.141 295 T CB 0.053 68.937 68.868 0.027 0.000 0.881 295 T HN 0.159 nan 8.240 nan 0.000 0.461 296 R N 0.819 121.053 120.500 -0.444 0.000 2.638 296 R HA 0.190 4.530 4.340 -0.000 0.000 0.269 296 R C -2.186 173.477 176.300 -1.062 0.000 1.393 296 R CA -1.170 54.231 56.100 -1.164 0.000 1.531 296 R CB 1.267 31.230 30.300 -0.561 0.000 1.327 296 R HN 0.176 nan 8.270 nan 0.000 0.709 297 P HA -0.172 nan 4.420 nan 0.000 0.220 297 P C 0.742 177.963 177.300 -0.132 0.000 1.148 297 P CA 1.033 64.015 63.100 -0.198 0.000 0.803 297 P CB 0.003 31.730 31.700 0.045 0.000 0.782 298 W N 0.059 121.380 121.300 0.034 0.000 2.611 298 W HA 0.039 4.699 4.660 -0.000 0.000 0.251 298 W C 1.029 177.498 176.519 -0.085 0.000 1.265 298 W CA 0.437 57.767 57.345 -0.026 0.000 1.295 298 W CB -1.741 27.674 29.460 -0.075 0.000 1.129 298 W HN -0.150 nan 8.180 nan 0.000 0.630 299 D N -0.641 119.514 120.400 -0.409 0.000 2.349 299 D HA -0.003 4.637 4.640 -0.000 0.000 0.224 299 D C -0.714 175.025 176.300 -0.935 0.000 1.029 299 D CA 0.552 54.176 54.000 -0.627 0.000 0.879 299 D CB -0.103 40.147 40.800 -0.918 0.000 0.906 299 D HN 0.134 nan 8.370 nan 0.000 0.528 300 Y N -0.282 119.987 120.300 -0.051 0.000 2.442 300 Y HA 0.341 4.891 4.550 -0.000 0.000 0.344 300 Y C 1.079 176.991 175.900 0.021 0.000 0.976 300 Y CA -0.707 57.381 58.100 -0.019 0.000 1.040 300 Y CB 1.920 40.353 38.460 -0.045 0.000 1.228 300 Y HN -0.314 nan 8.280 nan 0.000 0.451 301 Q N 0.681 120.580 119.800 0.164 0.000 2.164 301 Q HA 0.338 4.678 4.340 -0.000 0.000 0.165 301 Q C -0.788 175.296 176.000 0.139 0.000 0.570 301 Q CA -0.337 55.549 55.803 0.138 0.000 0.759 301 Q CB 0.573 29.378 28.738 0.112 0.000 1.059 301 Q HN 0.346 nan 8.270 nan 0.000 0.464 302 V N 3.095 123.079 119.914 0.117 0.000 2.432 302 V HA 0.273 4.393 4.120 -0.000 0.000 0.271 302 V C -0.329 175.813 176.094 0.080 0.000 1.046 302 V CA -0.003 62.350 62.300 0.088 0.000 0.945 302 V CB 0.799 32.640 31.823 0.029 0.000 0.992 302 V HN 0.251 nan 8.190 nan 0.000 0.471 303 I N 5.556 126.177 120.570 0.086 0.000 2.362 303 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 303 I C -0.494 175.679 176.117 0.093 0.000 0.994 303 I CA -0.683 60.658 61.300 0.069 0.000 1.158 303 I CB 1.904 39.924 38.000 0.033 0.000 1.315 303 I HN 0.261 nan 8.210 nan 0.000 0.451 304 V N 5.755 125.723 119.914 0.091 0.000 2.398 304 V HA 0.816 4.936 4.120 -0.000 0.000 0.286 304 V C 0.146 176.364 176.094 0.207 0.000 1.026 304 V CA -0.315 62.081 62.300 0.161 0.000 0.868 304 V CB 1.335 33.224 31.823 0.110 0.000 0.982 304 V HN 0.873 nan 8.190 nan 0.000 0.443 305 A N 6.976 129.906 122.820 0.183 0.000 2.572 305 A HA 0.976 5.296 4.320 -0.000 0.000 0.295 305 A C -3.110 174.317 177.584 -0.262 0.000 1.072 305 A CA -1.642 50.341 52.037 -0.090 0.000 0.691 305 A CB 2.217 21.145 19.000 -0.120 0.000 1.291 305 A HN 0.571 nan 8.150 nan 0.000 0.404 306 P HA 0.162 nan 4.420 nan 0.000 0.274 306 P C 0.724 177.816 177.300 -0.347 0.000 1.260 306 P CA -0.360 62.391 63.100 -0.582 0.000 0.793 306 P CB 0.588 31.832 31.700 -0.761 0.000 1.048 307 N N 0.071 118.597 118.700 -0.291 0.000 2.021 307 N HA -0.187 4.553 4.740 -0.000 0.000 0.198 307 N C 1.622 176.805 175.510 -0.546 0.000 1.041 307 N CA 1.597 54.447 53.050 -0.333 0.000 0.862 307 N CB -0.956 37.330 38.487 -0.336 0.000 1.048 307 N HN 0.335 nan 8.380 nan 0.000 0.427 308 L N 0.953 121.682 121.223 -0.823 0.000 2.027 308 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 308 L C 1.796 178.310 176.870 -0.593 0.000 1.074 308 L CA 1.370 55.665 54.840 -0.908 0.000 0.745 308 L CB -0.476 41.052 42.059 -0.885 0.000 0.898 308 L HN 0.137 nan 8.230 nan 0.000 0.433 309 N N 0.438 118.842 118.700 -0.494 0.000 2.149 309 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 309 N C 1.702 177.097 175.510 -0.191 0.000 1.019 309 N CA 1.499 54.340 53.050 -0.349 0.000 0.857 309 N CB -0.793 37.507 38.487 -0.311 0.000 0.997 309 N HN 0.546 nan 8.380 nan 0.000 0.426 310 G N 0.301 108.991 108.800 -0.183 0.000 2.402 310 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 310 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 310 G C 1.354 176.244 174.900 -0.016 0.000 1.162 310 G CA 0.958 46.006 45.100 -0.087 0.000 0.777 310 G HN 0.323 nan 8.290 nan 0.000 0.539 311 D N -0.702 119.707 120.400 0.015 0.000 2.097 311 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 311 D C 2.081 178.527 176.300 0.245 0.000 0.989 311 D CA 0.882 54.979 54.000 0.161 0.000 0.827 311 D CB -0.160 40.832 40.800 0.321 0.000 0.966 311 D HN 0.292 nan 8.370 nan 0.000 0.456 312 Y N -0.018 120.269 120.300 -0.023 0.000 2.184 312 Y HA 0.026 4.576 4.550 -0.000 0.000 0.290 312 Y C 2.315 178.187 175.900 -0.047 0.000 1.129 312 Y CA 0.322 58.404 58.100 -0.029 0.000 1.144 312 Y CB -0.921 37.512 38.460 -0.046 0.000 0.995 312 Y HN 0.064 nan 8.280 nan 0.000 0.513 313 I N -0.195 120.436 120.570 0.102 0.000 2.353 313 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 313 I C 2.516 178.635 176.117 0.005 0.000 1.119 313 I CA 1.529 62.838 61.300 0.016 0.000 1.417 313 I CB -0.496 37.485 38.000 -0.032 0.000 1.078 313 I HN 0.193 nan 8.210 nan 0.000 0.421 314 S N -0.448 115.261 115.700 0.015 0.000 2.368 314 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 314 S C 1.853 176.461 174.600 0.014 0.000 1.029 314 S CA 1.487 59.692 58.200 0.009 0.000 0.988 314 S CB -0.807 62.394 63.200 0.000 0.000 0.838 314 S HN 0.451 nan 8.310 nan 0.000 0.462 315 D N 2.336 122.748 120.400 0.021 0.000 2.104 315 D HA 0.059 4.699 4.640 -0.000 0.000 0.194 315 D C 2.264 178.556 176.300 -0.013 0.000 0.994 315 D CA 1.577 55.580 54.000 0.005 0.000 0.830 315 D CB -0.572 40.223 40.800 -0.007 0.000 0.959 315 D HN 0.545 nan 8.370 nan 0.000 0.452 316 A N 0.529 123.334 122.820 -0.025 0.000 1.902 316 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 316 A C 2.271 179.829 177.584 -0.044 0.000 1.181 316 A CA 2.122 54.129 52.037 -0.049 0.000 0.623 316 A CB -0.930 18.034 19.000 -0.061 0.000 0.818 316 A HN 0.239 nan 8.150 nan 0.000 0.443 317 A N -0.606 122.200 122.820 -0.023 0.000 1.908 317 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 317 A C 2.441 180.042 177.584 0.028 0.000 1.181 317 A CA 2.147 54.185 52.037 0.000 0.000 0.627 317 A CB -0.885 18.123 19.000 0.014 0.000 0.818 317 A HN 0.445 nan 8.150 nan 0.000 0.445 318 S N -0.400 115.320 115.700 0.033 0.000 2.382 318 S HA -0.003 4.467 4.470 -0.000 0.000 0.228 318 S C 2.263 176.893 174.600 0.051 0.000 1.027 318 S CA 1.065 59.300 58.200 0.057 0.000 0.991 318 S CB -0.391 62.842 63.200 0.056 0.000 0.823 318 S HN 0.794 nan 8.310 nan 0.000 0.469 319 A N 1.430 124.260 122.820 0.016 0.000 1.933 319 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 319 A C 2.071 179.653 177.584 -0.004 0.000 1.175 319 A CA 1.039 53.075 52.037 -0.001 0.000 0.628 319 A CB -0.678 18.303 19.000 -0.032 0.000 0.814 319 A HN 0.454 nan 8.150 nan 0.000 0.444 320 L N -0.060 121.152 121.223 -0.019 0.000 2.042 320 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 320 L C 2.318 179.234 176.870 0.077 0.000 1.076 320 L CA 1.657 56.486 54.840 -0.018 0.000 0.749 320 L CB -0.497 41.524 42.059 -0.063 0.000 0.893 320 L HN 0.458 nan 8.230 nan 0.000 0.432 321 V N -2.721 117.257 119.914 0.105 0.000 3.646 321 V HA 0.349 4.469 4.120 -0.000 0.000 0.277 321 V C 1.274 177.501 176.094 0.222 0.000 1.274 321 V CA 0.272 62.679 62.300 0.177 0.000 1.164 321 V CB -0.843 31.121 31.823 0.235 0.000 0.926 321 V HN 0.533 nan 8.190 nan 0.000 0.442 322 G N 0.316 109.192 108.800 0.126 0.000 2.283 322 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 322 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 322 G C 0.686 175.662 174.900 0.127 0.000 1.029 322 G CA 0.274 45.435 45.100 0.101 0.000 0.840 322 G HN 1.497 nan 8.290 nan 0.000 0.505 323 G N -0.908 107.972 108.800 0.133 0.000 3.805 323 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 323 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 323 G C 1.400 176.367 174.900 0.111 0.000 1.077 323 G CA 0.351 45.538 45.100 0.144 0.000 0.852 323 G HN 0.487 nan 8.290 nan 0.000 0.531 324 I N 1.109 121.729 120.570 0.084 0.000 2.118 324 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 324 I C 2.833 178.998 176.117 0.080 0.000 1.070 324 I CA 1.735 63.076 61.300 0.069 0.000 1.327 324 I CB 0.048 38.078 38.000 0.051 0.000 1.034 324 I HN 0.273 nan 8.210 nan 0.000 0.405 325 G N -0.443 108.397 108.800 0.067 0.000 2.650 325 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 325 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 325 G C 1.477 176.441 174.900 0.107 0.000 1.136 325 G CA 0.096 45.231 45.100 0.060 0.000 0.789 325 G HN 0.288 nan 8.290 nan 0.000 0.536 326 M N 0.703 120.368 119.600 0.108 0.000 2.371 326 M HA 0.354 4.834 4.480 -0.000 0.000 0.246 326 M C 1.183 177.563 176.300 0.134 0.000 1.103 326 M CA -0.335 55.035 55.300 0.116 0.000 1.010 326 M CB 0.850 33.515 32.600 0.109 0.000 1.457 326 M HN 0.134 nan 8.290 nan 0.000 0.486 327 A N 1.456 124.352 122.820 0.127 0.000 2.492 327 A HA 0.605 4.925 4.320 -0.000 0.000 0.254 327 A C 0.228 177.850 177.584 0.064 0.000 1.091 327 A CA -0.139 51.958 52.037 0.099 0.000 0.768 327 A CB -0.077 18.967 19.000 0.073 0.000 1.028 327 A HN 0.419 nan 8.150 nan 0.000 0.498 328 A N 2.201 125.057 122.820 0.058 0.000 2.311 328 A HA 0.922 5.242 4.320 -0.000 0.000 0.334 328 A C 0.406 177.982 177.584 -0.013 0.000 1.139 328 A CA 0.025 52.075 52.037 0.023 0.000 0.830 328 A CB 1.407 20.441 19.000 0.056 0.000 1.234 328 A HN 1.936 nan 8.150 nan 0.000 0.483 329 G N -0.807 107.965 108.800 -0.047 0.000 2.727 329 G HA2 0.650 4.610 3.960 -0.000 0.000 0.289 329 G HA3 0.650 4.610 3.960 -0.000 0.000 0.289 329 G C -1.221 173.615 174.900 -0.106 0.000 1.418 329 G CA -0.381 44.666 45.100 -0.089 0.000 0.818 329 G HN 1.124 nan 8.290 nan 0.000 0.486 330 M N 0.623 120.125 119.600 -0.163 0.000 2.333 330 M HA 0.357 4.837 4.480 -0.000 0.000 0.286 330 M C -2.086 174.063 176.300 -0.251 0.000 1.113 330 M CA -0.727 54.457 55.300 -0.193 0.000 0.959 330 M CB 1.996 34.474 32.600 -0.204 0.000 1.776 330 M HN 0.470 nan 8.290 nan 0.000 0.492 331 N N 5.286 123.847 118.700 -0.232 0.000 2.408 331 N HA 0.547 5.287 4.740 -0.000 0.000 0.280 331 N C -1.555 173.762 175.510 -0.321 0.000 1.002 331 N CA -0.327 52.573 53.050 -0.249 0.000 0.907 331 N CB 2.289 40.673 38.487 -0.171 0.000 1.161 331 N HN 0.721 nan 8.380 nan 0.000 0.488 332 M N 1.335 120.694 119.600 -0.402 0.000 2.393 332 M HA 0.485 4.965 4.480 -0.000 0.000 0.316 332 M C 0.003 175.928 176.300 -0.625 0.000 1.087 332 M CA -0.592 54.415 55.300 -0.489 0.000 0.937 332 M CB 1.865 34.163 32.600 -0.504 0.000 1.668 332 M HN 0.593 nan 8.290 nan 0.000 0.438 333 G N 1.735 110.235 108.800 -0.502 0.000 3.039 333 G HA2 0.250 4.210 3.960 -0.000 0.000 0.159 333 G HA3 0.250 4.210 3.960 -0.000 0.000 0.159 333 G C 0.018 174.769 174.900 -0.247 0.000 1.284 333 G CA -0.123 44.669 45.100 -0.514 0.000 0.996 333 G HN 0.696 nan 8.290 nan 0.000 0.592 334 D N -0.075 120.342 120.400 0.028 0.000 2.085 334 D HA -0.010 4.630 4.640 -0.000 0.000 0.199 334 D C 2.077 178.194 176.300 -0.305 0.000 0.981 334 D CA 1.548 55.603 54.000 0.093 0.000 0.834 334 D CB -0.122 40.825 40.800 0.246 0.000 0.992 334 D HN 0.397 nan 8.370 nan 0.000 0.457 335 G N -0.009 108.410 108.800 -0.634 0.000 3.690 335 G HA2 0.389 4.349 3.960 -0.000 0.000 0.283 335 G HA3 0.389 4.349 3.960 -0.000 0.000 0.283 335 G C 0.103 174.791 174.900 -0.354 0.000 1.057 335 G CA -0.156 44.183 45.100 -1.268 0.000 0.821 335 G HN 0.177 nan 8.290 nan 0.000 0.526 336 I N -0.108 120.381 120.570 -0.135 0.000 2.722 336 I HA 0.758 4.928 4.170 -0.000 0.000 0.295 336 I C -1.366 174.648 176.117 -0.171 0.000 1.161 336 I CA -0.996 60.273 61.300 -0.053 0.000 1.032 336 I CB 2.280 40.239 38.000 -0.069 0.000 1.244 336 I HN 0.059 nan 8.210 nan 0.000 0.421 337 A N 5.881 128.593 122.820 -0.180 0.000 2.549 337 A HA 0.826 5.146 4.320 -0.000 0.000 0.297 337 A C -1.967 175.507 177.584 -0.184 0.000 1.061 337 A CA -0.530 51.279 52.037 -0.379 0.000 0.690 337 A CB 2.032 20.449 19.000 -0.972 0.000 1.287 337 A HN 0.447 nan 8.150 nan 0.000 0.402 338 V N 1.338 121.142 119.914 -0.184 0.000 2.447 338 V HA 0.661 4.781 4.120 -0.000 0.000 0.292 338 V C 0.363 176.394 176.094 -0.105 0.000 1.021 338 V CA -0.253 61.988 62.300 -0.099 0.000 0.850 338 V CB 1.247 33.022 31.823 -0.080 0.000 1.005 338 V HN 1.408 nan 8.190 nan 0.000 0.426 339 A N 4.960 127.748 122.820 -0.054 0.000 2.310 339 A HA 0.930 5.250 4.320 -0.000 0.000 0.299 339 A C -0.129 177.436 177.584 -0.033 0.000 1.147 339 A CA -0.370 51.640 52.037 -0.045 0.000 0.818 339 A CB 0.684 19.687 19.000 0.005 0.000 1.096 339 A HN 1.002 nan 8.150 nan 0.000 0.495 340 E N 1.761 121.927 120.200 -0.057 0.000 2.388 340 E HA 0.507 4.857 4.350 -0.000 0.000 0.280 340 E C -3.174 173.360 176.600 -0.110 0.000 1.019 340 E CA -2.162 54.194 56.400 -0.074 0.000 0.806 340 E CB 1.596 31.248 29.700 -0.080 0.000 1.246 340 E HN 0.361 nan 8.360 nan 0.000 0.443 341 P HA -0.034 nan 4.420 nan 0.000 0.272 341 P C 0.770 177.900 177.300 -0.283 0.000 1.230 341 P CA -0.421 62.508 63.100 -0.285 0.000 0.788 341 P CB 1.048 32.352 31.700 -0.659 0.000 0.949 342 V N 0.696 120.495 119.914 -0.192 0.000 2.427 342 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 342 V C 1.385 177.428 176.094 -0.085 0.000 1.051 342 V CA 1.716 63.958 62.300 -0.097 0.000 1.048 342 V CB -1.887 29.927 31.823 -0.015 0.000 0.666 342 V HN 0.735 nan 8.190 nan 0.000 0.456 343 H N -0.292 118.785 119.070 0.011 0.000 2.745 343 H HA 0.532 5.088 4.556 -0.000 0.000 0.373 343 H C 0.643 175.979 175.328 0.013 0.000 1.226 343 H CA -0.002 56.054 56.048 0.014 0.000 1.435 343 H CB 0.099 29.872 29.762 0.018 0.000 1.461 343 H HN 0.124 nan 8.280 nan 0.000 0.616 344 G N -0.837 108.096 108.800 0.222 0.000 2.531 344 G HA2 0.204 4.164 3.960 -0.000 0.000 0.253 344 G HA3 0.204 4.164 3.960 -0.000 0.000 0.253 344 G C 0.928 175.955 174.900 0.212 0.000 1.439 344 G CA -0.183 45.005 45.100 0.146 0.000 1.056 344 G HN 0.935 nan 8.290 nan 0.000 0.555 345 T N -2.744 111.880 114.554 0.117 0.000 3.055 345 T HA 0.304 4.654 4.350 -0.000 0.000 0.265 345 T C 1.453 176.206 174.700 0.088 0.000 1.111 345 T CA 1.252 63.412 62.100 0.100 0.000 1.118 345 T CB -0.444 68.455 68.868 0.053 0.000 0.909 345 T HN 2.057 nan 8.240 nan 0.000 0.501 346 A N 2.579 125.450 122.820 0.085 0.000 1.978 346 A HA -0.047 4.273 4.320 -0.000 0.000 0.260 346 A C -1.023 176.580 177.584 0.031 0.000 1.340 346 A CA 0.343 52.428 52.037 0.080 0.000 0.740 346 A CB -1.556 17.532 19.000 0.146 0.000 1.189 346 A HN 0.495 nan 8.150 nan 0.000 0.299 347 P HA -0.026 nan 4.420 nan 0.000 0.242 347 P C 1.032 178.266 177.300 -0.109 0.000 1.197 347 P CA 0.984 64.052 63.100 -0.053 0.000 0.765 347 P CB 0.205 31.872 31.700 -0.054 0.000 0.936 348 K N -1.938 118.340 120.400 -0.202 0.000 2.367 348 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 348 K C 0.671 176.964 176.600 -0.511 0.000 1.027 348 K CA 0.622 56.678 56.287 -0.385 0.000 1.075 348 K CB 0.231 32.413 32.500 -0.531 0.000 0.845 348 K HN 0.319 nan 8.250 nan 0.000 0.529 349 Y N 0.113 120.385 120.300 -0.046 0.000 2.453 349 Y HA 0.301 4.851 4.550 -0.000 0.000 0.247 349 Y C 0.693 176.567 175.900 -0.043 0.000 1.124 349 Y CA -0.708 57.362 58.100 -0.049 0.000 1.243 349 Y CB 0.778 39.199 38.460 -0.064 0.000 1.213 349 Y HN -0.141 nan 8.280 nan 0.000 0.523 350 A N 0.800 123.658 122.820 0.064 0.000 2.454 350 A HA 0.462 4.782 4.320 -0.000 0.000 0.260 350 A C 1.481 179.069 177.584 0.007 0.000 1.106 350 A CA 0.646 52.701 52.037 0.030 0.000 0.780 350 A CB -0.712 18.288 19.000 -0.001 0.000 1.044 350 A HN 0.876 nan 8.150 nan 0.000 0.498 351 G N 2.085 110.892 108.800 0.011 0.000 2.153 351 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 351 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 351 G C 0.734 175.640 174.900 0.009 0.000 0.994 351 G CA 0.875 45.977 45.100 0.003 0.000 0.698 351 G HN 0.775 nan 8.290 nan 0.000 0.521 352 K N -0.491 119.926 120.400 0.028 0.000 2.367 352 K HA 0.152 4.472 4.320 -0.000 0.000 0.195 352 K C 1.026 177.646 176.600 0.034 0.000 1.060 352 K CA 0.258 56.568 56.287 0.038 0.000 1.022 352 K CB 0.324 32.871 32.500 0.079 0.000 0.894 352 K HN 0.164 nan 8.250 nan 0.000 0.540 353 D N 0.353 120.770 120.400 0.027 0.000 2.772 353 D HA -0.181 4.459 4.640 -0.000 0.000 0.233 353 D C 0.147 176.449 176.300 0.003 0.000 1.143 353 D CA 0.528 54.535 54.000 0.012 0.000 0.700 353 D CB -1.065 39.739 40.800 0.006 0.000 1.076 353 D HN 0.218 nan 8.370 nan 0.000 0.430 354 L N -0.581 120.645 121.223 0.005 0.000 2.653 354 L HA 0.301 4.641 4.340 -0.000 0.000 0.230 354 L C 1.489 178.273 176.870 -0.144 0.000 1.055 354 L CA -0.379 54.437 54.840 -0.041 0.000 0.880 354 L CB 0.210 42.285 42.059 0.028 0.000 1.195 354 L HN 0.188 nan 8.230 nan 0.000 0.492 355 I N 1.370 121.856 120.570 -0.140 0.000 2.892 355 I HA -0.093 4.077 4.170 -0.000 0.000 0.287 355 I C 0.112 176.127 176.117 -0.170 0.000 1.205 355 I CA 0.346 61.504 61.300 -0.236 0.000 1.409 355 I CB 0.615 38.527 38.000 -0.147 0.000 1.367 355 I HN 0.189 nan 8.210 nan 0.000 0.597 356 N N 8.327 126.901 118.700 -0.210 0.000 2.430 356 N HA 0.209 4.949 4.740 -0.000 0.000 0.265 356 N C -1.867 173.629 175.510 -0.023 0.000 1.100 356 N CA -1.752 51.224 53.050 -0.124 0.000 0.961 356 N CB 1.131 39.520 38.487 -0.164 0.000 1.075 356 N HN 0.336 nan 8.380 nan 0.000 0.478 357 P HA 0.091 nan 4.420 nan 0.000 0.255 357 P C 0.742 178.117 177.300 0.126 0.000 1.248 357 P CA 0.143 63.305 63.100 0.104 0.000 0.807 357 P CB 0.498 32.252 31.700 0.090 0.000 1.150 358 S N 1.222 117.019 115.700 0.162 0.000 2.365 358 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 358 S C 2.171 176.814 174.600 0.073 0.000 1.039 358 S CA 1.712 59.987 58.200 0.126 0.000 1.033 358 S CB -0.912 62.346 63.200 0.097 0.000 0.887 358 S HN 0.274 nan 8.310 nan 0.000 0.447 359 A N 1.122 124.010 122.820 0.114 0.000 1.917 359 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 359 A C 2.059 179.686 177.584 0.072 0.000 1.182 359 A CA 2.095 54.203 52.037 0.118 0.000 0.633 359 A CB -0.663 18.472 19.000 0.225 0.000 0.819 359 A HN 0.490 nan 8.150 nan 0.000 0.448 360 E N -0.181 120.074 120.200 0.091 0.000 2.152 360 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 360 E C 1.666 178.282 176.600 0.028 0.000 0.983 360 E CA 0.997 57.423 56.400 0.043 0.000 0.818 360 E CB -0.305 29.427 29.700 0.053 0.000 0.758 360 E HN 0.659 nan 8.360 nan 0.000 0.467 361 I N -0.200 120.387 120.570 0.027 0.000 2.286 361 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 361 I C 1.711 177.851 176.117 0.038 0.000 1.104 361 I CA 0.363 61.672 61.300 0.014 0.000 1.397 361 I CB -0.121 37.869 38.000 -0.017 0.000 1.072 361 I HN 0.187 nan 8.210 nan 0.000 0.417 362 L N 0.166 121.411 121.223 0.036 0.000 2.141 362 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 362 L C 2.641 179.563 176.870 0.087 0.000 1.094 362 L CA 1.582 56.458 54.840 0.061 0.000 0.763 362 L CB -1.267 40.824 42.059 0.053 0.000 0.908 362 L HN 0.154 nan 8.230 nan 0.000 0.437 363 S N -0.172 115.566 115.700 0.063 0.000 2.356 363 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 363 S C 2.155 176.807 174.600 0.088 0.000 1.032 363 S CA 1.178 59.411 58.200 0.056 0.000 1.005 363 S CB -0.260 62.951 63.200 0.018 0.000 0.867 363 S HN 0.525 nan 8.310 nan 0.000 0.449 364 A N 1.347 124.226 122.820 0.098 0.000 1.908 364 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 364 A C 2.353 180.036 177.584 0.165 0.000 1.181 364 A CA 2.127 54.255 52.037 0.151 0.000 0.627 364 A CB -1.006 18.083 19.000 0.149 0.000 0.818 364 A HN 0.578 nan 8.150 nan 0.000 0.445 365 S N -0.675 115.113 115.700 0.147 0.000 2.406 365 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 365 S C 1.984 176.695 174.600 0.185 0.000 1.020 365 S CA 1.096 59.395 58.200 0.165 0.000 0.965 365 S CB -0.478 62.812 63.200 0.149 0.000 0.798 365 S HN 0.492 nan 8.310 nan 0.000 0.488 366 L N 0.277 121.608 121.223 0.180 0.000 1.989 366 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 366 L C 2.609 179.620 176.870 0.236 0.000 1.071 366 L CA 1.967 56.937 54.840 0.218 0.000 0.749 366 L CB -0.532 41.626 42.059 0.165 0.000 0.890 366 L HN 0.443 nan 8.230 nan 0.000 0.431 367 L N 0.052 121.386 121.223 0.184 0.000 1.989 367 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 367 L C 2.248 179.237 176.870 0.199 0.000 1.071 367 L CA 1.976 56.943 54.840 0.211 0.000 0.749 367 L CB -0.303 41.847 42.059 0.152 0.000 0.890 367 L HN 0.190 nan 8.230 nan 0.000 0.431 368 I N -1.148 119.490 120.570 0.114 0.000 2.333 368 I HA -0.077 4.093 4.170 -0.000 0.000 0.246 368 I C 2.331 178.481 176.117 0.056 0.000 1.106 368 I CA 1.151 62.434 61.300 -0.027 0.000 1.411 368 I CB -0.807 37.186 38.000 -0.012 0.000 1.082 368 I HN 0.353 nan 8.210 nan 0.000 0.420 369 G N -0.330 108.577 108.800 0.178 0.000 2.492 369 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.214 369 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.214 369 G C 1.435 176.434 174.900 0.165 0.000 1.147 369 G CA 0.146 45.379 45.100 0.220 0.000 0.809 369 G HN 0.332 nan 8.290 nan 0.000 0.533 370 E N -1.389 118.924 120.200 0.189 0.000 2.498 370 E HA 0.256 4.606 4.350 -0.000 0.000 0.203 370 E C 0.795 177.519 176.600 0.208 0.000 1.013 370 E CA -0.279 56.211 56.400 0.150 0.000 0.927 370 E CB 0.373 30.276 29.700 0.339 0.000 1.012 370 E HN 0.438 nan 8.360 nan 0.000 0.482 371 F N -0.816 119.180 119.950 0.076 0.000 2.835 371 F HA 0.281 4.808 4.527 -0.000 0.000 0.341 371 F C 1.359 177.168 175.800 0.016 0.000 0.940 371 F CA 0.147 58.197 58.000 0.085 0.000 1.125 371 F CB 0.443 39.531 39.000 0.146 0.000 0.974 371 F HN -0.134 nan 8.300 nan 0.000 0.601 372 M N -0.277 119.192 119.600 -0.217 0.000 2.435 372 M HA 0.309 4.789 4.480 -0.000 0.000 0.265 372 M C 1.627 177.836 176.300 -0.152 0.000 1.104 372 M CA 1.305 56.393 55.300 -0.355 0.000 1.140 372 M CB 0.150 32.475 32.600 -0.458 0.000 1.372 372 M HN 0.375 nan 8.290 nan 0.000 0.456 373 G N -1.040 107.758 108.800 -0.002 0.000 2.192 373 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.193 373 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.193 373 G C -0.407 174.679 174.900 0.309 0.000 0.999 373 G CA -0.651 44.517 45.100 0.113 0.000 0.659 373 G HN 0.390 nan 8.290 nan 0.000 0.503 374 W N 3.819 125.145 121.300 0.044 0.000 1.435 374 W HA 0.455 5.115 4.660 0.000 0.000 0.471 374 W C 1.666 178.271 176.519 0.145 0.000 0.590 374 W CA -0.855 56.578 57.345 0.146 0.000 2.419 374 W CB -0.648 28.922 29.460 0.184 0.000 1.251 374 W HN 0.207 nan 8.180 nan 0.000 0.338 375 R N 0.161 120.817 120.500 0.261 0.000 2.154 375 R HA -0.235 4.105 4.340 -0.000 0.000 0.248 375 R C 1.207 177.579 176.300 0.119 0.000 1.155 375 R CA 1.696 57.885 56.100 0.149 0.000 0.979 375 R CB -0.207 30.140 30.300 0.079 0.000 0.869 375 R HN 0.312 nan 8.270 nan 0.000 0.452 376 E N 0.089 120.344 120.200 0.092 0.000 2.204 376 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 376 E C 2.025 178.605 176.600 -0.033 0.000 0.989 376 E CA 0.728 57.102 56.400 -0.044 0.000 0.824 376 E CB -0.019 29.536 29.700 -0.243 0.000 0.756 376 E HN 0.082 nan 8.360 nan 0.000 0.477 377 V N 1.330 121.297 119.914 0.089 0.000 2.358 377 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 377 V C 2.319 178.498 176.094 0.142 0.000 1.047 377 V CA 1.670 64.056 62.300 0.143 0.000 1.035 377 V CB -0.473 31.540 31.823 0.317 0.000 0.658 377 V HN 0.223 nan 8.190 nan 0.000 0.452 378 K N 0.412 120.909 120.400 0.161 0.000 2.057 378 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 378 K C 2.359 179.045 176.600 0.142 0.000 1.049 378 K CA 1.860 58.243 56.287 0.160 0.000 0.931 378 K CB -0.244 32.358 32.500 0.171 0.000 0.714 378 K HN 0.444 nan 8.250 nan 0.000 0.440 379 S N 1.253 117.018 115.700 0.108 0.000 2.365 379 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 379 S C 1.913 176.580 174.600 0.111 0.000 1.039 379 S CA 1.566 59.821 58.200 0.092 0.000 1.033 379 S CB -0.198 63.023 63.200 0.034 0.000 0.887 379 S HN 0.382 nan 8.310 nan 0.000 0.447 380 I N 0.692 121.310 120.570 0.079 0.000 2.277 380 I HA -0.082 4.088 4.170 -0.000 0.000 0.243 380 I C 2.003 178.239 176.117 0.198 0.000 1.094 380 I CA 0.751 62.115 61.300 0.106 0.000 1.393 380 I CB -0.121 37.887 38.000 0.014 0.000 1.078 380 I HN 0.054 nan 8.210 nan 0.000 0.417 381 V N 0.982 120.979 119.914 0.138 0.000 2.380 381 V HA -0.327 3.792 4.120 -0.000 0.000 0.251 381 V C 2.291 178.444 176.094 0.100 0.000 1.063 381 V CA 2.220 64.586 62.300 0.110 0.000 1.055 381 V CB -0.743 31.137 31.823 0.095 0.000 0.657 381 V HN 0.479 nan 8.190 nan 0.000 0.455 382 E N -1.324 118.965 120.200 0.149 0.000 2.158 382 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 382 E C 2.039 178.756 176.600 0.195 0.000 0.982 382 E CA 1.137 57.644 56.400 0.179 0.000 0.823 382 E CB -0.156 29.724 29.700 0.299 0.000 0.766 382 E HN 0.818 nan 8.360 nan 0.000 0.468 383 Y N 1.425 121.770 120.300 0.076 0.000 2.181 383 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 383 Y C 2.179 178.089 175.900 0.016 0.000 1.146 383 Y CA 1.587 59.712 58.100 0.041 0.000 1.164 383 Y CB -0.299 38.173 38.460 0.021 0.000 0.982 383 Y HN -0.034 nan 8.280 nan 0.000 0.515 384 A N 0.804 123.628 122.820 0.007 0.000 1.873 384 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 384 A C 2.266 179.840 177.584 -0.017 0.000 1.186 384 A CA 1.907 53.926 52.037 -0.030 0.000 0.616 384 A CB -1.155 17.943 19.000 0.163 0.000 0.823 384 A HN 0.587 nan 8.150 nan 0.000 0.442 385 I N -1.107 119.454 120.570 -0.015 0.000 2.361 385 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 385 I C 2.774 178.888 176.117 -0.004 0.000 1.133 385 I CA 1.351 62.648 61.300 -0.006 0.000 1.413 385 I CB -0.303 37.584 38.000 -0.189 0.000 1.073 385 I HN 0.275 nan 8.210 nan 0.000 0.424 386 R N 0.730 121.213 120.500 -0.028 0.000 2.073 386 R HA -0.162 4.178 4.340 -0.000 0.000 0.229 386 R C 2.317 178.524 176.300 -0.156 0.000 1.120 386 R CA 1.207 57.290 56.100 -0.028 0.000 0.967 386 R CB -0.119 30.185 30.300 0.007 0.000 0.862 386 R HN 0.092 nan 8.270 nan 0.000 0.436 387 K N 0.396 120.589 120.400 -0.346 0.000 2.147 387 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 387 K C 1.779 178.206 176.600 -0.289 0.000 1.049 387 K CA 1.391 57.345 56.287 -0.555 0.000 0.936 387 K CB -0.066 31.713 32.500 -1.202 0.000 0.722 387 K HN 0.167 nan 8.250 nan 0.000 0.446 388 A N -0.037 122.796 122.820 0.023 0.000 1.898 388 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 388 A C 2.207 179.864 177.584 0.122 0.000 1.181 388 A CA 1.667 53.880 52.037 0.293 0.000 0.620 388 A CB -0.563 18.722 19.000 0.476 0.000 0.819 388 A HN 0.133 nan 8.150 nan 0.000 0.442 389 V N -0.382 119.556 119.914 0.040 0.000 2.453 389 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 389 V C 2.663 178.745 176.094 -0.021 0.000 1.048 389 V CA 2.164 64.461 62.300 -0.005 0.000 1.049 389 V CB -0.763 31.047 31.823 -0.022 0.000 0.672 389 V HN 0.722 nan 8.190 nan 0.000 0.457 390 Q N 1.174 120.944 119.800 -0.050 0.000 2.096 390 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 390 Q C 1.933 177.915 176.000 -0.031 0.000 0.982 390 Q CA 2.152 57.922 55.803 -0.056 0.000 0.850 390 Q CB -0.138 28.539 28.738 -0.102 0.000 0.901 390 Q HN 0.748 nan 8.270 nan 0.000 0.422 391 S N -0.720 114.970 115.700 -0.017 0.000 2.582 391 S HA 0.212 4.682 4.470 -0.000 0.000 0.234 391 S C -0.330 174.293 174.600 0.038 0.000 0.961 391 S CA -0.242 57.970 58.200 0.019 0.000 0.953 391 S CB 0.246 63.475 63.200 0.049 0.000 0.800 391 S HN 0.318 nan 8.310 nan 0.000 0.471 392 K N 1.004 121.419 120.400 0.025 0.000 3.077 392 K HA -0.171 4.149 4.320 -0.000 0.000 0.264 392 K C -0.984 175.628 176.600 0.019 0.000 1.008 392 K CA 0.768 57.064 56.287 0.014 0.000 0.740 392 K CB -1.882 30.623 32.500 0.008 0.000 1.273 392 K HN 0.533 nan 8.250 nan 0.000 0.477 393 K N 1.323 121.754 120.400 0.052 0.000 2.432 393 K HA 0.338 4.658 4.320 -0.000 0.000 0.226 393 K C -0.114 176.501 176.600 0.025 0.000 1.057 393 K CA -0.365 55.957 56.287 0.059 0.000 1.034 393 K CB 1.005 33.576 32.500 0.119 0.000 1.561 393 K HN 0.055 nan 8.250 nan 0.000 0.492 394 V N -1.364 118.484 119.914 -0.110 0.000 3.165 394 V HA 0.377 4.497 4.120 -0.000 0.000 0.309 394 V C 0.404 176.311 176.094 -0.311 0.000 1.267 394 V CA -1.279 60.802 62.300 -0.365 0.000 1.067 394 V CB 1.521 33.102 31.823 -0.404 0.000 1.082 394 V HN 0.566 nan 8.190 nan 0.000 0.451 395 T N -1.216 113.078 114.554 -0.433 0.000 2.766 395 T HA 0.106 4.456 4.350 -0.000 0.000 0.295 395 T C 0.950 175.518 174.700 -0.221 0.000 1.024 395 T CA 0.645 62.575 62.100 -0.283 0.000 1.018 395 T CB 0.996 69.684 68.868 -0.301 0.000 1.002 395 T HN 0.776 nan 8.240 nan 0.000 0.532 396 Q N 0.166 119.851 119.800 -0.191 0.000 2.135 396 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 396 Q C 1.889 177.766 176.000 -0.205 0.000 0.981 396 Q CA 2.408 58.108 55.803 -0.172 0.000 0.856 396 Q CB -0.341 28.308 28.738 -0.148 0.000 0.902 396 Q HN 0.925 nan 8.270 nan 0.000 0.425 397 D N -0.253 120.003 120.400 -0.240 0.000 2.182 397 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 397 D C 1.843 178.037 176.300 -0.176 0.000 0.986 397 D CA 1.028 54.892 54.000 -0.228 0.000 0.847 397 D CB -0.429 40.234 40.800 -0.229 0.000 0.942 397 D HN 0.344 nan 8.370 nan 0.000 0.467 398 L N 0.203 121.340 121.223 -0.144 0.000 2.221 398 L HA 0.154 4.494 4.340 -0.000 0.000 0.202 398 L C 2.866 179.696 176.870 -0.067 0.000 1.074 398 L CA 0.708 55.512 54.840 -0.061 0.000 0.795 398 L CB -0.341 41.669 42.059 -0.082 0.000 0.960 398 L HN 0.005 nan 8.230 nan 0.000 0.458 399 A N 0.941 123.694 122.820 -0.111 0.000 2.024 399 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 399 A C 2.311 179.843 177.584 -0.087 0.000 1.164 399 A CA 1.574 53.560 52.037 -0.085 0.000 0.643 399 A CB -0.626 18.319 19.000 -0.092 0.000 0.806 399 A HN 0.488 nan 8.150 nan 0.000 0.451 400 R N -0.828 119.576 120.500 -0.160 0.000 2.237 400 R HA -0.121 4.219 4.340 -0.000 0.000 0.219 400 R C 0.905 177.104 176.300 -0.168 0.000 1.080 400 R CA 1.901 57.883 56.100 -0.197 0.000 0.995 400 R CB -0.655 29.472 30.300 -0.288 0.000 0.875 400 R HN 0.712 nan 8.270 nan 0.000 0.462 401 H N -0.254 118.802 119.070 -0.024 0.000 2.586 401 H HA 0.310 4.866 4.556 -0.000 0.000 0.273 401 H C -0.022 175.302 175.328 -0.007 0.000 0.997 401 H CA -0.308 55.733 56.048 -0.012 0.000 1.177 401 H CB 0.402 30.160 29.762 -0.007 0.000 1.471 401 H HN 0.078 nan 8.280 nan 0.000 0.538 402 M N 1.346 120.996 119.600 0.083 0.000 2.243 402 M HA 0.328 4.808 4.480 -0.000 0.000 0.324 402 M C -2.621 173.695 176.300 0.025 0.000 1.031 402 M CA -2.283 53.046 55.300 0.048 0.000 0.949 402 M CB 2.008 34.626 32.600 0.030 0.000 1.615 402 M HN -0.213 nan 8.290 nan 0.000 0.430 403 P HA 0.132 nan 4.420 nan 0.000 0.266 403 P C 0.850 178.155 177.300 0.008 0.000 1.215 403 P CA 0.726 63.835 63.100 0.015 0.000 0.763 403 P CB 0.431 32.140 31.700 0.016 0.000 0.806 404 G N 1.921 110.722 108.800 0.002 0.000 2.168 404 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.257 404 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.257 404 G C 0.088 174.985 174.900 -0.004 0.000 0.997 404 G CA -0.174 44.926 45.100 -0.001 0.000 0.708 404 G HN 0.515 nan 8.290 nan 0.000 0.520 405 V N 0.867 120.777 119.914 -0.007 0.000 2.432 405 V HA 0.428 4.548 4.120 -0.000 0.000 0.275 405 V C 0.748 176.830 176.094 -0.021 0.000 1.043 405 V CA -0.118 62.175 62.300 -0.011 0.000 0.925 405 V CB 1.736 33.552 31.823 -0.012 0.000 0.985 405 V HN 0.583 nan 8.190 nan 0.000 0.466 406 Q N 7.084 126.873 119.800 -0.018 0.000 2.296 406 Q HA 0.291 4.631 4.340 -0.000 0.000 0.262 406 Q C -2.428 173.551 176.000 -0.034 0.000 0.981 406 Q CA -1.353 54.436 55.803 -0.023 0.000 0.905 406 Q CB 1.122 29.850 28.738 -0.016 0.000 1.186 406 Q HN 0.493 nan 8.270 nan 0.000 0.399 407 P HA 0.001 nan 4.420 nan 0.000 0.268 407 P C -1.265 176.004 177.300 -0.051 0.000 1.204 407 P CA -0.164 62.898 63.100 -0.063 0.000 0.768 407 P CB 0.461 32.120 31.700 -0.068 0.000 0.842 408 L N 4.126 125.312 121.223 -0.061 0.000 2.289 408 L HA 0.328 4.668 4.340 -0.000 0.000 0.285 408 L C 0.884 177.732 176.870 -0.037 0.000 1.049 408 L CA -0.290 54.529 54.840 -0.034 0.000 0.804 408 L CB 0.634 42.686 42.059 -0.011 0.000 1.195 408 L HN 0.304 nan 8.230 nan 0.000 0.428 409 R N 1.660 122.152 120.500 -0.013 0.000 2.840 409 R HA 0.129 4.469 4.340 -0.000 0.000 0.282 409 R C 1.063 177.375 176.300 0.020 0.000 1.133 409 R CA 0.321 56.415 56.100 -0.009 0.000 1.208 409 R CB 0.081 30.379 30.300 -0.004 0.000 1.160 409 R HN 0.714 nan 8.270 nan 0.000 0.576 410 T N -0.014 114.550 114.554 0.017 0.000 2.701 410 T HA -0.170 4.180 4.350 -0.000 0.000 0.263 410 T C 1.903 176.635 174.700 0.054 0.000 1.040 410 T CA 1.863 63.992 62.100 0.049 0.000 1.147 410 T CB -0.276 68.604 68.868 0.019 0.000 0.865 410 T HN 0.732 nan 8.240 nan 0.000 0.426 411 S N 1.323 117.034 115.700 0.018 0.000 2.447 411 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 411 S C 1.836 176.433 174.600 -0.006 0.000 1.006 411 S CA 0.935 59.133 58.200 -0.003 0.000 0.957 411 S CB -0.287 62.907 63.200 -0.011 0.000 0.773 411 S HN 0.506 nan 8.310 nan 0.000 0.507 412 E N 0.065 120.275 120.200 0.016 0.000 2.051 412 E HA -0.015 4.335 4.350 -0.000 0.000 0.189 412 E C 1.795 178.417 176.600 0.037 0.000 0.979 412 E CA 0.883 57.290 56.400 0.012 0.000 0.803 412 E CB -0.322 29.387 29.700 0.015 0.000 0.761 412 E HN 0.606 nan 8.360 nan 0.000 0.451 413 Y N 1.689 121.949 120.300 -0.068 0.000 2.207 413 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 413 Y C 2.155 178.010 175.900 -0.076 0.000 1.156 413 Y CA 1.846 59.903 58.100 -0.072 0.000 1.182 413 Y CB -0.677 37.746 38.460 -0.061 0.000 0.979 413 Y HN -0.005 nan 8.280 nan 0.000 0.521 414 T N 0.042 114.492 114.554 -0.173 0.000 2.622 414 T HA -0.266 4.084 4.350 -0.000 0.000 0.266 414 T C 1.783 176.358 174.700 -0.209 0.000 1.047 414 T CA 1.830 63.787 62.100 -0.238 0.000 1.159 414 T CB -0.408 68.383 68.868 -0.127 0.000 0.863 414 T HN 0.493 nan 8.240 nan 0.000 0.422 415 E N 0.160 120.276 120.200 -0.141 0.000 2.153 415 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 415 E C 2.178 178.665 176.600 -0.188 0.000 0.988 415 E CA 1.144 57.466 56.400 -0.130 0.000 0.811 415 E CB -0.078 29.569 29.700 -0.089 0.000 0.746 415 E HN 0.360 nan 8.360 nan 0.000 0.466 416 T N 1.069 115.491 114.554 -0.220 0.000 2.720 416 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 416 T C 1.769 176.164 174.700 -0.508 0.000 1.037 416 T CA 1.005 62.890 62.100 -0.359 0.000 1.144 416 T CB -0.075 68.666 68.868 -0.212 0.000 0.864 416 T HN 0.162 nan 8.240 nan 0.000 0.444 417 L N -0.117 120.886 121.223 -0.366 0.000 2.095 417 L HA 0.063 4.403 4.340 -0.000 0.000 0.204 417 L C 2.394 179.188 176.870 -0.125 0.000 1.080 417 L CA 0.920 55.605 54.840 -0.259 0.000 0.759 417 L CB -0.415 41.416 42.059 -0.381 0.000 0.914 417 L HN 0.242 nan 8.230 nan 0.000 0.439 418 I N 0.054 120.543 120.570 -0.134 0.000 2.194 418 I HA -0.357 3.813 4.170 -0.000 0.000 0.246 418 I C 2.764 178.859 176.117 -0.037 0.000 1.093 418 I CA 1.385 62.648 61.300 -0.063 0.000 1.355 418 I CB -0.396 37.565 38.000 -0.065 0.000 1.046 418 I HN 0.233 nan 8.210 nan 0.000 0.413 419 A N 0.085 122.838 122.820 -0.111 0.000 1.858 419 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 419 A C 2.244 179.859 177.584 0.052 0.000 1.190 419 A CA 1.537 53.520 52.037 -0.089 0.000 0.617 419 A CB -1.238 17.636 19.000 -0.211 0.000 0.827 419 A HN 0.479 nan 8.150 nan 0.000 0.443 420 Y N -0.509 119.813 120.300 0.036 0.000 2.256 420 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 420 Y C 2.310 178.345 175.900 0.225 0.000 1.155 420 Y CA 0.798 58.961 58.100 0.105 0.000 1.203 420 Y CB -0.329 38.135 38.460 0.007 0.000 0.980 420 Y HN 0.241 nan 8.280 nan 0.000 0.530 421 I N 0.029 120.769 120.570 0.284 0.000 2.163 421 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 421 I C 1.712 177.888 176.117 0.098 0.000 1.081 421 I CA 1.404 62.816 61.300 0.186 0.000 1.353 421 I CB -0.280 37.785 38.000 0.109 0.000 1.054 421 I HN 0.215 nan 8.210 nan 0.000 0.407 422 D N 0.167 120.613 120.400 0.076 0.000 2.162 422 D HA -0.170 4.470 4.640 -0.000 0.000 0.203 422 D C 1.974 178.302 176.300 0.046 0.000 0.967 422 D CA 0.921 54.944 54.000 0.040 0.000 0.840 422 D CB -0.257 40.559 40.800 0.026 0.000 0.972 422 D HN 0.289 nan 8.370 nan 0.000 0.482 423 E N 0.473 120.726 120.200 0.088 0.000 2.338 423 E HA 0.030 4.380 4.350 -0.000 0.000 0.197 423 E C 0.289 176.940 176.600 0.086 0.000 1.007 423 E CA 0.066 56.523 56.400 0.095 0.000 0.849 423 E CB 0.105 29.891 29.700 0.144 0.000 0.774 423 E HN 0.166 nan 8.360 nan 0.000 0.506 424 A N 0.874 123.737 122.820 0.071 0.000 2.388 424 A HA 0.055 4.375 4.320 -0.000 0.000 0.257 424 A C -0.100 177.431 177.584 -0.088 0.000 1.095 424 A CA -0.386 51.632 52.037 -0.032 0.000 0.791 424 A CB 0.467 19.317 19.000 -0.249 0.000 1.029 424 A HN 0.121 nan 8.150 nan 0.000 0.489 425 D N 1.653 121.993 120.400 -0.100 0.000 2.312 425 D HA 0.248 4.888 4.640 -0.000 0.000 0.252 425 D C 0.443 176.654 176.300 -0.147 0.000 1.150 425 D CA -0.181 53.762 54.000 -0.094 0.000 0.870 425 D CB 0.965 41.730 40.800 -0.058 0.000 1.153 425 D HN 0.358 nan 8.370 nan 0.000 0.457 426 L N 3.658 124.807 121.223 -0.124 0.000 2.599 426 L HA 0.056 4.396 4.340 -0.000 0.000 0.230 426 L C 1.722 178.528 176.870 -0.108 0.000 1.141 426 L CA 0.468 55.226 54.840 -0.137 0.000 0.877 426 L CB -0.301 41.685 42.059 -0.122 0.000 1.009 426 L HN 0.397 nan 8.230 nan 0.000 0.447 427 N N -0.481 118.168 118.700 -0.084 0.000 2.446 427 N HA -0.073 4.667 4.740 -0.000 0.000 0.179 427 N C 1.219 176.693 175.510 -0.060 0.000 1.054 427 N CA 0.441 53.455 53.050 -0.061 0.000 0.905 427 N CB 0.174 38.635 38.487 -0.044 0.000 0.973 427 N HN 0.411 nan 8.380 nan 0.000 0.448 428 E N -0.117 120.035 120.200 -0.080 0.000 2.476 428 E HA 0.076 4.426 4.350 -0.000 0.000 0.199 428 E C 1.051 177.591 176.600 -0.100 0.000 1.021 428 E CA 0.108 56.467 56.400 -0.068 0.000 0.907 428 E CB 0.673 30.342 29.700 -0.052 0.000 0.974 428 E HN 0.143 nan 8.360 nan 0.000 0.489 429 V N 0.639 120.458 119.914 -0.159 0.000 2.788 429 V HA 0.047 4.167 4.120 -0.000 0.000 0.241 429 V C 0.822 176.856 176.094 -0.099 0.000 1.083 429 V CA 0.698 62.884 62.300 -0.190 0.000 1.103 429 V CB 0.208 31.831 31.823 -0.333 0.000 0.800 429 V HN 0.143 nan 8.190 nan 0.000 0.476 430 L N 1.288 122.456 121.223 -0.091 0.000 2.387 430 L HA 0.802 5.142 4.340 -0.000 0.000 0.259 430 L C -0.279 176.566 176.870 -0.042 0.000 1.050 430 L CA -0.111 54.693 54.840 -0.061 0.000 0.922 430 L CB 0.759 42.773 42.059 -0.076 0.000 1.280 430 L HN 0.129 nan 8.230 nan 0.000 0.449 431 A N 1.524 124.329 122.820 -0.025 0.000 2.380 431 A HA 0.964 5.284 4.320 -0.000 0.000 0.315 431 A C 0.416 177.996 177.584 -0.007 0.000 1.101 431 A CA -0.042 51.985 52.037 -0.016 0.000 0.771 431 A CB 1.449 20.441 19.000 -0.013 0.000 1.287 431 A HN 0.801 nan 8.150 nan 0.000 0.436 432 G N 0.000 108.797 108.800 -0.006 0.000 5.446 432 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 432 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 432 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 432 G HN 0.000 nan 8.290 nan 0.000 0.925